Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:20:13 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: ./CuAgO2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 21 12 3 876 383 60 Max 22 13 4 881 399 71 Sum 791 455 139 31655 14037 2397 bravais-lattice index = 14 lattice parameter (alat) = 6.3244 a.u. unit-cell volume = 321.6326 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.324393 celldm(2)= 1.000000 celldm(3)= 1.754790 celldm(4)= 0.280297 celldm(5)= 0.280297 celldm(6)= 0.647814 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.647814 0.761798 0.000000 ) a(3) = ( 0.491862 0.227392 1.669028 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.850375 -0.178843 ) b(2) = ( 0.000000 1.312684 -0.178843 ) b(3) = ( 0.000000 0.000000 0.599151 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 1.00) Ag 11.00 107.86820 Ag( 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= 497 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 2) = ( 0.0090909 0.0042028 -0.0032517), wk = 0.0020121 k( 3) = ( 0.0181818 0.0084056 -0.0065034), wk = 0.0020121 k( 4) = ( 0.0272727 0.0126084 -0.0097551), wk = 0.0020121 k( 5) = ( 0.0363636 0.0168112 -0.0130068), wk = 0.0020121 k( 6) = ( 0.0454546 0.0210140 -0.0162584), wk = 0.0020121 k( 7) = ( 0.0545455 0.0252168 -0.0195101), wk = 0.0020121 k( 8) = ( 0.0636364 0.0294196 -0.0227618), wk = 0.0020121 k( 9) = ( 0.0727273 0.0336224 -0.0260135), wk = 0.0020121 k( 10) = ( 0.0818182 0.0378252 -0.0292652), wk = 0.0020121 k( 11) = ( 0.0909091 0.0420280 -0.0325169), wk = 0.0020121 k( 12) = ( 0.1000000 0.0462308 -0.0357686), wk = 0.0020121 k( 13) = ( 0.1090909 0.0504336 -0.0390203), wk = 0.0020121 k( 14) = ( 0.1181818 0.0546364 -0.0422719), wk = 0.0020121 k( 15) = ( 0.1272727 0.0588392 -0.0455236), wk = 0.0020121 k( 16) = ( 0.1363636 0.0630420 -0.0487753), wk = 0.0020121 k( 17) = ( 0.1454545 0.0672448 -0.0520270), wk = 0.0020121 k( 18) = ( 0.1545455 0.0714476 -0.0552787), wk = 0.0020121 k( 19) = ( 0.1636364 0.0756504 -0.0585304), wk = 0.0020121 k( 20) = ( 0.1727273 0.0798532 -0.0617821), wk = 0.0020121 k( 21) = ( 0.1818182 0.0840560 -0.0650338), wk = 0.0020121 k( 22) = ( 0.1909091 0.0882588 -0.0682854), wk = 0.0020121 k( 23) = ( 0.2000000 0.0924616 -0.0715371), wk = 0.0020121 k( 24) = ( 0.2090909 0.0966645 -0.0747888), wk = 0.0020121 k( 25) = ( 0.2181818 0.1008673 -0.0780405), wk = 0.0020121 k( 26) = ( 0.2272727 0.1050701 -0.0812922), wk = 0.0020121 k( 27) = ( 0.2363636 0.1092729 -0.0845439), wk = 0.0020121 k( 28) = ( 0.2454545 0.1134757 -0.0877956), wk = 0.0020121 k( 29) = ( 0.2545455 0.1176785 -0.0910473), wk = 0.0020121 k( 30) = ( 0.2636364 0.1218813 -0.0942989), wk = 0.0020121 k( 31) = ( 0.2727273 0.1260841 -0.0975506), wk = 0.0020121 k( 32) = ( 0.2818182 0.1302869 -0.1008023), wk = 0.0020121 k( 33) = ( 0.2909091 0.1344897 -0.1040540), wk = 0.0020121 k( 34) = ( 0.3000000 0.1386925 -0.1073057), wk = 0.0020121 k( 35) = ( 0.3090909 0.1428953 -0.1105574), wk = 0.0020121 k( 36) = ( 0.3181818 0.1470981 -0.1138091), wk = 0.0020121 k( 37) = ( 0.3272727 0.1513009 -0.1170608), wk = 0.0020121 k( 38) = ( 0.3363636 0.1555037 -0.1203124), wk = 0.0020121 k( 39) = ( 0.3454546 0.1597065 -0.1235641), wk = 0.0020121 k( 40) = ( 0.3545454 0.1639093 -0.1268158), wk = 0.0020121 k( 41) = ( 0.3636364 0.1681121 -0.1300675), wk = 0.0020121 k( 42) = ( 0.3727273 0.1723149 -0.1333192), wk = 0.0020121 k( 43) = ( 0.3818182 0.1765177 -0.1365709), wk = 0.0020121 k( 44) = ( 0.3909091 0.1807205 -0.1398226), wk = 0.0020121 k( 45) = ( 0.4000000 0.1849233 -0.1430743), wk = 0.0020121 k( 46) = ( 0.4090909 0.1891261 -0.1463259), wk = 0.0020121 k( 47) = ( 0.4181818 0.1933289 -0.1495776), wk = 0.0020121 k( 48) = ( 0.4272727 0.1975317 -0.1528293), wk = 0.0020121 k( 49) = ( 0.4363636 0.2017345 -0.1560810), wk = 0.0020121 k( 50) = ( 0.4454546 0.2059373 -0.1593327), wk = 0.0020121 k( 51) = ( 0.4545455 0.2101401 -0.1625844), wk = 0.0020121 k( 52) = ( 0.4636364 0.2143429 -0.1658361), wk = 0.0020121 k( 53) = ( 0.4727273 0.2185457 -0.1690878), wk = 0.0020121 k( 54) = ( 0.4818182 0.2227485 -0.1723394), wk = 0.0020121 k( 55) = ( 0.4909091 0.2269513 -0.1755911), wk = 0.0020121 k( 56) = ( 0.5000000 0.2311541 -0.1788428), wk = 0.0020121 k( 57) = ( 0.5000000 0.2311541 -0.1788428), wk = 0.0020121 k( 58) = ( 0.5029650 0.2325249 -0.1687817), wk = 0.0020121 k( 59) = ( 0.5059300 0.2338956 -0.1587207), wk = 0.0020121 k( 60) = ( 0.5088950 0.2352663 -0.1486596), wk = 0.0020121 k( 61) = ( 0.5118600 0.2366371 -0.1385985), wk = 0.0020121 k( 62) = ( 0.5148250 0.2380078 -0.1285375), wk = 0.0020121 k( 63) = ( 0.5177900 0.2393786 -0.1184764), wk = 0.0020121 k( 64) = ( 0.5207550 0.2407493 -0.1084153), wk = 0.0020121 k( 65) = ( 0.5237200 0.2421201 -0.0983543), wk = 0.0020121 k( 66) = ( 0.5266850 0.2434908 -0.0882932), wk = 0.0020121 k( 67) = ( 0.5296500 0.2448615 -0.0782321), wk = 0.0020121 k( 68) = ( 0.5326149 0.2462323 -0.0681711), wk = 0.0020121 k( 69) = ( 0.5355799 0.2476030 -0.0581100), wk = 0.0020121 k( 70) = ( 0.5355799 0.2476030 -0.0581100), wk = 0.0020121 k( 71) = ( 0.5336033 0.2466892 -0.0481743), wk = 0.0020121 k( 72) = ( 0.5316266 0.2457754 -0.0382386), wk = 0.0020121 k( 73) = ( 0.5296500 0.2448615 -0.0283029), wk = 0.0020121 k( 74) = ( 0.5276733 0.2439477 -0.0183671), wk = 0.0020121 k( 75) = ( 0.5256966 0.2430339 -0.0084314), wk = 0.0020121 k( 76) = ( 0.5237200 0.2421201 0.0015043), wk = 0.0020121 k( 77) = ( 0.5217433 0.2412062 0.0114400), wk = 0.0020121 k( 78) = ( 0.5197666 0.2402924 0.0213757), wk = 0.0020121 k( 79) = ( 0.5177900 0.2393786 0.0313114), wk = 0.0020121 k( 80) = ( 0.5158133 0.2384647 0.0412471), wk = 0.0020121 k( 81) = ( 0.5138366 0.2375509 0.0511828), wk = 0.0020121 k( 82) = ( 0.5118600 0.2366371 0.0611185), wk = 0.0020121 k( 83) = ( 0.5098833 0.2357233 0.0710543), wk = 0.0020121 k( 84) = ( 0.5079067 0.2348094 0.0809900), wk = 0.0020121 k( 85) = ( 0.5059300 0.2338956 0.0909257), wk = 0.0020121 k( 86) = ( 0.5039533 0.2329818 0.1008614), wk = 0.0020121 k( 87) = ( 0.5019767 0.2320680 0.1107971), wk = 0.0020121 k( 88) = ( 0.5000000 0.2311541 0.1207328), wk = 0.0020121 k( 89) = ( 0.5000000 0.2311541 0.1207328), wk = 0.0020121 k( 90) = ( 0.5044639 0.2214984 0.1207328), wk = 0.0020121 k( 91) = ( 0.5089278 0.2118427 0.1207328), wk = 0.0020121 k( 92) = ( 0.5133918 0.2021869 0.1207328), wk = 0.0020121 k( 93) = ( 0.5178557 0.1925312 0.1207328), wk = 0.0020121 k( 94) = ( 0.5223196 0.1828754 0.1207328), wk = 0.0020121 k( 95) = ( 0.5267836 0.1732197 0.1207328), wk = 0.0020121 k( 96) = ( 0.5312475 0.1635640 0.1207328), wk = 0.0020121 k( 97) = ( 0.5357114 0.1539082 0.1207328), wk = 0.0020121 k( 98) = ( 0.5401753 0.1442525 0.1207328), wk = 0.0020121 k( 99) = ( 0.5446393 0.1345968 0.1207328), wk = 0.0020121 k( 100) = ( 0.5491032 0.1249411 0.1207328), wk = 0.0020121 k( 101) = ( 0.5535671 0.1152853 0.1207328), wk = 0.0020121 k( 102) = ( 0.5580310 0.1056296 0.1207328), wk = 0.0020121 k( 103) = ( 0.5624950 0.0959738 0.1207328), wk = 0.0020121 k( 104) = ( 0.5669589 0.0863181 0.1207328), wk = 0.0020121 k( 105) = ( 0.5714228 0.0766624 0.1207328), wk = 0.0020121 k( 106) = ( 0.5758867 0.0670066 0.1207328), wk = 0.0020121 k( 107) = ( 0.5803507 0.0573509 0.1207328), wk = 0.0020121 k( 108) = ( 0.5848146 0.0476952 0.1207328), wk = 0.0020121 k( 109) = ( 0.5892785 0.0380394 0.1207328), wk = 0.0020121 k( 110) = ( 0.5937424 0.0283837 0.1207328), wk = 0.0020121 k( 111) = ( 0.5982064 0.0187280 0.1207328), wk = 0.0020121 k( 112) = ( 0.6026703 0.0090722 0.1207328), wk = 0.0020121 k( 113) = ( 0.6071342 -0.0005835 0.1207328), wk = 0.0020121 k( 114) = ( 0.6115981 -0.0102393 0.1207328), wk = 0.0020121 k( 115) = ( 0.6160621 -0.0198950 0.1207328), wk = 0.0020121 k( 116) = ( 0.6205260 -0.0295507 0.1207328), wk = 0.0020121 k( 117) = ( 0.6249899 -0.0392064 0.1207328), wk = 0.0020121 k( 118) = ( 0.6294538 -0.0488622 0.1207328), wk = 0.0020121 k( 119) = ( 0.6339178 -0.0585179 0.1207328), wk = 0.0020121 k( 120) = ( 0.6383817 -0.0681737 0.1207328), wk = 0.0020121 k( 121) = ( 0.6428456 -0.0778294 0.1207328), wk = 0.0020121 k( 122) = ( 0.6473096 -0.0874851 0.1207328), wk = 0.0020121 k( 123) = ( 0.6517735 -0.0971409 0.1207328), wk = 0.0020121 k( 124) = ( 0.6562374 -0.1067966 0.1207328), wk = 0.0020121 k( 125) = ( 0.6607013 -0.1164523 0.1207328), wk = 0.0020121 k( 126) = ( 0.6651653 -0.1261081 0.1207328), wk = 0.0020121 k( 127) = ( 0.6696292 -0.1357638 0.1207328), wk = 0.0020121 k( 128) = ( 0.6740931 -0.1454195 0.1207328), wk = 0.0020121 k( 129) = ( 0.6785570 -0.1550753 0.1207328), wk = 0.0020121 k( 130) = ( 0.6830210 -0.1647310 0.1207328), wk = 0.0020121 k( 131) = ( 0.6874849 -0.1743867 0.1207328), wk = 0.0020121 k( 132) = ( 0.6919488 -0.1840425 0.1207328), wk = 0.0020121 k( 133) = ( 0.6964127 -0.1936982 0.1207328), wk = 0.0020121 k( 134) = ( 0.7008767 -0.2033539 0.1207328), wk = 0.0020121 k( 135) = ( 0.7053406 -0.2130097 0.1207328), wk = 0.0020121 k( 136) = ( 0.7098045 -0.2226654 0.1207328), wk = 0.0020121 k( 137) = ( 0.2901955 -0.6277099 0.2995756), wk = 0.0020121 k( 138) = ( 0.2857309 -0.6180529 0.2995756), wk = 0.0020121 k( 139) = ( 0.2812664 -0.6083958 0.2995756), wk = 0.0020121 k( 140) = ( 0.2768019 -0.5987387 0.2995756), wk = 0.0020121 k( 141) = ( 0.2723373 -0.5890816 0.2995756), wk = 0.0020121 k( 142) = ( 0.2678727 -0.5794246 0.2995756), wk = 0.0020121 k( 143) = ( 0.2634082 -0.5697675 0.2995756), wk = 0.0020121 k( 144) = ( 0.2589437 -0.5601104 0.2995756), wk = 0.0020121 k( 145) = ( 0.2544791 -0.5504533 0.2995756), wk = 0.0020121 k( 146) = ( 0.2500146 -0.5407963 0.2995756), wk = 0.0020121 k( 147) = ( 0.2455500 -0.5311392 0.2995756), wk = 0.0020121 k( 148) = ( 0.2410855 -0.5214821 0.2995756), wk = 0.0020121 k( 149) = ( 0.2366209 -0.5118250 0.2995756), wk = 0.0020121 k( 150) = ( 0.2321564 -0.5021680 0.2995756), wk = 0.0020121 k( 151) = ( 0.2276918 -0.4925109 0.2995756), wk = 0.0020121 k( 152) = ( 0.2232273 -0.4828538 0.2995756), wk = 0.0020121 k( 153) = ( 0.2187628 -0.4731967 0.2995756), wk = 0.0020121 k( 154) = ( 0.2142982 -0.4635396 0.2995756), wk = 0.0020121 k( 155) = ( 0.2098337 -0.4538826 0.2995756), wk = 0.0020121 k( 156) = ( 0.2053691 -0.4442255 0.2995756), wk = 0.0020121 k( 157) = ( 0.2009046 -0.4345684 0.2995756), wk = 0.0020121 k( 158) = ( 0.1964400 -0.4249113 0.2995756), wk = 0.0020121 k( 159) = ( 0.1919755 -0.4152543 0.2995756), wk = 0.0020121 k( 160) = ( 0.1875109 -0.4055972 0.2995756), wk = 0.0020121 k( 161) = ( 0.1830464 -0.3959401 0.2995756), wk = 0.0020121 k( 162) = ( 0.1785818 -0.3862830 0.2995756), wk = 0.0020121 k( 163) = ( 0.1741173 -0.3766260 0.2995756), wk = 0.0020121 k( 164) = ( 0.1696527 -0.3669689 0.2995756), wk = 0.0020121 k( 165) = ( 0.1651882 -0.3573118 0.2995756), wk = 0.0020121 k( 166) = ( 0.1607236 -0.3476547 0.2995756), wk = 0.0020121 k( 167) = ( 0.1562591 -0.3379977 0.2995756), wk = 0.0020121 k( 168) = ( 0.1517946 -0.3283406 0.2995756), wk = 0.0020121 k( 169) = ( 0.1473300 -0.3186835 0.2995756), wk = 0.0020121 k( 170) = ( 0.1428655 -0.3090264 0.2995756), wk = 0.0020121 k( 171) = ( 0.1384009 -0.2993693 0.2995756), wk = 0.0020121 k( 172) = ( 0.1339364 -0.2897123 0.2995756), wk = 0.0020121 k( 173) = ( 0.1294718 -0.2800552 0.2995756), wk = 0.0020121 k( 174) = ( 0.1250073 -0.2703981 0.2995756), wk = 0.0020121 k( 175) = ( 0.1205427 -0.2607411 0.2995756), wk = 0.0020121 k( 176) = ( 0.1160782 -0.2510840 0.2995756), wk = 0.0020121 k( 177) = ( 0.1116136 -0.2414269 0.2995756), wk = 0.0020121 k( 178) = ( 0.1071491 -0.2317698 0.2995756), wk = 0.0020121 k( 179) = ( 0.1026846 -0.2221128 0.2995756), wk = 0.0020121 k( 180) = ( 0.0982200 -0.2124557 0.2995756), wk = 0.0020121 k( 181) = ( 0.0937555 -0.2027986 0.2995756), wk = 0.0020121 k( 182) = ( 0.0892909 -0.1931415 0.2995756), wk = 0.0020121 k( 183) = ( 0.0848264 -0.1834844 0.2995756), wk = 0.0020121 k( 184) = ( 0.0803618 -0.1738274 0.2995756), wk = 0.0020121 k( 185) = ( 0.0758973 -0.1641703 0.2995756), wk = 0.0020121 k( 186) = ( 0.0714327 -0.1545132 0.2995756), wk = 0.0020121 k( 187) = ( 0.0669682 -0.1448561 0.2995756), wk = 0.0020121 k( 188) = ( 0.0625036 -0.1351991 0.2995756), wk = 0.0020121 k( 189) = ( 0.0580391 -0.1255420 0.2995756), wk = 0.0020121 k( 190) = ( 0.0535745 -0.1158849 0.2995756), wk = 0.0020121 k( 191) = ( 0.0491100 -0.1062278 0.2995756), wk = 0.0020121 k( 192) = ( 0.0446455 -0.0965708 0.2995756), wk = 0.0020121 k( 193) = ( 0.0401809 -0.0869137 0.2995756), wk = 0.0020121 k( 194) = ( 0.0357164 -0.0772566 0.2995756), wk = 0.0020121 k( 195) = ( 0.0312518 -0.0675995 0.2995756), wk = 0.0020121 k( 196) = ( 0.0267873 -0.0579425 0.2995756), wk = 0.0020121 k( 197) = ( 0.0223227 -0.0482854 0.2995756), wk = 0.0020121 k( 198) = ( 0.0178582 -0.0386283 0.2995756), wk = 0.0020121 k( 199) = ( 0.0133936 -0.0289712 0.2995756), wk = 0.0020121 k( 200) = ( 0.0089291 -0.0193141 0.2995756), wk = 0.0020121 k( 201) = ( 0.0044646 -0.0096571 0.2995756), wk = 0.0020121 k( 202) = ( 0.0000000 0.0000000 0.2995756), wk = 0.0020121 k( 203) = ( 0.0000000 0.0000000 0.2995756), wk = 0.0020121 k( 204) = ( 0.0094780 0.0043817 0.2995756), wk = 0.0020121 k( 205) = ( 0.0189559 0.0087635 0.2995756), wk = 0.0020121 k( 206) = ( 0.0284339 0.0131452 0.2995756), wk = 0.0020121 k( 207) = ( 0.0379118 0.0175270 0.2995756), wk = 0.0020121 k( 208) = ( 0.0473898 0.0219087 0.2995756), wk = 0.0020121 k( 209) = ( 0.0568678 0.0262904 0.2995756), wk = 0.0020121 k( 210) = ( 0.0663457 0.0306722 0.2995756), wk = 0.0020121 k( 211) = ( 0.0758237 0.0350539 0.2995756), wk = 0.0020121 k( 212) = ( 0.0853016 0.0394357 0.2995756), wk = 0.0020121 k( 213) = ( 0.0947796 0.0438174 0.2995756), wk = 0.0020121 k( 214) = ( 0.1042576 0.0481991 0.2995756), wk = 0.0020121 k( 215) = ( 0.1137355 0.0525809 0.2995756), wk = 0.0020121 k( 216) = ( 0.1232135 0.0569626 0.2995756), wk = 0.0020121 k( 217) = ( 0.1326914 0.0613444 0.2995756), wk = 0.0020121 k( 218) = ( 0.1421694 0.0657261 0.2995756), wk = 0.0020121 k( 219) = ( 0.1516474 0.0701078 0.2995756), wk = 0.0020121 k( 220) = ( 0.1611253 0.0744896 0.2995756), wk = 0.0020121 k( 221) = ( 0.1706033 0.0788713 0.2995756), wk = 0.0020121 k( 222) = ( 0.1800812 0.0832530 0.2995756), wk = 0.0020121 k( 223) = ( 0.1895592 0.0876348 0.2995756), wk = 0.0020121 k( 224) = ( 0.1990372 0.0920165 0.2995756), wk = 0.0020121 k( 225) = ( 0.2085151 0.0963983 0.2995756), wk = 0.0020121 k( 226) = ( 0.2179931 0.1007800 0.2995756), wk = 0.0020121 k( 227) = ( 0.2274711 0.1051617 0.2995756), wk = 0.0020121 k( 228) = ( 0.2369490 0.1095435 0.2995756), wk = 0.0020121 k( 229) = ( 0.2464270 0.1139252 0.2995756), wk = 0.0020121 k( 230) = ( 0.2559049 0.1183070 0.2995756), wk = 0.0020121 k( 231) = ( 0.2653829 0.1226887 0.2995756), wk = 0.0020121 k( 232) = ( 0.2748609 0.1270704 0.2995756), wk = 0.0020121 k( 233) = ( 0.2843388 0.1314522 0.2995756), wk = 0.0020121 k( 234) = ( 0.2938168 0.1358339 0.2995756), wk = 0.0020121 k( 235) = ( 0.3032947 0.1402157 0.2995756), wk = 0.0020121 k( 236) = ( 0.3127727 0.1445974 0.2995756), wk = 0.0020121 k( 237) = ( 0.3222507 0.1489791 0.2995756), wk = 0.0020121 k( 238) = ( 0.3317286 0.1533609 0.2995756), wk = 0.0020121 k( 239) = ( 0.3412066 0.1577426 0.2995756), wk = 0.0020121 k( 240) = ( 0.3506845 0.1621244 0.2995756), wk = 0.0020121 k( 241) = ( 0.3601625 0.1665061 0.2995756), wk = 0.0020121 k( 242) = ( 0.3696405 0.1708878 0.2995756), wk = 0.0020121 k( 243) = ( 0.3791184 0.1752696 0.2995756), wk = 0.0020121 k( 244) = ( 0.3885964 0.1796513 0.2995756), wk = 0.0020121 k( 245) = ( 0.3980743 0.1840331 0.2995756), wk = 0.0020121 k( 246) = ( 0.4075523 0.1884148 0.2995756), wk = 0.0020121 k( 247) = ( 0.4170303 0.1927965 0.2995756), wk = 0.0020121 k( 248) = ( 0.4265082 0.1971783 0.2995756), wk = 0.0020121 k( 249) = ( 0.4359862 0.2015600 0.2995756), wk = 0.0020121 k( 250) = ( 0.4454641 0.2059417 0.2995756), wk = 0.0020121 k( 251) = ( 0.4549421 0.2103235 0.2995756), wk = 0.0020121 k( 252) = ( 0.4644201 0.2147052 0.2995756), wk = 0.0020121 k( 253) = ( 0.5000000 0.2311541 -0.1788428), wk = 0.0020121 k( 254) = ( 0.5044404 0.2215494 -0.1788428), wk = 0.0020121 k( 255) = ( 0.5088807 0.2119446 -0.1788428), wk = 0.0020121 k( 256) = ( 0.5133211 0.2023398 -0.1788428), wk = 0.0020121 k( 257) = ( 0.5177614 0.1927351 -0.1788428), wk = 0.0020121 k( 258) = ( 0.5222018 0.1831303 -0.1788428), wk = 0.0020121 k( 259) = ( 0.5266422 0.1735256 -0.1788428), wk = 0.0020121 k( 260) = ( 0.5310825 0.1639208 -0.1788428), wk = 0.0020121 k( 261) = ( 0.5355229 0.1543160 -0.1788428), wk = 0.0020121 k( 262) = ( 0.5399632 0.1447113 -0.1788428), wk = 0.0020121 k( 263) = ( 0.5444036 0.1351065 -0.1788428), wk = 0.0020121 k( 264) = ( 0.5488440 0.1255018 -0.1788428), wk = 0.0020121 k( 265) = ( 0.5532843 0.1158970 -0.1788428), wk = 0.0020121 k( 266) = ( 0.5577247 0.1062922 -0.1788428), wk = 0.0020121 k( 267) = ( 0.5621650 0.0966875 -0.1788428), wk = 0.0020121 k( 268) = ( 0.5666054 0.0870827 -0.1788428), wk = 0.0020121 k( 269) = ( 0.5710458 0.0774780 -0.1788428), wk = 0.0020121 k( 270) = ( 0.5754861 0.0678732 -0.1788428), wk = 0.0020121 k( 271) = ( 0.5799265 0.0582684 -0.1788428), wk = 0.0020121 k( 272) = ( 0.5843668 0.0486637 -0.1788428), wk = 0.0020121 k( 273) = ( 0.5888072 0.0390589 -0.1788428), wk = 0.0020121 k( 274) = ( 0.5932476 0.0294542 -0.1788428), wk = 0.0020121 k( 275) = ( 0.5976879 0.0198494 -0.1788428), wk = 0.0020121 k( 276) = ( 0.6021283 0.0102446 -0.1788428), wk = 0.0020121 k( 277) = ( 0.6065686 0.0006399 -0.1788428), wk = 0.0020121 k( 278) = ( 0.6110090 -0.0089649 -0.1788428), wk = 0.0020121 k( 279) = ( 0.6154494 -0.0185696 -0.1788428), wk = 0.0020121 k( 280) = ( 0.6198897 -0.0281744 -0.1788428), wk = 0.0020121 k( 281) = ( 0.6243301 -0.0377792 -0.1788428), wk = 0.0020121 k( 282) = ( 0.6287704 -0.0473839 -0.1788428), wk = 0.0020121 k( 283) = ( 0.6332108 -0.0569887 -0.1788428), wk = 0.0020121 k( 284) = ( 0.6376512 -0.0665934 -0.1788428), wk = 0.0020121 k( 285) = ( 0.6420915 -0.0761982 -0.1788428), wk = 0.0020121 k( 286) = ( 0.6465319 -0.0858030 -0.1788428), wk = 0.0020121 k( 287) = ( 0.6509722 -0.0954077 -0.1788428), wk = 0.0020121 k( 288) = ( 0.6554126 -0.1050125 -0.1788428), wk = 0.0020121 k( 289) = ( 0.6598530 -0.1146173 -0.1788428), wk = 0.0020121 k( 290) = ( 0.6642933 -0.1242220 -0.1788428), wk = 0.0020121 k( 291) = ( 0.6687337 -0.1338268 -0.1788428), wk = 0.0020121 k( 292) = ( 0.6731740 -0.1434316 -0.1788428), wk = 0.0020121 k( 293) = ( 0.6776144 -0.1530363 -0.1788428), wk = 0.0020121 k( 294) = ( 0.6820548 -0.1626411 -0.1788428), wk = 0.0020121 k( 295) = ( 0.6864951 -0.1722458 -0.1788428), wk = 0.0020121 k( 296) = ( 0.6909355 -0.1818506 -0.1788428), wk = 0.0020121 k( 297) = ( 0.3090645 -0.6685248 0.0000000), wk = 0.0020121 k( 298) = ( 0.3046493 -0.6589744 0.0000000), wk = 0.0020121 k( 299) = ( 0.3002341 -0.6494241 0.0000000), wk = 0.0020121 k( 300) = ( 0.2958189 -0.6398737 0.0000000), wk = 0.0020121 k( 301) = ( 0.2914037 -0.6303233 0.0000000), wk = 0.0020121 k( 302) = ( 0.2869885 -0.6207730 0.0000000), wk = 0.0020121 k( 303) = ( 0.2825733 -0.6112226 0.0000000), wk = 0.0020121 k( 304) = ( 0.2781581 -0.6016723 0.0000000), wk = 0.0020121 k( 305) = ( 0.2737429 -0.5921219 0.0000000), wk = 0.0020121 k( 306) = ( 0.2693276 -0.5825716 0.0000000), wk = 0.0020121 k( 307) = ( 0.2649124 -0.5730212 0.0000000), wk = 0.0020121 k( 308) = ( 0.2604972 -0.5634709 0.0000000), wk = 0.0020121 k( 309) = ( 0.2560820 -0.5539205 0.0000000), wk = 0.0020121 k( 310) = ( 0.2516668 -0.5443702 0.0000000), wk = 0.0020121 k( 311) = ( 0.2472516 -0.5348198 0.0000000), wk = 0.0020121 k( 312) = ( 0.2428364 -0.5252695 0.0000000), wk = 0.0020121 k( 313) = ( 0.2384212 -0.5157191 0.0000000), wk = 0.0020121 k( 314) = ( 0.2340060 -0.5061688 0.0000000), wk = 0.0020121 k( 315) = ( 0.2295908 -0.4966184 0.0000000), wk = 0.0020121 k( 316) = ( 0.2251756 -0.4870680 0.0000000), wk = 0.0020121 k( 317) = ( 0.2207604 -0.4775177 0.0000000), wk = 0.0020121 k( 318) = ( 0.2163452 -0.4679673 0.0000000), wk = 0.0020121 k( 319) = ( 0.2119300 -0.4584170 0.0000000), wk = 0.0020121 k( 320) = ( 0.2075147 -0.4488666 0.0000000), wk = 0.0020121 k( 321) = ( 0.2030995 -0.4393163 0.0000000), wk = 0.0020121 k( 322) = ( 0.1986843 -0.4297659 0.0000000), wk = 0.0020121 k( 323) = ( 0.1942691 -0.4202156 0.0000000), wk = 0.0020121 k( 324) = ( 0.1898539 -0.4106652 0.0000000), wk = 0.0020121 k( 325) = ( 0.1854387 -0.4011149 0.0000000), wk = 0.0020121 k( 326) = ( 0.1810235 -0.3915645 0.0000000), wk = 0.0020121 k( 327) = ( 0.1766083 -0.3820141 0.0000000), wk = 0.0020121 k( 328) = ( 0.1721931 -0.3724638 0.0000000), wk = 0.0020121 k( 329) = ( 0.1677779 -0.3629134 0.0000000), wk = 0.0020121 k( 330) = ( 0.1633627 -0.3533631 0.0000000), wk = 0.0020121 k( 331) = ( 0.1589475 -0.3438127 0.0000000), wk = 0.0020121 k( 332) = ( 0.1545323 -0.3342624 0.0000000), wk = 0.0020121 k( 333) = ( 0.1501171 -0.3247120 0.0000000), wk = 0.0020121 k( 334) = ( 0.1457018 -0.3151617 0.0000000), wk = 0.0020121 k( 335) = ( 0.1412866 -0.3056113 0.0000000), wk = 0.0020121 k( 336) = ( 0.1368714 -0.2960610 0.0000000), wk = 0.0020121 k( 337) = ( 0.1324562 -0.2865106 0.0000000), wk = 0.0020121 k( 338) = ( 0.1280410 -0.2769603 0.0000000), wk = 0.0020121 k( 339) = ( 0.1236258 -0.2674099 0.0000000), wk = 0.0020121 k( 340) = ( 0.1192106 -0.2578596 0.0000000), wk = 0.0020121 k( 341) = ( 0.1147954 -0.2483092 0.0000000), wk = 0.0020121 k( 342) = ( 0.1103802 -0.2387588 0.0000000), wk = 0.0020121 k( 343) = ( 0.1059650 -0.2292085 0.0000000), wk = 0.0020121 k( 344) = ( 0.1015498 -0.2196581 0.0000000), wk = 0.0020121 k( 345) = ( 0.0971346 -0.2101078 0.0000000), wk = 0.0020121 k( 346) = ( 0.0927194 -0.2005574 0.0000000), wk = 0.0020121 k( 347) = ( 0.0883041 -0.1910071 0.0000000), wk = 0.0020121 k( 348) = ( 0.0838889 -0.1814567 0.0000000), wk = 0.0020121 k( 349) = ( 0.0794737 -0.1719064 0.0000000), wk = 0.0020121 k( 350) = ( 0.0750585 -0.1623560 0.0000000), wk = 0.0020121 k( 351) = ( 0.0706433 -0.1528057 0.0000000), wk = 0.0020121 k( 352) = ( 0.0662281 -0.1432553 0.0000000), wk = 0.0020121 k( 353) = ( 0.0618129 -0.1337049 0.0000000), wk = 0.0020121 k( 354) = ( 0.0573977 -0.1241546 0.0000000), wk = 0.0020121 k( 355) = ( 0.0529825 -0.1146042 0.0000000), wk = 0.0020121 k( 356) = ( 0.0485673 -0.1050539 0.0000000), wk = 0.0020121 k( 357) = ( 0.0441521 -0.0955035 0.0000000), wk = 0.0020121 k( 358) = ( 0.0397369 -0.0859532 0.0000000), wk = 0.0020121 k( 359) = ( 0.0353217 -0.0764028 0.0000000), wk = 0.0020121 k( 360) = ( 0.0309064 -0.0668525 0.0000000), wk = 0.0020121 k( 361) = ( 0.0264912 -0.0573021 0.0000000), wk = 0.0020121 k( 362) = ( 0.0220760 -0.0477518 0.0000000), wk = 0.0020121 k( 363) = ( 0.0176608 -0.0382014 0.0000000), wk = 0.0020121 k( 364) = ( 0.0132456 -0.0286511 0.0000000), wk = 0.0020121 k( 365) = ( 0.0088304 -0.0191007 0.0000000), wk = 0.0020121 k( 366) = ( 0.0044152 -0.0095504 0.0000000), wk = 0.0020121 k( 367) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 368) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 369) = ( 0.0079365 -0.0067490 -0.0014194), wk = 0.0020121 k( 370) = ( 0.0158730 -0.0134980 -0.0028388), wk = 0.0020121 k( 371) = ( 0.0238095 -0.0202470 -0.0042582), wk = 0.0020121 k( 372) = ( 0.0317460 -0.0269960 -0.0056775), wk = 0.0020121 k( 373) = ( 0.0396825 -0.0337451 -0.0070969), wk = 0.0020121 k( 374) = ( 0.0476191 -0.0404941 -0.0085163), wk = 0.0020121 k( 375) = ( 0.0555556 -0.0472431 -0.0099357), wk = 0.0020121 k( 376) = ( 0.0634921 -0.0539921 -0.0113551), wk = 0.0020121 k( 377) = ( 0.0714286 -0.0607411 -0.0127745), wk = 0.0020121 k( 378) = ( 0.0793651 -0.0674901 -0.0141939), wk = 0.0020121 k( 379) = ( 0.0873016 -0.0742391 -0.0156133), wk = 0.0020121 k( 380) = ( 0.0952381 -0.0809881 -0.0170327), wk = 0.0020121 k( 381) = ( 0.1031746 -0.0877371 -0.0184520), wk = 0.0020121 k( 382) = ( 0.1111111 -0.0944861 -0.0198714), wk = 0.0020121 k( 383) = ( 0.1190476 -0.1012352 -0.0212908), wk = 0.0020121 k( 384) = ( 0.1269841 -0.1079842 -0.0227102), wk = 0.0020121 k( 385) = ( 0.1349206 -0.1147332 -0.0241296), wk = 0.0020121 k( 386) = ( 0.1428571 -0.1214822 -0.0255490), wk = 0.0020121 k( 387) = ( 0.1507937 -0.1282312 -0.0269684), wk = 0.0020121 k( 388) = ( 0.1587302 -0.1349802 -0.0283877), wk = 0.0020121 k( 389) = ( 0.1666667 -0.1417292 -0.0298071), wk = 0.0020121 k( 390) = ( 0.1746032 -0.1484782 -0.0312265), wk = 0.0020121 k( 391) = ( 0.1825397 -0.1552272 -0.0326459), wk = 0.0020121 k( 392) = ( 0.1904762 -0.1619763 -0.0340653), wk = 0.0020121 k( 393) = ( 0.1984127 -0.1687253 -0.0354847), wk = 0.0020121 k( 394) = ( 0.2063492 -0.1754743 -0.0369041), wk = 0.0020121 k( 395) = ( 0.2142857 -0.1822233 -0.0383235), wk = 0.0020121 k( 396) = ( 0.2222222 -0.1889723 -0.0397428), wk = 0.0020121 k( 397) = ( 0.2301587 -0.1957213 -0.0411622), wk = 0.0020121 k( 398) = ( 0.2380952 -0.2024703 -0.0425816), wk = 0.0020121 k( 399) = ( 0.2460317 -0.2092193 -0.0440010), wk = 0.0020121 k( 400) = ( 0.2539683 -0.2159683 -0.0454204), wk = 0.0020121 k( 401) = ( 0.2619048 -0.2227174 -0.0468398), wk = 0.0020121 k( 402) = ( 0.2698413 -0.2294664 -0.0482592), wk = 0.0020121 k( 403) = ( 0.2777778 -0.2362154 -0.0496786), wk = 0.0020121 k( 404) = ( 0.2857143 -0.2429644 -0.0510979), wk = 0.0020121 k( 405) = ( 0.2936508 -0.2497134 -0.0525173), wk = 0.0020121 k( 406) = ( 0.3015873 -0.2564624 -0.0539367), wk = 0.0020121 k( 407) = ( 0.3095238 -0.2632114 -0.0553561), wk = 0.0020121 k( 408) = ( 0.3174603 -0.2699604 -0.0567755), wk = 0.0020121 k( 409) = ( 0.3253968 -0.2767094 -0.0581949), wk = 0.0020121 k( 410) = ( 0.3333333 -0.2834584 -0.0596143), wk = 0.0020121 k( 411) = ( 0.3412698 -0.2902075 -0.0610337), wk = 0.0020121 k( 412) = ( 0.3492063 -0.2969565 -0.0624530), wk = 0.0020121 k( 413) = ( 0.3571429 -0.3037055 -0.0638724), wk = 0.0020121 k( 414) = ( 0.3650794 -0.3104545 -0.0652918), wk = 0.0020121 k( 415) = ( 0.3730159 -0.3172035 -0.0667112), wk = 0.0020121 k( 416) = ( 0.3809524 -0.3239525 -0.0681306), wk = 0.0020121 k( 417) = ( 0.3888889 -0.3307015 -0.0695500), wk = 0.0020121 k( 418) = ( 0.3968254 -0.3374505 -0.0709694), wk = 0.0020121 k( 419) = ( 0.4047619 -0.3441995 -0.0723888), wk = 0.0020121 k( 420) = ( 0.4126984 -0.3509486 -0.0738081), wk = 0.0020121 k( 421) = ( 0.4206349 -0.3576976 -0.0752275), wk = 0.0020121 k( 422) = ( 0.4285714 -0.3644466 -0.0766469), wk = 0.0020121 k( 423) = ( 0.4365079 -0.3711956 -0.0780663), wk = 0.0020121 k( 424) = ( 0.4444444 -0.3779446 -0.0794857), wk = 0.0020121 k( 425) = ( 0.4523810 -0.3846936 -0.0809051), wk = 0.0020121 k( 426) = ( 0.4603175 -0.3914426 -0.0823245), wk = 0.0020121 k( 427) = ( 0.4682540 -0.3981916 -0.0837439), wk = 0.0020121 k( 428) = ( 0.4761905 -0.4049406 -0.0851632), wk = 0.0020121 k( 429) = ( 0.4841270 -0.4116897 -0.0865826), wk = 0.0020121 k( 430) = ( 0.4920635 -0.4184387 -0.0880020), wk = 0.0020121 k( 431) = ( 0.5000000 -0.4251877 -0.0894214), wk = 0.0020121 k( 432) = ( 0.5000000 -0.4251877 0.2101542), wk = 0.0020121 k( 433) = ( 0.4923077 -0.4186463 0.2069211), wk = 0.0020121 k( 434) = ( 0.4846154 -0.4121050 0.2036879), wk = 0.0020121 k( 435) = ( 0.4769231 -0.4055636 0.2004548), wk = 0.0020121 k( 436) = ( 0.4692308 -0.3990223 0.1972217), wk = 0.0020121 k( 437) = ( 0.4615385 -0.3924809 0.1939885), wk = 0.0020121 k( 438) = ( 0.4538462 -0.3859396 0.1907554), wk = 0.0020121 k( 439) = ( 0.4461539 -0.3793982 0.1875222), wk = 0.0020121 k( 440) = ( 0.4384615 -0.3728569 0.1842891), wk = 0.0020121 k( 441) = ( 0.4307692 -0.3663155 0.1810559), wk = 0.0020121 k( 442) = ( 0.4230769 -0.3597742 0.1778228), wk = 0.0020121 k( 443) = ( 0.4153846 -0.3532328 0.1745897), wk = 0.0020121 k( 444) = ( 0.4076923 -0.3466915 0.1713565), wk = 0.0020121 k( 445) = ( 0.4000000 -0.3401501 0.1681234), wk = 0.0020121 k( 446) = ( 0.3923077 -0.3336088 0.1648902), wk = 0.0020121 k( 447) = ( 0.3846154 -0.3270674 0.1616571), wk = 0.0020121 k( 448) = ( 0.3769231 -0.3205261 0.1584240), wk = 0.0020121 k( 449) = ( 0.3692308 -0.3139847 0.1551908), wk = 0.0020121 k( 450) = ( 0.3615385 -0.3074434 0.1519577), wk = 0.0020121 k( 451) = ( 0.3538462 -0.3009020 0.1487245), wk = 0.0020121 k( 452) = ( 0.3461538 -0.2943607 0.1454914), wk = 0.0020121 k( 453) = ( 0.3384615 -0.2878194 0.1422582), wk = 0.0020121 k( 454) = ( 0.3307692 -0.2812780 0.1390251), wk = 0.0020121 k( 455) = ( 0.3230769 -0.2747367 0.1357920), wk = 0.0020121 k( 456) = ( 0.3153846 -0.2681953 0.1325588), wk = 0.0020121 k( 457) = ( 0.3076923 -0.2616540 0.1293257), wk = 0.0020121 k( 458) = ( 0.3000000 -0.2551126 0.1260925), wk = 0.0020121 k( 459) = ( 0.2923077 -0.2485713 0.1228594), wk = 0.0020121 k( 460) = ( 0.2846154 -0.2420299 0.1196263), wk = 0.0020121 k( 461) = ( 0.2769231 -0.2354886 0.1163931), wk = 0.0020121 k( 462) = ( 0.2692308 -0.2289472 0.1131600), wk = 0.0020121 k( 463) = ( 0.2615385 -0.2224059 0.1099268), wk = 0.0020121 k( 464) = ( 0.2538461 -0.2158645 0.1066937), wk = 0.0020121 k( 465) = ( 0.2461539 -0.2093232 0.1034605), wk = 0.0020121 k( 466) = ( 0.2384615 -0.2027818 0.1002274), wk = 0.0020121 k( 467) = ( 0.2307692 -0.1962405 0.0969943), wk = 0.0020121 k( 468) = ( 0.2230769 -0.1896991 0.0937611), wk = 0.0020121 k( 469) = ( 0.2153846 -0.1831578 0.0905280), wk = 0.0020121 k( 470) = ( 0.2076923 -0.1766164 0.0872948), wk = 0.0020121 k( 471) = ( 0.2000000 -0.1700751 0.0840617), wk = 0.0020121 k( 472) = ( 0.1923077 -0.1635337 0.0808285), wk = 0.0020121 k( 473) = ( 0.1846154 -0.1569924 0.0775954), wk = 0.0020121 k( 474) = ( 0.1769231 -0.1504510 0.0743623), wk = 0.0020121 k( 475) = ( 0.1692308 -0.1439097 0.0711291), wk = 0.0020121 k( 476) = ( 0.1615385 -0.1373683 0.0678960), wk = 0.0020121 k( 477) = ( 0.1538461 -0.1308270 0.0646628), wk = 0.0020121 k( 478) = ( 0.1461539 -0.1242856 0.0614297), wk = 0.0020121 k( 479) = ( 0.1384615 -0.1177443 0.0581966), wk = 0.0020121 k( 480) = ( 0.1307692 -0.1112029 0.0549634), wk = 0.0020121 k( 481) = ( 0.1230769 -0.1046616 0.0517303), wk = 0.0020121 k( 482) = ( 0.1153846 -0.0981202 0.0484971), wk = 0.0020121 k( 483) = ( 0.1076923 -0.0915789 0.0452640), wk = 0.0020121 k( 484) = ( 0.1000000 -0.0850375 0.0420308), wk = 0.0020121 k( 485) = ( 0.0923077 -0.0784962 0.0387977), wk = 0.0020121 k( 486) = ( 0.0846154 -0.0719548 0.0355646), wk = 0.0020121 k( 487) = ( 0.0769231 -0.0654135 0.0323314), wk = 0.0020121 k( 488) = ( 0.0692308 -0.0588721 0.0290983), wk = 0.0020121 k( 489) = ( 0.0615385 -0.0523308 0.0258651), wk = 0.0020121 k( 490) = ( 0.0538462 -0.0457894 0.0226320), wk = 0.0020121 k( 491) = ( 0.0461539 -0.0392481 0.0193989), wk = 0.0020121 k( 492) = ( 0.0384615 -0.0327067 0.0161657), wk = 0.0020121 k( 493) = ( 0.0307692 -0.0261654 0.0129326), wk = 0.0020121 k( 494) = ( 0.0230769 -0.0196240 0.0096994), wk = 0.0020121 k( 495) = ( 0.0153846 -0.0130827 0.0064663), wk = 0.0020121 k( 496) = ( 0.0076923 -0.0065414 0.0032331), wk = 0.0020121 k( 497) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 2) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0020121 k( 3) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0020121 k( 4) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0020121 k( 5) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0020121 k( 6) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0020121 k( 7) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0020121 k( 8) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0020121 k( 9) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0020121 k( 10) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0020121 k( 11) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0020121 k( 12) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0020121 k( 13) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0020121 k( 14) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0020121 k( 15) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0020121 k( 16) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0020121 k( 17) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0020121 k( 18) = ( 0.1545455 0.1545455 -0.0000000), wk = 0.0020121 k( 19) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0020121 k( 20) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0020121 k( 21) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0020121 k( 22) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0020121 k( 23) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0020121 k( 24) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0020121 k( 25) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0020121 k( 26) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0020121 k( 27) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0020121 k( 28) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0020121 k( 29) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0020121 k( 30) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0020121 k( 31) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0020121 k( 32) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0020121 k( 33) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0020121 k( 34) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0020121 k( 35) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0020121 k( 36) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0020121 k( 37) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0020121 k( 38) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0020121 k( 39) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0020121 k( 40) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0020121 k( 41) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0020121 k( 42) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0020121 k( 43) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0020121 k( 44) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0020121 k( 45) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0020121 k( 46) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0020121 k( 47) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0020121 k( 48) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0020121 k( 49) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0020121 k( 50) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0020121 k( 51) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0020121 k( 52) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0020121 k( 53) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0020121 k( 54) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0020121 k( 55) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0020121 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020121 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020121 k( 58) = ( 0.5029650 0.5029650 0.0185623), wk = 0.0020121 k( 59) = ( 0.5059300 0.5059300 0.0371245), wk = 0.0020121 k( 60) = ( 0.5088950 0.5088950 0.0556868), wk = 0.0020121 k( 61) = ( 0.5118600 0.5118600 0.0742491), wk = 0.0020121 k( 62) = ( 0.5148250 0.5148250 0.0928113), wk = 0.0020121 k( 63) = ( 0.5177900 0.5177900 0.1113736), wk = 0.0020121 k( 64) = ( 0.5207550 0.5207550 0.1299358), wk = 0.0020121 k( 65) = ( 0.5237200 0.5237200 0.1484981), wk = 0.0020121 k( 66) = ( 0.5266850 0.5266850 0.1670604), wk = 0.0020121 k( 67) = ( 0.5296500 0.5296500 0.1856226), wk = 0.0020121 k( 68) = ( 0.5326149 0.5326149 0.2041849), wk = 0.0020121 k( 69) = ( 0.5355799 0.5355799 0.2227472), wk = 0.0020121 k( 70) = ( 0.5355799 0.5355799 0.2227472), wk = 0.0020121 k( 71) = ( 0.5336033 0.5336033 0.2381501), wk = 0.0020121 k( 72) = ( 0.5316266 0.5316266 0.2535530), wk = 0.0020121 k( 73) = ( 0.5296500 0.5296500 0.2689560), wk = 0.0020121 k( 74) = ( 0.5276733 0.5276733 0.2843589), wk = 0.0020121 k( 75) = ( 0.5256966 0.5256966 0.2997618), wk = 0.0020121 k( 76) = ( 0.5237200 0.5237200 0.3151648), wk = 0.0020121 k( 77) = ( 0.5217433 0.5217433 0.3305677), wk = 0.0020121 k( 78) = ( 0.5197666 0.5197666 0.3459706), wk = 0.0020121 k( 79) = ( 0.5177900 0.5177900 0.3613736), wk = 0.0020121 k( 80) = ( 0.5158133 0.5158133 0.3767765), wk = 0.0020121 k( 81) = ( 0.5138366 0.5138366 0.3921795), wk = 0.0020121 k( 82) = ( 0.5118600 0.5118600 0.4075824), wk = 0.0020121 k( 83) = ( 0.5098833 0.5098833 0.4229853), wk = 0.0020121 k( 84) = ( 0.5079067 0.5079067 0.4383883), wk = 0.0020121 k( 85) = ( 0.5059300 0.5059300 0.4537912), wk = 0.0020121 k( 86) = ( 0.5039533 0.5039533 0.4691941), wk = 0.0020121 k( 87) = ( 0.5019767 0.5019767 0.4845971), wk = 0.0020121 k( 88) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020121 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020121 k( 90) = ( 0.5044639 0.4955361 0.5000000), wk = 0.0020121 k( 91) = ( 0.5089278 0.4910722 0.5000000), wk = 0.0020121 k( 92) = ( 0.5133918 0.4866082 0.5000000), wk = 0.0020121 k( 93) = ( 0.5178557 0.4821443 0.5000000), wk = 0.0020121 k( 94) = ( 0.5223196 0.4776804 0.5000000), wk = 0.0020121 k( 95) = ( 0.5267836 0.4732164 0.5000000), wk = 0.0020121 k( 96) = ( 0.5312475 0.4687525 0.5000000), wk = 0.0020121 k( 97) = ( 0.5357114 0.4642886 0.5000000), wk = 0.0020121 k( 98) = ( 0.5401753 0.4598247 0.5000000), wk = 0.0020121 k( 99) = ( 0.5446393 0.4553607 0.5000000), wk = 0.0020121 k( 100) = ( 0.5491032 0.4508968 0.5000000), wk = 0.0020121 k( 101) = ( 0.5535671 0.4464329 0.5000000), wk = 0.0020121 k( 102) = ( 0.5580310 0.4419690 0.5000000), wk = 0.0020121 k( 103) = ( 0.5624950 0.4375050 0.5000000), wk = 0.0020121 k( 104) = ( 0.5669589 0.4330411 0.5000000), wk = 0.0020121 k( 105) = ( 0.5714228 0.4285772 0.5000000), wk = 0.0020121 k( 106) = ( 0.5758867 0.4241133 0.5000000), wk = 0.0020121 k( 107) = ( 0.5803507 0.4196493 0.5000000), wk = 0.0020121 k( 108) = ( 0.5848146 0.4151854 0.5000000), wk = 0.0020121 k( 109) = ( 0.5892785 0.4107215 0.5000000), wk = 0.0020121 k( 110) = ( 0.5937424 0.4062576 0.5000000), wk = 0.0020121 k( 111) = ( 0.5982064 0.4017936 0.5000000), wk = 0.0020121 k( 112) = ( 0.6026703 0.3973297 0.5000000), wk = 0.0020121 k( 113) = ( 0.6071342 0.3928658 0.5000000), wk = 0.0020121 k( 114) = ( 0.6115981 0.3884018 0.5000000), wk = 0.0020121 k( 115) = ( 0.6160621 0.3839379 0.5000000), wk = 0.0020121 k( 116) = ( 0.6205260 0.3794740 0.5000000), wk = 0.0020121 k( 117) = ( 0.6249899 0.3750101 0.5000000), wk = 0.0020121 k( 118) = ( 0.6294538 0.3705462 0.5000000), wk = 0.0020121 k( 119) = ( 0.6339178 0.3660822 0.5000000), wk = 0.0020121 k( 120) = ( 0.6383817 0.3616183 0.5000000), wk = 0.0020121 k( 121) = ( 0.6428456 0.3571544 0.5000000), wk = 0.0020121 k( 122) = ( 0.6473096 0.3526905 0.5000000), wk = 0.0020121 k( 123) = ( 0.6517735 0.3482265 0.5000000), wk = 0.0020121 k( 124) = ( 0.6562374 0.3437626 0.5000000), wk = 0.0020121 k( 125) = ( 0.6607013 0.3392987 0.5000000), wk = 0.0020121 k( 126) = ( 0.6651653 0.3348347 0.5000000), wk = 0.0020121 k( 127) = ( 0.6696292 0.3303708 0.5000000), wk = 0.0020121 k( 128) = ( 0.6740931 0.3259069 0.5000000), wk = 0.0020121 k( 129) = ( 0.6785570 0.3214430 0.5000000), wk = 0.0020121 k( 130) = ( 0.6830210 0.3169790 0.5000000), wk = 0.0020121 k( 131) = ( 0.6874849 0.3125151 0.5000000), wk = 0.0020121 k( 132) = ( 0.6919488 0.3080512 0.5000000), wk = 0.0020121 k( 133) = ( 0.6964127 0.3035873 0.5000000), wk = 0.0020121 k( 134) = ( 0.7008767 0.2991233 0.5000000), wk = 0.0020121 k( 135) = ( 0.7053406 0.2946594 0.5000000), wk = 0.0020121 k( 136) = ( 0.7098045 0.2901955 0.5000000), wk = 0.0020121 k( 137) = ( 0.2901955 -0.2901955 0.5000000), wk = 0.0020121 k( 138) = ( 0.2857309 -0.2857309 0.5000000), wk = 0.0020121 k( 139) = ( 0.2812664 -0.2812664 0.5000000), wk = 0.0020121 k( 140) = ( 0.2768019 -0.2768018 0.5000000), wk = 0.0020121 k( 141) = ( 0.2723373 -0.2723373 0.5000000), wk = 0.0020121 k( 142) = ( 0.2678727 -0.2678727 0.5000000), wk = 0.0020121 k( 143) = ( 0.2634082 -0.2634082 0.5000000), wk = 0.0020121 k( 144) = ( 0.2589437 -0.2589437 0.5000000), wk = 0.0020121 k( 145) = ( 0.2544791 -0.2544791 0.5000000), wk = 0.0020121 k( 146) = ( 0.2500146 -0.2500146 0.5000000), wk = 0.0020121 k( 147) = ( 0.2455500 -0.2455500 0.5000000), wk = 0.0020121 k( 148) = ( 0.2410855 -0.2410855 0.5000000), wk = 0.0020121 k( 149) = ( 0.2366209 -0.2366209 0.5000000), wk = 0.0020121 k( 150) = ( 0.2321564 -0.2321564 0.5000000), wk = 0.0020121 k( 151) = ( 0.2276918 -0.2276918 0.5000000), wk = 0.0020121 k( 152) = ( 0.2232273 -0.2232273 0.5000000), wk = 0.0020121 k( 153) = ( 0.2187628 -0.2187627 0.5000000), wk = 0.0020121 k( 154) = ( 0.2142982 -0.2142982 0.5000000), wk = 0.0020121 k( 155) = ( 0.2098337 -0.2098337 0.5000000), wk = 0.0020121 k( 156) = ( 0.2053691 -0.2053691 0.5000000), wk = 0.0020121 k( 157) = ( 0.2009046 -0.2009046 0.5000000), wk = 0.0020121 k( 158) = ( 0.1964400 -0.1964400 0.5000000), wk = 0.0020121 k( 159) = ( 0.1919755 -0.1919755 0.5000000), wk = 0.0020121 k( 160) = ( 0.1875109 -0.1875109 0.5000000), wk = 0.0020121 k( 161) = ( 0.1830464 -0.1830464 0.5000000), wk = 0.0020121 k( 162) = ( 0.1785818 -0.1785818 0.5000000), wk = 0.0020121 k( 163) = ( 0.1741173 -0.1741173 0.5000000), wk = 0.0020121 k( 164) = ( 0.1696527 -0.1696527 0.5000000), wk = 0.0020121 k( 165) = ( 0.1651882 -0.1651882 0.5000000), wk = 0.0020121 k( 166) = ( 0.1607236 -0.1607236 0.5000000), wk = 0.0020121 k( 167) = ( 0.1562591 -0.1562591 0.5000000), wk = 0.0020121 k( 168) = ( 0.1517946 -0.1517946 0.5000000), wk = 0.0020121 k( 169) = ( 0.1473300 -0.1473300 0.5000000), wk = 0.0020121 k( 170) = ( 0.1428655 -0.1428655 0.5000000), wk = 0.0020121 k( 171) = ( 0.1384009 -0.1384009 0.5000000), wk = 0.0020121 k( 172) = ( 0.1339364 -0.1339364 0.5000000), wk = 0.0020121 k( 173) = ( 0.1294718 -0.1294718 0.5000000), wk = 0.0020121 k( 174) = ( 0.1250073 -0.1250073 0.5000000), wk = 0.0020121 k( 175) = ( 0.1205427 -0.1205427 0.5000000), wk = 0.0020121 k( 176) = ( 0.1160782 -0.1160782 0.5000000), wk = 0.0020121 k( 177) = ( 0.1116136 -0.1116136 0.5000000), wk = 0.0020121 k( 178) = ( 0.1071491 -0.1071491 0.5000000), wk = 0.0020121 k( 179) = ( 0.1026846 -0.1026846 0.5000000), wk = 0.0020121 k( 180) = ( 0.0982200 -0.0982200 0.5000000), wk = 0.0020121 k( 181) = ( 0.0937555 -0.0937555 0.5000000), wk = 0.0020121 k( 182) = ( 0.0892909 -0.0892909 0.5000000), wk = 0.0020121 k( 183) = ( 0.0848264 -0.0848264 0.5000000), wk = 0.0020121 k( 184) = ( 0.0803618 -0.0803618 0.5000000), wk = 0.0020121 k( 185) = ( 0.0758973 -0.0758973 0.5000000), wk = 0.0020121 k( 186) = ( 0.0714327 -0.0714327 0.5000000), wk = 0.0020121 k( 187) = ( 0.0669682 -0.0669682 0.5000000), wk = 0.0020121 k( 188) = ( 0.0625036 -0.0625036 0.5000000), wk = 0.0020121 k( 189) = ( 0.0580391 -0.0580391 0.5000000), wk = 0.0020121 k( 190) = ( 0.0535745 -0.0535745 0.5000000), wk = 0.0020121 k( 191) = ( 0.0491100 -0.0491100 0.5000000), wk = 0.0020121 k( 192) = ( 0.0446455 -0.0446455 0.5000000), wk = 0.0020121 k( 193) = ( 0.0401809 -0.0401809 0.5000000), wk = 0.0020121 k( 194) = ( 0.0357164 -0.0357164 0.5000000), wk = 0.0020121 k( 195) = ( 0.0312518 -0.0312518 0.5000000), wk = 0.0020121 k( 196) = ( 0.0267873 -0.0267873 0.5000000), wk = 0.0020121 k( 197) = ( 0.0223227 -0.0223227 0.5000000), wk = 0.0020121 k( 198) = ( 0.0178582 -0.0178582 0.5000000), wk = 0.0020121 k( 199) = ( 0.0133936 -0.0133936 0.5000000), wk = 0.0020121 k( 200) = ( 0.0089291 -0.0089291 0.5000000), wk = 0.0020121 k( 201) = ( 0.0044646 -0.0044646 0.5000000), wk = 0.0020121 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020121 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020121 k( 204) = ( 0.0094780 0.0094780 0.5056582), wk = 0.0020121 k( 205) = ( 0.0189559 0.0189559 0.5113164), wk = 0.0020121 k( 206) = ( 0.0284339 0.0284339 0.5169747), wk = 0.0020121 k( 207) = ( 0.0379118 0.0379118 0.5226329), wk = 0.0020121 k( 208) = ( 0.0473898 0.0473898 0.5282911), wk = 0.0020121 k( 209) = ( 0.0568678 0.0568678 0.5339493), wk = 0.0020121 k( 210) = ( 0.0663457 0.0663457 0.5396076), wk = 0.0020121 k( 211) = ( 0.0758237 0.0758237 0.5452658), wk = 0.0020121 k( 212) = ( 0.0853016 0.0853016 0.5509240), wk = 0.0020121 k( 213) = ( 0.0947796 0.0947796 0.5565822), wk = 0.0020121 k( 214) = ( 0.1042576 0.1042576 0.5622404), wk = 0.0020121 k( 215) = ( 0.1137355 0.1137355 0.5678986), wk = 0.0020121 k( 216) = ( 0.1232135 0.1232135 0.5735569), wk = 0.0020121 k( 217) = ( 0.1326914 0.1326914 0.5792151), wk = 0.0020121 k( 218) = ( 0.1421694 0.1421694 0.5848733), wk = 0.0020121 k( 219) = ( 0.1516474 0.1516474 0.5905315), wk = 0.0020121 k( 220) = ( 0.1611253 0.1611253 0.5961898), wk = 0.0020121 k( 221) = ( 0.1706033 0.1706033 0.6018480), wk = 0.0020121 k( 222) = ( 0.1800812 0.1800812 0.6075062), wk = 0.0020121 k( 223) = ( 0.1895592 0.1895592 0.6131644), wk = 0.0020121 k( 224) = ( 0.1990372 0.1990372 0.6188226), wk = 0.0020121 k( 225) = ( 0.2085151 0.2085151 0.6244809), wk = 0.0020121 k( 226) = ( 0.2179931 0.2179931 0.6301391), wk = 0.0020121 k( 227) = ( 0.2274711 0.2274711 0.6357973), wk = 0.0020121 k( 228) = ( 0.2369490 0.2369490 0.6414555), wk = 0.0020121 k( 229) = ( 0.2464270 0.2464270 0.6471138), wk = 0.0020121 k( 230) = ( 0.2559049 0.2559049 0.6527720), wk = 0.0020121 k( 231) = ( 0.2653829 0.2653829 0.6584302), wk = 0.0020121 k( 232) = ( 0.2748609 0.2748609 0.6640884), wk = 0.0020121 k( 233) = ( 0.2843388 0.2843388 0.6697466), wk = 0.0020121 k( 234) = ( 0.2938168 0.2938168 0.6754048), wk = 0.0020121 k( 235) = ( 0.3032947 0.3032947 0.6810631), wk = 0.0020121 k( 236) = ( 0.3127727 0.3127727 0.6867213), wk = 0.0020121 k( 237) = ( 0.3222507 0.3222507 0.6923795), wk = 0.0020121 k( 238) = ( 0.3317286 0.3317286 0.6980377), wk = 0.0020121 k( 239) = ( 0.3412066 0.3412066 0.7036960), wk = 0.0020121 k( 240) = ( 0.3506845 0.3506845 0.7093542), wk = 0.0020121 k( 241) = ( 0.3601625 0.3601625 0.7150124), wk = 0.0020121 k( 242) = ( 0.3696405 0.3696405 0.7206706), wk = 0.0020121 k( 243) = ( 0.3791184 0.3791184 0.7263288), wk = 0.0020121 k( 244) = ( 0.3885964 0.3885964 0.7319871), wk = 0.0020121 k( 245) = ( 0.3980743 0.3980743 0.7376453), wk = 0.0020121 k( 246) = ( 0.4075523 0.4075523 0.7433035), wk = 0.0020121 k( 247) = ( 0.4170303 0.4170303 0.7489617), wk = 0.0020121 k( 248) = ( 0.4265082 0.4265082 0.7546199), wk = 0.0020121 k( 249) = ( 0.4359862 0.4359862 0.7602782), wk = 0.0020121 k( 250) = ( 0.4454641 0.4454641 0.7659364), wk = 0.0020121 k( 251) = ( 0.4549421 0.4549421 0.7715946), wk = 0.0020121 k( 252) = ( 0.4644201 0.4644201 0.7772528), wk = 0.0020121 k( 253) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020121 k( 254) = ( 0.5044404 0.4955596 0.0000000), wk = 0.0020121 k( 255) = ( 0.5088807 0.4911193 -0.0000000), wk = 0.0020121 k( 256) = ( 0.5133211 0.4866789 0.0000000), wk = 0.0020121 k( 257) = ( 0.5177614 0.4822386 0.0000000), wk = 0.0020121 k( 258) = ( 0.5222018 0.4777982 0.0000000), wk = 0.0020121 k( 259) = ( 0.5266422 0.4733578 -0.0000000), wk = 0.0020121 k( 260) = ( 0.5310825 0.4689175 -0.0000000), wk = 0.0020121 k( 261) = ( 0.5355229 0.4644771 0.0000000), wk = 0.0020121 k( 262) = ( 0.5399632 0.4600368 -0.0000000), wk = 0.0020121 k( 263) = ( 0.5444036 0.4555964 -0.0000000), wk = 0.0020121 k( 264) = ( 0.5488440 0.4511560 -0.0000000), wk = 0.0020121 k( 265) = ( 0.5532843 0.4467157 0.0000000), wk = 0.0020121 k( 266) = ( 0.5577247 0.4422753 -0.0000000), wk = 0.0020121 k( 267) = ( 0.5621650 0.4378350 -0.0000000), wk = 0.0020121 k( 268) = ( 0.5666054 0.4333946 0.0000000), wk = 0.0020121 k( 269) = ( 0.5710458 0.4289542 -0.0000000), wk = 0.0020121 k( 270) = ( 0.5754861 0.4245139 -0.0000000), wk = 0.0020121 k( 271) = ( 0.5799265 0.4200735 -0.0000000), wk = 0.0020121 k( 272) = ( 0.5843668 0.4156332 0.0000000), wk = 0.0020121 k( 273) = ( 0.5888072 0.4111928 -0.0000000), wk = 0.0020121 k( 274) = ( 0.5932476 0.4067524 -0.0000000), wk = 0.0020121 k( 275) = ( 0.5976879 0.4023121 -0.0000000), wk = 0.0020121 k( 276) = ( 0.6021283 0.3978717 -0.0000000), wk = 0.0020121 k( 277) = ( 0.6065686 0.3934314 -0.0000000), wk = 0.0020121 k( 278) = ( 0.6110090 0.3889910 -0.0000000), wk = 0.0020121 k( 279) = ( 0.6154494 0.3845506 -0.0000000), wk = 0.0020121 k( 280) = ( 0.6198897 0.3801103 -0.0000000), wk = 0.0020121 k( 281) = ( 0.6243301 0.3756699 -0.0000000), wk = 0.0020121 k( 282) = ( 0.6287704 0.3712296 -0.0000000), wk = 0.0020121 k( 283) = ( 0.6332108 0.3667892 -0.0000000), wk = 0.0020121 k( 284) = ( 0.6376512 0.3623488 -0.0000000), wk = 0.0020121 k( 285) = ( 0.6420915 0.3579085 -0.0000000), wk = 0.0020121 k( 286) = ( 0.6465319 0.3534681 -0.0000000), wk = 0.0020121 k( 287) = ( 0.6509722 0.3490278 -0.0000000), wk = 0.0020121 k( 288) = ( 0.6554126 0.3445874 -0.0000000), wk = 0.0020121 k( 289) = ( 0.6598530 0.3401470 -0.0000000), wk = 0.0020121 k( 290) = ( 0.6642933 0.3357067 -0.0000000), wk = 0.0020121 k( 291) = ( 0.6687337 0.3312663 -0.0000000), wk = 0.0020121 k( 292) = ( 0.6731740 0.3268260 -0.0000000), wk = 0.0020121 k( 293) = ( 0.6776144 0.3223856 -0.0000000), wk = 0.0020121 k( 294) = ( 0.6820548 0.3179452 -0.0000000), wk = 0.0020121 k( 295) = ( 0.6864951 0.3135049 -0.0000000), wk = 0.0020121 k( 296) = ( 0.6909355 0.3090645 -0.0000000), wk = 0.0020121 k( 297) = ( 0.3090645 -0.3090645 -0.0000000), wk = 0.0020121 k( 298) = ( 0.3046493 -0.3046493 0.0000000), wk = 0.0020121 k( 299) = ( 0.3002341 -0.3002341 -0.0000000), wk = 0.0020121 k( 300) = ( 0.2958189 -0.2958189 0.0000000), wk = 0.0020121 k( 301) = ( 0.2914037 -0.2914037 -0.0000000), wk = 0.0020121 k( 302) = ( 0.2869885 -0.2869885 0.0000000), wk = 0.0020121 k( 303) = ( 0.2825733 -0.2825733 -0.0000000), wk = 0.0020121 k( 304) = ( 0.2781581 -0.2781581 0.0000000), wk = 0.0020121 k( 305) = ( 0.2737429 -0.2737429 -0.0000000), wk = 0.0020121 k( 306) = ( 0.2693276 -0.2693276 -0.0000000), wk = 0.0020121 k( 307) = ( 0.2649124 -0.2649124 -0.0000000), wk = 0.0020121 k( 308) = ( 0.2604972 -0.2604972 0.0000000), wk = 0.0020121 k( 309) = ( 0.2560820 -0.2560820 -0.0000000), wk = 0.0020121 k( 310) = ( 0.2516668 -0.2516668 0.0000000), wk = 0.0020121 k( 311) = ( 0.2472516 -0.2472516 -0.0000000), wk = 0.0020121 k( 312) = ( 0.2428364 -0.2428364 -0.0000000), wk = 0.0020121 k( 313) = ( 0.2384212 -0.2384212 -0.0000000), wk = 0.0020121 k( 314) = ( 0.2340060 -0.2340060 -0.0000000), wk = 0.0020121 k( 315) = ( 0.2295908 -0.2295908 -0.0000000), wk = 0.0020121 k( 316) = ( 0.2251756 -0.2251756 -0.0000000), wk = 0.0020121 k( 317) = ( 0.2207604 -0.2207604 -0.0000000), wk = 0.0020121 k( 318) = ( 0.2163452 -0.2163452 -0.0000000), wk = 0.0020121 k( 319) = ( 0.2119300 -0.2119300 -0.0000000), wk = 0.0020121 k( 320) = ( 0.2075147 -0.2075147 -0.0000000), wk = 0.0020121 k( 321) = ( 0.2030995 -0.2030995 -0.0000000), wk = 0.0020121 k( 322) = ( 0.1986843 -0.1986843 -0.0000000), wk = 0.0020121 k( 323) = ( 0.1942691 -0.1942691 -0.0000000), wk = 0.0020121 k( 324) = ( 0.1898539 -0.1898539 -0.0000000), wk = 0.0020121 k( 325) = ( 0.1854387 -0.1854387 -0.0000000), wk = 0.0020121 k( 326) = ( 0.1810235 -0.1810235 -0.0000000), wk = 0.0020121 k( 327) = ( 0.1766083 -0.1766083 -0.0000000), wk = 0.0020121 k( 328) = ( 0.1721931 -0.1721931 0.0000000), wk = 0.0020121 k( 329) = ( 0.1677779 -0.1677779 -0.0000000), wk = 0.0020121 k( 330) = ( 0.1633627 -0.1633627 0.0000000), wk = 0.0020121 k( 331) = ( 0.1589475 -0.1589475 0.0000000), wk = 0.0020121 k( 332) = ( 0.1545323 -0.1545323 -0.0000000), wk = 0.0020121 k( 333) = ( 0.1501171 -0.1501171 -0.0000000), wk = 0.0020121 k( 334) = ( 0.1457018 -0.1457018 -0.0000000), wk = 0.0020121 k( 335) = ( 0.1412866 -0.1412866 0.0000000), wk = 0.0020121 k( 336) = ( 0.1368714 -0.1368714 -0.0000000), wk = 0.0020121 k( 337) = ( 0.1324562 -0.1324562 -0.0000000), wk = 0.0020121 k( 338) = ( 0.1280410 -0.1280410 -0.0000000), wk = 0.0020121 k( 339) = ( 0.1236258 -0.1236258 -0.0000000), wk = 0.0020121 k( 340) = ( 0.1192106 -0.1192106 -0.0000000), wk = 0.0020121 k( 341) = ( 0.1147954 -0.1147954 -0.0000000), wk = 0.0020121 k( 342) = ( 0.1103802 -0.1103802 -0.0000000), wk = 0.0020121 k( 343) = ( 0.1059650 -0.1059650 -0.0000000), wk = 0.0020121 k( 344) = ( 0.1015498 -0.1015498 -0.0000000), wk = 0.0020121 k( 345) = ( 0.0971346 -0.0971346 -0.0000000), wk = 0.0020121 k( 346) = ( 0.0927194 -0.0927194 -0.0000000), wk = 0.0020121 k( 347) = ( 0.0883041 -0.0883041 -0.0000000), wk = 0.0020121 k( 348) = ( 0.0838889 -0.0838889 -0.0000000), wk = 0.0020121 k( 349) = ( 0.0794737 -0.0794737 0.0000000), wk = 0.0020121 k( 350) = ( 0.0750585 -0.0750585 -0.0000000), wk = 0.0020121 k( 351) = ( 0.0706433 -0.0706433 -0.0000000), wk = 0.0020121 k( 352) = ( 0.0662281 -0.0662281 -0.0000000), wk = 0.0020121 k( 353) = ( 0.0618129 -0.0618129 -0.0000000), wk = 0.0020121 k( 354) = ( 0.0573977 -0.0573977 -0.0000000), wk = 0.0020121 k( 355) = ( 0.0529825 -0.0529825 -0.0000000), wk = 0.0020121 k( 356) = ( 0.0485673 -0.0485673 -0.0000000), wk = 0.0020121 k( 357) = ( 0.0441521 -0.0441521 -0.0000000), wk = 0.0020121 k( 358) = ( 0.0397369 -0.0397369 -0.0000000), wk = 0.0020121 k( 359) = ( 0.0353217 -0.0353217 -0.0000000), wk = 0.0020121 k( 360) = ( 0.0309064 -0.0309064 -0.0000000), wk = 0.0020121 k( 361) = ( 0.0264912 -0.0264912 -0.0000000), wk = 0.0020121 k( 362) = ( 0.0220760 -0.0220760 -0.0000000), wk = 0.0020121 k( 363) = ( 0.0176608 -0.0176608 -0.0000000), wk = 0.0020121 k( 364) = ( 0.0132456 -0.0132456 -0.0000000), wk = 0.0020121 k( 365) = ( 0.0088304 -0.0088304 -0.0000000), wk = 0.0020121 k( 366) = ( 0.0044152 -0.0044152 -0.0000000), wk = 0.0020121 k( 367) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 368) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 369) = ( 0.0079365 0.0000000 -0.0000000), wk = 0.0020121 k( 370) = ( 0.0158730 0.0000000 -0.0000000), wk = 0.0020121 k( 371) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0020121 k( 372) = ( 0.0317460 0.0000000 -0.0000000), wk = 0.0020121 k( 373) = ( 0.0396825 0.0000000 -0.0000000), wk = 0.0020121 k( 374) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0020121 k( 375) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0020121 k( 376) = ( 0.0634921 0.0000000 -0.0000000), wk = 0.0020121 k( 377) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0020121 k( 378) = ( 0.0793651 0.0000000 -0.0000000), wk = 0.0020121 k( 379) = ( 0.0873016 0.0000000 -0.0000000), wk = 0.0020121 k( 380) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0020121 k( 381) = ( 0.1031746 0.0000000 -0.0000000), wk = 0.0020121 k( 382) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0020121 k( 383) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0020121 k( 384) = ( 0.1269841 0.0000000 -0.0000000), wk = 0.0020121 k( 385) = ( 0.1349206 0.0000000 -0.0000000), wk = 0.0020121 k( 386) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0020121 k( 387) = ( 0.1507937 0.0000000 -0.0000000), wk = 0.0020121 k( 388) = ( 0.1587302 0.0000000 -0.0000000), wk = 0.0020121 k( 389) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0020121 k( 390) = ( 0.1746032 0.0000000 -0.0000000), wk = 0.0020121 k( 391) = ( 0.1825397 0.0000000 -0.0000000), wk = 0.0020121 k( 392) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0020121 k( 393) = ( 0.1984127 -0.0000000 -0.0000000), wk = 0.0020121 k( 394) = ( 0.2063492 0.0000000 -0.0000000), wk = 0.0020121 k( 395) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0020121 k( 396) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0020121 k( 397) = ( 0.2301587 0.0000000 -0.0000000), wk = 0.0020121 k( 398) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0020121 k( 399) = ( 0.2460317 0.0000000 -0.0000000), wk = 0.0020121 k( 400) = ( 0.2539683 0.0000000 -0.0000000), wk = 0.0020121 k( 401) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0020121 k( 402) = ( 0.2698413 0.0000000 -0.0000000), wk = 0.0020121 k( 403) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0020121 k( 404) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0020121 k( 405) = ( 0.2936508 0.0000000 -0.0000000), wk = 0.0020121 k( 406) = ( 0.3015873 0.0000000 -0.0000000), wk = 0.0020121 k( 407) = ( 0.3095238 0.0000000 -0.0000000), wk = 0.0020121 k( 408) = ( 0.3174603 0.0000000 -0.0000000), wk = 0.0020121 k( 409) = ( 0.3253968 0.0000000 -0.0000000), wk = 0.0020121 k( 410) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0020121 k( 411) = ( 0.3412698 0.0000000 -0.0000000), wk = 0.0020121 k( 412) = ( 0.3492063 0.0000000 -0.0000000), wk = 0.0020121 k( 413) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0020121 k( 414) = ( 0.3650794 0.0000000 -0.0000000), wk = 0.0020121 k( 415) = ( 0.3730159 0.0000000 -0.0000000), wk = 0.0020121 k( 416) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0020121 k( 417) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0020121 k( 418) = ( 0.3968254 -0.0000000 -0.0000000), wk = 0.0020121 k( 419) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0020121 k( 420) = ( 0.4126984 -0.0000000 -0.0000000), wk = 0.0020121 k( 421) = ( 0.4206349 0.0000000 -0.0000000), wk = 0.0020121 k( 422) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0020121 k( 423) = ( 0.4365079 0.0000000 -0.0000000), wk = 0.0020121 k( 424) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0020121 k( 425) = ( 0.4523810 0.0000000 -0.0000000), wk = 0.0020121 k( 426) = ( 0.4603175 0.0000000 -0.0000000), wk = 0.0020121 k( 427) = ( 0.4682540 0.0000000 -0.0000000), wk = 0.0020121 k( 428) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0020121 k( 429) = ( 0.4841270 0.0000000 -0.0000000), wk = 0.0020121 k( 430) = ( 0.4920635 0.0000000 -0.0000000), wk = 0.0020121 k( 431) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020121 k( 432) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020121 k( 433) = ( 0.4923077 0.0000000 0.4923077), wk = 0.0020121 k( 434) = ( 0.4846154 0.0000000 0.4846154), wk = 0.0020121 k( 435) = ( 0.4769231 0.0000000 0.4769231), wk = 0.0020121 k( 436) = ( 0.4692308 0.0000000 0.4692308), wk = 0.0020121 k( 437) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0020121 k( 438) = ( 0.4538462 0.0000000 0.4538462), wk = 0.0020121 k( 439) = ( 0.4461539 0.0000000 0.4461539), wk = 0.0020121 k( 440) = ( 0.4384615 -0.0000000 0.4384615), wk = 0.0020121 k( 441) = ( 0.4307692 0.0000000 0.4307692), wk = 0.0020121 k( 442) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0020121 k( 443) = ( 0.4153846 0.0000000 0.4153846), wk = 0.0020121 k( 444) = ( 0.4076923 0.0000000 0.4076923), wk = 0.0020121 k( 445) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0020121 k( 446) = ( 0.3923077 -0.0000000 0.3923077), wk = 0.0020121 k( 447) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0020121 k( 448) = ( 0.3769231 0.0000000 0.3769231), wk = 0.0020121 k( 449) = ( 0.3692308 0.0000000 0.3692308), wk = 0.0020121 k( 450) = ( 0.3615385 0.0000000 0.3615385), wk = 0.0020121 k( 451) = ( 0.3538462 0.0000000 0.3538462), wk = 0.0020121 k( 452) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0020121 k( 453) = ( 0.3384615 0.0000000 0.3384615), wk = 0.0020121 k( 454) = ( 0.3307692 0.0000000 0.3307692), wk = 0.0020121 k( 455) = ( 0.3230769 0.0000000 0.3230769), wk = 0.0020121 k( 456) = ( 0.3153846 0.0000000 0.3153846), wk = 0.0020121 k( 457) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0020121 k( 458) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0020121 k( 459) = ( 0.2923077 0.0000000 0.2923077), wk = 0.0020121 k( 460) = ( 0.2846154 0.0000000 0.2846154), wk = 0.0020121 k( 461) = ( 0.2769231 0.0000000 0.2769231), wk = 0.0020121 k( 462) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0020121 k( 463) = ( 0.2615385 -0.0000000 0.2615385), wk = 0.0020121 k( 464) = ( 0.2538461 0.0000000 0.2538461), wk = 0.0020121 k( 465) = ( 0.2461539 0.0000000 0.2461539), wk = 0.0020121 k( 466) = ( 0.2384615 0.0000000 0.2384615), wk = 0.0020121 k( 467) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0020121 k( 468) = ( 0.2230769 0.0000000 0.2230769), wk = 0.0020121 k( 469) = ( 0.2153846 -0.0000000 0.2153846), wk = 0.0020121 k( 470) = ( 0.2076923 0.0000000 0.2076923), wk = 0.0020121 k( 471) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0020121 k( 472) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0020121 k( 473) = ( 0.1846154 0.0000000 0.1846154), wk = 0.0020121 k( 474) = ( 0.1769231 0.0000000 0.1769231), wk = 0.0020121 k( 475) = ( 0.1692308 0.0000000 0.1692308), wk = 0.0020121 k( 476) = ( 0.1615385 0.0000000 0.1615385), wk = 0.0020121 k( 477) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0020121 k( 478) = ( 0.1461539 0.0000000 0.1461539), wk = 0.0020121 k( 479) = ( 0.1384615 0.0000000 0.1384615), wk = 0.0020121 k( 480) = ( 0.1307692 -0.0000000 0.1307692), wk = 0.0020121 k( 481) = ( 0.1230769 0.0000000 0.1230769), wk = 0.0020121 k( 482) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0020121 k( 483) = ( 0.1076923 -0.0000000 0.1076923), wk = 0.0020121 k( 484) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0020121 k( 485) = ( 0.0923077 0.0000000 0.0923077), wk = 0.0020121 k( 486) = ( 0.0846154 0.0000000 0.0846154), wk = 0.0020121 k( 487) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0020121 k( 488) = ( 0.0692308 0.0000000 0.0692308), wk = 0.0020121 k( 489) = ( 0.0615385 0.0000000 0.0615385), wk = 0.0020121 k( 490) = ( 0.0538462 0.0000000 0.0538462), wk = 0.0020121 k( 491) = ( 0.0461539 0.0000000 0.0461539), wk = 0.0020121 k( 492) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0020121 k( 493) = ( 0.0307692 0.0000000 0.0307692), wk = 0.0020121 k( 494) = ( 0.0230769 0.0000000 0.0230769), wk = 0.0020121 k( 495) = ( 0.0153846 0.0000000 0.0153846), wk = 0.0020121 k( 496) = ( 0.0076923 0.0000000 0.0076923), wk = 0.0020121 k( 497) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 Dense grid: 31655 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 14037 G-vectors FFT dimensions: ( 27, 27, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 114, 42) NL pseudopotentials 0.08 Mb ( 57, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 880) G-vector shells 0.01 Mb ( 880) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 114, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) The potential is recalculated from file : ./CuAgO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.5 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.3 secs Computing kpt #: 18 total cpu time spent up to now is 5.5 secs Computing kpt #: 19 total cpu time spent up to now is 5.7 secs Computing kpt #: 20 total cpu time spent up to now is 5.9 secs Computing kpt #: 21 total cpu time spent up to now is 6.1 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.4 secs Computing kpt #: 24 total cpu time spent up to now is 6.6 secs Computing kpt #: 25 total cpu time spent up to now is 6.8 secs Computing kpt #: 26 total cpu time spent up to now is 7.0 secs Computing kpt #: 27 total cpu time spent up to now is 7.2 secs Computing kpt #: 28 total cpu time spent up to now is 7.4 secs Computing kpt #: 29 total cpu time spent up to now is 7.6 secs Computing kpt #: 30 total cpu time spent up to now is 7.8 secs Computing kpt #: 31 total cpu time spent up to now is 8.0 secs Computing kpt #: 32 total cpu time spent up to now is 8.2 secs Computing kpt #: 33 total cpu time spent up to now is 8.4 secs Computing kpt #: 34 total cpu time spent up to now is 8.6 secs Computing kpt #: 35 total cpu time spent up to now is 8.8 secs Computing kpt #: 36 total cpu time spent up to now is 9.1 secs Computing kpt #: 37 total cpu time spent up to now is 9.3 secs Computing kpt #: 38 total cpu time spent up to now is 9.5 secs Computing kpt #: 39 total cpu time spent up to now is 9.7 secs Computing kpt #: 40 total cpu time spent up to now is 9.9 secs Computing kpt #: 41 total cpu time spent up to now is 10.1 secs Computing kpt #: 42 total cpu time spent up to now is 10.3 secs Computing kpt #: 43 total cpu time spent up to now is 10.5 secs Computing kpt #: 44 total cpu time spent up to now is 10.7 secs Computing kpt #: 45 total cpu time spent up to now is 10.9 secs Computing kpt #: 46 total cpu time spent up to now is 11.1 secs Computing kpt #: 47 total cpu time spent up to now is 11.3 secs Computing kpt #: 48 total cpu time spent up to now is 11.5 secs Computing kpt #: 49 total cpu time spent up to now is 11.7 secs Computing kpt #: 50 total cpu time spent up to now is 11.9 secs Computing kpt #: 51 total cpu time spent up to now is 12.1 secs Computing kpt #: 52 total cpu time spent up to now is 12.3 secs Computing kpt #: 53 total cpu time spent up to now is 12.5 secs Computing kpt #: 54 total cpu time spent up to now is 12.7 secs Computing kpt #: 55 total cpu time spent up to now is 12.9 secs Computing kpt #: 56 total cpu time spent up to now is 13.1 secs Computing kpt #: 57 total cpu time spent up to now is 13.3 secs Computing kpt #: 58 total cpu time spent up to now is 13.5 secs Computing kpt #: 59 total cpu time spent up to now is 13.7 secs Computing kpt #: 60 total cpu time spent up to now is 13.9 secs Computing kpt #: 61 total cpu time spent up to now is 14.1 secs Computing kpt #: 62 total cpu time spent up to now is 14.3 secs Computing kpt #: 63 total cpu time spent up to now is 14.5 secs Computing kpt #: 64 total cpu time spent up to now is 14.7 secs Computing kpt #: 65 total cpu time spent up to now is 14.9 secs Computing kpt #: 66 total cpu time spent up to now is 15.1 secs Computing kpt #: 67 total cpu time spent up to now is 15.3 secs Computing kpt #: 68 total cpu time spent up to now is 15.5 secs Computing kpt #: 69 total cpu time spent up to now is 15.7 secs Computing kpt #: 70 total cpu time spent up to now is 16.0 secs Computing kpt #: 71 total cpu time spent up to now is 16.2 secs Computing kpt #: 72 total cpu time spent up to now is 16.4 secs Computing kpt #: 73 total cpu time spent up to now is 16.6 secs Computing kpt #: 74 total cpu time spent up to now is 16.8 secs Computing kpt #: 75 total cpu time spent up to now is 17.0 secs Computing kpt #: 76 total cpu time spent up to now is 17.2 secs Computing kpt #: 77 total cpu time spent up to now is 17.4 secs Computing kpt #: 78 total cpu time spent up to now is 17.6 secs Computing kpt #: 79 total cpu time spent up to now is 17.8 secs Computing kpt #: 80 total cpu time spent up to now is 18.1 secs Computing kpt #: 81 total cpu time spent up to now is 18.3 secs Computing kpt #: 82 total cpu time spent up to now is 18.5 secs Computing kpt #: 83 total cpu time spent up to now is 18.7 secs Computing kpt #: 84 total cpu time spent up to now is 18.9 secs Computing kpt #: 85 total cpu time spent up to now is 19.1 secs Computing kpt #: 86 total cpu time spent up to now is 19.3 secs Computing kpt #: 87 total cpu time spent up to now is 19.6 secs Computing kpt #: 88 total cpu time spent up to now is 19.8 secs Computing kpt #: 89 total cpu time spent up to now is 20.0 secs Computing kpt #: 90 total cpu time spent up to now is 20.2 secs Computing kpt #: 91 total cpu time spent up to now is 20.4 secs Computing kpt #: 92 total cpu time spent up to now is 20.6 secs Computing kpt #: 93 total cpu time spent up to now is 20.8 secs Computing kpt #: 94 total cpu time spent up to now is 21.0 secs Computing kpt #: 95 total cpu time spent up to now is 21.2 secs Computing kpt #: 96 total cpu time spent up to now is 21.4 secs Computing kpt #: 97 total cpu time spent up to now is 21.6 secs Computing kpt #: 98 total cpu time spent up to now is 21.8 secs Computing kpt #: 99 total cpu time spent up to now is 22.0 secs Computing kpt #: 100 total cpu time spent up to now is 22.2 secs Computing kpt #: 101 total cpu time spent up to now is 22.5 secs Computing kpt #: 102 total cpu time spent up to now is 22.7 secs Computing kpt #: 103 total cpu time spent up to now is 22.9 secs Computing kpt #: 104 total cpu time spent up to now is 23.1 secs Computing kpt #: 105 total cpu time spent up to now is 23.3 secs Computing kpt #: 106 total cpu time spent up to now is 23.5 secs Computing kpt #: 107 total cpu time spent up to now is 23.7 secs Computing kpt #: 108 total cpu time spent up to now is 23.9 secs Computing kpt #: 109 total cpu time spent up to now is 24.1 secs Computing kpt #: 110 total cpu time spent up to now is 24.3 secs Computing kpt #: 111 total cpu time spent up to now is 24.5 secs Computing kpt #: 112 total cpu time spent up to now is 24.7 secs Computing kpt #: 113 total cpu time spent up to now is 24.9 secs Computing kpt #: 114 total cpu time spent up to now is 25.1 secs Computing kpt #: 115 total cpu time spent up to now is 25.3 secs Computing kpt #: 116 total cpu time spent up to now is 25.5 secs Computing kpt #: 117 total cpu time spent up to now is 25.7 secs Computing kpt #: 118 total cpu time spent up to now is 25.9 secs Computing kpt #: 119 total cpu time spent up to now is 26.1 secs Computing kpt #: 120 total cpu time spent up to now is 26.3 secs Computing kpt #: 121 total cpu time spent up to now is 26.6 secs Computing kpt #: 122 total cpu time spent up to now is 26.8 secs Computing kpt #: 123 total cpu time spent up to now is 27.0 secs Computing kpt #: 124 total cpu time spent up to now is 27.2 secs Computing kpt #: 125 total cpu time spent up to now is 27.4 secs Computing kpt #: 126 total cpu time spent up to now is 27.6 secs Computing kpt #: 127 total cpu time spent up to now is 27.8 secs Computing kpt #: 128 total cpu time spent up to now is 28.0 secs Computing kpt #: 129 total cpu time spent up to now is 28.2 secs Computing kpt #: 130 total cpu time spent up to now is 28.4 secs Computing kpt #: 131 total cpu time spent up to now is 28.6 secs Computing kpt #: 132 total cpu time spent up to now is 28.9 secs Computing kpt #: 133 total cpu time spent up to now is 29.1 secs Computing kpt #: 134 total cpu time spent up to now is 29.3 secs Computing kpt #: 135 total cpu time spent up to now is 29.5 secs Computing kpt #: 136 total cpu time spent up to now is 29.7 secs Computing kpt #: 137 total cpu time spent up to now is 29.9 secs Computing kpt #: 138 total cpu time spent up to now is 30.1 secs Computing kpt #: 139 total cpu time spent up to now is 30.4 secs Computing kpt #: 140 total cpu time spent up to now is 30.6 secs Computing kpt #: 141 total cpu time spent up to now is 30.8 secs Computing kpt #: 142 total cpu time spent up to now is 31.0 secs Computing kpt #: 143 total cpu time spent up to now is 31.2 secs Computing kpt #: 144 total cpu time spent up to now is 31.4 secs Computing kpt #: 145 total cpu time spent up to now is 31.7 secs Computing kpt #: 146 total cpu time spent up to now is 31.9 secs Computing kpt #: 147 total cpu time spent up to now is 32.1 secs Computing kpt #: 148 total cpu time spent up to now is 32.3 secs Computing kpt #: 149 total cpu time spent up to now is 32.5 secs Computing kpt #: 150 total cpu time spent up to now is 32.7 secs Computing kpt #: 151 total cpu time spent up to now is 32.9 secs Computing kpt #: 152 total cpu time spent up to now is 33.1 secs Computing kpt #: 153 total cpu time spent up to now is 33.3 secs Computing kpt #: 154 total cpu time spent up to now is 33.5 secs Computing kpt #: 155 total cpu time spent up to now is 33.7 secs Computing kpt #: 156 total cpu time spent up to now is 33.9 secs Computing kpt #: 157 total cpu time spent up to now is 34.2 secs Computing kpt #: 158 total cpu time spent up to now is 34.4 secs Computing kpt #: 159 total cpu time spent up to now is 34.6 secs Computing kpt #: 160 total cpu time spent up to now is 34.8 secs Computing kpt #: 161 total cpu time spent up to now is 35.0 secs Computing kpt #: 162 total cpu time spent up to now is 35.3 secs Computing kpt #: 163 total cpu time spent up to now is 35.6 secs Computing kpt #: 164 total cpu time spent up to now is 35.8 secs Computing kpt #: 165 total cpu time spent up to now is 36.0 secs Computing kpt #: 166 total cpu time spent up to now is 36.3 secs Computing kpt #: 167 total cpu time spent up to now is 36.5 secs Computing kpt #: 168 total cpu time spent up to now is 36.8 secs Computing kpt #: 169 total cpu time spent up to now is 37.1 secs Computing kpt #: 170 total cpu time spent up to now is 37.3 secs Computing kpt #: 171 total cpu time spent up to now is 37.6 secs Computing kpt #: 172 total cpu time spent up to now is 37.8 secs Computing kpt #: 173 total cpu time spent up to now is 38.1 secs Computing kpt #: 174 total cpu time spent up to now is 38.3 secs Computing kpt #: 175 total cpu time spent up to now is 38.6 secs Computing kpt #: 176 total cpu time spent up to now is 38.9 secs Computing kpt #: 177 total cpu time spent up to now is 39.1 secs Computing kpt #: 178 total cpu time spent up to now is 39.4 secs Computing kpt #: 179 total cpu time spent up to now is 39.7 secs Computing kpt #: 180 total cpu time spent up to now is 39.9 secs Computing kpt #: 181 total cpu time spent up to now is 40.2 secs Computing kpt #: 182 total cpu time spent up to now is 40.5 secs Computing kpt #: 183 total cpu time spent up to now is 40.7 secs Computing kpt #: 184 total cpu time spent up to now is 41.0 secs Computing kpt #: 185 total cpu time spent up to now is 41.2 secs Computing kpt #: 186 total cpu time spent up to now is 41.5 secs Computing kpt #: 187 total cpu time spent up to now is 41.7 secs Computing kpt #: 188 total cpu time spent up to now is 41.9 secs Computing kpt #: 189 total cpu time spent up to now is 42.2 secs Computing kpt #: 190 total cpu time spent up to now is 42.4 secs Computing kpt #: 191 total cpu time spent up to now is 42.6 secs Computing kpt #: 192 total cpu time spent up to now is 42.9 secs Computing kpt #: 193 total cpu time spent up to now is 43.1 secs Computing kpt #: 194 total cpu time spent up to now is 43.3 secs Computing kpt #: 195 total cpu time spent up to now is 43.5 secs Computing kpt #: 196 total cpu time spent up to now is 43.8 secs Computing kpt #: 197 total cpu time spent up to now is 44.0 secs Computing kpt #: 198 total cpu time spent up to now is 44.2 secs Computing kpt #: 199 total cpu time spent up to now is 44.5 secs Computing kpt #: 200 total cpu time spent up to now is 44.7 secs Computing kpt #: 201 total cpu time spent up to now is 44.9 secs Computing kpt #: 202 total cpu time spent up to now is 45.1 secs Computing kpt #: 203 total cpu time spent up to now is 45.4 secs Computing kpt #: 204 total cpu time spent up to now is 45.6 secs Computing kpt #: 205 total cpu time spent up to now is 45.8 secs Computing kpt #: 206 total cpu time spent up to now is 46.1 secs Computing kpt #: 207 total cpu time spent up to now is 46.3 secs Computing kpt #: 208 total cpu time spent up to now is 46.5 secs Computing kpt #: 209 total cpu time spent up to now is 46.8 secs Computing kpt #: 210 total cpu time spent up to now is 47.0 secs Computing kpt #: 211 total cpu time spent up to now is 47.2 secs Computing kpt #: 212 total cpu time spent up to now is 47.5 secs Computing kpt #: 213 total cpu time spent up to now is 47.7 secs Computing kpt #: 214 total cpu time spent up to now is 48.0 secs Computing kpt #: 215 total cpu time spent up to now is 48.2 secs Computing kpt #: 216 total cpu time spent up to now is 48.5 secs Computing kpt #: 217 total cpu time spent up to now is 48.7 secs Computing kpt #: 218 total cpu time spent up to now is 49.0 secs Computing kpt #: 219 total cpu time spent up to now is 49.2 secs Computing kpt #: 220 total cpu time spent up to now is 49.4 secs Computing kpt #: 221 total cpu time spent up to now is 49.7 secs Computing kpt #: 222 total cpu time spent up to now is 49.9 secs Computing kpt #: 223 total cpu time spent up to now is 50.2 secs Computing kpt #: 224 total cpu time spent up to now is 50.4 secs Computing kpt #: 225 total cpu time spent up to now is 50.7 secs Computing kpt #: 226 total cpu time spent up to now is 50.9 secs Computing kpt #: 227 total cpu time spent up to now is 51.2 secs Computing kpt #: 228 total cpu time spent up to now is 51.4 secs Computing kpt #: 229 total cpu time spent up to now is 51.6 secs Computing kpt #: 230 total cpu time spent up to now is 51.8 secs Computing kpt #: 231 total cpu time spent up to now is 52.1 secs Computing kpt #: 232 total cpu time spent up to now is 52.3 secs Computing kpt #: 233 total cpu time spent up to now is 52.5 secs Computing kpt #: 234 total cpu time spent up to now is 52.7 secs Computing kpt #: 235 total cpu time spent up to now is 52.9 secs Computing kpt #: 236 total cpu time spent up to now is 53.1 secs Computing kpt #: 237 total cpu time spent up to now is 53.3 secs Computing kpt #: 238 total cpu time spent up to now is 53.5 secs Computing kpt #: 239 total cpu time spent up to now is 53.7 secs Computing kpt #: 240 total cpu time spent up to now is 53.9 secs Computing kpt #: 241 total cpu time spent up to now is 54.1 secs Computing kpt #: 242 total cpu time spent up to now is 54.3 secs Computing kpt #: 243 total cpu time spent up to now is 54.5 secs Computing kpt #: 244 total cpu time spent up to now is 54.7 secs Computing kpt #: 245 total cpu time spent up to now is 54.9 secs Computing kpt #: 246 total cpu time spent up to now is 55.1 secs Computing kpt #: 247 total cpu time spent up to now is 55.3 secs Computing kpt #: 248 total cpu time spent up to now is 55.5 secs Computing kpt #: 249 total cpu time spent up to now is 55.8 secs Computing kpt #: 250 total cpu time spent up to now is 56.0 secs Computing kpt #: 251 total cpu time spent up to now is 56.2 secs Computing kpt #: 252 total cpu time spent up to now is 56.4 secs Computing kpt #: 253 total cpu time spent up to now is 56.6 secs Computing kpt #: 254 total cpu time spent up to now is 56.8 secs Computing kpt #: 255 total cpu time spent up to now is 57.0 secs Computing kpt #: 256 total cpu time spent up to now is 57.2 secs Computing kpt #: 257 total cpu time spent up to now is 57.4 secs Computing kpt #: 258 total cpu time spent up to now is 57.6 secs Computing kpt #: 259 total cpu time spent up to now is 57.8 secs Computing kpt #: 260 total cpu time spent up to now is 58.1 secs Computing kpt #: 261 total cpu time spent up to now is 58.3 secs Computing kpt #: 262 total cpu time spent up to now is 58.5 secs Computing kpt #: 263 total cpu time spent up to now is 58.7 secs Computing kpt #: 264 total cpu time spent up to now is 58.9 secs Computing kpt #: 265 total cpu time spent up to now is 59.1 secs Computing kpt #: 266 total cpu time spent up to now is 59.3 secs Computing kpt #: 267 total cpu time spent up to now is 59.6 secs Computing kpt #: 268 total cpu time spent up to now is 59.7 secs Computing kpt #: 269 total cpu time spent up to now is 59.9 secs Computing kpt #: 270 total cpu time spent up to now is 60.1 secs Computing kpt #: 271 total cpu time spent up to now is 60.3 secs Computing kpt #: 272 total cpu time spent up to now is 60.5 secs Computing kpt #: 273 total cpu time spent up to now is 60.7 secs Computing kpt #: 274 total cpu time spent up to now is 60.9 secs Computing kpt #: 275 total cpu time spent up to now is 61.1 secs Computing kpt #: 276 total cpu time spent up to now is 61.3 secs Computing kpt #: 277 total cpu time spent up to now is 61.5 secs Computing kpt #: 278 total cpu time spent up to now is 61.7 secs Computing kpt #: 279 total cpu time spent up to now is 61.9 secs Computing kpt #: 280 total cpu time spent up to now is 62.1 secs Computing kpt #: 281 total cpu time spent up to now is 62.3 secs Computing kpt #: 282 total cpu time spent up to now is 62.5 secs Computing kpt #: 283 total cpu time spent up to now is 62.7 secs Computing kpt #: 284 total cpu time spent up to now is 62.9 secs Computing kpt #: 285 total cpu time spent up to now is 63.1 secs Computing kpt #: 286 total cpu time spent up to now is 63.3 secs Computing kpt #: 287 total cpu time spent up to now is 63.5 secs Computing kpt #: 288 total cpu time spent up to now is 63.8 secs Computing kpt #: 289 total cpu time spent up to now is 64.0 secs Computing kpt #: 290 total cpu time spent up to now is 64.3 secs Computing kpt #: 291 total cpu time spent up to now is 64.5 secs Computing kpt #: 292 total cpu time spent up to now is 64.7 secs Computing kpt #: 293 total cpu time spent up to now is 65.0 secs Computing kpt #: 294 total cpu time spent up to now is 65.2 secs Computing kpt #: 295 total cpu time spent up to now is 65.4 secs Computing kpt #: 296 total cpu time spent up to now is 65.6 secs Computing kpt #: 297 total cpu time spent up to now is 65.8 secs Computing kpt #: 298 total cpu time spent up to now is 66.0 secs Computing kpt #: 299 total cpu time spent up to now is 66.2 secs Computing kpt #: 300 total cpu time spent up to now is 66.4 secs Computing kpt #: 301 total cpu time spent up to now is 66.6 secs Computing kpt #: 302 total cpu time spent up to now is 66.8 secs Computing kpt #: 303 total cpu time spent up to now is 67.0 secs Computing kpt #: 304 total cpu time spent up to now is 67.3 secs Computing kpt #: 305 total cpu time spent up to now is 67.5 secs Computing kpt #: 306 total cpu time spent up to now is 67.8 secs Computing kpt #: 307 total cpu time spent up to now is 68.0 secs Computing kpt #: 308 total cpu time spent up to now is 68.2 secs Computing kpt #: 309 total cpu time spent up to now is 68.5 secs Computing kpt #: 310 total cpu time spent up to now is 68.7 secs Computing kpt #: 311 total cpu time spent up to now is 69.0 secs Computing kpt #: 312 total cpu time spent up to now is 69.2 secs Computing kpt #: 313 total cpu time spent up to now is 69.5 secs Computing kpt #: 314 total cpu time spent up to now is 69.7 secs Computing kpt #: 315 total cpu time spent up to now is 69.9 secs Computing kpt #: 316 total cpu time spent up to now is 70.1 secs Computing kpt #: 317 total cpu time spent up to now is 70.3 secs Computing kpt #: 318 total cpu time spent up to now is 70.6 secs Computing kpt #: 319 total cpu time spent up to now is 70.8 secs Computing kpt #: 320 total cpu time spent up to now is 71.1 secs Computing kpt #: 321 total cpu time spent up to now is 71.3 secs Computing kpt #: 322 total cpu time spent up to now is 71.5 secs Computing kpt #: 323 total cpu time spent up to now is 71.7 secs Computing kpt #: 324 total cpu time spent up to now is 71.9 secs Computing kpt #: 325 total cpu time spent up to now is 72.1 secs Computing kpt #: 326 total cpu time spent up to now is 72.3 secs Computing kpt #: 327 total cpu time spent up to now is 72.4 secs Computing kpt #: 328 total cpu time spent up to now is 72.6 secs Computing kpt #: 329 total cpu time spent up to now is 72.8 secs Computing kpt #: 330 total cpu time spent up to now is 73.0 secs Computing kpt #: 331 total cpu time spent up to now is 73.2 secs Computing kpt #: 332 total cpu time spent up to now is 73.4 secs Computing kpt #: 333 total cpu time spent up to now is 73.6 secs Computing kpt #: 334 total cpu time spent up to now is 73.7 secs Computing kpt #: 335 total cpu time spent up to now is 73.9 secs Computing kpt #: 336 total cpu time spent up to now is 74.1 secs Computing kpt #: 337 total cpu time spent up to now is 74.3 secs Computing kpt #: 338 total cpu time spent up to now is 74.4 secs Computing kpt #: 339 total cpu time spent up to now is 74.6 secs Computing kpt #: 340 total cpu time spent up to now is 74.8 secs Computing kpt #: 341 total cpu time spent up to now is 74.9 secs Computing kpt #: 342 total cpu time spent up to now is 75.1 secs Computing kpt #: 343 total cpu time spent up to now is 75.2 secs Computing kpt #: 344 total cpu time spent up to now is 75.4 secs Computing kpt #: 345 total cpu time spent up to now is 75.6 secs Computing kpt #: 346 total cpu time spent up to now is 75.7 secs Computing kpt #: 347 total cpu time spent up to now is 75.9 secs Computing kpt #: 348 total cpu time spent up to now is 76.0 secs Computing kpt #: 349 total cpu time spent up to now is 76.2 secs Computing kpt #: 350 total cpu time spent up to now is 76.3 secs Computing kpt #: 351 total cpu time spent up to now is 76.5 secs Computing kpt #: 352 total cpu time spent up to now is 76.6 secs Computing kpt #: 353 total cpu time spent up to now is 76.8 secs Computing kpt #: 354 total cpu time spent up to now is 76.9 secs Computing kpt #: 355 total cpu time spent up to now is 77.1 secs Computing kpt #: 356 total cpu time spent up to now is 77.2 secs Computing kpt #: 357 total cpu time spent up to now is 77.4 secs Computing kpt #: 358 total cpu time spent up to now is 77.5 secs Computing kpt #: 359 total cpu time spent up to now is 77.7 secs Computing kpt #: 360 total cpu time spent up to now is 77.8 secs Computing kpt #: 361 total cpu time spent up to now is 78.0 secs Computing kpt #: 362 total cpu time spent up to now is 78.2 secs Computing kpt #: 363 total cpu time spent up to now is 78.3 secs Computing kpt #: 364 total cpu time spent up to now is 78.5 secs Computing kpt #: 365 total cpu time spent up to now is 78.6 secs Computing kpt #: 366 total cpu time spent up to now is 78.8 secs Computing kpt #: 367 total cpu time spent up to now is 79.0 secs Computing kpt #: 368 total cpu time spent up to now is 79.1 secs Computing kpt #: 369 total cpu time spent up to now is 79.3 secs Computing kpt #: 370 total cpu time spent up to now is 79.5 secs Computing kpt #: 371 total cpu time spent up to now is 79.6 secs Computing kpt #: 372 total cpu time spent up to now is 79.8 secs Computing kpt #: 373 total cpu time spent up to now is 79.9 secs Computing kpt #: 374 total cpu time spent up to now is 80.1 secs Computing kpt #: 375 total cpu time spent up to now is 80.2 secs Computing kpt #: 376 total cpu time spent up to now is 80.4 secs Computing kpt #: 377 total cpu time spent up to now is 80.6 secs Computing kpt #: 378 total cpu time spent up to now is 80.7 secs Computing kpt #: 379 total cpu time spent up to now is 80.9 secs Computing kpt #: 380 total cpu time spent up to now is 81.0 secs Computing kpt #: 381 total cpu time spent up to now is 81.2 secs Computing kpt #: 382 total cpu time spent up to now is 81.3 secs Computing kpt #: 383 total cpu time spent up to now is 81.5 secs Computing kpt #: 384 total cpu time spent up to now is 81.7 secs Computing kpt #: 385 total cpu time spent up to now is 81.8 secs Computing kpt #: 386 total cpu time spent up to now is 82.0 secs Computing kpt #: 387 total cpu time spent up to now is 82.1 secs Computing kpt #: 388 total cpu time spent up to now is 82.3 secs Computing kpt #: 389 total cpu time spent up to now is 82.5 secs Computing kpt #: 390 total cpu time spent up to now is 82.7 secs Computing kpt #: 391 total cpu time spent up to now is 82.8 secs Computing kpt #: 392 total cpu time spent up to now is 83.0 secs Computing kpt #: 393 total cpu time spent up to now is 83.2 secs Computing kpt #: 394 total cpu time spent up to now is 83.4 secs Computing kpt #: 395 total cpu time spent up to now is 83.5 secs Computing kpt #: 396 total cpu time spent up to now is 83.7 secs Computing kpt #: 397 total cpu time spent up to now is 83.9 secs Computing kpt #: 398 total cpu time spent up to now is 84.1 secs Computing kpt #: 399 total cpu time spent up to now is 84.3 secs Computing kpt #: 400 total cpu time spent up to now is 84.5 secs Computing kpt #: 401 total cpu time spent up to now is 84.6 secs Computing kpt #: 402 total cpu time spent up to now is 84.8 secs Computing kpt #: 403 total cpu time spent up to now is 85.0 secs Computing kpt #: 404 total cpu time spent up to now is 85.2 secs Computing kpt #: 405 total cpu time spent up to now is 85.4 secs Computing kpt #: 406 total cpu time spent up to now is 85.6 secs Computing kpt #: 407 total cpu time spent up to now is 85.8 secs Computing kpt #: 408 total cpu time spent up to now is 86.0 secs Computing kpt #: 409 total cpu time spent up to now is 86.2 secs Computing kpt #: 410 total cpu time spent up to now is 86.4 secs Computing kpt #: 411 total cpu time spent up to now is 86.6 secs Computing kpt #: 412 total cpu time spent up to now is 86.8 secs Computing kpt #: 413 total cpu time spent up to now is 87.0 secs Computing kpt #: 414 total cpu time spent up to now is 87.2 secs Computing kpt #: 415 total cpu time spent up to now is 87.4 secs Computing kpt #: 416 total cpu time spent up to now is 87.6 secs Computing kpt #: 417 total cpu time spent up to now is 87.8 secs Computing kpt #: 418 total cpu time spent up to now is 88.0 secs Computing kpt #: 419 total cpu time spent up to now is 88.2 secs Computing kpt #: 420 total cpu time spent up to now is 88.4 secs Computing kpt #: 421 total cpu time spent up to now is 88.6 secs Computing kpt #: 422 total cpu time spent up to now is 88.9 secs Computing kpt #: 423 total cpu time spent up to now is 89.1 secs Computing kpt #: 424 total cpu time spent up to now is 89.3 secs Computing kpt #: 425 total cpu time spent up to now is 89.5 secs Computing kpt #: 426 total cpu time spent up to now is 89.7 secs Computing kpt #: 427 total cpu time spent up to now is 89.9 secs Computing kpt #: 428 total cpu time spent up to now is 90.1 secs Computing kpt #: 429 total cpu time spent up to now is 90.3 secs Computing kpt #: 430 total cpu time spent up to now is 90.5 secs Computing kpt #: 431 total cpu time spent up to now is 90.7 secs Computing kpt #: 432 total cpu time spent up to now is 90.9 secs Computing kpt #: 433 total cpu time spent up to now is 91.1 secs Computing kpt #: 434 total cpu time spent up to now is 91.3 secs Computing kpt #: 435 total cpu time spent up to now is 91.5 secs Computing kpt #: 436 total cpu time spent up to now is 91.7 secs Computing kpt #: 437 total cpu time spent up to now is 91.9 secs Computing kpt #: 438 total cpu time spent up to now is 92.1 secs Computing kpt #: 439 total cpu time spent up to now is 92.3 secs Computing kpt #: 440 total cpu time spent up to now is 92.6 secs Computing kpt #: 441 total cpu time spent up to now is 92.8 secs Computing kpt #: 442 total cpu time spent up to now is 93.0 secs Computing kpt #: 443 total cpu time spent up to now is 93.2 secs Computing kpt #: 444 total cpu time spent up to now is 93.4 secs Computing kpt #: 445 total cpu time spent up to now is 93.6 secs Computing kpt #: 446 total cpu time spent up to now is 93.8 secs Computing kpt #: 447 total cpu time spent up to now is 94.1 secs Computing kpt #: 448 total cpu time spent up to now is 94.3 secs Computing kpt #: 449 total cpu time spent up to now is 94.5 secs Computing kpt #: 450 total cpu time spent up to now is 94.8 secs Computing kpt #: 451 total cpu time spent up to now is 95.0 secs Computing kpt #: 452 total cpu time spent up to now is 95.3 secs Computing kpt #: 453 total cpu time spent up to now is 95.5 secs Computing kpt #: 454 total cpu time spent up to now is 95.8 secs Computing kpt #: 455 total cpu time spent up to now is 96.0 secs Computing kpt #: 456 total cpu time spent up to now is 96.2 secs Computing kpt #: 457 total cpu time spent up to now is 96.5 secs Computing kpt #: 458 total cpu time spent up to now is 96.7 secs Computing kpt #: 459 total cpu time spent up to now is 96.9 secs Computing kpt #: 460 total cpu time spent up to now is 97.1 secs Computing kpt #: 461 total cpu time spent up to now is 97.3 secs Computing kpt #: 462 total cpu time spent up to now is 97.5 secs Computing kpt #: 463 total cpu time spent up to now is 97.7 secs Computing kpt #: 464 total cpu time spent up to now is 97.9 secs Computing kpt #: 465 total cpu time spent up to now is 98.1 secs Computing kpt #: 466 total cpu time spent up to now is 98.3 secs Computing kpt #: 467 total cpu time spent up to now is 98.5 secs Computing kpt #: 468 total cpu time spent up to now is 98.7 secs Computing kpt #: 469 total cpu time spent up to now is 98.9 secs Computing kpt #: 470 total cpu time spent up to now is 99.1 secs Computing kpt #: 471 total cpu time spent up to now is 99.2 secs Computing kpt #: 472 total cpu time spent up to now is 99.4 secs Computing kpt #: 473 total cpu time spent up to now is 99.6 secs Computing kpt #: 474 total cpu time spent up to now is 99.8 secs Computing kpt #: 475 total cpu time spent up to now is 100.0 secs Computing kpt #: 476 total cpu time spent up to now is 100.1 secs Computing kpt #: 477 total cpu time spent up to now is 100.3 secs Computing kpt #: 478 total cpu time spent up to now is 100.5 secs Computing kpt #: 479 total cpu time spent up to now is 100.7 secs Computing kpt #: 480 total cpu time spent up to now is 100.8 secs Computing kpt #: 481 total cpu time spent up to now is 101.0 secs Computing kpt #: 482 total cpu time spent up to now is 101.2 secs Computing kpt #: 483 total cpu time spent up to now is 101.4 secs Computing kpt #: 484 total cpu time spent up to now is 101.5 secs Computing kpt #: 485 total cpu time spent up to now is 101.7 secs Computing kpt #: 486 total cpu time spent up to now is 101.8 secs Computing kpt #: 487 total cpu time spent up to now is 102.0 secs Computing kpt #: 488 total cpu time spent up to now is 102.2 secs Computing kpt #: 489 total cpu time spent up to now is 102.3 secs Computing kpt #: 490 total cpu time spent up to now is 102.5 secs Computing kpt #: 491 total cpu time spent up to now is 102.6 secs Computing kpt #: 492 total cpu time spent up to now is 102.8 secs Computing kpt #: 493 total cpu time spent up to now is 103.0 secs Computing kpt #: 494 total cpu time spent up to now is 103.1 secs Computing kpt #: 495 total cpu time spent up to now is 103.3 secs Computing kpt #: 496 total cpu time spent up to now is 103.5 secs Computing kpt #: 497 total cpu time spent up to now is 103.6 secs ethr = 2.94E-08, avg # of iterations = 17.6 total cpu time spent up to now is 103.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1757 PWs) bands (ev): -10.1960 -10.1960 -8.9048 -8.9048 1.8143 1.8143 3.2275 3.2275 3.9275 3.9275 4.6974 4.6974 5.2377 5.2377 5.8758 5.8758 6.1313 6.1313 6.2103 6.2103 6.2184 6.2184 6.3451 6.3451 6.6103 6.6103 6.6768 6.6768 6.8494 6.8494 7.1344 7.1344 8.5988 8.5988 10.2037 10.2037 10.3138 10.3138 14.7748 14.7748 16.7800 16.7800 k = 0.0091 0.0042-0.0033 ( 1757 PWs) bands (ev): -10.1957 -10.1957 -8.9048 -8.9048 1.8151 1.8151 3.2276 3.2276 3.9273 3.9273 4.6969 4.6969 5.2367 5.2367 5.8740 5.8740 6.1306 6.1306 6.1969 6.1969 6.2307 6.2307 6.3448 6.3448 6.6069 6.6069 6.6805 6.6805 6.8504 6.8504 7.1355 7.1355 8.5995 8.5995 10.2036 10.2036 10.3157 10.3157 14.7772 14.7772 16.7810 16.7810 k = 0.0182 0.0084-0.0065 ( 1754 PWs) bands (ev): -10.1947 -10.1947 -8.9047 -8.9047 1.8176 1.8176 3.2277 3.2277 3.9268 3.9268 4.6951 4.6951 5.2339 5.2339 5.8687 5.8687 6.1281 6.1281 6.1793 6.1793 6.2450 6.2450 6.3440 6.3440 6.5984 6.5984 6.6900 6.6900 6.8531 6.8531 7.1389 7.1389 8.6018 8.6018 10.2031 10.2031 10.3218 10.3218 14.7843 14.7843 16.7838 16.7838 k = 0.0273 0.0126-0.0098 ( 1753 PWs) bands (ev): -10.1930 -10.1930 -8.9046 -8.9046 1.8217 1.8217 3.2279 3.2279 3.9258 3.9258 4.6922 4.6922 5.2290 5.2290 5.8601 5.8601 6.1221 6.1221 6.1617 6.1617 6.2579 6.2579 6.3435 6.3435 6.5874 6.5874 6.7029 6.7029 6.8575 6.8575 7.1445 7.1445 8.6054 8.6054 10.2025 10.2025 10.3320 10.3320 14.7961 14.7961 16.7886 16.7886 k = 0.0364 0.0168-0.0130 ( 1749 PWs) bands (ev): -10.1906 -10.1906 -8.9044 -8.9044 1.8275 1.8275 3.2281 3.2281 3.9244 3.9244 4.6882 4.6882 5.2221 5.2221 5.8490 5.8490 6.1084 6.1084 6.1484 6.1484 6.2681 6.2681 6.3446 6.3446 6.5756 6.5756 6.7177 6.7177 6.8629 6.8629 7.1521 7.1521 8.6100 8.6100 10.2014 10.2014 10.3465 10.3465 14.8124 14.8124 16.7953 16.7953 k = 0.0455 0.0210-0.0163 ( 1751 PWs) bands (ev): -10.1875 -10.1875 -8.9041 -8.9041 1.8349 1.8349 3.2284 3.2284 3.9226 3.9226 4.6829 4.6829 5.2131 5.2131 5.8358 5.8358 6.0849 6.0849 6.1411 6.1411 6.2747 6.2747 6.3484 6.3484 6.5642 6.5642 6.7338 6.7338 6.8692 6.8692 7.1617 7.1617 8.6152 8.6152 10.2000 10.2000 10.3654 10.3654 14.8331 14.8331 16.8040 16.8040 k = 0.0545 0.0252-0.0195 ( 1751 PWs) bands (ev): -10.1838 -10.1838 -8.9038 -8.9038 1.8438 1.8438 3.2288 3.2288 3.9205 3.9205 4.6763 4.6763 5.2018 5.2018 5.8211 5.8211 6.0550 6.0550 6.1370 6.1370 6.2771 6.2771 6.3556 6.3556 6.5538 6.5538 6.7506 6.7506 6.8759 6.8759 7.1732 7.1732 8.6205 8.6205 10.1982 10.1982 10.3891 10.3891 14.8579 14.8579 16.8149 16.8149 k = 0.0636 0.0294-0.0228 ( 1749 PWs) bands (ev): -10.1795 -10.1795 -8.9034 -8.9034 1.8542 1.8542 3.2292 3.2292 3.9180 3.9180 4.6686 4.6686 5.1881 5.1881 5.8053 5.8053 6.0213 6.0213 6.1338 6.1338 6.2762 6.2762 6.3650 6.3650 6.5450 6.5450 6.7680 6.7680 6.8830 6.8830 7.1862 7.1862 8.6255 8.6255 10.1961 10.1961 10.4175 10.4175 14.8865 14.8865 16.8280 16.8280 k = 0.0727 0.0336-0.0260 ( 1749 PWs) bands (ev): -10.1745 -10.1745 -8.9030 -8.9030 1.8661 1.8661 3.2297 3.2297 3.9151 3.9151 4.6595 4.6595 5.1719 5.1719 5.7884 5.7884 5.9854 5.9854 6.1308 6.1308 6.2731 6.2731 6.3754 6.3754 6.5381 6.5381 6.7855 6.7855 6.8901 6.8901 7.2008 7.2008 8.6297 8.6297 10.1937 10.1937 10.4510 10.4510 14.9187 14.9187 16.8434 16.8434 k = 0.0818 0.0378-0.0293 ( 1749 PWs) bands (ev): -10.1689 -10.1689 -8.9025 -8.9025 1.8793 1.8793 3.2302 3.2302 3.9119 3.9119 4.6491 4.6491 5.1531 5.1531 5.7704 5.7704 5.9490 5.9490 6.1275 6.1275 6.2691 6.2691 6.3855 6.3855 6.5335 6.5335 6.8029 6.8029 6.8974 6.8974 7.2166 7.2166 8.6328 8.6328 10.1910 10.1910 10.4894 10.4894 14.9540 14.9540 16.8612 16.8612 k = 0.0909 0.0420-0.0325 ( 1753 PWs) bands (ev): -10.1626 -10.1626 -8.9020 -8.9020 1.8939 1.8939 3.2307 3.2307 3.9083 3.9083 4.6374 4.6374 5.1315 5.1315 5.7503 5.7503 5.9136 5.9136 6.1237 6.1237 6.2647 6.2647 6.3945 6.3945 6.5313 6.5313 6.8201 6.8201 6.9047 6.9047 7.2335 7.2335 8.6345 8.6345 10.1880 10.1880 10.5328 10.5328 14.9921 14.9921 16.8816 16.8816 k = 0.1000 0.0462-0.0358 ( 1750 PWs) bands (ev): -10.1558 -10.1558 -8.9014 -8.9014 1.9096 1.9096 3.2312 3.2312 3.9045 3.9045 4.6243 4.6243 5.1074 5.1074 5.7276 5.7276 5.8816 5.8816 6.1193 6.1193 6.2607 6.2607 6.4019 6.4019 6.5314 6.5314 6.8367 6.8367 6.9122 6.9122 7.2514 7.2514 8.6346 8.6346 10.1849 10.1849 10.5812 10.5812 15.0326 15.0326 16.9048 16.9048 k = 0.1091 0.0504-0.0390 ( 1750 PWs) bands (ev): -10.1485 -10.1485 -8.9007 -8.9007 1.9265 1.9265 3.2317 3.2317 3.9003 3.9003 4.6098 4.6098 5.0805 5.0805 5.7011 5.7011 5.8545 5.8545 6.1141 6.1141 6.2573 6.2573 6.4077 6.4077 6.5337 6.5337 6.8524 6.8524 6.9201 6.9201 7.2699 7.2699 8.6330 8.6330 10.1816 10.1816 10.6343 10.6343 15.0752 15.0752 16.9308 16.9308 k = 0.1182 0.0546-0.0423 ( 1748 PWs) bands (ev): -10.1405 -10.1405 -8.9000 -8.9000 1.9443 1.9443 3.2323 3.2323 3.8958 3.8958 4.5938 4.5938 5.0510 5.0510 5.6706 5.6706 5.8335 5.8335 6.1081 6.1081 6.2547 6.2547 6.4120 6.4120 6.5378 6.5378 6.8670 6.8670 6.9283 6.9283 7.2890 7.2890 8.6297 8.6297 10.1783 10.1783 10.6921 10.6921 15.1192 15.1192 16.9599 16.9599 k = 0.1273 0.0588-0.0455 ( 1749 PWs) bands (ev): -10.1321 -10.1321 -8.8992 -8.8992 1.9631 1.9631 3.2328 3.2328 3.8910 3.8910 4.5764 4.5764 5.0189 5.0189 5.6370 5.6370 5.8181 5.8181 6.1014 6.1014 6.2529 6.2529 6.4150 6.4150 6.5431 6.5431 6.8802 6.8802 6.9371 6.9371 7.3082 7.3082 8.6249 8.6249 10.1749 10.1749 10.7541 10.7541 15.1644 15.1644 16.9922 16.9922 k = 0.1364 0.0630-0.0488 ( 1746 PWs) bands (ev): -10.1232 -10.1232 -8.8984 -8.8984 1.9826 1.9826 3.2333 3.2333 3.8859 3.8859 4.5575 4.5575 4.9846 4.9846 5.6018 5.6018 5.8077 5.8077 6.0942 6.0942 6.2522 6.2522 6.4170 6.4170 6.5491 6.5491 6.8920 6.8920 6.9466 6.9466 7.3276 7.3276 8.6188 8.6188 10.1715 10.1715 10.8202 10.8202 15.2104 15.2104 17.0278 17.0278 k = 0.1455 0.0672-0.0520 ( 1746 PWs) bands (ev): -10.1137 -10.1137 -8.8974 -8.8974 2.0027 2.0027 3.2338 3.2338 3.8805 3.8805 4.5370 4.5370 4.9483 4.9483 5.5664 5.5664 5.8009 5.8009 6.0866 6.0866 6.2524 6.2524 6.4184 6.4184 6.5556 6.5556 6.9023 6.9023 6.9565 6.9565 7.3467 7.3467 8.6115 8.6115 10.1682 10.1682 10.8900 10.8900 15.2566 15.2566 17.0668 17.0668 k = 0.1545 0.0714-0.0553 ( 1748 PWs) bands (ev): -10.1039 -10.1039 -8.8965 -8.8965 2.0233 2.0233 3.2343 3.2343 3.8746 3.8746 4.5151 4.5151 4.9104 4.9104 5.5318 5.5318 5.7970 5.7970 6.0788 6.0788 6.2535 6.2535 6.4194 6.4194 6.5621 6.5621 6.9112 6.9112 6.9667 6.9667 7.3653 7.3653 8.6034 8.6034 10.1649 10.1649 10.9631 10.9631 15.3027 15.3027 17.1092 17.1092 k = 0.1636 0.0757-0.0585 ( 1748 PWs) bands (ev): -10.0936 -10.0936 -8.8954 -8.8954 2.0442 2.0442 3.2346 3.2346 3.8684 3.8684 4.4916 4.4916 4.8712 4.8712 5.4989 5.4989 5.7954 5.7954 6.0710 6.0710 6.2554 6.2554 6.4200 6.4200 6.5685 6.5685 6.9190 6.9190 6.9769 6.9769 7.3833 7.3833 8.5948 8.5948 10.1618 10.1618 11.0391 11.0391 15.3484 15.3484 17.1552 17.1552 k = 0.1727 0.0799-0.0618 ( 1746 PWs) bands (ev): -10.0830 -10.0830 -8.8943 -8.8943 2.0652 2.0652 3.2350 3.2350 3.8616 3.8616 4.4666 4.4666 4.8313 4.8313 5.4682 5.4682 5.7957 5.7957 6.0634 6.0634 6.2579 6.2579 6.4205 6.4205 6.5746 6.5746 6.9259 6.9259 6.9867 6.9867 7.4004 7.4004 8.5861 8.5861 10.1589 10.1589 11.1178 11.1178 15.3934 15.3934 17.2047 17.2047 k = 0.1818 0.0841-0.0650 ( 1748 PWs) bands (ev): -10.0720 -10.0720 -8.8932 -8.8932 2.0862 2.0862 3.2353 3.2353 3.8542 3.8542 4.4403 4.4403 4.7913 4.7913 5.4399 5.4399 5.7975 5.7975 6.0562 6.0562 6.2609 6.2609 6.4208 6.4208 6.5803 6.5803 6.9322 6.9322 6.9959 6.9959 7.4163 7.4163 8.5774 8.5774 10.1563 10.1563 11.1987 11.1987 15.4374 15.4374 17.2576 17.2576 k = 0.1909 0.0883-0.0683 ( 1744 PWs) bands (ev): -10.0607 -10.0607 -8.8920 -8.8920 2.1070 2.1070 3.2354 3.2354 3.8462 3.8462 4.4126 4.4126 4.7516 4.7516 5.4143 5.4143 5.8005 5.8005 6.0495 6.0495 6.2644 6.2644 6.4211 6.4211 6.5856 6.5856 6.9379 6.9379 7.0043 7.0043 7.4309 7.4309 8.5693 8.5693 10.1539 10.1539 11.2816 11.2816 15.4801 15.4801 17.3138 17.3138 k = 0.2000 0.0925-0.0715 ( 1740 PWs) bands (ev): -10.0491 -10.0491 -8.8907 -8.8907 2.1274 2.1274 3.2355 3.2355 3.8373 3.8373 4.3837 4.3837 4.7130 4.7130 5.3913 5.3913 5.8046 5.8046 6.0434 6.0434 6.2683 6.2683 6.4214 6.4214 6.5905 6.5905 6.9431 6.9431 7.0118 7.0118 7.4440 7.4440 8.5619 8.5619 10.1518 10.1518 11.3660 11.3660 15.5214 15.5214 17.3731 17.3731 k = 0.2091 0.0967-0.0748 ( 1740 PWs) bands (ev): -10.0373 -10.0373 -8.8893 -8.8893 2.1472 2.1472 3.2355 3.2355 3.8274 3.8274 4.3539 4.3539 4.6757 4.6757 5.3710 5.3710 5.8095 5.8095 6.0380 6.0380 6.2724 6.2724 6.4216 6.4216 6.5949 6.5949 6.9479 6.9479 7.0182 7.0182 7.4555 7.4555 8.5554 8.5554 10.1501 10.1501 11.4518 11.4518 15.5610 15.5610 17.4351 17.4351 k = 0.2182 0.1009-0.0780 ( 1743 PWs) bands (ev): -10.0253 -10.0253 -8.8880 -8.8880 2.1663 2.1663 3.2354 3.2354 3.8162 3.8162 4.3234 4.3234 4.6404 4.6404 5.3534 5.3534 5.8150 5.8150 6.0335 6.0335 6.2767 6.2767 6.4217 6.4217 6.5988 6.5988 6.9523 6.9523 7.0235 7.0235 7.4652 7.4652 8.5501 8.5501 10.1487 10.1487 11.5385 11.5385 15.5990 15.5990 17.4996 17.4996 k = 0.2273 0.1051-0.0813 ( 1741 PWs) bands (ev): -10.0131 -10.0131 -8.8865 -8.8865 2.1844 2.1844 3.2352 3.2352 3.8036 3.8036 4.2925 4.2925 4.6073 4.6073 5.3384 5.3384 5.8212 5.8212 6.0297 6.0297 6.2813 6.2813 6.4218 6.4218 6.6023 6.6023 6.9563 6.9563 7.0276 7.0276 7.4732 7.4732 8.5461 8.5461 10.1477 10.1477 11.6261 11.6261 15.6350 15.6350 17.5658 17.5658 k = 0.2364 0.1093-0.0845 ( 1739 PWs) bands (ev): -10.0008 -10.0008 -8.8850 -8.8850 2.2014 2.2014 3.2348 3.2348 3.7895 3.7895 4.2618 4.2618 4.5767 4.5767 5.3261 5.3261 5.8279 5.8279 6.0270 6.0270 6.2859 6.2859 6.4219 6.4219 6.6054 6.6054 6.9598 6.9598 7.0305 7.0305 7.4794 7.4794 8.5436 8.5436 10.1471 10.1471 11.7141 11.7141 15.6692 15.6692 17.6332 17.6332 k = 0.2455 0.1135-0.0878 ( 1742 PWs) bands (ev): -9.9884 -9.9884 -8.8835 -8.8835 2.2171 2.2171 3.2344 3.2344 3.7736 3.7736 4.2314 4.2314 4.5488 4.5488 5.3164 5.3164 5.8348 5.8348 6.0251 6.0251 6.2905 6.2905 6.4219 6.4219 6.6080 6.6080 6.9627 6.9627 7.0322 7.0322 7.4839 7.4839 8.5426 8.5426 10.1470 10.1470 11.8025 11.8025 15.7012 15.7012 17.7007 17.7007 k = 0.2545 0.1177-0.0910 ( 1737 PWs) bands (ev): -9.9760 -9.9760 -8.8819 -8.8819 2.2314 2.2314 3.2338 3.2338 3.7560 3.7560 4.2019 4.2019 4.5237 4.5237 5.3092 5.3092 5.8421 5.8421 6.0243 6.0243 6.2953 6.2953 6.4218 6.4218 6.6103 6.6103 6.9651 6.9651 7.0328 7.0328 7.4869 7.4869 8.5430 8.5430 10.1472 10.1472 11.8911 11.8911 15.7309 15.7309 17.7663 17.7663 k = 0.2636 0.1219-0.0943 ( 1739 PWs) bands (ev): -9.9635 -9.9635 -8.8802 -8.8802 2.2441 2.2441 3.2331 3.2331 3.7365 3.7365 4.1734 4.1734 4.5015 4.5015 5.3046 5.3046 5.8495 5.8495 6.0244 6.0244 6.2999 6.2999 6.4216 6.4216 6.6121 6.6121 6.9667 6.9667 7.0321 7.0321 7.4885 7.4885 8.5449 8.5449 10.1479 10.1479 11.9795 11.9795 15.7582 15.7582 17.8262 17.8262 k = 0.2727 0.1261-0.0976 ( 1744 PWs) bands (ev): -9.9512 -9.9512 -8.8786 -8.8786 2.2551 2.2551 3.2323 3.2323 3.7153 3.7153 4.1461 4.1461 4.4821 4.4821 5.3025 5.3025 5.8571 5.8571 6.0255 6.0255 6.3044 6.3044 6.4212 6.4212 6.6135 6.6135 6.9674 6.9674 7.0304 7.0304 7.4888 7.4888 8.5480 8.5480 10.1489 10.1489 12.0678 12.0678 15.7828 15.7828 17.8711 17.8711 k = 0.2818 0.1303-0.1008 ( 1744 PWs) bands (ev): -9.9388 -9.9388 -8.8769 -8.8769 2.2644 2.2644 3.2315 3.2315 3.6927 3.6927 4.1201 4.1201 4.4655 4.4655 5.3030 5.3030 5.8646 5.8646 6.0277 6.0277 6.3088 6.3088 6.4208 6.4208 6.6146 6.6146 6.9672 6.9672 7.0277 7.0277 7.4882 7.4882 8.5524 8.5524 10.1504 10.1504 12.1557 12.1557 15.8042 15.8042 17.8784 17.8784 k = 0.2909 0.1345-0.1041 ( 1743 PWs) bands (ev): -9.9266 -9.9266 -8.8752 -8.8752 2.2719 2.2719 3.2305 3.2305 3.6689 3.6689 4.0953 4.0953 4.4516 4.4516 5.3062 5.3062 5.8722 5.8722 6.0309 6.0309 6.3131 6.3131 6.4203 6.4203 6.6154 6.6154 6.9660 6.9660 7.0242 7.0242 7.4868 7.4868 8.5578 8.5578 10.1523 10.1523 12.2432 12.2432 15.8220 15.8220 17.8226 17.8226 k = 0.3000 0.1387-0.1073 ( 1746 PWs) bands (ev): -9.9146 -9.9146 -8.8734 -8.8734 2.2774 2.2774 3.2294 3.2294 3.6443 3.6443 4.0717 4.0717 4.4402 4.4402 5.3118 5.3118 5.8795 5.8795 6.0351 6.0351 6.3170 6.3170 6.4196 6.4196 6.6158 6.6158 6.9637 6.9637 7.0197 7.0197 7.4848 7.4848 8.5640 8.5640 10.1545 10.1545 12.3302 12.3302 15.8355 15.8355 17.7212 17.7212 k = 0.3091 0.1429-0.1106 ( 1746 PWs) bands (ev): -9.9028 -9.9028 -8.8717 -8.8717 2.2812 2.2812 3.2283 3.2283 3.6193 3.6193 4.0491 4.0491 4.4312 4.4312 5.3200 5.3200 5.8867 5.8867 6.0402 6.0402 6.3209 6.3209 6.4188 6.4188 6.6159 6.6159 6.9599 6.9599 7.0146 7.0146 7.4825 7.4825 8.5710 8.5710 10.1570 10.1570 12.4166 12.4166 15.8439 15.8439 17.6047 17.6047 k = 0.3182 0.1471-0.1138 ( 1746 PWs) bands (ev): -9.8912 -9.8912 -8.8699 -8.8699 2.2831 2.2831 3.2270 3.2270 3.5944 3.5944 4.0273 4.0273 4.4243 4.4243 5.3308 5.3308 5.8937 5.8937 6.0464 6.0464 6.3244 6.3244 6.4178 6.4178 6.6157 6.6157 6.9549 6.9549 7.0088 7.0088 7.4802 7.4802 8.5786 8.5786 10.1598 10.1598 12.5024 12.5024 15.8460 15.8460 17.4879 17.4879 k = 0.3273 0.1513-0.1171 ( 1746 PWs) bands (ev): -9.8799 -9.8799 -8.8681 -8.8681 2.2834 2.2834 3.2257 3.2257 3.5698 3.5698 4.0064 4.0064 4.4192 4.4192 5.3442 5.3442 5.9004 5.9004 6.0534 6.0534 6.3275 6.3275 6.4168 6.4168 6.6152 6.6152 6.9485 6.9485 7.0024 7.0024 7.4779 7.4779 8.5864 8.5864 10.1629 10.1629 12.5874 12.5874 15.8406 15.8406 17.3772 17.3772 k = 0.3364 0.1555-0.1203 ( 1746 PWs) bands (ev): -9.8690 -9.8690 -8.8664 -8.8664 2.2819 2.2819 3.2244 3.2244 3.5459 3.5459 3.9863 3.9863 4.4156 4.4156 5.3600 5.3600 5.9066 5.9066 6.0614 6.0614 6.3303 6.3303 6.4156 6.4156 6.6144 6.6144 6.9408 6.9408 6.9954 6.9954 7.4759 7.4759 8.5945 8.5945 10.1662 10.1662 12.6718 12.6718 15.8264 15.8264 17.2759 17.2759 k = 0.3455 0.1597-0.1236 ( 1750 PWs) bands (ev): -9.8584 -9.8584 -8.8647 -8.8647 2.2790 2.2790 3.2230 3.2230 3.5229 3.5229 3.9668 3.9668 4.4132 4.4132 5.3781 5.3781 5.9124 5.9124 6.0702 6.0702 6.3326 6.3326 6.4142 6.4142 6.6132 6.6132 6.9319 6.9319 6.9880 6.9880 7.4743 7.4743 8.6027 8.6027 10.1697 10.1697 12.7554 12.7554 15.8021 15.8021 17.1865 17.1865 k = 0.3545 0.1639-0.1268 ( 1752 PWs) bands (ev): -9.8481 -9.8481 -8.8630 -8.8630 2.2747 2.2747 3.2215 3.2215 3.5010 3.5010 3.9482 3.9482 4.4118 4.4118 5.3985 5.3985 5.9177 5.9177 6.0799 6.0799 6.3345 6.3345 6.4126 6.4126 6.6116 6.6116 6.9219 6.9219 6.9800 6.9800 7.4731 7.4731 8.6108 8.6108 10.1733 10.1733 12.8384 12.8384 15.7667 15.7667 17.1105 17.1105 k = 0.3636 0.1681-0.1301 ( 1754 PWs) bands (ev): -9.8384 -9.8384 -8.8613 -8.8613 2.2693 2.2693 3.2200 3.2200 3.4805 3.4805 3.9303 3.9303 4.4112 4.4112 5.4210 5.4210 5.9223 5.9223 6.0904 6.0904 6.3360 6.3360 6.4110 6.4110 6.6097 6.6097 6.9111 6.9111 6.9716 6.9716 7.4723 7.4723 8.6188 8.6188 10.1769 10.1769 12.9207 12.9207 15.7199 15.7199 17.0485 17.0485 k = 0.3727 0.1723-0.1333 ( 1751 PWs) bands (ev): -9.8291 -9.8291 -8.8597 -8.8597 2.2629 2.2629 3.2185 3.2185 3.4614 3.4614 3.9133 3.9133 4.4111 4.4111 5.4454 5.4454 5.9262 5.9262 6.1017 6.1017 6.3370 6.3370 6.4091 6.4091 6.6075 6.6075 6.8996 6.8996 6.9629 6.9629 7.4721 7.4721 8.6265 8.6265 10.1806 10.1806 13.0023 13.0023 15.6620 15.6620 17.0004 17.0004 k = 0.3818 0.1765-0.1366 ( 1753 PWs) bands (ev): -9.8202 -9.8202 -8.8581 -8.8581 2.2557 2.2557 3.2171 3.2171 3.4437 3.4437 3.8971 3.8971 4.4114 4.4114 5.4715 5.4715 5.9293 5.9293 6.1137 6.1137 6.3374 6.3374 6.4071 6.4071 6.6048 6.6048 6.8876 6.8876 6.9539 6.9539 7.4723 7.4723 8.6339 8.6339 10.1843 10.1843 13.0832 13.0832 15.5941 15.5941 16.9652 16.9652 k = 0.3909 0.1807-0.1398 ( 1755 PWs) bands (ev): -9.8120 -9.8120 -8.8566 -8.8566 2.2480 2.2480 3.2156 3.2156 3.4275 3.4275 3.8818 3.8818 4.4120 4.4120 5.4991 5.4991 5.9314 5.9314 6.1263 6.1263 6.3374 6.3374 6.4048 6.4048 6.6017 6.6017 6.8753 6.8753 6.9448 6.9448 7.4729 7.4729 8.6408 8.6408 10.1879 10.1879 13.1636 13.1636 15.5179 15.5179 16.9413 16.9413 k = 0.4000 0.1849-0.1431 ( 1757 PWs) bands (ev): -9.8042 -9.8042 -8.8552 -8.8552 2.2400 2.2400 3.2142 3.2142 3.4129 3.4129 3.8675 3.8675 4.4126 4.4126 5.5277 5.5277 5.9325 5.9325 6.1394 6.1394 6.3369 6.3369 6.4021 6.4021 6.5983 6.5983 6.8628 6.8628 6.9357 6.9357 7.4738 7.4738 8.6473 8.6473 10.1914 10.1914 13.2432 13.2432 15.4352 15.4352 16.9267 16.9267 k = 0.4091 0.1891-0.1463 ( 1765 PWs) bands (ev): -9.7971 -9.7971 -8.8539 -8.8539 2.2318 2.2318 3.2128 3.2128 3.3996 3.3996 3.8543 3.8543 4.4134 4.4134 5.5572 5.5572 5.9324 5.9324 6.1529 6.1529 6.3359 6.3359 6.3991 6.3991 6.5945 6.5945 6.8505 6.8505 6.9268 6.9268 7.4750 7.4750 8.6533 8.6533 10.1948 10.1948 13.3221 13.3221 15.3481 15.3481 16.9196 16.9196 k = 0.4182 0.1933-0.1496 ( 1761 PWs) bands (ev): -9.7905 -9.7905 -8.8526 -8.8526 2.2238 2.2238 3.2115 3.2115 3.3879 3.3879 3.8421 3.8421 4.4141 4.4141 5.5872 5.5872 5.9311 5.9311 6.1668 6.1668 6.3346 6.3346 6.3959 6.3959 6.5906 6.5906 6.8385 6.8385 6.9184 6.9184 7.4765 7.4765 8.6587 8.6587 10.1980 10.1980 13.4002 13.4002 15.2584 15.2584 16.9181 16.9181 k = 0.4273 0.1975-0.1528 ( 1760 PWs) bands (ev): -9.7846 -9.7846 -8.8515 -8.8515 2.2161 2.2161 3.2103 3.2103 3.3776 3.3776 3.8311 3.8311 4.4148 4.4148 5.6174 5.6174 5.9284 5.9284 6.1809 6.1809 6.3328 6.3328 6.3922 6.3922 6.5865 6.5865 6.8270 6.8270 6.9104 6.9104 7.4780 7.4780 8.6636 8.6636 10.2010 10.2010 13.4773 13.4773 15.1678 15.1678 16.9207 16.9207 k = 0.4364 0.2017-0.1561 ( 1760 PWs) bands (ev): -9.7794 -9.7794 -8.8505 -8.8505 2.2088 2.2088 3.2092 3.2092 3.3686 3.3686 3.8212 3.8212 4.4154 4.4154 5.6475 5.6475 5.9243 5.9243 6.1951 6.1951 6.3307 6.3307 6.3881 6.3881 6.5822 6.5822 6.8163 6.8163 6.9031 6.9031 7.4796 7.4796 8.6680 8.6680 10.2038 10.2038 13.5528 13.5528 15.0780 15.0780 16.9259 16.9259 k = 0.4455 0.2059-0.1593 ( 1761 PWs) bands (ev): -9.7748 -9.7748 -8.8496 -8.8496 2.2022 2.2022 3.2082 3.2082 3.3610 3.3610 3.8126 3.8126 4.4159 4.4159 5.6769 5.6769 5.9185 5.9185 6.2091 6.2091 6.3284 6.3284 6.3835 6.3835 6.5781 6.5781 6.8064 6.8064 6.8965 6.8965 7.4811 7.4811 8.6717 8.6717 10.2062 10.2062 13.6263 13.6263 14.9905 14.9905 16.9327 16.9327 k = 0.4545 0.2101-0.1626 ( 1762 PWs) bands (ev): -9.7709 -9.7709 -8.8488 -8.8488 2.1963 2.1963 3.2073 3.2073 3.3546 3.3546 3.8053 3.8053 4.4164 4.4164 5.7054 5.7054 5.9110 5.9110 6.2227 6.2227 6.3257 6.3257 6.3787 6.3787 6.5741 6.5741 6.7978 6.7978 6.8908 6.8908 7.4825 7.4825 8.6749 8.6749 10.2083 10.2083 13.6967 13.6967 14.9071 14.9071 16.9401 16.9401 k = 0.4636 0.2143-0.1658 ( 1758 PWs) bands (ev): -9.7676 -9.7676 -8.8481 -8.8481 2.1914 2.1914 3.2066 3.2066 3.3495 3.3495 3.7992 3.7992 4.4167 4.4167 5.7325 5.7325 5.9019 5.9019 6.2357 6.2357 6.3229 6.3229 6.3738 6.3738 6.5707 6.5707 6.7904 6.7904 6.8861 6.8861 7.4838 7.4838 8.6776 8.6776 10.2101 10.2101 13.7623 13.7623 14.8300 14.8300 16.9472 16.9472 k = 0.4727 0.2185-0.1691 ( 1756 PWs) bands (ev): -9.7651 -9.7651 -8.8476 -8.8476 2.1874 2.1874 3.2061 3.2061 3.3455 3.3455 3.7944 3.7944 4.4170 4.4170 5.7576 5.7576 5.8912 5.8912 6.2475 6.2475 6.3199 6.3199 6.3690 6.3690 6.5678 6.5678 6.7845 6.7845 6.8824 6.8824 7.4848 7.4848 8.6796 8.6796 10.2115 10.2115 13.8207 13.8207 14.7623 14.7623 16.9535 16.9535 k = 0.4818 0.2227-0.1723 ( 1760 PWs) bands (ev): -9.7633 -9.7633 -8.8473 -8.8473 2.1845 2.1845 3.2057 3.2057 3.3426 3.3426 3.7910 3.7910 4.4171 4.4171 5.7798 5.7798 5.8796 5.8796 6.2573 6.2573 6.3168 6.3168 6.3650 6.3650 6.5655 6.5655 6.7801 6.7801 6.8797 6.8797 7.4856 7.4856 8.6810 8.6810 10.2125 10.2125 13.8681 13.8681 14.7081 14.7081 16.9583 16.9583 k = 0.4909 0.2270-0.1756 ( 1762 PWs) bands (ev): -9.7622 -9.7622 -8.8470 -8.8470 2.1827 2.1827 3.2054 3.2054 3.3410 3.3410 3.7890 3.7890 4.4172 4.4172 5.7970 5.7970 5.8688 5.8688 6.2642 6.2642 6.3143 6.3143 6.3623 6.3623 6.5641 6.5641 6.7775 6.7775 6.8780 6.8780 7.4860 7.4860 8.6819 8.6819 10.2131 10.2131 13.8997 13.8997 14.6722 14.6722 16.9613 16.9613 k = 0.5000 0.2312-0.1788 ( 1766 PWs) bands (ev): -9.7619 -9.7619 -8.8470 -8.8470 2.1821 2.1821 3.2053 3.2053 3.3404 3.3404 3.7883 3.7883 4.4172 4.4172 5.8043 5.8043 5.8638 5.8638 6.2668 6.2668 6.3133 6.3133 6.3613 6.3613 6.5636 6.5636 6.7766 6.7766 6.8775 6.8775 7.4861 7.4861 8.6821 8.6821 10.2133 10.2133 13.9109 13.9109 14.6596 14.6596 16.9624 16.9624 k = 0.5000 0.2312-0.1788 ( 1766 PWs) bands (ev): -9.7619 -9.7619 -8.8470 -8.8470 2.1821 2.1821 3.2053 3.2053 3.3404 3.3404 3.7883 3.7883 4.4172 4.4172 5.8043 5.8043 5.8638 5.8638 6.2668 6.2668 6.3133 6.3133 6.3613 6.3613 6.5636 6.5636 6.7766 6.7766 6.8775 6.8775 7.4861 7.4861 8.6821 8.6821 10.2133 10.2133 13.9109 13.9109 14.6596 14.6596 16.9624 16.9624 k = 0.5030 0.2325-0.1688 ( 1766 PWs) bands (ev): -9.7618 -9.7618 -8.8471 -8.8471 2.1826 2.1826 3.2054 3.2054 3.3368 3.3368 3.7920 3.7920 4.4171 4.4171 5.7816 5.7816 5.8845 5.8845 6.2627 6.2627 6.3058 6.3058 6.3705 6.3705 6.5673 6.5673 6.7777 6.7777 6.8786 6.8786 7.4864 7.4864 8.6815 8.6815 10.2128 10.2128 13.9043 13.9043 14.6644 14.6644 16.9591 16.9591 k = 0.5059 0.2339-0.1587 ( 1766 PWs) bands (ev): -9.7615 -9.7615 -8.8476 -8.8476 2.1839 2.1839 3.2057 3.2057 3.3266 3.3266 3.8027 3.8027 4.4168 4.4168 5.7414 5.7414 5.9187 5.9187 6.2477 6.2477 6.2966 6.2966 6.3877 6.3877 6.5777 6.5777 6.7811 6.7811 6.8821 6.8821 7.4874 7.4874 8.6795 8.6795 10.2111 10.2111 13.8851 13.8851 14.6782 14.6782 16.9495 16.9495 k = 0.5089 0.2353-0.1487 ( 1771 PWs) bands (ev): -9.7611 -9.7611 -8.8483 -8.8483 2.1862 2.1862 3.2061 3.2061 3.3108 3.3108 3.8192 3.8192 4.4162 4.4162 5.6974 5.6974 5.9526 5.9526 6.2224 6.2224 6.2932 6.2932 6.4055 6.4055 6.5938 6.5938 6.7867 6.7867 6.8880 6.8880 7.4892 7.4892 8.6760 8.6760 10.2083 10.2083 13.8550 13.8550 14.6994 14.6994 16.9342 16.9342 k = 0.5119 0.2366-0.1386 ( 1771 PWs) bands (ev): -9.7606 -9.7606 -8.8493 -8.8493 2.1893 2.1893 3.2065 3.2065 3.2907 3.2907 3.8404 3.8404 4.4154 4.4154 5.6519 5.6519 5.9842 5.9842 6.1920 6.1920 6.2934 6.2934 6.4229 6.4229 6.6142 6.6142 6.7943 6.7943 6.8967 6.8967 7.4917 7.4917 8.6713 8.6713 10.2045 10.2045 13.8161 13.8161 14.7259 14.7259 16.9142 16.9142 k = 0.5148 0.2380-0.1285 ( 1769 PWs) bands (ev): -9.7599 -9.7599 -8.8506 -8.8506 2.1933 2.1933 3.2065 3.2065 3.2683 3.2683 3.8649 3.8649 4.4144 4.4144 5.6057 5.6057 6.0126 6.0126 6.1595 6.1595 6.2949 6.2949 6.4401 6.4401 6.6369 6.6369 6.8039 6.8039 6.9085 6.9085 7.4951 7.4951 8.6652 8.6652 10.1997 10.1997 13.7705 13.7705 14.7557 14.7557 16.8908 16.8908 k = 0.5178 0.2394-0.1185 ( 1765 PWs) bands (ev): -9.7590 -9.7590 -8.8521 -8.8521 2.1981 2.1981 3.2046 3.2046 3.2460 3.2460 3.8916 3.8916 4.4131 4.4131 5.5593 5.5593 6.0376 6.0376 6.1261 6.1261 6.2971 6.2971 6.4578 6.4578 6.6602 6.6602 6.8156 6.8156 6.9234 6.9234 7.4996 7.4996 8.6577 8.6577 10.1939 10.1939 13.7199 13.7199 14.7870 14.7870 16.8650 16.8650 k = 0.5208 0.2407-0.1084 ( 1765 PWs) bands (ev): -9.7581 -9.7581 -8.8538 -8.8538 2.2036 2.2036 3.1958 3.1958 3.2297 3.2297 3.9195 3.9195 4.4114 4.4114 5.5131 5.5131 6.0588 6.0588 6.0927 6.0927 6.2995 6.2995 6.4762 6.4762 6.6825 6.6825 6.8297 6.8297 6.9414 6.9414 7.5053 7.5053 8.6488 8.6488 10.1872 10.1872 13.6661 13.6661 14.8183 14.8183 16.8379 16.8379 k = 0.5237 0.2421-0.0984 ( 1764 PWs) bands (ev): -9.7571 -9.7571 -8.8558 -8.8558 2.2099 2.2099 3.1759 3.1759 3.2243 3.2243 3.9478 3.9478 4.4093 4.4093 5.4674 5.4674 6.0576 6.0576 6.0785 6.0785 6.3020 6.3020 6.4957 6.4957 6.7026 6.7026 6.8467 6.8467 6.9622 6.9622 7.5123 7.5123 8.6387 8.6387 10.1797 10.1797 13.6103 13.6103 14.8486 14.8486 16.8105 16.8105 k = 0.5267 0.2435-0.0883 ( 1762 PWs) bands (ev): -9.7560 -9.7560 -8.8579 -8.8579 2.2169 2.2169 3.1511 3.1511 3.2241 3.2241 3.9762 3.9762 4.4069 4.4069 5.4226 5.4226 6.0251 6.0251 6.0931 6.0931 6.3044 6.3044 6.5160 6.5160 6.7196 6.7196 6.8666 6.8666 6.9854 6.9854 7.5211 7.5211 8.6272 8.6272 10.1714 10.1714 13.5536 13.5536 14.8769 14.8769 16.7836 16.7836 k = 0.5296 0.2449-0.0782 ( 1762 PWs) bands (ev): -9.7548 -9.7548 -8.8602 -8.8602 2.2245 2.2245 3.1254 3.1254 3.2256 3.2256 4.0040 4.0040 4.4040 4.4040 5.3789 5.3789 5.9927 5.9927 6.1056 6.1056 6.3066 6.3066 6.5370 6.5370 6.7335 6.7335 6.8892 6.8892 7.0102 7.0102 7.5318 7.5318 8.6143 8.6143 10.1623 10.1623 13.4967 13.4967 14.9025 14.9025 16.7580 16.7580 k = 0.5326 0.2462-0.0682 ( 1764 PWs) bands (ev): -9.7537 -9.7537 -8.8626 -8.8626 2.2327 2.2327 3.1000 3.1000 3.2278 3.2278 4.0308 4.0308 4.4006 4.4006 5.3365 5.3365 5.9611 5.9611 6.1159 6.1159 6.3086 6.3086 6.5583 6.5583 6.7448 6.7448 6.9137 6.9137 7.0361 7.0361 7.5446 7.5446 8.6003 8.6003 10.1527 10.1527 13.4405 13.4405 14.9251 14.9251 16.7342 16.7342 k = 0.5356 0.2476-0.0581 ( 1769 PWs) bands (ev): -9.7526 -9.7526 -8.8650 -8.8650 2.2413 2.2413 3.0757 3.0757 3.2303 3.2303 4.0564 4.0564 4.3967 4.3967 5.2958 5.2958 5.9305 5.9305 6.1243 6.1243 6.3104 6.3104 6.5797 6.5797 6.7543 6.7543 6.9389 6.9389 7.0624 7.0624 7.5600 7.5600 8.5851 8.5851 10.1425 10.1425 13.3856 13.3856 14.9442 14.9442 16.7126 16.7126 k = 0.5356 0.2476-0.0581 ( 1769 PWs) bands (ev): -9.7526 -9.7526 -8.8650 -8.8650 2.2413 2.2413 3.0757 3.0757 3.2303 3.2303 4.0564 4.0564 4.3967 4.3967 5.2958 5.2958 5.9305 5.9305 6.1243 6.1243 6.3104 6.3104 6.5797 6.5797 6.7543 6.7543 6.9389 6.9389 7.0624 7.0624 7.5600 7.5600 8.5851 8.5851 10.1425 10.1425 13.3856 13.3856 14.9442 14.9442 16.7126 16.7126 k = 0.5336 0.2467-0.0482 ( 1770 PWs) bands (ev): -9.7506 -9.7506 -8.8664 -8.8664 2.2505 2.2505 3.0562 3.0562 3.2329 3.2329 4.0713 4.0713 4.3868 4.3868 5.2564 5.2564 5.9009 5.9009 6.1336 6.1336 6.3132 6.3132 6.5998 6.5998 6.7642 6.7642 6.9648 6.9648 7.0882 7.0882 7.5704 7.5704 8.5849 8.5849 10.1315 10.1315 13.3722 13.3722 14.8979 14.8979 16.7154 16.7154 k = 0.5316 0.2458-0.0382 ( 1770 PWs) bands (ev): -9.7487 -9.7487 -8.8678 -8.8678 2.2603 2.2603 3.0375 3.0375 3.2356 3.2356 4.0854 4.0854 4.3757 4.3757 5.2189 5.2189 5.8723 5.8723 6.1414 6.1414 6.3156 6.3156 6.6190 6.6190 6.7739 6.7739 6.9902 6.9902 7.1140 7.1140 7.5825 7.5825 8.5851 8.5851 10.1201 10.1201 13.3603 13.3603 14.8484 14.8484 16.7198 16.7198 k = 0.5296 0.2449-0.0283 ( 1769 PWs) bands (ev): -9.7469 -9.7469 -8.8691 -8.8691 2.2707 2.2707 3.0196 3.0196 3.2385 3.2385 4.0988 4.0988 4.3634 4.3634 5.1835 5.1835 5.8449 5.8449 6.1479 6.1479 6.3178 6.3178 6.6371 6.6371 6.7840 6.7840 7.0142 7.0142 7.1395 7.1395 7.5962 7.5962 8.5855 8.5855 10.1083 10.1083 13.3502 13.3502 14.7963 14.7963 16.7255 16.7255 k = 0.5277 0.2439-0.0184 ( 1765 PWs) bands (ev): -9.7452 -9.7452 -8.8705 -8.8705 2.2814 2.2814 3.0025 3.0025 3.2414 3.2414 4.1113 4.1113 4.3500 4.3500 5.1505 5.1505 5.8189 5.8189 6.1534 6.1534 6.3198 6.3198 6.6536 6.6536 6.7950 6.7950 7.0362 7.0362 7.1646 7.1646 7.6116 7.6116 8.5860 8.5860 10.0964 10.0964 13.3422 13.3422 14.7421 14.7421 16.7321 16.7321 k = 0.5257 0.2430-0.0084 ( 1767 PWs) bands (ev): -9.7435 -9.7435 -8.8717 -8.8717 2.2924 2.2924 2.9863 2.9863 3.2442 3.2442 4.1230 4.1230 4.3357 4.3357 5.1199 5.1199 5.7942 5.7942 6.1580 6.1580 6.3215 6.3215 6.6681 6.6681 6.8073 6.8073 7.0555 7.0555 7.1891 7.1891 7.6285 7.6285 8.5864 8.5864 10.0844 10.0844 13.3366 13.3366 14.6863 14.6863 16.7395 16.7395 k = 0.5237 0.2421 0.0015 ( 1766 PWs) bands (ev): -9.7419 -9.7419 -8.8730 -8.8730 2.3036 2.3036 2.9711 2.9711 3.2471 3.2471 4.1338 4.1338 4.3206 4.3206 5.0920 5.0920 5.7710 5.7710 6.1619 6.1619 6.3229 6.3229 6.6806 6.6806 6.8212 6.8212 7.0716 7.0716 7.2129 7.2129 7.6468 7.6468 8.5868 8.5868 10.0725 10.0725 13.3333 13.3333 14.6297 14.6297 16.7472 16.7472 k = 0.5217 0.2412 0.0114 ( 1763 PWs) bands (ev): -9.7404 -9.7404 -8.8742 -8.8742 2.3147 2.3147 2.9570 2.9570 3.2499 3.2499 4.1438 4.1438 4.3050 4.3050 5.0667 5.0667 5.7494 5.7494 6.1652 6.1652 6.3242 6.3242 6.6909 6.6909 6.8366 6.8366 7.0844 7.0844 7.2360 7.2360 7.6661 7.6661 8.5870 8.5870 10.0608 10.0608 13.3326 13.3326 14.5727 14.5727 16.7552 16.7552 k = 0.5198 0.2403 0.0214 ( 1761 PWs) bands (ev): -9.7389 -9.7389 -8.8753 -8.8753 2.3257 2.3257 2.9439 2.9439 3.2526 3.2526 4.1529 4.1529 4.2893 4.2893 5.0439 5.0439 5.7294 5.7294 6.1679 6.1679 6.3254 6.3254 6.6993 6.6993 6.8533 6.8533 7.0937 7.0937 7.2581 7.2581 7.6861 7.6861 8.5870 8.5870 10.0495 10.0495 13.3345 13.3345 14.5159 14.5159 16.7631 16.7631 k = 0.5178 0.2394 0.0313 ( 1756 PWs) bands (ev): -9.7376 -9.7376 -8.8763 -8.8763 2.3364 2.3364 2.9319 2.9319 3.2552 3.2552 4.1611 4.1611 4.2737 4.2737 5.0238 5.0238 5.7111 5.7111 6.1701 6.1701 6.3264 6.3264 6.7061 6.7061 6.8711 6.8711 7.0998 7.0998 7.2792 7.2792 7.7061 7.7061 8.5867 8.5867 10.0388 10.0388 13.3388 13.3388 14.4602 14.4602 16.7708 16.7708 k = 0.5158 0.2385 0.0412 ( 1755 PWs) bands (ev): -9.7364 -9.7364 -8.8772 -8.8772 2.3466 2.3466 2.9210 2.9210 3.2576 3.2576 4.1683 4.1683 4.2586 4.2586 5.0061 5.0061 5.6946 5.6946 6.1720 6.1720 6.3273 6.3273 6.7114 6.7114 6.8894 6.8894 7.1028 7.1028 7.2987 7.2987 7.7259 7.7259 8.5862 8.5862 10.0287 10.0287 13.3454 13.3454 14.4061 14.4061 16.7782 16.7782 k = 0.5138 0.2376 0.0512 ( 1757 PWs) bands (ev): -9.7354 -9.7354 -8.8781 -8.8781 2.3561 2.3561 2.9114 2.9114 3.2598 3.2598 4.1745 4.1745 4.2443 4.2443 4.9908 4.9908 5.6798 5.6798 6.1735 6.1735 6.3280 6.3280 6.7155 6.7155 6.9080 6.9080 7.1029 7.1029 7.3167 7.3167 7.7447 7.7447 8.5854 8.5854 10.0193 10.0193 13.3539 13.3539 14.3546 14.3546 16.7850 16.7850 k = 0.5119 0.2366 0.0611 ( 1757 PWs) bands (ev): -9.7344 -9.7344 -8.8788 -8.8788 2.3648 2.3648 2.9029 2.9029 3.2618 3.2618 4.1796 4.1796 4.2315 4.2315 4.9779 4.9779 5.6670 5.6670 6.1748 6.1748 6.3286 6.3286 6.7187 6.7187 6.9266 6.9266 7.1006 7.1006 7.3328 7.3328 7.7623 7.7623 8.5845 8.5845 10.0110 10.0110 13.3639 13.3639 14.3065 14.3065 16.7912 16.7912 k = 0.5099 0.2357 0.0711 ( 1757 PWs) bands (ev): -9.7336 -9.7336 -8.8795 -8.8795 2.3724 2.3724 2.8957 2.8957 3.2635 3.2635 4.1833 4.1833 4.2206 4.2206 4.9671 4.9671 5.6560 5.6560 6.1757 6.1757 6.3292 6.3292 6.7213 6.7213 6.9447 6.9447 7.0962 7.0962 7.3467 7.3467 7.7779 7.7779 8.5835 8.5835 10.0036 10.0036 13.3747 13.3747 14.2628 14.2628 16.7967 16.7967 k = 0.5079 0.2348 0.0810 ( 1759 PWs) bands (ev): -9.7330 -9.7330 -8.8800 -8.8800 2.3789 2.3789 2.8898 2.8898 3.2649 3.2649 4.1851 4.1851 4.2123 4.2123 4.9584 4.9584 5.6469 5.6469 6.1765 6.1765 6.3296 6.3296 6.7232 6.7232 6.9620 6.9620 7.0900 7.0900 7.3585 7.3585 7.7914 7.7914 8.5824 8.5824 9.9975 9.9975 13.3855 13.3855 14.2246 14.2246 16.8013 16.8013 k = 0.5059 0.2339 0.0909 ( 1763 PWs) bands (ev): -9.7324 -9.7324 -8.8805 -8.8805 2.3841 2.3841 2.8851 2.8851 3.2660 3.2660 4.1847 4.1847 4.2075 4.2075 4.9518 4.9518 5.6399 5.6399 6.1770 6.1770 6.3299 6.3299 6.7246 6.7246 6.9781 6.9781 7.0826 7.0826 7.3677 7.3677 7.8023 7.8023 8.5815 8.5815 9.9926 9.9926 13.3955 13.3955 14.1931 14.1931 16.8049 16.8049 k = 0.5040 0.2330 0.1009 ( 1765 PWs) bands (ev): -9.7321 -9.7321 -8.8808 -8.8808 2.3879 2.3879 2.8818 2.8818 3.2668 3.2668 4.1827 4.1827 4.2055 4.2055 4.9471 4.9471 5.6348 5.6348 6.1773 6.1773 6.3301 6.3301 6.7255 6.7255 6.9920 6.9920 7.0748 7.0748 7.3744 7.3744 7.8102 7.8102 8.5807 8.5807 9.9891 9.9891 13.4036 13.4036 14.1695 14.1695 16.8075 16.8075 k = 0.5020 0.2321 0.1108 ( 1764 PWs) bands (ev): -9.7318 -9.7318 -8.8810 -8.8810 2.3902 2.3902 2.8798 2.8798 3.2674 3.2674 4.1808 4.1808 4.2051 4.2051 4.9443 4.9443 5.6318 5.6318 6.1776 6.1776 6.3302 6.3302 6.7260 6.7260 7.0023 7.0023 7.0682 7.0682 7.3784 7.3784 7.8151 7.8151 8.5802 8.5802 9.9869 9.9869 13.4089 13.4089 14.1549 14.1549 16.8091 16.8091 k = 0.5000 0.2312 0.1207 ( 1764 PWs) bands (ev): -9.7318 -9.7318 -8.8810 -8.8810 2.3910 2.3910 2.8791 2.8791 3.2675 3.2675 4.1800 4.1800 4.2050 4.2050 4.9434 4.9434 5.6308 5.6308 6.1777 6.1777 6.3303 6.3303 6.7262 6.7262 7.0063 7.0063 7.0655 7.0655 7.3798 7.3798 7.8168 7.8168 8.5801 8.5801 9.9862 9.9862 13.4107 13.4107 14.1499 14.1499 16.8097 16.8097 k = 0.5000 0.2312 0.1207 ( 1764 PWs) bands (ev): -9.7318 -9.7318 -8.8810 -8.8810 2.3910 2.3910 2.8791 2.8791 3.2675 3.2675 4.1800 4.1800 4.2050 4.2050 4.9434 4.9434 5.6308 5.6308 6.1777 6.1777 6.3303 6.3303 6.7262 6.7262 7.0063 7.0063 7.0655 7.0655 7.3798 7.3798 7.8168 7.8168 8.5801 8.5801 9.9862 9.9862 13.4107 13.4107 14.1499 14.1499 16.8097 16.8097 k = 0.5045 0.2215 0.1207 ( 1760 PWs) bands (ev): -9.7313 -9.7313 -8.8809 -8.8809 2.3919 2.3919 2.8795 2.8795 3.2668 3.2668 4.1813 4.1813 4.2055 4.2055 4.9450 4.9450 5.6255 5.6255 6.1799 6.1799 6.3303 6.3303 6.7256 6.7256 7.0053 7.0053 7.0667 7.0667 7.3792 7.3792 7.8168 7.8168 8.5785 8.5785 9.9852 9.9852 13.4115 13.4115 14.1531 14.1531 16.8099 16.8099 k = 0.5089 0.2118 0.1207 ( 1756 PWs) bands (ev): -9.7297 -9.7297 -8.8807 -8.8807 2.3947 2.3947 2.8806 2.8806 3.2646 3.2646 4.1853 4.1853 4.2070 4.2070 4.9497 4.9497 5.6100 5.6100 6.1860 6.1860 6.3301 6.3301 6.7234 6.7234 7.0026 7.0026 7.0702 7.0702 7.3772 7.3772 7.8169 7.8169 8.5738 8.5738 9.9823 9.9823 13.4140 13.4140 14.1628 14.1628 16.8107 16.8107 k = 0.5134 0.2022 0.1207 ( 1758 PWs) bands (ev): -9.7272 -9.7272 -8.8802 -8.8802 2.3992 2.3992 2.8823 2.8823 3.2609 3.2609 4.1917 4.1917 4.2096 4.2096 4.9575 4.9575 5.5851 5.5851 6.1953 6.1953 6.3297 6.3297 6.7195 6.7195 6.9988 6.9988 7.0753 7.0753 7.3740 7.3740 7.8169 7.8169 8.5658 8.5658 9.9774 9.9774 13.4181 13.4181 14.1787 14.1787 16.8120 16.8120 k = 0.5179 0.1925 0.1207 ( 1758 PWs) bands (ev): -9.7237 -9.7237 -8.8796 -8.8796 2.4055 2.4055 2.8848 2.8848 3.2560 3.2560 4.2002 4.2002 4.2136 4.2136 4.9682 4.9682 5.5521 5.5521 6.2065 6.2065 6.3292 6.3292 6.7143 6.7143 6.9947 6.9947 7.0813 7.0813 7.3696 7.3696 7.8169 7.8169 8.5547 8.5547 9.9709 9.9709 13.4238 13.4238 14.2010 14.2010 16.8137 16.8137 k = 0.5223 0.1829 0.1207 ( 1756 PWs) bands (ev): -9.7191 -9.7191 -8.8789 -8.8789 2.4137 2.4137 2.8879 2.8879 3.2499 3.2499 4.2093 4.2093 4.2204 4.2204 4.9816 4.9816 5.5123 5.5123 6.2185 6.2185 6.3286 6.3286 6.7074 6.7074 6.9908 6.9908 7.0880 7.0880 7.3642 7.3642 7.8167 7.8167 8.5402 8.5402 9.9628 9.9628 13.4312 13.4312 14.2294 14.2294 16.8159 16.8159 k = 0.5268 0.1732 0.1207 ( 1760 PWs) bands (ev): -9.7136 -9.7136 -8.8780 -8.8780 2.4236 2.4236 2.8917 2.8917 3.2426 3.2426 4.2167 4.2167 4.2323 4.2323 4.9976 4.9976 5.4668 5.4668 6.2302 6.2302 6.3278 6.3278 6.6988 6.6988 6.9876 6.9876 7.0949 7.0949 7.3579 7.3579 7.8163 7.8163 8.5225 8.5225 9.9533 9.9533 13.4402 13.4402 14.2637 14.2637 16.8185 16.8185 k = 0.5312 0.1636 0.1207 ( 1760 PWs) bands (ev): -9.7072 -9.7072 -8.8769 -8.8769 2.4353 2.4353 2.8961 2.8961 3.2345 3.2345 4.2230 4.2230 4.2484 4.2484 5.0155 5.0155 5.4171 5.4171 6.2409 6.2409 6.3267 6.3267 6.6888 6.6888 6.9853 6.9853 7.1020 7.1020 7.3509 7.3509 7.8156 7.8156 8.5013 8.5013 9.9427 9.9427 13.4509 13.4509 14.3039 14.3039 16.8215 16.8215 k = 0.5357 0.1539 0.1207 ( 1760 PWs) bands (ev): -9.6997 -9.6997 -8.8756 -8.8756 2.4487 2.4487 2.9012 2.9012 3.2256 3.2256 4.2293 4.2293 4.2674 4.2674 5.0348 5.0348 5.3644 5.3644 6.2498 6.2498 6.3255 6.3255 6.6774 6.6774 6.9842 6.9842 7.1091 7.1091 7.3433 7.3433 7.8146 7.8146 8.4767 8.4767 9.9313 9.9313 13.4631 13.4631 14.3496 14.3496 16.8249 16.8249 k = 0.5402 0.1443 0.1207 ( 1758 PWs) bands (ev): -9.6914 -9.6914 -8.8743 -8.8743 2.4638 2.4638 2.9068 2.9068 3.2162 3.2162 4.2360 4.2360 4.2890 4.2890 5.0538 5.0538 5.3108 5.3108 6.2565 6.2565 6.3240 6.3240 6.6648 6.6648 6.9844 6.9844 7.1161 7.1161 7.3353 7.3353 7.8130 7.8130 8.4487 8.4487 9.9194 9.9194 13.4770 13.4770 14.4008 14.4008 16.8286 16.8286 k = 0.5446 0.1346 0.1207 ( 1754 PWs) bands (ev): -9.6821 -9.6821 -8.8727 -8.8727 2.4806 2.4806 2.9130 2.9130 3.2064 3.2064 4.2429 4.2429 4.3128 4.3128 5.0687 5.0687 5.2607 5.2607 6.2606 6.2606 6.3224 6.3224 6.6513 6.6513 6.9858 6.9858 7.1230 7.1230 7.3270 7.3270 7.8109 7.8109 8.4172 8.4172 9.9072 9.9072 13.4924 13.4924 14.4571 14.4571 16.8326 16.8326 k = 0.5491 0.1249 0.1207 ( 1754 PWs) bands (ev): -9.6719 -9.6719 -8.8711 -8.8711 2.4991 2.4991 2.9198 2.9198 3.1964 3.1964 4.2501 4.2501 4.3386 4.3386 5.0693 5.0693 5.2245 5.2245 6.2619 6.2619 6.3205 6.3205 6.6369 6.6369 6.9885 6.9885 7.1295 7.1295 7.3185 7.3185 7.8083 7.8083 8.3822 8.3822 9.8950 9.8950 13.5095 13.5095 14.5182 14.5182 16.8368 16.8368 k = 0.5536 0.1153 0.1207 ( 1756 PWs) bands (ev): -9.6609 -9.6609 -8.8693 -8.8693 2.5192 2.5192 2.9270 2.9270 3.1863 3.1863 4.2571 4.2571 4.3662 4.3662 5.0423 5.0423 5.2160 5.2160 6.2602 6.2602 6.3184 6.3184 6.6219 6.6219 6.9923 6.9923 7.1357 7.1357 7.3101 7.3101 7.8049 7.8049 8.3439 8.3439 9.8831 9.8831 13.5281 13.5281 14.5840 14.5840 16.8413 16.8413 k = 0.5580 0.1056 0.1207 ( 1756 PWs) bands (ev): -9.6491 -9.6491 -8.8673 -8.8673 2.5409 2.5409 2.9347 2.9347 3.1764 3.1764 4.2638 4.2638 4.3955 4.3955 4.9922 4.9922 5.2313 5.2313 6.2552 6.2552 6.3165 6.3165 6.6068 6.6068 6.9971 6.9971 7.1412 7.1412 7.3020 7.3020 7.8009 7.8009 8.3024 8.3024 9.8717 9.8717 13.5483 13.5483 14.6541 14.6541 16.8461 16.8461 k = 0.5625 0.0960 0.1207 ( 1754 PWs) bands (ev): -9.6364 -9.6364 -8.8653 -8.8653 2.5641 2.5641 2.9429 2.9429 3.1668 3.1668 4.2695 4.2695 4.4263 4.4263 4.9318 4.9318 5.2581 5.2581 6.2471 6.2471 6.3147 6.3147 6.5915 6.5915 7.0028 7.0028 7.1460 7.1460 7.2944 7.2944 7.7962 7.7962 8.2578 8.2578 9.8609 9.8609 13.5700 13.5700 14.7282 14.7282 16.8510 16.8510 k = 0.5670 0.0863 0.1207 ( 1756 PWs) bands (ev): -9.6230 -9.6230 -8.8632 -8.8632 2.5888 2.5888 2.9514 2.9514 3.1576 3.1576 4.2734 4.2734 4.4583 4.4583 4.8682 4.8682 5.2903 5.2903 6.2360 6.2360 6.3130 6.3130 6.5763 6.5763 7.0091 7.0091 7.1498 7.1498 7.2874 7.2874 7.7907 7.7907 8.2104 8.2104 9.8510 9.8510 13.5932 13.5932 14.8062 14.8062 16.8561 16.8561 k = 0.5714 0.0767 0.1207 ( 1756 PWs) bands (ev): -9.6089 -9.6089 -8.8609 -8.8609 2.6150 2.6150 2.9604 2.9604 3.1491 3.1491 4.2743 4.2743 4.4913 4.4913 4.8049 4.8049 5.3256 5.3256 6.2223 6.2223 6.3115 6.3115 6.5614 6.5614 7.0158 7.0158 7.1525 7.1525 7.2812 7.2812 7.7845 7.7845 8.1606 8.1606 9.8420 9.8420 13.6180 13.6180 14.8877 14.8877 16.8614 16.8614 k = 0.5759 0.0670 0.1207 ( 1756 PWs) bands (ev): -9.5941 -9.5941 -8.8586 -8.8586 2.6425 2.6425 2.9696 2.9696 3.1413 3.1413 4.2704 4.2704 4.5247 4.5247 4.7452 4.7452 5.3631 5.3631 6.2064 6.2064 6.3101 6.3101 6.5467 6.5467 7.0228 7.0228 7.1537 7.1537 7.2762 7.2762 7.7775 7.7775 8.1086 8.1086 9.8340 9.8340 13.6442 13.6442 14.9725 14.9725 16.8669 16.8669 k = 0.5804 0.0574 0.1207 ( 1754 PWs) bands (ev): -9.5786 -9.5786 -8.8562 -8.8562 2.6714 2.6714 2.9792 2.9792 3.1344 3.1344 4.2592 4.2592 4.5578 4.5578 4.6926 4.6926 5.4021 5.4021 6.1886 6.1886 6.3087 6.3087 6.5324 6.5324 7.0296 7.0296 7.1533 7.1533 7.2724 7.2724 7.7698 7.7698 8.0550 8.0550 9.8271 9.8271 13.6719 13.6719 15.0602 15.0602 16.8727 16.8727 k = 0.5848 0.0477 0.1207 ( 1752 PWs) bands (ev): -9.5626 -9.5626 -8.8537 -8.8537 2.7015 2.7015 2.9890 2.9890 3.1286 3.1286 4.2376 4.2376 4.5876 4.5876 4.6533 4.6533 5.4423 5.4423 6.1694 6.1694 6.3073 6.3073 6.5185 6.5185 7.0359 7.0359 7.1515 7.1515 7.2699 7.2699 7.7613 7.7613 8.0004 8.0004 9.8214 9.8214 13.7010 13.7010 15.1507 15.1507 16.8787 16.8787 k = 0.5893 0.0380 0.1207 ( 1754 PWs) bands (ev): -9.5460 -9.5460 -8.8512 -8.8512 2.7327 2.7327 2.9990 2.9990 3.1239 3.1239 4.2032 4.2032 4.5970 4.5970 4.6466 4.6466 5.4832 5.4832 6.1492 6.1492 6.3060 6.3060 6.5051 6.5051 7.0413 7.0413 7.1482 7.1482 7.2685 7.2685 7.7518 7.7518 7.9456 7.9456 9.8166 9.8166 13.7316 13.7316 15.2436 15.2436 16.8849 16.8849 k = 0.5937 0.0284 0.1207 ( 1754 PWs) bands (ev): -9.5289 -9.5289 -8.8486 -8.8486 2.7650 2.7650 3.0093 3.0093 3.1205 3.1205 4.1560 4.1560 4.5863 4.5863 4.6726 4.6726 5.5246 5.5246 6.1284 6.1284 6.3046 6.3046 6.4921 6.4921 7.0451 7.0451 7.1439 7.1439 7.2680 7.2680 7.7413 7.7413 7.8915 7.8915 9.8130 9.8130 13.7634 13.7634 15.3388 15.3388 16.8915 16.8915 k = 0.5982 0.0187 0.1207 ( 1760 PWs) bands (ev): -9.5113 -9.5113 -8.8460 -8.8460 2.7983 2.7983 3.0197 3.0197 3.1184 3.1184 4.0978 4.0978 4.5802 4.5802 4.7041 4.7041 5.5661 5.5661 6.1075 6.1075 6.3033 6.3033 6.4797 6.4797 7.0468 7.0468 7.1390 7.1390 7.2677 7.2677 7.7292 7.7292 7.8396 7.8396 9.8104 9.8104 13.7966 13.7966 15.4359 15.4359 16.8984 16.8984 k = 0.6027 0.0091 0.1207 ( 1760 PWs) bands (ev): -9.4934 -9.4934 -8.8434 -8.8434 2.8324 2.8324 3.0302 3.0302 3.1179 3.1179 4.0316 4.0316 4.5814 4.5814 4.7359 4.7359 5.6073 5.6073 6.0870 6.0870 6.3020 6.3020 6.4681 6.4681 7.0457 7.0457 7.1340 7.1340 7.2673 7.2673 7.7144 7.7144 7.7926 7.7926 9.8087 9.8087 13.8310 13.8310 15.5347 15.5347 16.9058 16.9058 k = 0.6071-0.0006 0.1207 ( 1758 PWs) bands (ev): -9.4751 -9.4751 -8.8408 -8.8408 2.8672 2.8672 3.0408 3.0408 3.1191 3.1191 3.9601 3.9601 4.5881 4.5881 4.7665 4.7665 5.6478 5.6478 6.0673 6.0673 6.3009 6.3009 6.4573 6.4573 7.0415 7.0415 7.1289 7.1289 7.2658 7.2658 7.6939 7.6939 7.7546 7.7546 9.8080 9.8080 13.8667 13.8667 15.6349 15.6349 16.9136 16.9136 k = 0.6116-0.0102 0.1207 ( 1766 PWs) bands (ev): -9.4566 -9.4566 -8.8381 -8.8381 2.9025 2.9025 3.0515 3.0515 3.1220 3.1220 3.8852 3.8852 4.5988 4.5988 4.7953 4.7953 5.6867 5.6867 6.0489 6.0489 6.3000 6.3000 6.4472 6.4472 7.0340 7.0340 7.1234 7.1234 7.2624 7.2624 7.6663 7.6663 7.7289 7.7289 9.8079 9.8079 13.9034 13.9034 15.7363 15.7363 16.9219 16.9219 k = 0.6161-0.0199 0.1207 ( 1766 PWs) bands (ev): -9.4378 -9.4378 -8.8355 -8.8355 2.9380 2.9380 3.0624 3.0624 3.1267 3.1267 3.8083 3.8083 4.6124 4.6124 4.8219 4.8219 5.7232 5.7232 6.0328 6.0328 6.2997 6.2997 6.4381 6.4381 7.0234 7.0234 7.1170 7.1170 7.2559 7.2559 7.6375 7.6375 7.7118 7.7118 9.8087 9.8087 13.9412 13.9412 15.8386 15.8386 16.9309 16.9309 k = 0.6205-0.0296 0.1207 ( 1764 PWs) bands (ev): -9.4189 -9.4189 -8.8329 -8.8329 2.9734 2.9734 3.0736 3.0736 3.1334 3.1334 3.7308 3.7308 4.6281 4.6281 4.8458 4.8458 5.7559 5.7559 6.0199 6.0199 6.3001 6.3001 6.4300 6.4300 7.0099 7.0099 7.1087 7.1087 7.2458 7.2458 7.6139 7.6139 7.6988 7.6988 9.8101 9.8101 13.9800 13.9800 15.9416 15.9416 16.9404 16.9404 k = 0.6250-0.0392 0.1207 ( 1762 PWs) bands (ev): -9.3999 -9.3999 -8.8303 -8.8303 3.0080 3.0080 3.0854 3.0854 3.1421 3.1421 3.6533 3.6533 4.6453 4.6453 4.8667 4.8667 5.7831 5.7831 6.0118 6.0118 6.3015 6.3015 6.4230 6.4230 6.9941 6.9941 7.0978 7.0978 7.2318 7.2318 7.5984 7.5984 7.6879 7.6879 9.8119 9.8119 14.0196 14.0196 16.0449 16.0449 16.9508 16.9508 k = 0.6295-0.0489 0.1207 ( 1758 PWs) bands (ev): -9.3809 -9.3809 -8.8278 -8.8278 3.0407 3.0407 3.0983 3.0983 3.1531 3.1531 3.5768 3.5768 4.6636 4.6636 4.8840 4.8840 5.8029 5.8029 6.0096 6.0096 6.3045 6.3045 6.4171 6.4171 6.9760 6.9760 7.0834 7.0834 7.2149 7.2149 7.5914 7.5914 7.6792 7.6792 9.8142 9.8142 14.0599 14.0599 16.1482 16.1482 16.9618 16.9618 k = 0.6339-0.0585 0.1207 ( 1756 PWs) bands (ev): -9.3620 -9.3620 -8.8254 -8.8254 3.0697 3.0697 3.1129 3.1129 3.1665 3.1665 3.5025 3.5025 4.6828 4.6828 4.8974 4.8974 5.8141 5.8141 6.0141 6.0141 6.3092 6.3092 6.4123 6.4123 6.9558 6.9558 7.0653 7.0653 7.1966 7.1966 7.5911 7.5911 7.6735 7.6735 9.8169 9.8169 14.1008 14.1008 16.2511 16.2511 16.9737 16.9737 k = 0.6384-0.0682 0.1207 ( 1754 PWs) bands (ev): -9.3432 -9.3432 -8.8230 -8.8230 3.0932 3.0932 3.1293 3.1293 3.1827 3.1827 3.4322 3.4322 4.7025 4.7025 4.9067 4.9067 5.8173 5.8173 6.0240 6.0240 6.3160 6.3160 6.4088 6.4088 6.9338 6.9338 7.0439 7.0439 7.1783 7.1783 7.5940 7.5940 7.6729 7.6729 9.8197 9.8197 14.1420 14.1420 16.3534 16.3534 16.9865 16.9865 k = 0.6428-0.0778 0.1207 ( 1756 PWs) bands (ev): -9.3245 -9.3245 -8.8207 -8.8207 3.1106 3.1106 3.1447 3.1447 3.2002 3.2002 3.3708 3.3708 4.7226 4.7226 4.9116 4.9116 5.8147 5.8147 6.0370 6.0370 6.3246 6.3246 6.4069 6.4069 6.9101 6.9101 7.0200 7.0200 7.1606 7.1606 7.5958 7.5958 7.6804 7.6804 9.8227 9.8227 14.1833 14.1833 16.4546 16.4546 17.0000 17.0000 k = 0.6473-0.0875 0.1207 ( 1756 PWs) bands (ev): -9.3062 -9.3062 -8.8185 -8.8185 3.1217 3.1217 3.1532 3.1532 3.2133 3.2133 3.3305 3.3305 4.7428 4.7428 4.9118 4.9118 5.8086 5.8086 6.0505 6.0505 6.3344 6.3344 6.4074 6.4074 6.8852 6.8852 6.9951 6.9951 7.1436 7.1436 7.5939 7.5939 7.6975 7.6975 9.8256 9.8256 14.2245 14.2245 16.5543 16.5543 17.0142 17.0142 k = 0.6518-0.0971 0.1207 ( 1758 PWs) bands (ev): -9.2881 -9.2881 -8.8164 -8.8164 3.1119 3.1119 3.1557 3.1557 3.2210 3.2210 3.3259 3.3259 4.7629 4.7629 4.9075 4.9075 5.8007 5.8007 6.0631 6.0631 6.3437 6.3437 6.4113 6.4113 6.8595 6.8595 6.9700 6.9700 7.1272 7.1272 7.5888 7.5888 7.7230 7.7230 9.8284 9.8284 14.2653 14.2653 16.6520 16.6520 17.0289 17.0289 k = 0.6562-0.1068 0.1207 ( 1762 PWs) bands (ev): -9.2705 -9.2705 -8.8144 -8.8144 3.0688 3.0688 3.1652 3.1652 3.2333 3.2333 3.3466 3.3466 4.7823 4.7823 4.8989 4.8989 5.7921 5.7921 6.0741 6.0741 6.3505 6.3505 6.4198 6.4198 6.8334 6.8334 6.9458 6.9458 7.1111 7.1111 7.5818 7.5818 7.7548 7.7548 9.8310 9.8310 14.3052 14.3052 16.7471 16.7471 17.0438 17.0438 k = 0.6607-0.1165 0.1207 ( 1760 PWs) bands (ev): -9.2534 -9.2534 -8.8126 -8.8126 3.0118 3.0118 3.1778 3.1778 3.2507 3.2507 3.3768 3.3768 4.8000 4.8000 4.8870 4.8870 5.7839 5.7839 6.0836 6.0836 6.3539 6.3539 6.4328 6.4328 6.8073 6.8073 6.9231 6.9231 7.0953 7.0953 7.5738 7.5738 7.7914 7.7914 9.8333 9.8333 14.3439 14.3439 16.8391 16.8391 17.0584 17.0584 k = 0.6652-0.1261 0.1207 ( 1760 PWs) bands (ev): -9.2368 -9.2368 -8.8109 -8.8109 2.9514 2.9514 3.1909 3.1909 3.2713 3.2713 3.4103 3.4103 4.8123 4.8123 4.8755 4.8755 5.7764 5.7764 6.0919 6.0919 6.3544 6.3544 6.4485 6.4485 6.7812 6.7812 6.9022 6.9022 7.0800 7.0800 7.5654 7.5654 7.8320 7.8320 9.8350 9.8350 14.3808 14.3808 16.9275 16.9275 17.0719 17.0719 k = 0.6696-0.1358 0.1207 ( 1758 PWs) bands (ev): -9.2209 -9.2209 -8.8093 -8.8093 2.8909 2.8909 3.2041 3.2041 3.2945 3.2945 3.4451 3.4451 4.8101 4.8101 4.8737 4.8737 5.7699 5.7699 6.0993 6.0993 6.3529 6.3529 6.4651 6.4651 6.7548 6.7548 6.8837 6.8837 7.0654 7.0654 7.5569 7.5569 7.8758 7.8758 9.8362 9.8362 14.4154 14.4154 17.0111 17.0111 17.0833 17.0833 k = 0.6741-0.1454 0.1207 ( 1760 PWs) bands (ev): -9.2057 -9.2057 -8.8079 -8.8079 2.8318 2.8318 3.2170 3.2170 3.3199 3.3199 3.4801 3.4801 4.7902 4.7902 4.8849 4.8849 5.7649 5.7649 6.1062 6.1062 6.3500 6.3500 6.4812 6.4812 6.7280 6.7280 6.8677 6.8677 7.0518 7.0518 7.5482 7.5482 7.9223 7.9223 9.8366 9.8366 14.4469 14.4469 17.0798 17.0798 17.1003 17.1003 k = 0.6786-0.1551 0.1207 ( 1760 PWs) bands (ev): -9.1912 -9.1912 -8.8067 -8.8067 2.7748 2.7748 3.2298 3.2298 3.3474 3.3474 3.5148 3.5148 4.7604 4.7604 4.9016 4.9016 5.7613 5.7613 6.1131 6.1131 6.3460 6.3460 6.4957 6.4957 6.7004 6.7004 6.8541 6.8541 7.0399 7.0399 7.5397 7.5397 7.9711 7.9711 9.8361 9.8361 14.4745 14.4745 17.0856 17.0856 17.1679 17.1679 k = 0.6830-0.1647 0.1207 ( 1758 PWs) bands (ev): -9.1776 -9.1776 -8.8057 -8.8057 2.7204 2.7204 3.2422 3.2422 3.3770 3.3770 3.5489 3.5489 4.7250 4.7250 4.9201 4.9201 5.7594 5.7594 6.1200 6.1200 6.3410 6.3410 6.5084 6.5084 6.6719 6.6719 6.8423 6.8423 7.0303 7.0303 7.5312 7.5312 8.0219 8.0219 9.8346 9.8346 14.4973 14.4973 17.0748 17.0748 17.2362 17.2362 k = 0.6875-0.1744 0.1207 ( 1754 PWs) bands (ev): -9.1649 -9.1649 -8.8048 -8.8048 2.6688 2.6688 3.2543 3.2543 3.4086 3.4086 3.5822 3.5822 4.6855 4.6855 4.9391 4.9391 5.7593 5.7593 6.1272 6.1272 6.3352 6.3352 6.5189 6.5189 6.6426 6.6426 6.8316 6.8316 7.0234 7.0234 7.5229 7.5229 8.0740 8.0740 9.8318 9.8318 14.5145 14.5145 17.0510 17.0510 17.2990 17.2990 k = 0.6919-0.1840 0.1207 ( 1756 PWs) bands (ev): -9.1532 -9.1532 -8.8042 -8.8042 2.6203 2.6203 3.2659 3.2659 3.4421 3.4421 3.6145 3.6145 4.6430 4.6430 4.9581 4.9581 5.7608 5.7608 6.1345 6.1345 6.3284 6.3284 6.5268 6.5268 6.6131 6.6131 6.8210 6.8210 7.0197 7.0197 7.5147 7.5147 8.1273 8.1273 9.8276 9.8276 14.5247 14.5247 17.0143 17.0143 17.3559 17.3559 k = 0.6964-0.1937 0.1207 ( 1756 PWs) bands (ev): -9.1425 -9.1425 -8.8037 -8.8037 2.5750 2.5750 3.2771 3.2771 3.4775 3.4775 3.6456 3.6456 4.5981 4.5981 4.9770 4.9770 5.7640 5.7640 6.1421 6.1421 6.3207 6.3207 6.5305 6.5305 6.5855 6.5855 6.8101 6.8101 7.0191 7.0191 7.5067 7.5067 8.1812 8.1812 9.8218 9.8218 14.5271 14.5271 16.9675 16.9675 17.4070 17.4070 k = 0.7009-0.2034 0.1207 ( 1762 PWs) bands (ev): -9.1330 -9.1330 -8.8035 -8.8035 2.5332 2.5332 3.2877 3.2877 3.5147 3.5147 3.6755 3.6755 4.5514 4.5514 4.9957 4.9957 5.7688 5.7688 6.1496 6.1496 6.3119 6.3119 6.5231 6.5231 6.5675 6.5675 6.7985 6.7985 7.0213 7.0213 7.4989 7.4989 8.2355 8.2355 9.8141 9.8141 14.5206 14.5206 16.9158 16.9158 17.4522 17.4522 k = 0.7053-0.2130 0.1207 ( 1760 PWs) bands (ev): -9.1245 -9.1245 -8.8035 -8.8035 2.4949 2.4949 3.2977 3.2977 3.5535 3.5535 3.7041 3.7041 4.5037 4.5037 5.0140 5.0140 5.7752 5.7752 6.1569 6.1569 6.3021 6.3021 6.4998 6.4998 6.5645 6.5645 6.7866 6.7866 7.0259 7.0259 7.4912 7.4912 8.2898 8.2898 9.8044 9.8044 14.5044 14.5044 16.8647 16.8647 17.4916 17.4916 k = 0.7098-0.2227 0.1207 ( 1760 PWs) bands (ev): -9.1173 -9.1173 -8.8037 -8.8037 2.4603 2.4603 3.3069 3.3069 3.5939 3.5939 3.7314 3.7314 4.4554 4.4554 5.0321 5.0321 5.7828 5.7828 6.1637 6.1637 6.2912 6.2912 6.4699 6.4699 6.5677 6.5677 6.7749 6.7749 7.0320 7.0320 7.4838 7.4838 8.3437 8.3437 9.7924 9.7924 14.4780 14.4780 16.8187 16.8187 17.5252 17.5252 k = 0.2902-0.6277 0.2996 ( 1760 PWs) bands (ev): -9.1173 -9.1173 -8.8037 -8.8037 2.4603 2.4603 3.3069 3.3069 3.5939 3.5939 3.7314 3.7314 4.4554 4.4554 5.0321 5.0321 5.7828 5.7828 6.1637 6.1637 6.2912 6.2912 6.4699 6.4699 6.5677 6.5677 6.7749 6.7749 7.0320 7.0320 7.4838 7.4838 8.3437 8.3437 9.7924 9.7924 14.4780 14.4780 16.8187 16.8187 17.5252 17.5252 k = 0.2857-0.6181 0.2996 ( 1760 PWs) bands (ev): -9.1113 -9.1113 -8.8041 -8.8041 2.4295 2.4295 3.3153 3.3153 3.6356 3.6356 3.7575 3.7575 4.4071 4.4071 5.0499 5.0499 5.7913 5.7913 6.1695 6.1695 6.2793 6.2793 6.4386 6.4386 6.5724 6.5724 6.7639 6.7639 7.0390 7.0390 7.4767 7.4767 8.3969 8.3969 9.7779 9.7779 14.4413 14.4413 16.7812 16.7812 17.5528 17.5528 k = 0.2813-0.6084 0.2996 ( 1760 PWs) bands (ev): -9.1066 -9.1066 -8.8048 -8.8048 2.4025 2.4025 3.3226 3.3226 3.6781 3.6781 3.7825 3.7825 4.3596 4.3596 5.0674 5.0674 5.8005 5.8005 6.1738 6.1738 6.2665 6.2665 6.4078 6.4078 6.5774 6.5774 6.7543 6.7543 7.0462 7.0462 7.4698 7.4698 8.4492 8.4492 9.7607 9.7607 14.3947 14.3947 16.7541 16.7541 17.5742 17.5742 k = 0.2768-0.5987 0.2996 ( 1762 PWs) bands (ev): -9.1033 -9.1033 -8.8057 -8.8057 2.3794 2.3794 3.3286 3.3286 3.7207 3.7207 3.8071 3.8071 4.3133 4.3133 5.0846 5.0846 5.8098 5.8098 6.1754 6.1754 6.2535 6.2535 6.3782 6.3782 6.5822 6.5822 6.7467 6.7467 7.0532 7.0532 7.4632 7.4632 8.5002 8.5002 9.7403 9.7403 14.3391 14.3391 16.7385 16.7385 17.5893 17.5893 k = 0.2723-0.5891 0.2996 ( 1758 PWs) bands (ev): -9.1013 -9.1013 -8.8068 -8.8068 2.3603 2.3603 3.3332 3.3332 3.7619 3.7619 3.8325 3.8325 4.2691 4.2691 5.1016 5.1016 5.8186 5.8186 6.1731 6.1731 6.2415 6.2415 6.3508 6.3508 6.5867 6.5867 6.7418 6.7418 7.0596 7.0596 7.4570 7.4570 8.5496 8.5496 9.7166 9.7166 14.2755 14.2755 16.7343 16.7343 17.5977 17.5977 k = 0.2679-0.5794 0.2996 ( 1764 PWs) bands (ev): -9.1006 -9.1006 -8.8082 -8.8082 2.3452 2.3452 3.3361 3.3361 3.7985 3.7985 3.8613 3.8613 4.2277 4.2277 5.1183 5.1183 5.8259 5.8259 6.1654 6.1654 6.2317 6.2317 6.3260 6.3260 6.5906 6.5906 6.7400 6.7400 7.0651 7.0651 7.4511 7.4511 8.5973 8.5973 9.6893 9.6893 14.2055 14.2055 16.7413 16.7413 17.5988 17.5988 k = 0.2634-0.5698 0.2996 ( 1764 PWs) bands (ev): -9.1014 -9.1014 -8.8099 -8.8099 2.3342 2.3342 3.3369 3.3369 3.8272 3.8272 3.8960 3.8960 4.1904 4.1904 5.1349 5.1349 5.8309 5.8309 6.1529 6.1529 6.2238 6.2238 6.3050 6.3050 6.5939 6.5939 6.7414 6.7414 7.0695 7.0695 7.4458 7.4458 8.6431 8.6431 9.6582 9.6582 14.1306 14.1306 16.7586 16.7586 17.5922 17.5922 k = 0.2589-0.5601 0.2996 ( 1760 PWs) bands (ev): -9.1036 -9.1036 -8.8118 -8.8118 2.3274 2.3274 3.3355 3.3355 3.8483 3.8483 3.9346 3.9346 4.1593 4.1593 5.1515 5.1515 5.8324 5.8324 6.1376 6.1376 6.2155 6.2155 6.2892 6.2892 6.5967 6.5967 6.7461 6.7461 7.0727 7.0727 7.4410 7.4410 8.6867 8.6867 9.6231 9.6231 14.0525 14.0525 16.7855 16.7855 17.5776 17.5776 k = 0.2545-0.5505 0.2996 ( 1756 PWs) bands (ev): -9.1072 -9.1072 -8.8139 -8.8139 2.3246 2.3246 3.3315 3.3315 3.8642 3.8642 3.9708 3.9708 4.1387 4.1387 5.1680 5.1680 5.8292 5.8292 6.1217 6.1217 6.2041 6.2041 6.2800 6.2800 6.5991 6.5991 6.7536 6.7536 7.0746 7.0746 7.4368 7.4368 8.7281 8.7281 9.5838 9.5838 13.9725 13.9725 16.8210 16.8210 17.5548 17.5548 k = 0.2500-0.5408 0.2996 ( 1754 PWs) bands (ev): -9.1122 -9.1122 -8.8163 -8.8163 2.3261 2.3261 3.3247 3.3247 3.8766 3.8766 3.9944 3.9944 4.1374 4.1374 5.1845 5.1845 5.8205 5.8205 6.1067 6.1067 6.1892 6.1892 6.2776 6.2776 6.6012 6.6012 6.7635 6.7635 7.0752 7.0752 7.4334 7.4334 8.7671 8.7671 9.5401 9.5401 13.8920 13.8920 16.8643 16.8643 17.5237 17.5237 k = 0.2456-0.5311 0.2996 ( 1756 PWs) bands (ev): -9.1186 -9.1186 -8.8189 -8.8189 2.3316 2.3316 3.3150 3.3150 3.8860 3.8860 3.9989 3.9989 4.1613 4.1613 5.2011 5.2011 5.8061 5.8061 6.0927 6.0927 6.1723 6.1723 6.2807 6.2807 6.6034 6.6034 6.7749 6.7749 7.0745 7.0745 7.4308 7.4308 8.8035 8.8035 9.4921 9.4921 13.8122 13.8122 16.9145 16.9145 17.4846 17.4846 k = 0.2411-0.5215 0.2996 ( 1754 PWs) bands (ev): -9.1264 -9.1264 -8.8218 -8.8218 2.3413 2.3413 3.3021 3.3021 3.8930 3.8930 3.9915 3.9915 4.2027 4.2027 5.2178 5.2178 5.7865 5.7865 6.0789 6.0789 6.1552 6.1552 6.2883 6.2883 6.6058 6.6058 6.7874 6.7874 7.0727 7.0727 7.4292 7.4292 8.8372 8.8372 9.4397 9.4397 13.7339 13.7339 16.9710 16.9710 17.4382 17.4382 k = 0.2366-0.5118 0.2996 ( 1756 PWs) bands (ev): -9.1356 -9.1356 -8.8249 -8.8249 2.3551 2.3551 3.2863 3.2863 3.8978 3.8978 3.9812 3.9812 4.2524 4.2524 5.2346 5.2346 5.7626 5.7626 6.0640 6.0640 6.1394 6.1394 6.2995 6.2995 6.6085 6.6085 6.7999 6.7999 7.0701 7.0701 7.4287 7.4287 8.8680 8.8680 9.3831 9.3831 13.6580 13.6580 17.0332 17.0332 17.3850 17.3850 k = 0.2322-0.5022 0.2996 ( 1760 PWs) bands (ev): -9.1462 -9.1462 -8.8282 -8.8282 2.3730 2.3730 3.2678 3.2678 3.9004 3.9004 3.9719 3.9719 4.3059 4.3059 5.2515 5.2515 5.7355 5.7355 6.0472 6.0472 6.1256 6.1256 6.3139 6.3139 6.6114 6.6114 6.8117 6.8117 7.0669 7.0669 7.4294 7.4294 8.8955 8.8955 9.3229 9.3229 13.5849 13.5849 17.1002 17.1002 17.3261 17.3261 k = 0.2277-0.4925 0.2996 ( 1760 PWs) bands (ev): -9.1580 -9.1580 -8.8318 -8.8318 2.3950 2.3950 3.2468 3.2468 3.9010 3.9010 3.9648 3.9648 4.3613 4.3613 5.2688 5.2688 5.7064 5.7064 6.0282 6.0282 6.1138 6.1138 6.3310 6.3310 6.6147 6.6147 6.8221 6.8221 7.0637 7.0637 7.4316 7.4316 8.9190 8.9190 9.2599 9.2599 13.5152 13.5152 17.1703 17.1703 17.2637 17.2637 k = 0.2232-0.4829 0.2996 ( 1764 PWs) bands (ev): -9.1712 -9.1712 -8.8357 -8.8357 2.4209 2.4209 3.2237 3.2237 3.8998 3.8998 3.9602 3.9602 4.4178 4.4178 5.2861 5.2861 5.6759 5.6759 6.0076 6.0076 6.1034 6.1034 6.3502 6.3502 6.6183 6.6183 6.8300 6.8300 7.0610 7.0610 7.4354 7.4354 8.9367 8.9367 9.1964 9.1964 13.4491 13.4491 17.1847 17.1847 17.2567 17.2567 k = 0.2188-0.4732 0.2996 ( 1758 PWs) bands (ev): -9.1856 -9.1856 -8.8397 -8.8397 2.4508 2.4508 3.1991 3.1991 3.8965 3.8965 3.9582 3.9582 4.4746 4.4746 5.3037 5.3037 5.6449 5.6449 5.9863 5.9863 6.0941 6.0941 6.3712 6.3712 6.6222 6.6222 6.8348 6.8348 7.0595 7.0595 7.4409 7.4409 8.9439 8.9439 9.1372 9.1372 13.3866 13.3866 17.1149 17.1149 17.3339 17.3339 k = 0.2143-0.4635 0.2996 ( 1760 PWs) bands (ev): -9.2011 -9.2011 -8.8440 -8.8440 2.4846 2.4846 3.1734 3.1734 3.8908 3.8908 3.9589 3.9589 4.5312 4.5312 5.3213 5.3213 5.6137 5.6137 5.9649 5.9649 6.0854 6.0854 6.3932 6.3932 6.6261 6.6261 6.8358 6.8358 7.0594 7.0594 7.4483 7.4483 8.9292 8.9292 9.0943 9.0943 13.3279 13.3279 17.0386 17.0386 17.4178 17.4178 k = 0.2098-0.4539 0.2996 ( 1762 PWs) bands (ev): -9.2179 -9.2179 -8.8485 -8.8485 2.5222 2.5222 3.1470 3.1470 3.8826 3.8826 3.9622 3.9622 4.5872 4.5872 5.3389 5.3389 5.5829 5.5829 5.9441 5.9441 6.0771 6.0771 6.4160 6.4160 6.6299 6.6299 6.8328 6.8328 7.0610 7.0610 7.4576 7.4576 8.8830 8.8830 9.0775 9.0775 13.2729 13.2729 16.9587 16.9587 17.5055 17.5055 k = 0.2054-0.4442 0.2996 ( 1762 PWs) bands (ev): -9.2357 -9.2357 -8.8532 -8.8532 2.5634 2.5634 3.1203 3.1203 3.8717 3.8717 3.9678 3.9678 4.6421 4.6421 5.3562 5.3562 5.5528 5.5528 5.9243 5.9243 6.0693 6.0693 6.4390 6.4390 6.6333 6.6333 6.8263 6.8263 7.0644 7.0644 7.4689 7.4689 8.8146 8.8146 9.0786 9.0786 13.2213 13.2213 16.8760 16.8760 17.5963 17.5963 k = 0.2009-0.4346 0.2996 ( 1760 PWs) bands (ev): -9.2545 -9.2545 -8.8581 -8.8581 2.6083 2.6083 3.0938 3.0938 3.8582 3.8582 3.9754 3.9754 4.6956 4.6956 5.3729 5.3729 5.5241 5.5241 5.9060 5.9060 6.0621 6.0621 6.4619 6.4619 6.6356 6.6356 6.8173 6.8173 7.0691 7.0691 7.4823 7.4823 8.7355 8.7355 9.0863 9.0863 13.1731 13.1731 16.7909 16.7909 17.6898 17.6898 k = 0.1964-0.4249 0.2996 ( 1762 PWs) bands (ev): -9.2743 -9.2743 -8.8632 -8.8632 2.6567 2.6567 3.0677 3.0677 3.8421 3.8421 3.9847 3.9847 4.7470 4.7470 5.3874 5.3874 5.4979 5.4979 5.8895 5.8895 6.0555 6.0555 6.4843 6.4843 6.6358 6.6358 6.8073 6.8073 7.0748 7.0748 7.4975 7.4975 8.6512 8.6512 9.0959 9.0959 13.1280 13.1280 16.7036 16.7036 17.7854 17.7854 k = 0.1920-0.4153 0.2996 ( 1760 PWs) bands (ev): -9.2950 -9.2950 -8.8684 -8.8684 2.7084 2.7084 3.0424 3.0424 3.8236 3.8236 3.9954 3.9954 4.7961 4.7961 5.3967 5.3967 5.4776 5.4776 5.8753 5.8753 6.0498 6.0498 6.5057 6.5057 6.6327 6.6327 6.7984 6.7984 7.0812 7.0812 7.5145 7.5145 8.5642 8.5642 9.1057 9.1057 13.0857 13.0857 16.6144 16.6144 17.8828 17.8828 k = 0.1875-0.4056 0.2996 ( 1756 PWs) bands (ev): -9.3165 -9.3165 -8.8738 -8.8738 2.7633 2.7633 3.0181 3.0181 3.8028 3.8028 4.0073 4.0073 4.8422 4.8422 5.3937 5.3937 5.4699 5.4699 5.8637 5.8637 6.0450 6.0450 6.5253 6.5253 6.6252 6.6252 6.7930 6.7930 7.0878 7.0878 7.5331 7.5331 8.4759 8.4759 9.1151 9.1151 13.0460 13.0460 16.5236 16.5236 17.9811 17.9811 k = 0.1830-0.3959 0.2996 ( 1758 PWs) bands (ev): -9.3388 -9.3388 -8.8794 -8.8794 2.8211 2.8211 2.9951 2.9951 3.7798 3.7798 4.0201 4.0201 4.8849 4.8849 5.3769 5.3769 5.4761 5.4761 5.8549 5.8549 6.0413 6.0413 6.5410 6.5410 6.6137 6.6137 6.7925 6.7925 7.0947 7.0947 7.5531 7.5531 8.3872 8.3872 9.1238 9.1238 13.0085 13.0085 16.4312 16.4312 18.0799 18.0799 k = 0.1786-0.3863 0.2996 ( 1756 PWs) bands (ev): -9.3618 -9.3618 -8.8852 -8.8852 2.8809 2.8809 2.9745 2.9745 3.7547 3.7547 4.0336 4.0336 4.9239 4.9239 5.3532 5.3532 5.4893 5.4893 5.8490 5.8490 6.0389 6.0389 6.5469 6.5469 6.6044 6.6044 6.7975 6.7975 7.1016 7.1016 7.5742 7.5742 8.2993 8.2993 9.1317 9.1317 12.9731 12.9731 16.3374 16.3374 18.1783 18.1783 k = 0.1741-0.3766 0.2996 ( 1754 PWs) bands (ev): -9.3853 -9.3853 -8.8910 -8.8910 2.9319 2.9319 2.9670 2.9670 3.7278 3.7278 4.0477 4.0477 4.9585 4.9585 5.3269 5.3269 5.5050 5.5050 5.8462 5.8462 6.0379 6.0379 6.5336 6.5336 6.6071 6.6071 6.8072 6.8072 7.1086 7.1086 7.5961 7.5961 8.2128 8.2128 9.1388 9.1388 12.9393 12.9393 16.2424 16.2424 18.2753 18.2753 k = 0.1697-0.3670 0.2996 ( 1750 PWs) bands (ev): -9.4094 -9.4094 -8.8970 -8.8970 2.9275 2.9275 3.0192 3.0192 3.6991 3.6991 4.0623 4.0623 4.9885 4.9885 5.2997 5.2997 5.5213 5.5213 5.8465 5.8465 6.0383 6.0383 6.5059 6.5059 6.6182 6.6182 6.8208 6.8208 7.1157 7.1157 7.6186 7.6186 8.1289 8.1289 9.1453 9.1453 12.9071 12.9071 16.1462 16.1462 18.3700 18.3700 k = 0.1652-0.3573 0.2996 ( 1752 PWs) bands (ev): -9.4340 -9.4340 -8.9031 -8.9031 2.9115 2.9115 3.0870 3.0870 3.6690 3.6690 4.0773 4.0773 5.0137 5.0137 5.2720 5.2720 5.5377 5.5377 5.8494 5.8494 6.0400 6.0400 6.4713 6.4713 6.6313 6.6313 6.8373 6.8373 7.1229 7.1229 7.6414 7.6414 8.0483 8.0483 9.1512 9.1512 12.8760 12.8760 16.0491 16.0491 18.4610 18.4611 k = 0.1607-0.3477 0.2996 ( 1754 PWs) bands (ev): -9.4589 -9.4589 -8.9093 -8.9093 2.8961 2.8961 3.1582 3.1582 3.6377 3.6377 4.0924 4.0924 5.0337 5.0337 5.2442 5.2442 5.5537 5.5537 5.8550 5.8550 6.0430 6.0430 6.4329 6.4329 6.6442 6.6442 6.8557 6.8557 7.1301 7.1301 7.6638 7.6638 7.9726 7.9726 9.1566 9.1566 12.8460 12.8460 15.9510 15.9510 18.5472 18.5472 k = 0.1563-0.3380 0.2996 ( 1754 PWs) bands (ev): -9.4842 -9.4842 -8.9156 -8.9156 2.8822 2.8822 3.2317 3.2317 3.6056 3.6056 4.1076 4.1076 5.0485 5.0485 5.2164 5.2164 5.5693 5.5693 5.8626 5.8626 6.0471 6.0471 6.3923 6.3923 6.6561 6.6561 6.8752 6.8752 7.1374 7.1374 7.6853 7.6853 7.9032 7.9032 9.1618 9.1618 12.8167 12.8167 15.8522 15.8522 18.6270 18.6270 k = 0.1518-0.3283 0.2996 ( 1754 PWs) bands (ev): -9.5097 -9.5097 -8.9220 -8.9220 2.8699 2.8699 3.3065 3.3065 3.5734 3.5734 4.1229 4.1229 5.0579 5.0579 5.1890 5.1890 5.5842 5.5842 5.8716 5.8716 6.0519 6.0519 6.3511 6.3511 6.6671 6.6671 6.8946 6.8946 7.1447 7.1447 7.7038 7.7038 7.8433 7.8433 9.1669 9.1669 12.7881 12.7881 15.7527 15.7527 18.6992 18.6992 k = 0.1473-0.3187 0.2996 ( 1750 PWs) bands (ev): -9.5353 -9.5353 -8.9284 -8.9284 2.8594 2.8594 3.3804 3.3804 3.5434 3.5434 4.1381 4.1381 5.0620 5.0620 5.1623 5.1623 5.5982 5.5982 5.8814 5.8814 6.0568 6.0568 6.3107 6.3107 6.6769 6.6769 6.9125 6.9125 7.1519 7.1519 7.7124 7.7124 7.8010 7.8010 9.1721 9.1721 12.7598 12.7598 15.6527 15.6527 18.7623 18.7623 k = 0.1429-0.3090 0.2996 ( 1754 PWs) bands (ev): -9.5610 -9.5610 -8.9348 -8.9348 2.8507 2.8507 3.4402 3.4402 3.5286 3.5286 4.1532 4.1532 5.0603 5.0603 5.1367 5.1367 5.6109 5.6109 5.8910 5.8910 6.0610 6.0610 6.2730 6.2730 6.6855 6.6855 6.9275 6.9275 7.1588 7.1588 7.6984 7.6984 7.7906 7.7906 9.1775 9.1775 12.7319 12.7319 15.5522 15.5522 18.8154 18.8154 k = 0.1384-0.2994 0.2996 ( 1750 PWs) bands (ev): -9.5867 -9.5867 -8.9413 -8.9413 2.8439 2.8439 3.4430 3.4430 3.5719 3.5719 4.1681 4.1681 5.0528 5.0528 5.1127 5.1127 5.6218 5.6218 5.8994 5.8994 6.0632 6.0632 6.2411 6.2411 6.6931 6.6931 6.9376 6.9376 7.1655 7.1655 7.6728 7.6728 7.8026 7.8026 9.1835 9.1835 12.7041 12.7041 15.4514 15.4514 18.8578 18.8578 k = 0.1339-0.2897 0.2996 ( 1750 PWs) bands (ev): -9.6124 -9.6124 -8.9477 -8.9477 2.8389 2.8389 3.4146 3.4146 3.6476 3.6476 4.1826 4.1826 5.0392 5.0392 5.0908 5.0908 5.6300 5.6300 5.9053 5.9053 6.0623 6.0623 6.2180 6.2180 6.6997 6.6997 6.9412 6.9412 7.1719 7.1719 7.6528 7.6528 7.8210 7.8210 9.1903 9.1903 12.6762 12.6762 15.3503 15.3503 18.8894 18.8894 k = 0.1295-0.2801 0.2996 ( 1750 PWs) bands (ev): -9.6379 -9.6379 -8.9542 -8.9542 2.8358 2.8358 3.3808 3.3808 3.7298 3.7298 4.1969 4.1969 5.0205 5.0205 5.0703 5.0703 5.6343 5.6343 5.9074 5.9074 6.0586 6.0586 6.2060 6.2060 6.7053 6.7053 6.9373 6.9373 7.1783 7.1783 7.6437 7.6437 7.8409 7.8409 9.1980 9.1980 12.6483 12.6483 15.2492 15.2492 18.9105 18.9105 k = 0.1250-0.2704 0.2996 ( 1746 PWs) bands (ev): -9.6632 -9.6632 -8.9606 -8.9606 2.8346 2.8346 3.3456 3.3456 3.8143 3.8143 4.2108 4.2108 4.9984 4.9984 5.0499 5.0499 5.6331 5.6331 5.9056 5.9056 6.0547 6.0547 6.2044 6.2044 6.7101 6.7101 6.9258 6.9258 7.1847 7.1847 7.6460 7.6460 7.8612 7.8612 9.2071 9.2071 12.6202 12.6202 15.1482 15.1482 18.9218 18.9218 k = 0.1205-0.2607 0.2996 ( 1746 PWs) bands (ev): -9.6883 -9.6883 -8.9670 -8.9670 2.8352 2.8352 3.3101 3.3101 3.8999 3.8999 4.2244 4.2244 4.9746 4.9746 5.0279 5.0279 5.6247 5.6247 5.9014 5.9014 6.0535 6.0535 6.2104 6.2104 6.7139 6.7139 6.9076 6.9076 7.1912 7.1912 7.6589 7.6589 7.8812 7.8812 9.2176 9.2176 12.5917 12.5917 15.0474 15.0474 18.9243 18.9243 k = 0.1161-0.2511 0.2996 ( 1746 PWs) bands (ev): -9.7130 -9.7130 -8.9734 -8.9734 2.8377 2.8377 3.2746 3.2746 3.9857 3.9857 4.2380 4.2380 4.9499 4.9499 5.0037 5.0037 5.6083 5.6083 5.8979 5.8979 6.0556 6.0556 6.2215 6.2215 6.7166 6.7166 6.8848 6.8848 7.1977 7.1977 7.6805 7.6805 7.9007 7.9007 9.2301 9.2301 12.5629 12.5629 14.9469 14.9469 18.9193 18.9193 k = 0.1116-0.2414 0.2996 ( 1740 PWs) bands (ev): -9.7373 -9.7373 -8.9796 -8.9796 2.8420 2.8420 3.2394 3.2394 4.0705 4.0705 4.2524 4.2524 4.9251 4.9251 4.9769 4.9769 5.5841 5.5841 5.8975 5.8975 6.0605 6.0605 6.2359 6.2359 6.7178 6.7178 6.8596 6.8596 7.2039 7.2039 7.7085 7.7085 7.9196 7.9196 9.2447 9.2447 12.5337 12.5337 14.8470 14.8470 18.9078 18.9078 k = 0.1071-0.2318 0.2996 ( 1742 PWs) bands (ev): -9.7611 -9.7611 -8.9858 -8.9858 2.8480 2.8480 3.2048 3.2048 4.1509 4.1509 4.2704 4.2704 4.9001 4.9001 4.9474 4.9474 5.5539 5.5539 5.9008 5.9008 6.0668 6.0668 6.2523 6.2523 6.7161 6.7161 6.8347 6.8347 7.2098 7.2098 7.7409 7.7409 7.9378 7.9378 9.2618 9.2618 12.5040 12.5040 14.7478 14.7478 18.8912 18.8912 k = 0.1027-0.2221 0.2996 ( 1742 PWs) bands (ev): -9.7845 -9.7845 -8.9919 -8.9919 2.8557 2.8557 3.1709 3.1709 4.2152 4.2152 4.3034 4.3034 4.8749 4.8749 4.9157 4.9157 5.5200 5.5200 5.9074 5.9074 6.0739 6.0739 6.2702 6.2702 6.7099 6.7099 6.8135 6.8135 7.2152 7.2152 7.7760 7.7760 7.9553 7.9553 9.2815 9.2815 12.4738 12.4738 14.6495 14.6495 18.8704 18.8704 k = 0.0982-0.2125 0.2996 ( 1736 PWs) bands (ev): -9.8072 -9.8072 -8.9978 -8.9978 2.8651 2.8651 3.1378 3.1378 4.2482 4.2482 4.3664 4.3664 4.8486 4.8486 4.8828 4.8828 5.4844 5.4844 5.9164 5.9164 6.0815 6.0815 6.2887 6.2887 6.6971 6.6971 6.7992 6.7992 7.2201 7.2201 7.8123 7.8123 7.9720 7.9720 9.3043 9.3043 12.4431 12.4431 14.5523 14.5523 18.8464 18.8464 k = 0.0938-0.2028 0.2996 ( 1736 PWs) bands (ev): -9.8293 -9.8293 -9.0036 -9.0036 2.8760 2.8760 3.1058 3.1058 4.2632 4.2632 4.4452 4.4452 4.8191 4.8191 4.8513 4.8513 5.4487 5.4487 5.9268 5.9268 6.0892 6.0892 6.3074 6.3074 6.6778 6.6778 6.7924 6.7924 7.2244 7.2244 7.8486 7.8486 7.9879 7.9879 9.3302 9.3302 12.4118 12.4118 14.4564 14.4564 18.8200 18.8200 k = 0.0893-0.1931 0.2996 ( 1736 PWs) bands (ev): -9.8508 -9.8508 -9.0093 -9.0093 2.8883 2.8883 3.0752 3.0752 4.2722 4.2722 4.5272 4.5272 4.7842 4.7842 4.8239 4.8239 5.4143 5.4143 5.9379 5.9379 6.0968 6.0968 6.3257 6.3257 6.6546 6.6546 6.7913 6.7913 7.2281 7.2281 7.8839 7.8839 8.0030 8.0030 9.3593 9.3593 12.3800 12.3800 14.3620 14.3620 18.7920 18.7920 k = 0.0848-0.1835 0.2996 ( 1738 PWs) bands (ev): -9.8715 -9.8715 -9.0148 -9.0148 2.9015 2.9015 3.0462 3.0462 4.2780 4.2780 4.6074 4.6074 4.7457 4.7457 4.8011 4.8011 5.3820 5.3820 5.9493 5.9493 6.1042 6.1042 6.3430 6.3430 6.6303 6.6303 6.7938 6.7938 7.2312 7.2312 7.9176 7.9176 8.0172 8.0172 9.3917 9.3917 12.3476 12.3476 14.2694 14.2694 18.7629 18.7629 k = 0.0804-0.1738 0.2996 ( 1738 PWs) bands (ev): -9.8914 -9.8914 -9.0201 -9.0201 2.9147 2.9147 3.0199 3.0199 4.2814 4.2814 4.6683 4.6683 4.7193 4.7193 4.7835 4.7835 5.3525 5.3525 5.9606 5.9606 6.1115 6.1115 6.3585 6.3585 6.6069 6.6069 6.7986 6.7986 7.2338 7.2338 7.9491 7.9491 8.0307 8.0307 9.4274 9.4274 12.3147 12.3147 14.1789 14.1789 18.7332 18.7332 k = 0.0759-0.1642 0.2996 ( 1738 PWs) bands (ev): -9.9105 -9.9105 -9.0252 -9.0252 2.9255 2.9255 2.9988 2.9988 4.2826 4.2826 4.6455 4.6455 4.7427 4.7427 4.7980 4.7980 5.3263 5.3263 5.9715 5.9715 6.1185 6.1185 6.3713 6.3713 6.5861 6.5861 6.8048 6.8048 7.2359 7.2359 7.9779 7.9779 8.0433 8.0433 9.4662 9.4662 12.2814 12.2814 14.0907 14.0907 18.7035 18.7035 k = 0.0714-0.1545 0.2996 ( 1740 PWs) bands (ev): -9.9287 -9.9287 -9.0301 -9.0301 2.9268 2.9268 2.9899 2.9899 4.2814 4.2814 4.6020 4.6020 4.7324 4.7324 4.8647 4.8647 5.3039 5.3039 5.9818 5.9818 6.1252 6.1252 6.3803 6.3803 6.5693 6.5693 6.8120 6.8120 7.2376 7.2376 8.0040 8.0040 8.0551 8.0551 9.5078 9.5078 12.2478 12.2478 14.0051 14.0051 18.6740 18.6740 k = 0.0670-0.1449 0.2996 ( 1738 PWs) bands (ev): -9.9461 -9.9461 -9.0347 -9.0347 2.9144 2.9144 2.9974 2.9974 4.2774 4.2774 4.5574 4.5574 4.7165 4.7165 4.9358 4.9358 5.2865 5.2865 5.9915 5.9915 6.1316 6.1316 6.3842 6.3842 6.5580 6.5580 6.8200 6.8200 7.2392 7.2392 8.0271 8.0271 8.0663 8.0663 9.5518 9.5518 12.2139 12.2139 13.9224 13.9224 18.6451 18.6451 k = 0.0625-0.1352 0.2996 ( 1738 PWs) bands (ev): -9.9624 -9.9624 -9.0392 -9.0392 2.8954 2.8954 3.0141 3.0141 4.2698 4.2698 4.5143 4.5143 4.7006 4.7006 5.0018 5.0018 5.2759 5.2759 6.0004 6.0004 6.1376 6.1376 6.3822 6.3822 6.5527 6.5527 6.8283 6.8283 7.2405 7.2405 8.0472 8.0472 8.0767 8.0767 9.5978 9.5978 12.1799 12.1799 13.8429 13.8429 18.6170 18.6170 k = 0.0580-0.1255 0.2996 ( 1738 PWs) bands (ev): -9.9778 -9.9778 -9.0433 -9.0433 2.8751 2.8751 3.0346 3.0346 4.2577 4.2577 4.4746 4.4746 4.6854 4.6854 5.0573 5.0573 5.2760 5.2760 6.0084 6.0084 6.1432 6.1432 6.3749 6.3749 6.5531 6.5531 6.8367 6.8367 7.2418 7.2418 8.0643 8.0643 8.0866 8.0866 9.6453 9.6453 12.1459 12.1459 13.7669 13.7669 18.5901 18.5901 k = 0.0536-0.1159 0.2996 ( 1738 PWs) bands (ev): -9.9922 -9.9922 -9.0473 -9.0473 2.8552 2.8552 3.0573 3.0573 4.2398 4.2398 4.4401 4.4401 4.6712 4.6712 5.0960 5.0960 5.2927 5.2927 6.0156 6.0156 6.1482 6.1482 6.3635 6.3635 6.5578 6.5578 6.8449 6.8449 7.2432 7.2432 8.0785 8.0785 8.0961 8.0961 9.6936 9.6936 12.1121 12.1121 13.6948 13.6948 18.5645 18.5645 k = 0.0491-0.1062 0.2996 ( 1736 PWs) bands (ev): -10.0056 -10.0056 -9.0509 -9.0509 2.8363 2.8363 3.0812 3.0812 4.2156 4.2156 4.4121 4.4121 4.6580 4.6580 5.1153 5.1153 5.3277 5.3277 6.0219 6.0219 6.1529 6.1529 6.3497 6.3497 6.5651 6.5651 6.8527 6.8527 7.2448 7.2448 8.0900 8.0900 8.1053 8.1053 9.7421 9.7421 12.0788 12.0788 13.6268 13.6268 18.5403 18.5403 k = 0.0446-0.0966 0.2996 ( 1738 PWs) bands (ev): -10.0179 -10.0179 -9.0543 -9.0543 2.8188 2.8188 3.1060 3.1060 4.1855 4.1855 4.3907 4.3907 4.6459 4.6459 5.1210 5.1210 5.3749 5.3749 6.0272 6.0272 6.1570 6.1570 6.3347 6.3347 6.5738 6.5738 6.8598 6.8598 7.2467 7.2467 8.0990 8.0990 8.1140 8.1140 9.7901 9.7901 12.0462 12.0462 13.5633 13.5633 18.5177 18.5177 k = 0.0402-0.0869 0.2996 ( 1732 PWs) bands (ev): -10.0290 -10.0290 -9.0573 -9.0573 2.8027 2.8027 3.1314 3.1314 4.1511 4.1511 4.3747 4.3747 4.6349 4.6349 5.1201 5.1201 5.4268 5.4268 6.0315 6.0315 6.1609 6.1609 6.3192 6.3192 6.5831 6.5831 6.8662 6.8662 7.2489 7.2489 8.1063 8.1063 8.1218 8.1218 9.8369 9.8369 12.0148 12.0148 13.5046 13.5046 18.4970 18.4970 k = 0.0357-0.0773 0.2996 ( 1732 PWs) bands (ev): -10.0391 -10.0391 -9.0601 -9.0601 2.7882 2.7882 3.1568 3.1568 4.1146 4.1146 4.3628 4.3628 4.6250 4.6250 5.1164 5.1164 5.4789 5.4789 6.0346 6.0346 6.1645 6.1645 6.3038 6.3038 6.5923 6.5923 6.8715 6.8715 7.2514 7.2514 8.1123 8.1123 8.1286 8.1286 9.8817 9.8817 11.9847 11.9847 13.4511 13.4511 18.4781 18.4781 k = 0.0313-0.0676 0.2996 ( 1734 PWs) bands (ev): -10.0480 -10.0480 -9.0626 -9.0626 2.7752 2.7752 3.1819 3.1819 4.0777 4.0777 4.3537 4.3537 4.6162 4.6162 5.1118 5.1118 5.5288 5.5288 6.0365 6.0365 6.1681 6.1681 6.2889 6.2889 6.6010 6.6010 6.8758 6.8758 7.2542 7.2542 8.1173 8.1173 8.1342 8.1342 9.9237 9.9237 11.9566 11.9566 13.4031 13.4031 18.4612 18.4612 k = 0.0268-0.0579 0.2996 ( 1734 PWs) bands (ev): -10.0558 -10.0558 -9.0647 -9.0647 2.7639 2.7639 3.2061 3.2061 4.0421 4.0421 4.3466 4.3466 4.6086 4.6086 5.1073 5.1073 5.5751 5.5751 6.0371 6.0371 6.1718 6.1718 6.2746 6.2746 6.6090 6.6090 6.8790 6.8790 7.2572 7.2572 8.1214 8.1214 8.1389 8.1389 9.9621 9.9621 11.9308 11.9308 13.3607 13.3607 18.4464 18.4464 k = 0.0223-0.0483 0.2996 ( 1734 PWs) bands (ev): -10.0624 -10.0624 -9.0666 -9.0666 2.7543 2.7543 3.2288 3.2288 4.0090 4.0090 4.3410 4.3410 4.6021 4.6021 5.1033 5.1033 5.6168 5.6168 6.0365 6.0365 6.1758 6.1758 6.2611 6.2611 6.6160 6.6160 6.8814 6.8814 7.2602 7.2602 8.1247 8.1247 8.1426 8.1426 9.9962 9.9962 11.9078 11.9078 13.3244 13.3244 18.4337 18.4337 k = 0.0179-0.0386 0.2996 ( 1734 PWs) bands (ev): -10.0678 -10.0678 -9.0681 -9.0681 2.7464 2.7464 3.2493 3.2493 3.9796 3.9796 4.3366 4.3366 4.5968 4.5968 5.0998 5.0998 5.6529 5.6529 6.0349 6.0349 6.1804 6.1804 6.2484 6.2484 6.6220 6.6220 6.8830 6.8830 7.2630 7.2630 8.1274 8.1274 8.1454 8.1454 10.0253 10.0253 11.8881 11.8881 13.2944 13.2944 18.4233 18.4233 k = 0.0134-0.0290 0.2996 ( 1738 PWs) bands (ev): -10.0721 -10.0721 -9.0693 -9.0693 2.7403 2.7403 3.2667 3.2667 3.9550 3.9550 4.3333 4.3333 4.5926 4.5926 5.0970 5.0970 5.6825 5.6825 6.0325 6.0325 6.1857 6.1857 6.2366 6.2366 6.6268 6.6268 6.8839 6.8839 7.2654 7.2654 8.1293 8.1293 8.1475 8.1475 10.0488 10.0488 11.8722 11.8722 13.2708 13.2708 18.4151 18.4151 k = 0.0089-0.0193 0.2996 ( 1736 PWs) bands (ev): -10.0751 -10.0751 -9.0701 -9.0701 2.7359 2.7359 3.2801 3.2801 3.9365 3.9365 4.3310 4.3310 4.5897 4.5897 5.0951 5.0951 5.7047 5.7047 6.0301 6.0301 6.1918 6.1918 6.2258 6.2258 6.6304 6.6304 6.8845 6.8845 7.2672 7.2672 8.1308 8.1308 8.1489 8.1489 10.0660 10.0660 11.8605 11.8605 13.2538 13.2538 18.4092 18.4092 k = 0.0045-0.0097 0.2996 ( 1736 PWs) bands (ev): -10.0769 -10.0769 -9.0706 -9.0706 2.7332 2.7332 3.2885 3.2885 3.9249 3.9249 4.3296 4.3296 4.5879 4.5879 5.0939 5.0939 5.7186 5.7186 6.0283 6.0283 6.1987 6.1987 6.2159 6.2159 6.6325 6.6325 6.8847 6.8847 7.2684 7.2684 8.1316 8.1316 8.1498 8.1498 10.0765 10.0765 11.8534 11.8534 13.2436 13.2436 18.4057 18.4057 k = 0.0000 0.0000 0.2996 ( 1742 PWs) bands (ev): -10.0775 -10.0775 -9.0708 -9.0708 2.7323 2.7323 3.2913 3.2913 3.9209 3.9209 4.3292 4.3292 4.5873 4.5873 5.0935 5.0935 5.7232 5.7232 6.0275 6.0275 6.2052 6.2052 6.2084 6.2084 6.6331 6.6331 6.8848 6.8848 7.2688 7.2688 8.1319 8.1319 8.1501 8.1501 10.0800 10.0800 11.8509 11.8509 13.2402 13.2402 18.4045 18.4045 k = 0.0000 0.0000 0.2996 ( 1742 PWs) bands (ev): -10.0775 -10.0775 -9.0708 -9.0708 2.7323 2.7323 3.2913 3.2913 3.9209 3.9209 4.3292 4.3292 4.5873 4.5873 5.0935 5.0935 5.7232 5.7232 6.0275 6.0275 6.2052 6.2052 6.2084 6.2084 6.6331 6.6331 6.8848 6.8848 7.2688 7.2688 8.1319 8.1319 8.1501 8.1501 10.0800 10.0800 11.8509 11.8509 13.2402 13.2402 18.4045 18.4045 k = 0.0095 0.0044 0.2996 ( 1738 PWs) bands (ev): -10.0773 -10.0773 -9.0706 -9.0706 2.7317 2.7317 3.2913 3.2913 3.9213 3.9213 4.3270 4.3270 4.5881 4.5881 5.0943 5.0943 5.7235 5.7235 6.0273 6.0273 6.2041 6.2041 6.2099 6.2099 6.6330 6.6330 6.8861 6.8861 7.2686 7.2686 8.1308 8.1308 8.1484 8.1484 10.0801 10.0801 11.8520 11.8520 13.2435 13.2435 18.4050 18.4050 k = 0.0190 0.0088 0.2996 ( 1737 PWs) bands (ev): -10.0764 -10.0764 -9.0700 -9.0700 2.7298 2.7298 3.2911 3.2911 3.9223 3.9223 4.3207 4.3207 4.5902 4.5902 5.0966 5.0966 5.7243 5.7243 6.0266 6.0266 6.2023 6.2023 6.2126 6.2126 6.6327 6.6327 6.8900 6.8900 7.2679 7.2679 8.1276 8.1276 8.1435 8.1435 10.0804 10.0804 11.8550 11.8550 13.2536 13.2536 18.4063 18.4063 k = 0.0284 0.0131 0.2996 ( 1741 PWs) bands (ev): -10.0751 -10.0751 -9.0691 -9.0691 2.7266 2.7266 3.2908 3.2908 3.9239 3.9239 4.3108 4.3108 4.5934 4.5934 5.1004 5.1004 5.7256 5.7256 6.0254 6.0254 6.2007 6.2007 6.2157 6.2157 6.6320 6.6320 6.8964 6.8964 7.2668 7.2668 8.1218 8.1218 8.1360 8.1360 10.0810 10.0810 11.8601 11.8601 13.2703 13.2703 18.4085 18.4085 k = 0.0379 0.0175 0.2996 ( 1740 PWs) bands (ev): -10.0732 -10.0732 -9.0678 -9.0678 2.7222 2.7222 3.2904 3.2904 3.9256 3.9256 4.2983 4.2983 4.5972 4.5972 5.1055 5.1055 5.7275 5.7275 6.0239 6.0239 6.1993 6.1993 6.2193 6.2193 6.6311 6.6311 6.9053 6.9053 7.2653 7.2653 8.1124 8.1124 8.1270 8.1270 10.0817 10.0817 11.8672 11.8672 13.2935 13.2935 18.4116 18.4116 k = 0.0474 0.0219 0.2996 ( 1740 PWs) bands (ev): -10.0707 -10.0707 -9.0661 -9.0661 2.7165 2.7165 3.2898 3.2898 3.9270 3.9270 4.2845 4.2845 4.6011 4.6011 5.1114 5.1114 5.7298 5.7298 6.0221 6.0221 6.1982 6.1982 6.2232 6.2232 6.6301 6.6301 6.9165 6.9165 7.2634 7.2634 8.0986 8.0986 8.1175 8.1175 10.0826 10.0826 11.8761 11.8761 13.3230 13.3230 18.4154 18.4154 k = 0.0569 0.0263 0.2996 ( 1736 PWs) bands (ev): -10.0678 -10.0678 -9.0641 -9.0641 2.7097 2.7097 3.2893 3.2893 3.9275 3.9275 4.2703 4.2703 4.6047 4.6047 5.1181 5.1181 5.7326 5.7326 6.0201 6.0201 6.1974 6.1974 6.2275 6.2275 6.6291 6.6291 6.9300 6.9300 7.2611 7.2611 8.0805 8.0805 8.1077 8.1077 10.0838 10.0838 11.8869 11.8869 13.3587 13.3587 18.4200 18.4200 k = 0.0663 0.0307 0.2996 ( 1733 PWs) bands (ev): -10.0643 -10.0643 -9.0617 -9.0617 2.7019 2.7019 3.2886 3.2886 3.9262 3.9262 4.2571 4.2571 4.6078 4.6078 5.1251 5.1251 5.7359 5.7359 6.0180 6.0180 6.1968 6.1968 6.2322 6.2322 6.6280 6.6280 6.9457 6.9457 7.2583 7.2583 8.0589 8.0589 8.0971 8.0971 10.0851 10.0851 11.8994 11.8994 13.4002 13.4002 18.4251 18.4251 k = 0.0758 0.0351 0.2996 ( 1733 PWs) bands (ev): -10.0603 -10.0603 -9.0590 -9.0590 2.6930 2.6930 3.2877 3.2877 3.9221 3.9221 4.2463 4.2463 4.6102 4.6102 5.1319 5.1319 5.7396 5.7396 6.0160 6.0160 6.1965 6.1965 6.2373 6.2373 6.6268 6.6268 6.9634 6.9634 7.2553 7.2553 8.0343 8.0343 8.0856 8.0856 10.0866 10.0866 11.9135 11.9135 13.4474 13.4474 18.4307 18.4307 k = 0.0853 0.0394 0.2996 ( 1735 PWs) bands (ev): -10.0558 -10.0558 -9.0559 -9.0559 2.6831 2.6831 3.2867 3.2867 3.9145 3.9145 4.2389 4.2389 4.6118 4.6118 5.1384 5.1384 5.7438 5.7438 6.0140 6.0140 6.1965 6.1965 6.2429 6.2429 6.6256 6.6256 6.9829 6.9829 7.2519 7.2519 8.0071 8.0071 8.0733 8.0733 10.0883 10.0883 11.9290 11.9290 13.4999 13.4999 18.4366 18.4366 k = 0.0948 0.0438 0.2996 ( 1733 PWs) bands (ev): -10.0508 -10.0508 -9.0525 -9.0525 2.6724 2.6724 3.2856 3.2856 3.9027 3.9027 4.2359 4.2359 4.6127 4.6127 5.1442 5.1442 5.7484 5.7484 6.0123 6.0123 6.1968 6.1968 6.2490 6.2490 6.6246 6.6246 7.0042 7.0042 7.2483 7.2483 7.9775 7.9775 8.0602 8.0602 10.0901 10.0901 11.9460 11.9460 13.5574 13.5574 18.4426 18.4426 k = 0.1043 0.0482 0.2996 ( 1733 PWs) bands (ev): -10.0453 -10.0453 -9.0488 -9.0488 2.6609 2.6609 3.2845 3.2845 3.8863 3.8863 4.2376 4.2376 4.6128 4.6128 5.1489 5.1489 5.7534 5.7534 6.0107 6.0107 6.1974 6.1974 6.2557 6.2557 6.6235 6.6235 7.0271 7.0271 7.2445 7.2445 7.9459 7.9459 8.0464 8.0464 10.0920 10.0920 11.9641 11.9641 13.6197 13.6197 18.4486 18.4486 k = 0.1137 0.0526 0.2996 ( 1732 PWs) bands (ev): -10.0394 -10.0394 -9.0449 -9.0449 2.6486 2.6486 3.2833 3.2833 3.8658 3.8658 4.2437 4.2437 4.6124 4.6124 5.1523 5.1523 5.7587 5.7587 6.0095 6.0095 6.1983 6.1983 6.2629 6.2629 6.6227 6.6227 7.0513 7.0513 7.2408 7.2408 7.9125 7.9125 8.0320 8.0320 10.0942 10.0942 11.9833 11.9833 13.6863 13.6863 18.4544 18.4544 k = 0.1232 0.0570 0.2996 ( 1736 PWs) bands (ev): -10.0331 -10.0331 -9.0406 -9.0406 2.6356 2.6356 3.2819 3.2819 3.8414 3.8414 4.2539 4.2539 4.6114 4.6114 5.1543 5.1543 5.7645 5.7645 6.0084 6.0084 6.1994 6.1994 6.2708 6.2708 6.6219 6.6219 7.0765 7.0765 7.2372 7.2372 7.8777 7.8777 8.0174 8.0174 10.0964 10.0964 12.0035 12.0035 13.7571 13.7571 18.4595 18.4595 k = 0.1327 0.0613 0.2996 ( 1736 PWs) bands (ev): -10.0263 -10.0263 -9.0361 -9.0361 2.6221 2.6221 3.2805 3.2805 3.8141 3.8141 4.2673 4.2673 4.6101 4.6101 5.1547 5.1547 5.7706 5.7706 6.0076 6.0076 6.2009 6.2009 6.2793 6.2793 6.6213 6.6213 7.1021 7.1021 7.2344 7.2344 7.8417 7.8417 8.0025 8.0025 10.0987 10.0987 12.0245 12.0245 13.8316 13.8316 18.4638 18.4638 k = 0.1422 0.0657 0.2996 ( 1736 PWs) bands (ev): -10.0192 -10.0192 -9.0314 -9.0314 2.6081 2.6081 3.2791 3.2791 3.7843 3.7843 4.2832 4.2832 4.6086 4.6086 5.1534 5.1534 5.7770 5.7770 6.0070 6.0070 6.2028 6.2028 6.2884 6.2884 6.6209 6.6209 7.1270 7.1270 7.2335 7.2335 7.8048 7.8048 7.9875 7.9875 10.1011 10.1011 12.0462 12.0462 13.9095 13.9095 18.4668 18.4668 k = 0.1516 0.0701 0.2996 ( 1743 PWs) bands (ev): -10.0116 -10.0116 -9.0264 -9.0264 2.5936 2.5936 3.2775 3.2775 3.7527 3.7527 4.3008 4.3008 4.6071 4.6071 5.1504 5.1504 5.7837 5.7837 6.0065 6.0065 6.2048 6.2048 6.2982 6.2982 6.6206 6.6206 7.1488 7.1488 7.2366 7.2366 7.7674 7.7674 7.9724 7.9724 10.1035 10.1035 12.0684 12.0684 13.9905 13.9905 18.4682 18.4682 k = 0.1611 0.0745 0.2996 ( 1744 PWs) bands (ev): -10.0037 -10.0037 -9.0212 -9.0212 2.5788 2.5788 3.2759 3.2759 3.7197 3.7197 4.3192 4.3192 4.6062 4.6062 5.1460 5.1460 5.7906 5.7906 6.0061 6.0061 6.2072 6.2072 6.3087 6.3087 6.6206 6.6206 7.1636 7.1636 7.2475 7.2475 7.7297 7.7297 7.9577 7.9577 10.1060 10.1060 12.0913 12.0913 14.0744 14.0744 18.4675 18.4675 k = 0.1706 0.0789 0.2996 ( 1744 PWs) bands (ev): -9.9955 -9.9955 -9.0158 -9.0158 2.5637 2.5637 3.2742 3.2742 3.6859 3.6859 4.3376 4.3376 4.6059 4.6059 5.1401 5.1401 5.7979 5.7979 6.0058 6.0058 6.2099 6.2099 6.3198 6.3198 6.6209 6.6209 7.1697 7.1697 7.2678 7.2678 7.6920 7.6920 7.9432 7.9432 10.1086 10.1086 12.1145 12.1145 14.1608 14.1608 18.4639 18.4639 k = 0.1801 0.0833 0.2996 ( 1740 PWs) bands (ev): -9.9870 -9.9870 -9.0103 -9.0103 2.5483 2.5483 3.2725 3.2725 3.6514 3.6514 4.3552 4.3552 4.6068 4.6068 5.1331 5.1331 5.8053 5.8053 6.0054 6.0054 6.2129 6.2129 6.3314 6.3314 6.6215 6.6215 7.1694 7.1694 7.2950 7.2950 7.6550 7.6550 7.9292 7.9292 10.1111 10.1111 12.1381 12.1381 14.2494 14.2494 18.4570 18.4570 k = 0.1896 0.0876 0.2996 ( 1743 PWs) bands (ev): -9.9781 -9.9781 -9.0046 -9.0046 2.5328 2.5328 3.2707 3.2707 3.6166 3.6166 4.3710 4.3710 4.6093 4.6093 5.1253 5.1253 5.8129 5.8129 6.0050 6.0050 6.2160 6.2160 6.3435 6.3435 6.6223 6.6223 7.1656 7.1656 7.3254 7.3254 7.6190 7.6190 7.9156 7.9156 10.1137 10.1137 12.1620 12.1620 14.3399 14.3399 18.4457 18.4457 k = 0.1990 0.0920 0.2996 ( 1745 PWs) bands (ev): -9.9691 -9.9691 -8.9988 -8.9988 2.5173 2.5173 3.2688 3.2688 3.5818 3.5818 4.3844 4.3844 4.6136 4.6136 5.1169 5.1169 5.8206 5.8206 6.0044 6.0044 6.2193 6.2193 6.3560 6.3560 6.6235 6.6235 7.1599 7.1599 7.3567 7.3567 7.5852 7.5852 7.9026 7.9026 10.1163 10.1163 12.1862 12.1862 14.4321 14.4321 18.4291 18.4291 k = 0.2085 0.0964 0.2996 ( 1745 PWs) bands (ev): -9.9598 -9.9598 -8.9929 -8.9929 2.5016 2.5016 3.2669 3.2669 3.5471 3.5471 4.3945 4.3945 4.6199 4.6199 5.1085 5.1085 5.8285 5.8285 6.0039 6.0039 6.2229 6.2229 6.3689 6.3689 6.6250 6.6250 7.1530 7.1530 7.3857 7.3857 7.5561 7.5561 7.8904 7.8904 10.1188 10.1188 12.2108 12.2108 14.5258 14.5258 18.4057 18.4057 k = 0.2180 0.1008 0.2996 ( 1747 PWs) bands (ev): -9.9503 -9.9503 -8.9869 -8.9869 2.4860 2.4860 3.2650 3.2650 3.5127 3.5127 4.4012 4.4012 4.6280 4.6280 5.1007 5.1007 5.8363 5.8363 6.0032 6.0032 6.2264 6.2264 6.3818 6.3818 6.6269 6.6269 7.1452 7.1452 7.4065 7.4065 7.5372 7.5372 7.8790 7.8790 10.1213 10.1213 12.2356 12.2356 14.6205 14.6205 18.3738 18.3738 k = 0.2275 0.1052 0.2996 ( 1747 PWs) bands (ev): -9.9407 -9.9407 -8.9809 -8.9809 2.4705 2.4705 3.2631 3.2631 3.4789 3.4789 4.4043 4.4043 4.6371 4.6371 5.0940 5.0940 5.8441 5.8441 6.0026 6.0026 6.2300 6.2300 6.3950 6.3950 6.6293 6.6293 7.1367 7.1367 7.4093 7.4093 7.5380 7.5380 7.8686 7.8686 10.1237 10.1237 12.2608 12.2608 14.7161 14.7161 18.3313 18.3313 k = 0.2369 0.1095 0.2996 ( 1752 PWs) bands (ev): -9.9309 -9.9309 -8.9748 -8.9748 2.4551 2.4551 3.2611 3.2611 3.4456 3.4456 4.4043 4.4043 4.6463 4.6463 5.0891 5.0891 5.8518 5.8518 6.0021 6.0021 6.2337 6.2337 6.4081 6.4081 6.6319 6.6319 7.1277 7.1277 7.3937 7.3937 7.5586 7.5586 7.8595 7.8595 10.1260 10.1260 12.2865 12.2865 14.8124 14.8124 18.2756 18.2756 k = 0.2464 0.1139 0.2996 ( 1752 PWs) bands (ev): -9.9210 -9.9210 -8.9687 -8.9687 2.4400 2.4400 3.2591 3.2591 3.4132 3.4132 4.4014 4.4014 4.6544 4.6544 5.0867 5.0867 5.8594 5.8594 6.0016 6.0016 6.2374 6.2374 6.4211 6.4211 6.6351 6.6351 7.1181 7.1181 7.3693 7.3693 7.5890 7.5890 7.8521 7.8521 10.1283 10.1283 12.3126 12.3126 14.9090 14.9090 18.2042 18.2042 k = 0.2559 0.1183 0.2996 ( 1751 PWs) bands (ev): -9.9111 -9.9111 -8.9626 -8.9626 2.4250 2.4250 3.2570 3.2570 3.3818 3.3818 4.3963 4.3963 4.6604 4.6604 5.0874 5.0874 5.8668 5.8668 6.0014 6.0014 6.2411 6.2411 6.4340 6.4340 6.6387 6.6387 7.1081 7.1081 7.3423 7.3423 7.6224 7.6224 7.8472 7.8472 10.1305 10.1305 12.3393 12.3393 15.0057 15.0057 18.1154 18.1154 k = 0.2654 0.1227 0.2996 ( 1752 PWs) bands (ev): -9.9011 -9.9011 -8.9566 -8.9566 2.4104 2.4104 3.2547 3.2547 3.3515 3.3515 4.3893 4.3893 4.6634 4.6634 5.0915 5.0915 5.8739 5.8739 6.0014 6.0014 6.2448 6.2448 6.4466 6.4466 6.6427 6.6427 7.0975 7.0975 7.3150 7.3150 7.6548 7.6548 7.8463 7.8463 10.1325 10.1325 12.3667 12.3667 15.1023 15.1023 18.0091 18.0091 k = 0.2749 0.1271 0.2996 ( 1750 PWs) bands (ev): -9.8912 -9.8912 -8.9506 -8.9506 2.3961 2.3961 3.2522 3.2522 3.3225 3.3225 4.3807 4.3807 4.6630 4.6630 5.0991 5.0991 5.8808 5.8808 6.0018 6.0018 6.2485 6.2485 6.4589 6.4589 6.6471 6.6471 7.0865 7.0865 7.2887 7.2887 7.6831 7.6831 7.8514 7.8514 10.1345 10.1345 12.3950 12.3950 15.1986 15.1986 17.8870 17.8870 k = 0.2843 0.1315 0.2996 ( 1752 PWs) bands (ev): -9.8813 -9.8813 -8.9447 -8.9447 2.3822 2.3822 3.2491 3.2491 3.2955 3.2955 4.3708 4.3708 4.6590 4.6590 5.1099 5.1099 5.8874 5.8874 6.0026 6.0026 6.2520 6.2520 6.4709 6.4709 6.6518 6.6518 7.0749 7.0749 7.2636 7.2636 7.7038 7.7038 7.8652 7.8652 10.1363 10.1363 12.4242 12.4242 15.2942 15.2942 17.7519 17.7519 k = 0.2938 0.1358 0.2996 ( 1754 PWs) bands (ev): -9.8715 -9.8715 -8.9389 -8.9389 2.3687 2.3687 3.2435 3.2435 3.2722 3.2722 4.3597 4.3597 4.6517 4.6517 5.1235 5.1235 5.8936 5.8936 6.0040 6.0040 6.2555 6.2555 6.4825 6.4825 6.6569 6.6569 7.0629 7.0629 7.2402 7.2402 7.7156 7.7156 7.8889 7.8889 10.1380 10.1380 12.4546 12.4546 15.3889 15.3889 17.6071 17.6071 k = 0.3033 0.1402 0.2996 ( 1754 PWs) bands (ev): -9.8618 -9.8618 -8.9331 -8.9331 2.3557 2.3557 3.2307 3.2307 3.2576 3.2576 4.3477 4.3477 4.6415 4.6415 5.1391 5.1391 5.8994 5.8994 6.0061 6.0061 6.2591 6.2591 6.4936 6.4936 6.6624 6.6624 7.0506 7.0506 7.2186 7.2186 7.7198 7.7198 7.9207 7.9207 10.1396 10.1396 12.4864 12.4864 15.4825 15.4825 17.4556 17.4556 k = 0.3128 0.1446 0.2996 ( 1760 PWs) bands (ev): -9.8523 -9.8523 -8.9276 -8.9276 2.3432 2.3432 3.2107 3.2107 3.2517 3.2517 4.3347 4.3347 4.6290 4.6290 5.1560 5.1560 5.9047 5.9047 6.0088 6.0088 6.2624 6.2624 6.5042 6.5042 6.6680 6.6680 7.0381 7.0381 7.1989 7.1989 7.7189 7.7189 7.9578 7.9578 10.1409 10.1409 12.5196 12.5196 15.5747 15.5747 17.2999 17.2999 k = 0.3223 0.1490 0.2996 ( 1760 PWs) bands (ev): -9.8430 -9.8430 -8.9221 -8.9221 2.3313 2.3313 3.1896 3.1896 3.2485 3.2485 4.3209 4.3209 4.6148 4.6148 5.1736 5.1736 5.9097 5.9097 6.0124 6.0124 6.2657 6.2657 6.5144 6.5144 6.6739 6.6739 7.0255 7.0255 7.1810 7.1810 7.7150 7.7150 7.9981 7.9981 10.1422 10.1422 12.5545 12.5545 15.6652 15.6652 17.1419 17.1419 k = 0.3317 0.1534 0.2996 ( 1765 PWs) bands (ev): -9.8339 -9.8339 -8.9169 -8.9169 2.3199 2.3199 3.1694 3.1694 3.2461 3.2461 4.3064 4.3064 4.5993 4.5993 5.1911 5.1911 5.9141 5.9141 6.0168 6.0168 6.2690 6.2690 6.5240 6.5240 6.6799 6.6799 7.0132 7.0132 7.1648 7.1648 7.7091 7.7091 8.0402 8.0402 10.1432 10.1432 12.5913 12.5913 15.7536 15.7536 16.9830 16.9830 k = 0.3412 0.1577 0.2996 ( 1774 PWs) bands (ev): -9.8251 -9.8251 -8.9118 -8.9118 2.3091 2.3091 3.1505 3.1505 3.2441 3.2441 4.2911 4.2911 4.5830 4.5830 5.2081 5.2081 5.9181 5.9181 6.0220 6.0220 6.2722 6.2722 6.5329 6.5329 6.6859 6.6859 7.0012 7.0012 7.1501 7.1501 7.7019 7.7019 8.0831 8.0831 10.1441 10.1441 12.6302 12.6302 15.8396 15.8396 16.8245 16.8245 k = 0.3507 0.1621 0.2996 ( 1770 PWs) bands (ev): -9.8166 -9.8166 -8.9068 -8.9068 2.2991 2.2991 3.1333 3.1333 3.2424 3.2424 4.2752 4.2752 4.5663 4.5663 5.2241 5.2241 5.9216 5.9216 6.0282 6.0282 6.2754 6.2754 6.5414 6.5414 6.6921 6.6921 6.9900 6.9900 7.1371 7.1371 7.6939 7.6939 8.1265 8.1265 10.1448 10.1448 12.6713 12.6713 15.9224 15.9224 16.6676 16.6676 k = 0.3602 0.1665 0.2996 ( 1772 PWs) bands (ev): -9.8085 -9.8085 -8.9021 -8.9021 2.2898 2.2898 3.1179 3.1179 3.2408 3.2408 4.2587 4.2587 4.5494 4.5494 5.2388 5.2388 5.9246 5.9246 6.0351 6.0351 6.2786 6.2786 6.5491 6.5491 6.6983 6.6983 6.9796 6.9796 7.1253 7.1253 7.6852 7.6852 8.1697 8.1697 10.1454 10.1454 12.7148 12.7148 16.0006 16.0006 16.5142 16.5142 k = 0.3696 0.1709 0.2996 ( 1775 PWs) bands (ev): -9.8008 -9.8008 -8.8976 -8.8976 2.2812 2.2812 3.1042 3.1042 3.2394 3.2394 4.2416 4.2416 4.5326 4.5326 5.2519 5.2519 5.9271 5.9271 6.0428 6.0428 6.2817 6.2817 6.5560 6.5560 6.7044 6.7044 6.9703 6.9703 7.1146 7.1146 7.6759 7.6759 8.2127 8.2127 10.1459 10.1459 12.7610 12.7610 16.0691 16.0691 16.3697 16.3697 k = 0.3791 0.1753 0.2996 ( 1778 PWs) bands (ev): -9.7935 -9.7935 -8.8933 -8.8933 2.2734 2.2734 3.0924 3.0924 3.2380 3.2380 4.2240 4.2240 4.5161 4.5161 5.2634 5.2634 5.9291 5.9291 6.0511 6.0511 6.2847 6.2847 6.5621 6.5621 6.7104 6.7104 6.9621 6.9621 7.1051 7.1051 7.6661 7.6661 8.2551 8.2551 10.1462 10.1462 12.8099 12.8099 16.0964 16.0964 16.2656 16.2656 k = 0.3886 0.1797 0.2996 ( 1776 PWs) bands (ev): -9.7866 -9.7866 -8.8893 -8.8893 2.2664 2.2664 3.0826 3.0826 3.2368 3.2368 4.2060 4.2060 4.5002 4.5002 5.2731 5.2731 5.9307 5.9307 6.0599 6.0599 6.2879 6.2879 6.5674 6.5674 6.7164 6.7164 6.9551 6.9551 7.0967 7.0967 7.6558 7.6558 8.2967 8.2967 10.1463 10.1463 12.8617 12.8617 16.0088 16.0088 16.2759 16.2759 k = 0.3981 0.1840 0.2996 ( 1778 PWs) bands (ev): -9.7803 -9.7803 -8.8854 -8.8854 2.2602 2.2602 3.0747 3.0747 3.2356 3.2356 4.1876 4.1876 4.4848 4.4848 5.2810 5.2810 5.9318 5.9318 6.0690 6.0690 6.2909 6.2909 6.5718 6.5718 6.7222 6.7222 6.9494 6.9494 7.0892 7.0892 7.6450 7.6450 8.3374 8.3374 10.1463 10.1463 12.9165 12.9165 15.8740 15.8740 16.3328 16.3328 k = 0.4076 0.1884 0.2996 ( 1776 PWs) bands (ev): -9.7745 -9.7745 -8.8818 -8.8818 2.2549 2.2549 3.0688 3.0688 3.2345 3.2345 4.1689 4.1689 4.4700 4.4700 5.2872 5.2872 5.9325 5.9325 6.0782 6.0782 6.2939 6.2939 6.5754 6.5754 6.7278 6.7278 6.9449 6.9449 7.0827 7.0827 7.6338 7.6338 8.3771 8.3771 10.1461 10.1461 12.9745 12.9745 15.7336 15.7336 16.3950 16.3950 k = 0.4170 0.1928 0.2996 ( 1774 PWs) bands (ev): -9.7692 -9.7692 -8.8784 -8.8784 2.2504 2.2504 3.0649 3.0649 3.2336 3.2336 4.1501 4.1501 4.4560 4.4560 5.2919 5.2919 5.9329 5.9329 6.0873 6.0873 6.2968 6.2968 6.5780 6.5780 6.7333 6.7333 6.9415 6.9415 7.0771 7.0771 7.6222 7.6222 8.4155 8.4155 10.1458 10.1458 13.0356 13.0356 15.5939 15.5939 16.4560 16.4560 k = 0.4265 0.1972 0.2996 ( 1774 PWs) bands (ev): -9.7646 -9.7646 -8.8753 -8.8753 2.2469 2.2469 3.0630 3.0630 3.2327 3.2327 4.1311 4.1311 4.4427 4.4427 5.2950 5.2950 5.9329 5.9329 6.0961 6.0961 6.2997 6.2997 6.5798 6.5798 6.7384 6.7384 6.9392 6.9392 7.0724 7.0724 7.6103 7.6103 8.4526 8.4526 10.1454 10.1454 13.0999 13.0999 15.4566 15.4566 16.5143 16.5143 k = 0.4360 0.2016 0.2996 ( 1770 PWs) bands (ev): -9.7606 -9.7606 -8.8724 -8.8724 2.2442 2.2442 3.0631 3.0631 3.2320 3.2320 4.1122 4.1122 4.4301 4.4301 5.2969 5.2969 5.9327 5.9327 6.1043 6.1043 6.3025 6.3025 6.5808 6.5808 6.7432 6.7432 6.9379 6.9379 7.0687 7.0687 7.5981 7.5981 8.4882 8.4882 10.1448 10.1448 13.1672 13.1672 15.3225 15.3225 16.5694 16.5694 k = 0.4455 0.2059 0.2996 ( 1768 PWs) bands (ev): -9.7572 -9.7572 -8.8697 -8.8697 2.2424 2.2424 3.0653 3.0653 3.2314 3.2314 4.0934 4.0934 4.4183 4.4183 5.2975 5.2975 5.9321 5.9321 6.1119 6.1119 6.3053 6.3053 6.5811 6.5811 6.7475 6.7475 6.9375 6.9375 7.0658 7.0658 7.5856 7.5856 8.5222 8.5222 10.1441 10.1441 13.2375 13.2375 15.1921 15.1921 16.6208 16.6208 k = 0.4549 0.2103 0.2996 ( 1767 PWs) bands (ev): -9.7545 -9.7545 -8.8673 -8.8673 2.2414 2.2414 3.0695 3.0695 3.2308 3.2308 4.0748 4.0748 4.4071 4.4071 5.2971 5.2971 5.9314 5.9314 6.1186 6.1186 6.3079 6.3079 6.5807 6.5807 6.7513 6.7513 6.9378 6.9378 7.0638 7.0638 7.5728 7.5728 8.5545 8.5545 10.1433 10.1433 13.3105 13.3105 15.0657 15.0657 16.6686 16.6686 k = 0.4644 0.2147 0.2996 ( 1769 PWs) bands (ev): -9.7526 -9.7526 -8.8650 -8.8650 2.2413 2.2413 3.0757 3.0757 3.2303 3.2303 4.0564 4.0564 4.3967 4.3967 5.2958 5.2958 5.9305 5.9305 6.1243 6.1243 6.3104 6.3104 6.5797 6.5797 6.7543 6.7543 6.9389 6.9389 7.0624 7.0624 7.5600 7.5600 8.5851 8.5851 10.1425 10.1425 13.3856 13.3856 14.9442 14.9442 16.7126 16.7126 k = 0.5000 0.2312-0.1788 ( 1766 PWs) bands (ev): -9.7619 -9.7619 -8.8470 -8.8470 2.1821 2.1821 3.2053 3.2053 3.3404 3.3404 3.7883 3.7883 4.4172 4.4172 5.8043 5.8043 5.8638 5.8638 6.2668 6.2668 6.3133 6.3133 6.3613 6.3613 6.5636 6.5636 6.7766 6.7766 6.8775 6.8775 7.4861 7.4861 8.6821 8.6821 10.2133 10.2133 13.9109 13.9109 14.6596 14.6596 16.9624 16.9624 k = 0.5044 0.2215-0.1788 ( 1764 PWs) bands (ev): -9.7614 -9.7614 -8.8469 -8.8469 2.1831 2.1831 3.2050 3.2050 3.3411 3.3411 3.7882 3.7882 4.4183 4.4183 5.8018 5.8018 5.8639 5.8639 6.2646 6.2646 6.3014 6.3014 6.3709 6.3709 6.5648 6.5648 6.7790 6.7790 6.8787 6.8787 7.4861 7.4861 8.6820 8.6820 10.2102 10.2102 13.9110 13.9110 14.6627 14.6627 16.9626 16.9626 k = 0.5089 0.2119-0.1788 ( 1764 PWs) bands (ev): -9.7599 -9.7599 -8.8466 -8.8466 2.1861 2.1861 3.2038 3.2038 3.3432 3.3432 3.7880 3.7880 4.4213 4.4213 5.7946 5.7946 5.8639 5.8639 6.2512 6.2512 6.2856 6.2856 6.3870 6.3870 6.5681 6.5681 6.7860 6.7860 6.8825 6.8825 7.4860 7.4860 8.6816 8.6816 10.2009 10.2009 13.9116 13.9116 14.6719 14.6719 16.9633 16.9633 k = 0.5133 0.2023-0.1788 ( 1768 PWs) bands (ev): -9.7574 -9.7574 -8.8462 -8.8462 2.1911 2.1911 3.2018 3.2018 3.3468 3.3468 3.7876 3.7876 4.4263 4.4263 5.7835 5.7835 5.8627 5.8627 6.2210 6.2210 6.2809 6.2809 6.4013 6.4013 6.5732 6.5732 6.7968 6.7968 6.8890 6.8890 7.4859 7.4859 8.6809 8.6809 10.1855 10.1855 13.9124 13.9124 14.6872 14.6872 16.9644 16.9644 k = 0.5178 0.1927-0.1788 ( 1770 PWs) bands (ev): -9.7540 -9.7540 -8.8455 -8.8455 2.1982 2.1982 3.1993 3.1993 3.3518 3.3518 3.7871 3.7871 4.4333 4.4333 5.7691 5.7691 5.8592 5.8592 6.1839 6.1839 6.2807 6.2807 6.4130 6.4130 6.5794 6.5794 6.8104 6.8104 6.8983 6.8983 7.4858 7.4858 8.6799 8.6799 10.1643 10.1643 13.9136 13.9136 14.7083 14.7083 16.9659 16.9659 k = 0.5222 0.1831-0.1788 ( 1772 PWs) bands (ev): -9.7495 -9.7495 -8.8448 -8.8448 2.2071 2.2071 3.1960 3.1960 3.3583 3.3583 3.7864 3.7864 4.4418 4.4418 5.7518 5.7518 5.8520 5.8520 6.1453 6.1453 6.2817 6.2817 6.4221 6.4221 6.5863 6.5863 6.8258 6.8258 6.9107 6.9107 7.4858 7.4858 8.6787 8.6787 10.1375 10.1375 13.9151 13.9151 14.7352 14.7352 16.9679 16.9679 k = 0.5266 0.1735-0.1788 ( 1766 PWs) bands (ev): -9.7441 -9.7441 -8.8438 -8.8438 2.2182 2.2182 3.1920 3.1920 3.3663 3.3663 3.7856 3.7856 4.4520 4.4520 5.7318 5.7318 5.8398 5.8398 6.1084 6.1084 6.2830 6.2830 6.4293 6.4293 6.5935 6.5935 6.8426 6.8426 6.9260 6.9260 7.4856 7.4856 8.6771 8.6771 10.1054 10.1054 13.9170 13.9170 14.7674 14.7674 16.9704 16.9704 k = 0.5311 0.1639-0.1788 ( 1770 PWs) bands (ev): -9.7378 -9.7378 -8.8427 -8.8427 2.2311 2.2311 3.1875 3.1875 3.3756 3.3756 3.7847 3.7847 4.4633 4.4633 5.7089 5.7089 5.8210 5.8210 6.0760 6.0760 6.2840 6.2840 6.4349 6.4349 6.6006 6.6006 6.8604 6.8604 6.9435 6.9435 7.4855 7.4855 8.6750 8.6750 10.0684 10.0684 13.9193 13.9193 14.8048 14.8048 16.9734 16.9734 k = 0.5355 0.1543-0.1788 ( 1762 PWs) bands (ev): -9.7305 -9.7305 -8.8414 -8.8414 2.2460 2.2460 3.1826 3.1826 3.3864 3.3864 3.7837 3.7837 4.4756 4.4756 5.6828 5.6828 5.7954 5.7954 6.0501 6.0501 6.2845 6.2845 6.4395 6.4395 6.6077 6.6077 6.8795 6.8795 6.9629 6.9629 7.4853 7.4853 8.6726 8.6726 10.0270 10.0270 13.9219 13.9219 14.8470 14.8470 16.9768 16.9768 k = 0.5400 0.1447-0.1788 ( 1764 PWs) bands (ev): -9.7223 -9.7223 -8.8399 -8.8399 2.2628 2.2628 3.1770 3.1770 3.3985 3.3985 3.7826 3.7826 4.4882 4.4882 5.6528 5.6528 5.7639 5.7639 6.0311 6.0311 6.2839 6.2839 6.4432 6.4432 6.6144 6.6144 6.8997 6.8997 6.9834 6.9834 7.4851 7.4851 8.6696 8.6696 9.9814 9.9814 13.9250 13.9250 14.8937 14.8937 16.9808 16.9808 k = 0.5444 0.1351-0.1788 ( 1762 PWs) bands (ev): -9.7133 -9.7133 -8.8383 -8.8383 2.2815 2.2815 3.1711 3.1711 3.4120 3.4120 3.7814 3.7814 4.5006 4.5006 5.6183 5.6183 5.7294 5.7294 6.0181 6.0181 6.2820 6.2820 6.4465 6.4465 6.6211 6.6211 6.9211 6.9211 7.0048 7.0048 7.4849 7.4849 8.6661 8.6661 9.9323 9.9323 13.9284 13.9284 14.9445 14.9445 16.9853 16.9853 k = 0.5488 0.1255-0.1788 ( 1758 PWs) bands (ev): -9.7033 -9.7033 -8.8365 -8.8365 2.3020 2.3020 3.1649 3.1649 3.4269 3.4269 3.7802 3.7802 4.5121 4.5121 5.5789 5.5789 5.6948 5.6948 6.0097 6.0097 6.2784 6.2784 6.4497 6.4497 6.6278 6.6278 6.9430 6.9430 7.0270 7.0270 7.4847 7.4847 8.6621 8.6621 9.8800 9.8800 13.9323 13.9323 14.9991 14.9991 16.9903 16.9903 k = 0.5533 0.1159-0.1788 ( 1758 PWs) bands (ev): -9.6926 -9.6926 -8.8346 -8.8346 2.3243 2.3243 3.1585 3.1585 3.4431 3.4431 3.7790 3.7790 4.5215 4.5215 5.5356 5.5356 5.6620 5.6620 6.0045 6.0045 6.2730 6.2730 6.4526 6.4526 6.6349 6.6349 6.9648 6.9648 7.0503 7.0503 7.4844 7.4844 8.6574 8.6574 9.8253 9.8253 13.9366 13.9366 15.0571 15.0571 16.9960 16.9960 k = 0.5577 0.1063-0.1788 ( 1760 PWs) bands (ev): -9.6810 -9.6810 -8.8326 -8.8326 2.3485 2.3485 3.1520 3.1520 3.4606 3.4606 3.7779 3.7779 4.5276 4.5276 5.4904 5.4904 5.6313 5.6313 6.0013 6.0013 6.2656 6.2656 6.4553 6.4553 6.6427 6.6427 6.9855 6.9855 7.0749 7.0749 7.4842 7.4842 8.6520 8.6520 9.7684 9.7684 13.9415 13.9415 15.1181 15.1181 17.0022 17.0022 k = 0.5622 0.0967-0.1788 ( 1758 PWs) bands (ev): -9.6687 -9.6687 -8.8304 -8.8304 2.3743 2.3743 3.1454 3.1454 3.4793 3.4793 3.7767 3.7767 4.5290 4.5290 5.4460 5.4460 5.6027 5.6027 5.9997 5.9997 6.2563 6.2563 6.4578 6.4578 6.6517 6.6517 7.0044 7.0044 7.1014 7.1014 7.4840 7.4840 8.6459 8.6459 9.7102 9.7102 13.9468 13.9468 15.1819 15.1819 17.0092 17.0092 k = 0.5666 0.0871-0.1788 ( 1762 PWs) bands (ev): -9.6556 -9.6556 -8.8282 -8.8282 2.4019 2.4019 3.1389 3.1389 3.4993 3.4993 3.7756 3.7756 4.5241 4.5241 5.4045 5.4045 5.5760 5.5760 5.9991 5.9991 6.2453 6.2453 6.4597 6.4597 6.6617 6.6617 7.0208 7.0208 7.1297 7.1297 7.4838 7.4838 8.6392 8.6392 9.6509 9.6509 13.9527 13.9527 15.2480 15.2480 17.0170 17.0170 k = 0.5710 0.0775-0.1788 ( 1758 PWs) bands (ev): -9.6418 -9.6418 -8.8258 -8.8258 2.4312 2.4312 3.1326 3.1326 3.5205 3.5205 3.7747 3.7747 4.5112 4.5112 5.3681 5.3681 5.5514 5.5514 5.9991 5.9991 6.2326 6.2326 6.4613 6.4613 6.6734 6.6734 7.0346 7.0346 7.1595 7.1595 7.4836 7.4836 8.6317 8.6317 9.5914 9.5914 13.9592 13.9592 15.3162 15.3162 17.0256 17.0256 k = 0.5755 0.0679-0.1788 ( 1758 PWs) bands (ev): -9.6273 -9.6273 -8.8233 -8.8233 2.4620 2.4620 3.1266 3.1266 3.5429 3.5429 3.7738 3.7738 4.4891 4.4891 5.3374 5.3374 5.5297 5.5297 5.9995 5.9995 6.2186 6.2186 6.4622 6.4622 6.6865 6.6865 7.0459 7.0459 7.1902 7.1902 7.4834 7.4834 8.6235 8.6235 9.5321 9.5321 13.9664 13.9664 15.3861 15.3861 17.0351 17.0351 k = 0.5799 0.0583-0.1788 ( 1760 PWs) bands (ev): -9.6122 -9.6122 -8.8207 -8.8207 2.4944 2.4944 3.1209 3.1209 3.5663 3.5663 3.7731 3.7731 4.4570 4.4570 5.3122 5.3122 5.5120 5.5120 6.0001 6.0001 6.2035 6.2035 6.4623 6.4623 6.7012 6.7012 7.0549 7.0549 7.2212 7.2212 7.4833 7.4833 8.6145 8.6145 9.4737 9.4737 13.9742 13.9742 15.4574 15.4574 17.0456 17.0456 k = 0.5844 0.0487-0.1788 ( 1760 PWs) bands (ev): -9.5966 -9.5966 -8.8180 -8.8180 2.5282 2.5282 3.1157 3.1157 3.5909 3.5909 3.7725 3.7725 4.4152 4.4152 5.2909 5.2909 5.5001 5.5001 6.0008 6.0008 6.1879 6.1879 6.4616 6.4616 6.7173 6.7173 7.0617 7.0617 7.2519 7.2519 7.4833 7.4833 8.6049 8.6049 9.4168 9.4168 13.9828 13.9828 15.5298 15.5298 17.0572 17.0572 k = 0.5888 0.0391-0.1788 ( 1762 PWs) bands (ev): -9.5804 -9.5804 -8.8152 -8.8152 2.5634 2.5634 3.1111 3.1111 3.6166 3.6166 3.7722 3.7722 4.3645 4.3645 5.2709 5.2709 5.4955 5.4955 6.0013 6.0013 6.1720 6.1720 6.4601 6.4601 6.7347 6.7347 7.0665 7.0665 7.2815 7.2815 7.4834 7.4834 8.5947 8.5947 9.3621 9.3621 13.9922 13.9922 15.6030 15.6030 17.0702 17.0702 k = 0.5932 0.0295-0.1788 ( 1762 PWs) bands (ev): -9.5638 -9.5638 -8.8124 -8.8124 2.6000 2.6000 3.1072 3.1072 3.6432 3.6432 3.7721 3.7721 4.3060 4.3060 5.2498 5.2498 5.4997 5.4997 6.0015 6.0015 6.1562 6.1562 6.4579 6.4579 6.7530 6.7530 7.0696 7.0696 7.3094 7.3094 7.4836 7.4836 8.5839 8.5839 9.3102 9.3102 14.0024 14.0024 15.6766 15.6766 17.0846 17.0846 k = 0.5977 0.0198-0.1788 ( 1760 PWs) bands (ev): -9.5467 -9.5467 -8.8095 -8.8095 2.6378 2.6378 3.1040 3.1040 3.6708 3.6708 3.7724 3.7724 4.2413 4.2413 5.2261 5.2261 5.5126 5.5126 6.0013 6.0013 6.1411 6.1411 6.4550 6.4550 6.7722 6.7722 7.0709 7.0709 7.3350 7.3350 7.4841 7.4841 8.5726 8.5726 9.2619 9.2619 14.0136 14.0136 15.7504 15.7504 17.1006 17.1006 k = 0.6021 0.0102-0.1788 ( 1760 PWs) bands (ev): -9.5292 -9.5292 -8.8066 -8.8066 2.6767 2.6767 3.1016 3.1016 3.6992 3.6992 3.7730 3.7730 4.1718 4.1718 5.1994 5.1994 5.5330 5.5330 6.0005 6.0005 6.1272 6.1272 6.4514 6.4514 6.7917 6.7917 7.0706 7.0706 7.3578 7.3578 7.4847 7.4847 8.5609 8.5609 9.2177 9.2177 14.0258 14.0258 15.8240 15.8240 17.1185 17.1185 k = 0.6066 0.0006-0.1788 ( 1762 PWs) bands (ev): -9.5115 -9.5115 -8.8036 -8.8036 2.7167 2.7167 3.1002 3.1002 3.7281 3.7281 3.7742 3.7742 4.0987 4.0987 5.1697 5.1697 5.5593 5.5593 5.9990 5.9990 6.1149 6.1149 6.4471 6.4471 6.8113 6.8113 7.0688 7.0688 7.3773 7.3773 7.4856 7.4856 8.5489 8.5489 9.1784 9.1784 14.0391 14.0391 15.8971 15.8971 17.1384 17.1384 k = 0.6110-0.0090-0.1788 ( 1756 PWs) bands (ev): -9.4935 -9.4935 -8.8006 -8.8006 2.7576 2.7576 3.0998 3.0998 3.7561 3.7561 3.7774 3.7774 4.0233 4.0233 5.1377 5.1377 5.5896 5.5896 5.9973 5.9973 6.1048 6.1048 6.4424 6.4424 6.8305 6.8305 7.0656 7.0656 7.3932 7.3932 7.4868 7.4868 8.5369 8.5369 9.1445 9.1445 14.0536 14.0536 15.9694 15.9694 17.1607 17.1607 k = 0.6154-0.0186-0.1788 ( 1758 PWs) bands (ev): -9.4753 -9.4753 -8.7976 -8.7976 2.7992 2.7992 3.1004 3.1004 3.7717 3.7717 3.7932 3.7932 3.9471 3.9471 5.1037 5.1037 5.6219 5.6219 5.9955 5.9955 6.0969 6.0969 6.4369 6.4369 6.8489 6.8489 7.0609 7.0609 7.4055 7.4055 7.4881 7.4881 8.5250 8.5250 9.1165 9.1165 14.0693 14.0693 16.0405 16.0405 17.1855 17.1855 k = 0.6199-0.0282-0.1788 ( 1762 PWs) bands (ev): -9.4569 -9.4569 -8.7946 -8.7946 2.8414 2.8414 3.1022 3.1022 3.7752 3.7752 3.8158 3.8158 3.8765 3.8765 5.0679 5.0679 5.6540 5.6540 5.9950 5.9950 6.0913 6.0913 6.4309 6.4309 6.8659 6.8659 7.0549 7.0549 7.4144 7.4144 7.4891 7.4891 8.5133 8.5133 9.0948 9.0948 14.0863 14.0863 16.1100 16.1100 17.2132 17.2132 k = 0.6243-0.0378-0.1788 ( 1756 PWs) bands (ev): -9.4385 -9.4385 -8.7916 -8.7916 2.8840 2.8840 3.1054 3.1054 3.7708 3.7708 3.7854 3.7854 3.8676 3.8676 5.0309 5.0309 5.6842 5.6842 5.9973 5.9973 6.0878 6.0878 6.4244 6.4244 6.8809 6.8809 7.0475 7.0475 7.4206 7.4206 7.4898 7.4898 8.5021 8.5021 9.0795 9.0795 14.1047 14.1047 16.1776 16.1776 17.2440 17.2440 k = 0.6288-0.0474-0.1788 ( 1758 PWs) bands (ev): -9.4201 -9.4201 -8.7886 -8.7886 2.9266 2.9266 3.1100 3.1100 3.7017 3.7017 3.7823 3.7823 3.8975 3.8975 4.9925 4.9925 5.7099 5.7099 6.0042 6.0042 6.0861 6.0861 6.4174 6.4174 6.8932 6.8932 7.0389 7.0389 7.4246 7.4246 7.4898 7.4898 8.4916 8.4916 9.0707 9.0707 14.1246 14.1246 16.2430 16.2430 17.2782 17.2782 k = 0.6332-0.0570-0.1788 ( 1764 PWs) bands (ev): -9.4018 -9.4018 -8.7856 -8.7856 2.9688 2.9688 3.1163 3.1163 3.6249 3.6249 3.7852 3.7852 3.9312 3.9312 4.9531 4.9531 5.7295 5.7295 6.0168 6.0168 6.0861 6.0861 6.4098 6.4098 6.9020 6.9020 7.0289 7.0289 7.4272 7.4272 7.4894 7.4894 8.4820 8.4820 9.0683 9.0683 14.1460 14.1460 16.3060 16.3060 17.3160 17.3160 k = 0.6377-0.0666-0.1788 ( 1762 PWs) bands (ev): -9.3836 -9.3836 -8.7827 -8.7827 3.0099 3.0099 3.1249 3.1249 3.5485 3.5486 3.7888 3.7888 3.9663 3.9663 4.9129 4.9129 5.7422 5.7422 6.0352 6.0352 6.0885 6.0885 6.4019 6.4019 6.9066 6.9066 7.0177 7.0177 7.4290 7.4290 7.4889 7.4889 8.4735 8.4735 9.0719 9.0719 14.1691 14.1691 16.3663 16.3663 17.3576 17.3576 k = 0.6421-0.0762-0.1788 ( 1762 PWs) bands (ev): -9.3657 -9.3657 -8.7798 -8.7798 3.0482 3.0482 3.1365 3.1365 3.4741 3.4741 3.7930 3.7930 4.0024 4.0024 4.8718 4.8718 5.7486 5.7486 6.0556 6.0556 6.0956 6.0956 6.3934 6.3934 6.9064 6.9064 7.0051 7.0051 7.4301 7.4301 7.4889 7.4889 8.4663 8.4663 9.0810 9.0810 14.1938 14.1938 16.4237 16.4237 17.4031 17.4031 k = 0.6465-0.0858-0.1788 ( 1766 PWs) bands (ev): -9.3480 -9.3480 -8.7770 -8.7770 3.0813 3.0813 3.1523 3.1523 3.4033 3.4033 3.7977 3.7977 4.0392 4.0392 4.8299 4.8299 5.7499 5.7499 6.0697 6.0697 6.1140 6.1140 6.3846 6.3846 6.9010 6.9010 6.9912 6.9912 7.4306 7.4306 7.4906 7.4906 8.4606 8.4606 9.0952 9.0952 14.2201 14.2201 16.4784 16.4784 17.4524 17.4524 k = 0.6510-0.0954-0.1788 ( 1768 PWs) bands (ev): -9.3307 -9.3307 -8.7743 -8.7743 3.1060 3.1060 3.1716 3.1716 3.3402 3.3402 3.8030 3.8030 4.0768 4.0768 4.7875 4.7875 5.7478 5.7478 6.0761 6.0761 6.1434 6.1434 6.3753 6.3753 6.8900 6.8900 6.9761 6.9761 7.4301 7.4301 7.4948 7.4948 8.4567 8.4567 9.1138 9.1138 14.2482 14.2482 16.5302 16.5302 17.5054 17.5054 k = 0.6554-0.1050-0.1788 ( 1766 PWs) bands (ev): -9.3138 -9.3138 -8.7716 -8.7716 3.1201 3.1201 3.1832 3.1832 3.2983 3.2983 3.8089 3.8089 4.1149 4.1149 4.7447 4.7447 5.7437 5.7437 6.0795 6.0795 6.1772 6.1772 6.3657 6.3657 6.8736 6.8736 6.9600 6.9600 7.4279 7.4279 7.5025 7.5025 8.4547 8.4547 9.1363 9.1363 14.2780 14.2780 16.5795 16.5795 17.5616 17.5616 k = 0.6599-0.1146-0.1788 ( 1764 PWs) bands (ev): -9.2974 -9.2974 -8.7690 -8.7690 3.1123 3.1123 3.1772 3.1772 3.2989 3.2989 3.8153 3.8153 4.1535 4.1535 4.7014 4.7014 5.7385 5.7385 6.0818 6.0818 6.2120 6.2120 6.3557 6.3557 6.8520 6.8520 6.9431 6.9431 7.4240 7.4240 7.5140 7.5140 8.4547 8.4547 9.1618 9.1618 14.3093 14.3093 16.6263 16.6263 17.6202 17.6202 k = 0.6643-0.1242-0.1788 ( 1762 PWs) bands (ev): -9.2816 -9.2816 -8.7665 -8.7665 3.0701 3.0701 3.1815 3.1815 3.3266 3.3266 3.8224 3.8224 4.1924 4.1924 4.6579 4.6579 5.7330 5.7330 6.0838 6.0838 6.2459 6.2459 6.3456 6.3456 6.8259 6.8259 6.9256 6.9256 7.4183 7.4183 7.5288 7.5288 8.4569 8.4569 9.1900 9.1900 14.3421 14.3421 16.6711 16.6711 17.6778 17.6778 k = 0.6687-0.1338-0.1788 ( 1764 PWs) bands (ev): -9.2664 -9.2664 -8.7642 -8.7642 3.0140 3.0140 3.1948 3.1948 3.3623 3.3623 3.8301 3.8301 4.2316 4.2316 4.6143 4.6143 5.7276 5.7276 6.0855 6.0855 6.2775 6.2775 6.3357 6.3357 6.7963 6.7963 6.9075 6.9075 7.4110 7.4110 7.5465 7.5465 8.4614 8.4614 9.2200 9.2200 14.3761 14.3761 16.7142 16.7142 17.7061 17.7061 k = 0.6732-0.1434-0.1788 ( 1760 PWs) bands (ev): -9.2520 -9.2520 -8.7619 -8.7619 2.9556 2.9556 3.2113 3.2113 3.4001 3.4001 3.8385 3.8385 4.2707 4.2707 4.5710 4.5710 5.7231 5.7231 6.0871 6.0871 6.3028 6.3028 6.3291 6.3291 6.7642 6.7642 6.8890 6.8890 7.4024 7.4024 7.5665 7.5665 8.4681 8.4681 9.2515 9.2515 14.4111 14.4111 16.7560 16.7560 17.5899 17.5899 k = 0.6776-0.1530-0.1788 ( 1762 PWs) bands (ev): -9.2383 -9.2383 -8.7598 -8.7598 2.8981 2.8981 3.2296 3.2296 3.4381 3.4381 3.8475 3.8475 4.3090 4.3090 4.5286 4.5286 5.7192 5.7192 6.0887 6.0887 6.3057 6.3057 6.3414 6.3414 6.7307 6.7307 6.8701 6.8701 7.3924 7.3924 7.5882 7.5882 8.4769 8.4769 9.2839 9.2839 14.4465 14.4465 16.7967 16.7967 17.4259 17.4259 k = 0.6821-0.1626-0.1788 ( 1764 PWs) bands (ev): -9.2255 -9.2255 -8.7578 -8.7578 2.8426 2.8426 3.2495 3.2495 3.4753 3.4753 3.8572 3.8572 4.3446 4.3446 4.4890 4.4890 5.7164 5.7164 6.0902 6.0902 6.2959 6.2959 6.3618 6.3618 6.6969 6.6969 6.8509 6.8509 7.3814 7.3814 7.6112 7.6112 8.4877 8.4877 9.3168 9.3168 14.4817 14.4817 16.8365 16.8365 17.2614 17.2614 k = 0.6865-0.1722-0.1788 ( 1764 PWs) bands (ev): -9.2137 -9.2137 -8.7559 -8.7559 2.7898 2.7898 3.2708 3.2708 3.5114 3.5114 3.8676 3.8676 4.3699 4.3699 4.4599 4.4599 5.7147 5.7147 6.0916 6.0916 6.2843 6.2843 6.3786 6.3786 6.6643 6.6643 6.8318 6.8318 7.3693 7.3693 7.6349 7.6349 8.5003 8.5003 9.3498 9.3498 14.5157 14.5157 16.8751 16.8751 17.1028 17.1028 k = 0.6909-0.1819-0.1788 ( 1766 PWs) bands (ev): -9.2028 -9.2028 -8.7542 -8.7542 2.7399 2.7399 3.2934 3.2934 3.5458 3.5458 3.8786 3.8786 4.3630 4.3630 4.4630 4.4630 5.7144 5.7144 6.0931 6.0931 6.2722 6.2722 6.3893 6.3893 6.6343 6.6343 6.8131 6.8131 7.3563 7.3563 7.6592 7.6592 8.5144 8.5144 9.3825 9.3825 14.5473 14.5473 16.9007 16.9007 16.9651 16.9651 k = 0.3091-0.6685 0.0000 ( 1766 PWs) bands (ev): -9.2028 -9.2028 -8.7542 -8.7542 2.7399 2.7399 3.2934 3.2934 3.5458 3.5458 3.8786 3.8786 4.3630 4.3630 4.4630 4.4630 5.7144 5.7144 6.0931 6.0931 6.2722 6.2722 6.3893 6.3893 6.6343 6.6343 6.8131 6.8131 7.3563 7.3563 7.6592 7.6592 8.5144 8.5144 9.3825 9.3825 14.5473 14.5473 16.9007 16.9007 16.9651 16.9651 k = 0.3046-0.6590 0.0000 ( 1766 PWs) bands (ev): -9.1931 -9.1931 -8.7527 -8.7527 2.6936 2.6936 3.3171 3.3171 3.5781 3.5781 3.8903 3.8903 4.3303 4.3303 4.4921 4.4921 5.7154 5.7154 6.0946 6.0946 6.2597 6.2597 6.3922 6.3922 6.6089 6.6089 6.7952 6.7952 7.3425 7.3425 7.6836 7.6836 8.5296 8.5296 9.4144 9.4144 14.5747 14.5747 16.7992 16.7992 16.9657 16.9657 k = 0.3002-0.6494 0.0000 ( 1768 PWs) bands (ev): -9.1844 -9.1844 -8.7513 -8.7513 2.6506 2.6506 3.3420 3.3420 3.6083 3.6083 3.9027 3.9027 4.2908 4.2908 4.5280 4.5280 5.7178 5.7178 6.0961 6.0961 6.2470 6.2470 6.3863 6.3863 6.5888 6.5888 6.7785 6.7785 7.3282 7.3282 7.7078 7.7078 8.5454 8.5454 9.4455 9.4455 14.5959 14.5959 16.6727 16.6727 17.0046 17.0046 k = 0.2958-0.6399 0.0000 ( 1772 PWs) bands (ev): -9.1769 -9.1769 -8.7501 -8.7501 2.6111 2.6111 3.3679 3.3679 3.6360 3.6360 3.9157 3.9157 4.2498 4.2498 4.5654 4.5654 5.7216 5.7216 6.0976 6.0976 6.2342 6.2342 6.3718 6.3718 6.5740 6.5740 6.7635 6.7635 7.3132 7.3132 7.7318 7.7318 8.5616 8.5616 9.4754 9.4754 14.6083 14.6083 16.5599 16.5599 17.0464 17.0464 k = 0.2914-0.6303 0.0000 ( 1766 PWs) bands (ev): -9.1706 -9.1706 -8.7490 -8.7490 2.5752 2.5752 3.3949 3.3949 3.6613 3.6613 3.9293 3.9293 4.2089 4.2089 4.6027 4.6027 5.7269 5.7269 6.0994 6.0994 6.2214 6.2214 6.3505 6.3505 6.5629 6.5629 6.7509 6.7509 7.2978 7.2978 7.7553 7.7553 8.5779 8.5779 9.5040 9.5040 14.6092 14.6092 16.4657 16.4657 17.0900 17.0900 k = 0.2870-0.6208 0.0000 ( 1766 PWs) bands (ev): -9.1655 -9.1655 -8.7481 -8.7481 2.5431 2.5431 3.4226 3.4226 3.6837 3.6837 3.9433 3.9433 4.1687 4.1687 4.6395 4.6395 5.7336 5.7336 6.1012 6.1012 6.2086 6.2086 6.3247 6.3247 6.5532 6.5532 6.7409 6.7409 7.2821 7.2821 7.7782 7.7782 8.5936 8.5936 9.5310 9.5310 14.5956 14.5956 16.3933 16.3933 17.1352 17.1352 k = 0.2826-0.6112 0.0000 ( 1762 PWs) bands (ev): -9.1617 -9.1617 -8.7474 -8.7474 2.5148 2.5148 3.4509 3.4509 3.7033 3.7033 3.9572 3.9572 4.1301 4.1301 4.6751 4.6751 5.7415 5.7415 6.1031 6.1031 6.1959 6.1959 6.2966 6.2966 6.5436 6.5436 6.7337 6.7337 7.2661 7.2661 7.8003 7.8003 8.6085 8.6085 9.5563 9.5563 14.5654 14.5654 16.3454 16.3454 17.1821 17.1821 k = 0.2782-0.6017 0.0000 ( 1760 PWs) bands (ev): -9.1592 -9.1592 -8.7469 -8.7469 2.4905 2.4905 3.4795 3.4795 3.7199 3.7199 3.9702 3.9702 4.0945 4.0945 4.7093 4.7093 5.7507 5.7507 6.1050 6.1050 6.1835 6.1835 6.2675 6.2675 6.5332 6.5332 6.7292 6.7292 7.2500 7.2500 7.8214 7.8214 8.6220 8.6220 9.5796 9.5796 14.5176 14.5176 16.3231 16.3231 17.2309 17.2309 k = 0.2737-0.5921 0.0000 ( 1756 PWs) bands (ev): -9.1581 -9.1581 -8.7466 -8.7466 2.4701 2.4701 3.5080 3.5080 3.7335 3.7335 3.9793 3.9793 4.0654 4.0654 4.7418 4.7418 5.7610 5.7610 6.1068 6.1068 6.1714 6.1714 6.2385 6.2385 6.5221 6.5221 6.7267 6.7267 7.2339 7.2339 7.8415 7.8415 8.6339 8.6339 9.6009 9.6009 14.4530 14.4530 16.3261 16.3261 17.2816 17.2816 k = 0.2693-0.5826 0.0000 ( 1748 PWs) bands (ev): -9.1584 -9.1584 -8.7465 -8.7465 2.4537 2.4537 3.5357 3.5357 3.7439 3.7439 3.9765 3.9765 4.0511 4.0511 4.7722 4.7722 5.7721 5.7721 6.1085 6.1085 6.1600 6.1600 6.2104 6.2104 6.5110 6.5110 6.7261 6.7261 7.2177 7.2177 7.8605 7.8605 8.6438 8.6438 9.6202 9.6202 14.3733 14.3733 16.3526 16.3526 17.3344 17.3344 k = 0.2649-0.5730 0.0000 ( 1748 PWs) bands (ev): -9.1600 -9.1600 -8.7465 -8.7465 2.4414 2.4414 3.5616 3.5616 3.7514 3.7514 3.9589 3.9589 4.0555 4.0555 4.8003 4.8003 5.7837 5.7837 6.1099 6.1099 6.1490 6.1490 6.1838 6.1838 6.5005 6.5005 6.7266 6.7266 7.2015 7.2015 7.8781 7.8781 8.6515 8.6515 9.6371 9.6371 14.2815 14.2815 16.4000 16.4000 17.3893 17.3893 k = 0.2605-0.5635 0.0000 ( 1750 PWs) bands (ev): -9.1631 -9.1631 -8.7468 -8.7468 2.4332 2.4332 3.5843 3.5843 3.7558 3.7558 3.9367 3.9367 4.0697 4.0697 4.8257 4.8257 5.7955 5.7955 6.1105 6.1105 6.1385 6.1385 6.1598 6.1598 6.4911 6.4911 6.7280 6.7280 7.1855 7.1855 7.8943 7.8943 8.6566 8.6566 9.6516 9.6516 14.1803 14.1803 16.4656 16.4656 17.4462 17.4462 k = 0.2561-0.5539 0.0000 ( 1748 PWs) bands (ev): -9.1675 -9.1675 -8.7473 -8.7473 2.4291 2.4291 3.6019 3.6019 3.7570 3.7570 3.9178 3.9178 4.0881 4.0881 4.8483 4.8483 5.8069 5.8069 6.1093 6.1093 6.1263 6.1263 6.1424 6.1424 6.4835 6.4835 6.7301 6.7301 7.1696 7.1696 7.9091 7.9091 8.6591 8.6591 9.6637 9.6637 14.0725 14.0725 16.5467 16.5467 17.5053 17.5053 k = 0.2517-0.5444 0.0000 ( 1748 PWs) bands (ev): -9.1734 -9.1734 -8.7479 -8.7479 2.4292 2.4292 3.6121 3.6121 3.7542 3.7542 3.9071 3.9071 4.1087 4.1087 4.8679 4.8679 5.8174 5.8174 6.1014 6.1014 6.1135 6.1135 6.1358 6.1358 6.4781 6.4781 6.7326 6.7326 7.1538 7.1538 7.9225 7.9225 8.6588 8.6588 9.6734 9.6734 13.9605 13.9605 16.6410 16.6410 17.5663 17.5663 k = 0.2473-0.5348 0.0000 ( 1746 PWs) bands (ev): -9.1806 -9.1806 -8.7488 -8.7488 2.4334 2.4334 3.6135 3.6135 3.7466 3.7466 3.9077 3.9077 4.1308 4.1308 4.8843 4.8843 5.8262 5.8262 6.0843 6.0843 6.1072 6.1072 6.1363 6.1363 6.4751 6.4751 6.7356 6.7356 7.1382 7.1382 7.9342 7.9342 8.6555 8.6555 9.6805 9.6805 13.8461 13.8461 16.7466 16.7466 17.6290 17.6290 k = 0.2428-0.5253 0.0000 ( 1746 PWs) bands (ev): -9.1893 -9.1893 -8.7498 -8.7498 2.4418 2.4418 3.6060 3.6060 3.7339 3.7339 3.9199 3.9199 4.1542 4.1542 4.8973 4.8973 5.8328 5.8328 6.0660 6.0660 6.1026 6.1026 6.1413 6.1413 6.4745 6.4745 6.7390 6.7390 7.1228 7.1228 7.9443 7.9443 8.6494 8.6494 9.6852 9.6852 13.7308 13.7308 16.8622 16.8622 17.6932 17.6932 k = 0.2384-0.5157 0.0000 ( 1746 PWs) bands (ev): -9.1993 -9.1993 -8.7510 -8.7510 2.4542 2.4542 3.5914 3.5914 3.7168 3.7168 3.9417 3.9417 4.1788 4.1788 4.9070 4.9070 5.8366 5.8366 6.0482 6.0482 6.0990 6.0990 6.1502 6.1502 6.4760 6.4760 6.7429 6.7429 7.1076 7.1076 7.9528 7.9528 8.6404 8.6404 9.6874 9.6874 13.6158 13.6158 16.9863 16.9863 17.7582 17.7582 k = 0.2340-0.5062 0.0000 ( 1744 PWs) bands (ev): -9.2107 -9.2107 -8.7524 -8.7524 2.4707 2.4707 3.5715 3.5715 3.6963 3.6963 3.9702 3.9702 4.2046 4.2046 4.9134 4.9134 5.8375 5.8375 6.0310 6.0310 6.0967 6.0967 6.1634 6.1634 6.4794 6.4794 6.7474 6.7474 7.0926 7.0926 7.9595 7.9595 8.6288 8.6288 9.6870 9.6870 13.5019 13.5019 17.1181 17.1181 17.7894 17.7894 k = 0.2296-0.4966 0.0000 ( 1744 PWs) bands (ev): -9.2233 -9.2233 -8.7541 -8.7541 2.4913 2.4913 3.5483 3.5483 3.6728 3.6728 4.0033 4.0033 4.2315 4.2315 4.9165 4.9165 5.8358 5.8358 6.0141 6.0141 6.0955 6.0955 6.1807 6.1807 6.4842 6.4842 6.7524 6.7524 7.0779 7.0779 7.9646 7.9646 8.6145 8.6145 9.6843 9.6843 13.3899 13.3899 17.2567 17.2567 17.7405 17.7405 k = 0.2252-0.4871 0.0000 ( 1744 PWs) bands (ev): -9.2373 -9.2373 -8.7558 -8.7558 2.5158 2.5158 3.5231 3.5231 3.6464 3.6464 4.0395 4.0395 4.2596 4.2596 4.9163 4.9163 5.8317 5.8317 5.9973 5.9973 6.0954 6.0954 6.2021 6.2021 6.4898 6.4898 6.7582 6.7582 7.0636 7.0636 7.9679 7.9679 8.5981 8.5981 9.6791 9.6791 13.2802 13.2802 17.4013 17.4013 17.6922 17.6922 k = 0.2208-0.4775 0.0000 ( 1742 PWs) bands (ev): -9.2525 -9.2525 -8.7578 -8.7578 2.5443 2.5443 3.4968 3.4968 3.6174 3.6174 4.0777 4.0777 4.2888 4.2888 4.9132 4.9132 5.8262 5.8262 5.9807 5.9807 6.0964 6.0964 6.2270 6.2270 6.4959 6.4959 6.7647 6.7647 7.0495 7.0495 7.9694 7.9694 8.5796 8.5796 9.6716 9.6716 13.1733 13.1733 17.5514 17.5514 17.6454 17.6454 k = 0.2163-0.4680 0.0000 ( 1740 PWs) bands (ev): -9.2689 -9.2689 -8.7599 -8.7599 2.5767 2.5767 3.4702 3.4702 3.5858 3.5858 4.1174 4.1174 4.3193 4.3193 4.9072 4.9072 5.8195 5.8195 5.9640 5.9640 6.0984 6.0984 6.2551 6.2551 6.5019 6.5019 6.7718 6.7718 7.0359 7.0359 7.9692 7.9692 8.5596 8.5596 9.6619 9.6619 13.0693 13.0693 17.5997 17.5997 17.7068 17.7068 k = 0.2119-0.4584 0.0000 ( 1742 PWs) bands (ev): -9.2864 -9.2864 -8.7623 -8.7623 2.6128 2.6128 3.4436 3.4436 3.5519 3.5519 4.1579 4.1579 4.3510 4.3510 4.8985 4.8985 5.8120 5.8120 5.9473 5.9473 6.1011 6.1011 6.2853 6.2853 6.5077 6.5077 6.7793 6.7793 7.0227 7.0227 7.9673 7.9673 8.5385 8.5385 9.6500 9.6500 12.9685 12.9685 17.5560 17.5560 17.8660 17.8660 k = 0.2075-0.4489 0.0000 ( 1742 PWs) bands (ev): -9.3050 -9.3050 -8.7648 -8.7648 2.6526 2.6526 3.4172 3.4172 3.5158 3.5158 4.1991 4.1991 4.3841 4.3841 4.8875 4.8875 5.8043 5.8043 5.9310 5.9310 6.1047 6.1047 6.3168 6.3168 6.5134 6.5134 6.7868 6.7868 7.0103 7.0103 7.9636 7.9636 8.5168 8.5168 9.6360 9.6360 12.8709 12.8709 17.5138 17.5138 18.0262 18.0262 k = 0.2031-0.4393 0.0000 ( 1744 PWs) bands (ev): -9.3246 -9.3246 -8.7674 -8.7674 2.6959 2.6959 3.3911 3.3911 3.4780 3.4780 4.2405 4.2405 4.4184 4.4184 4.8743 4.8743 5.7961 5.7961 5.9152 5.9152 6.1087 6.1087 6.3481 6.3481 6.5198 6.5198 6.7939 6.7939 6.9987 6.9987 7.9582 7.9582 8.4950 8.4950 9.6202 9.6202 12.7765 12.7765 17.4731 17.4731 18.0849 18.0849 k = 0.1987-0.4298 0.0000 ( 1746 PWs) bands (ev): -9.3452 -9.3452 -8.7702 -8.7702 2.7428 2.7428 3.3651 3.3651 3.4390 3.4390 4.2820 4.2820 4.4540 4.4540 4.8593 4.8593 5.7878 5.7878 5.9000 5.9000 6.1132 6.1132 6.3771 6.3771 6.5281 6.5281 6.8001 6.8001 6.9886 6.9886 7.9512 7.9512 8.4737 8.4737 9.6026 9.6026 12.6854 12.6854 17.4341 17.4341 18.0564 18.0564 k = 0.1943-0.4202 0.0000 ( 1748 PWs) bands (ev): -9.3667 -9.3667 -8.7732 -8.7732 2.7929 2.7929 3.3386 3.3386 3.3997 3.3997 4.3234 4.3234 4.4908 4.4908 4.8428 4.8428 5.7790 5.7790 5.8861 5.8861 6.1179 6.1179 6.4006 6.4006 6.5412 6.5412 6.8044 6.8044 6.9801 6.9801 7.9425 7.9425 8.4534 8.4534 9.5835 9.5835 12.5974 12.5974 17.3966 17.3966 18.0082 18.0082 k = 0.1899-0.4107 0.0000 ( 1748 PWs) bands (ev): -9.3890 -9.3890 -8.7763 -8.7763 2.8461 2.8461 3.3099 3.3099 3.3623 3.3623 4.3646 4.3646 4.5288 4.5288 4.8250 4.8250 5.7696 5.7696 5.8737 5.8737 6.1227 6.1227 6.4158 6.4158 6.5613 6.5613 6.8064 6.8064 6.9741 6.9741 7.9323 7.9323 8.4347 8.4347 9.5629 9.5629 12.5124 12.5124 17.3608 17.3608 17.9458 17.9458 k = 0.1854-0.4011 0.0000 ( 1746 PWs) bands (ev): -9.4121 -9.4121 -8.7795 -8.7795 2.9022 2.9022 3.2765 3.2765 3.3295 3.3295 4.4055 4.4055 4.5679 4.5679 4.8064 4.8064 5.7590 5.7590 5.8634 5.8634 6.1272 6.1272 6.4217 6.4217 6.5885 6.5885 6.8057 6.8057 6.9709 6.9709 7.9206 7.9206 8.4181 8.4181 9.5413 9.5413 12.4303 12.4303 17.3264 17.3264 17.8731 17.8731 k = 0.1810-0.3916 0.0000 ( 1742 PWs) bands (ev): -9.4359 -9.4359 -8.7829 -8.7829 2.9605 2.9605 3.2376 3.2376 3.3028 3.3028 4.4461 4.4461 4.6075 4.6075 4.7875 4.7875 5.7470 5.7470 5.8553 5.8553 6.1314 6.1314 6.4199 6.4199 6.6202 6.6202 6.8030 6.8030 6.9706 6.9706 7.9075 7.9075 8.4040 8.4040 9.5186 9.5186 12.3509 12.3509 17.2936 17.2936 17.7928 17.7928 k = 0.1766-0.3820 0.0000 ( 1744 PWs) bands (ev): -9.4603 -9.4603 -8.7863 -8.7863 3.0197 3.0197 3.1961 3.1961 3.2808 3.2808 4.4863 4.4863 4.6465 4.6465 4.7696 4.7696 5.7335 5.7335 5.8496 5.8496 6.1348 6.1348 6.4123 6.4123 6.6524 6.6524 6.8000 6.8000 6.9731 6.9731 7.8930 7.8930 8.3927 8.3927 9.4953 9.4953 12.2741 12.2741 17.2622 17.2622 17.7069 17.7069 k = 0.1722-0.3725 0.0000 ( 1744 PWs) bands (ev): -9.4853 -9.4853 -8.7899 -8.7899 3.0720 3.0720 3.1612 3.1612 3.2621 3.2621 4.5263 4.5263 4.6806 4.6806 4.7571 4.7571 5.7187 5.7187 5.8460 5.8460 6.1372 6.1372 6.4007 6.4007 6.6796 6.6796 6.8007 6.8007 6.9780 6.9780 7.8773 7.8773 8.3844 8.3844 9.4716 9.4716 12.1996 12.1996 17.2323 17.2323 17.6170 17.6170 k = 0.1678-0.3629 0.0000 ( 1742 PWs) bands (ev): -9.5107 -9.5107 -8.7936 -8.7936 3.0745 3.0745 3.1755 3.1755 3.2470 3.2470 4.5656 4.5656 4.6950 4.6950 4.7651 4.7651 5.7029 5.7029 5.8443 5.8443 6.1384 6.1384 6.3860 6.3860 6.6954 6.6954 6.8112 6.8112 6.9852 6.9852 7.8606 7.8606 8.3794 8.3794 9.4479 9.4479 12.1272 12.1272 17.2038 17.2038 17.5240 17.5240 k = 0.1634-0.3534 0.0000 ( 1742 PWs) bands (ev): -9.5365 -9.5365 -8.7974 -8.7974 3.0340 3.0340 3.2159 3.2159 3.2518 3.2518 4.6039 4.6039 4.6864 4.6864 4.7976 4.7976 5.6862 5.6862 5.8439 5.8439 6.1376 6.1376 6.3691 6.3691 6.6972 6.6972 6.8332 6.8332 6.9946 6.9946 7.8429 7.8429 8.3775 8.3775 9.4244 9.4244 12.0568 12.0568 17.1767 17.1767 17.4287 17.4287 k = 0.1589-0.3438 0.0000 ( 1740 PWs) bands (ev): -9.5626 -9.5626 -8.8012 -8.8012 2.9861 2.9861 3.2108 3.2108 3.3123 3.3123 4.6359 4.6359 4.6764 4.6764 4.8384 4.8384 5.6688 5.6688 5.8443 5.8443 6.1346 6.1346 6.3510 6.3510 6.6898 6.6898 6.8614 6.8614 7.0065 7.0065 7.8243 7.8243 8.3787 8.3787 9.4015 9.4015 11.9880 11.9880 17.1508 17.1508 17.3320 17.3320 k = 0.1545-0.3343 0.0000 ( 1738 PWs) bands (ev): -9.5890 -9.5890 -8.8052 -8.8052 2.9363 2.9363 3.1997 3.1997 3.3833 3.3833 4.6374 4.6374 4.6955 4.6955 4.8814 4.8814 5.6510 5.6510 5.8449 5.8449 6.1289 6.1289 6.3329 6.3329 6.6781 6.6781 6.8898 6.8898 7.0216 7.0216 7.8052 7.8052 8.3828 8.3828 9.3797 9.3797 11.9209 11.9209 17.1260 17.1260 17.2343 17.2343 k = 0.1501-0.3247 0.0000 ( 1740 PWs) bands (ev): -9.6155 -9.6155 -8.8091 -8.8091 2.8858 2.8858 3.1892 3.1892 3.4570 3.4570 4.6212 4.6212 4.7321 4.7321 4.9252 4.9252 5.6329 5.6329 5.8448 5.8448 6.1202 6.1202 6.3160 6.3160 6.6647 6.6647 6.9151 6.9151 7.0402 7.0402 7.7855 7.7855 8.3895 8.3895 9.3594 9.3594 11.8550 11.8550 17.1008 17.1008 17.1375 17.1375 k = 0.1457-0.3152 0.0000 ( 1738 PWs) bands (ev): -9.6421 -9.6421 -8.8132 -8.8132 2.8351 2.8351 3.1797 3.1797 3.5321 3.5321 4.6035 4.6035 4.7713 4.7713 4.9691 4.9691 5.6146 5.6146 5.8430 5.8430 6.1088 6.1088 6.3012 6.3012 6.6509 6.6509 6.9358 6.9358 7.0620 7.0620 7.7656 7.7656 8.3986 8.3986 9.3410 9.3410 11.7904 11.7904 17.0335 17.0335 17.0836 17.0836 k = 0.1413-0.3056 0.0000 ( 1734 PWs) bands (ev): -9.6688 -9.6688 -8.8172 -8.8172 2.7843 2.7843 3.1714 3.1714 3.6076 3.6076 4.5867 4.5867 4.8112 4.8112 5.0129 5.0129 5.5961 5.5961 5.8381 5.8381 6.0960 6.0960 6.2893 6.2893 6.6373 6.6373 6.9522 6.9522 7.0857 7.0857 7.7456 7.7456 8.4098 8.4098 9.3251 9.3251 11.7268 11.7268 16.9355 16.9355 17.0615 17.0615 k = 0.1369-0.2961 0.0000 ( 1734 PWs) bands (ev): -9.6954 -9.6954 -8.8213 -8.8213 2.7338 2.7338 3.1643 3.1643 3.6827 3.6827 4.5719 4.5719 4.8515 4.8515 5.0562 5.0562 5.5775 5.5775 5.8287 5.8287 6.0838 6.0838 6.2800 6.2800 6.6242 6.6242 6.9651 6.9651 7.1092 7.1092 7.7258 7.7258 8.4226 8.4226 9.3121 9.3121 11.6640 11.6640 16.8366 16.8366 17.0414 17.0414 k = 0.1325-0.2865 0.0000 ( 1742 PWs) bands (ev): -9.7219 -9.7219 -8.8255 -8.8255 2.6836 2.6836 3.1583 3.1583 3.7564 3.7564 4.5602 4.5602 4.8920 4.8920 5.0985 5.0985 5.5586 5.5586 5.8136 5.8136 6.0742 6.0742 6.2730 6.2730 6.6119 6.6119 6.9756 6.9756 7.1307 7.1307 7.7062 7.7062 8.4368 8.4368 9.3026 9.3026 11.6020 11.6020 16.7379 16.7379 17.0225 17.0225 k = 0.1280-0.2770 0.0000 ( 1744 PWs) bands (ev): -9.7482 -9.7482 -8.8296 -8.8296 2.6339 2.6339 3.1535 3.1535 3.8273 3.8273 4.5529 4.5529 4.9327 4.9327 5.1396 5.1396 5.5394 5.5394 5.7928 5.7928 6.0690 6.0690 6.2678 6.2678 6.6003 6.6003 6.9845 6.9845 7.1488 7.1488 7.6871 7.6871 8.4521 8.4521 9.2971 9.2971 11.5407 11.5407 16.6397 16.6397 17.0047 17.0047 k = 0.1236-0.2674 0.0000 ( 1746 PWs) bands (ev): -9.7742 -9.7742 -8.8337 -8.8337 2.5849 2.5849 3.1498 3.1498 3.8936 3.8936 4.5516 4.5516 4.9736 4.9736 5.1789 5.1789 5.5199 5.5199 5.7675 5.7675 6.0684 6.0684 6.2641 6.2641 6.5897 6.5897 6.9922 6.9922 7.1624 7.1624 7.6686 7.6686 8.4681 8.4681 9.2959 9.2959 11.4799 11.4799 16.5421 16.5421 16.9878 16.9878 k = 0.1192-0.2579 0.0000 ( 1746 PWs) bands (ev): -9.8000 -9.8000 -8.8378 -8.8378 2.5367 2.5367 3.1471 3.1471 3.9531 3.9531 4.5585 4.5585 5.0144 5.0144 5.2157 5.2157 5.4998 5.4998 5.7400 5.7400 6.0722 6.0722 6.2615 6.2615 6.5798 6.5798 6.9989 6.9989 7.1710 7.1710 7.6505 7.6505 8.4845 8.4845 9.2996 9.2996 11.4196 11.4196 16.4453 16.4453 16.9718 16.9718 k = 0.1148-0.2483 0.0000 ( 1740 PWs) bands (ev): -9.8253 -9.8253 -8.8418 -8.8418 2.4894 2.4894 3.1455 3.1455 4.0034 4.0034 4.5758 4.5758 5.0550 5.0550 5.2487 5.2487 5.4790 5.4790 5.7132 5.7132 6.0792 6.0792 6.2599 6.2599 6.5709 6.5709 7.0047 7.0047 7.1744 7.1744 7.6326 7.6326 8.5011 8.5011 9.3083 9.3083 11.3598 11.3598 16.3495 16.3495 16.9568 16.9568 k = 0.1104-0.2388 0.0000 ( 1736 PWs) bands (ev): -9.8502 -9.8502 -8.8459 -8.8459 2.4431 2.4431 3.1448 3.1448 4.0425 4.0425 4.6051 4.6051 5.0952 5.0952 5.2763 5.2763 5.4578 5.4578 5.6900 5.6900 6.0885 6.0885 6.2589 6.2589 6.5627 6.5627 7.0095 7.0095 7.1729 7.1729 7.6146 7.6146 8.5177 8.5177 9.3224 9.3224 11.3003 11.3003 16.2548 16.2548 16.9425 16.9425 k = 0.1060-0.2292 0.0000 ( 1736 PWs) bands (ev): -9.8746 -9.8746 -8.8498 -8.8498 2.3979 2.3979 3.1449 3.1449 4.0697 4.0697 4.6471 4.6471 5.1344 5.1344 5.2956 5.2956 5.4378 5.4378 5.6736 5.6736 6.0993 6.0993 6.2587 6.2587 6.5554 6.5554 7.0130 7.0130 7.1669 7.1669 7.5959 7.5959 8.5338 8.5338 9.3417 9.3417 11.2413 11.2413 16.1613 16.1613 16.9290 16.9290 k = 0.1015-0.2197 0.0000 ( 1733 PWs) bands (ev): -9.8984 -9.8984 -8.8537 -8.8537 2.3539 2.3539 3.1459 3.1459 4.0860 4.0860 4.7004 4.7004 5.1711 5.1711 5.3033 5.3033 5.4220 5.4220 5.6664 5.6664 6.1110 6.1110 6.2595 6.2595 6.5489 6.5489 7.0147 7.0147 7.1575 7.1575 7.5762 7.5762 8.5495 8.5495 9.3662 9.3662 11.1827 11.1827 16.0692 16.0692 16.9163 16.9163 k = 0.0971-0.2101 0.0000 ( 1727 PWs) bands (ev): -9.9216 -9.9216 -8.8576 -8.8576 2.3111 2.3111 3.1477 3.1477 4.0933 4.0933 4.7629 4.7629 5.2014 5.2014 5.3006 5.3006 5.4133 5.4133 5.6694 5.6694 6.1228 6.1228 6.2615 6.2615 6.5433 6.5433 7.0140 7.0140 7.1462 7.1462 7.5550 7.5550 8.5644 8.5644 9.3958 9.3958 11.1247 11.1247 15.9786 15.9786 16.9042 16.9042 k = 0.0927-0.2006 0.0000 ( 1725 PWs) bands (ev): -9.9442 -9.9442 -8.8613 -8.8613 2.2697 2.2697 3.1501 3.1501 4.0939 4.0939 4.8318 4.8318 5.2131 5.2131 5.3010 5.3010 5.4112 5.4112 5.6820 5.6820 6.1342 6.1342 6.2647 6.2647 6.5385 6.5385 7.0096 7.0096 7.1345 7.1345 7.5318 7.5318 8.5784 8.5784 9.4299 9.4299 11.0671 11.0671 15.8897 15.8897 16.8928 16.8928 k = 0.0883-0.1910 0.0000 ( 1725 PWs) bands (ev): -9.9660 -9.9660 -8.8650 -8.8650 2.2298 2.2298 3.1531 3.1531 4.0898 4.0898 4.9045 4.9045 5.1971 5.1971 5.3170 5.3170 5.4149 5.4149 5.7026 5.7026 6.1447 6.1447 6.2695 6.2695 6.5345 6.5345 7.0005 7.0005 7.1244 7.1244 7.5066 7.5066 8.5914 8.5914 9.4683 9.4683 11.0103 11.0103 15.8026 15.8026 16.8821 16.8821 k = 0.0839-0.1815 0.0000 ( 1723 PWs) bands (ev): -9.9871 -9.9871 -8.8685 -8.8685 2.1913 2.1913 3.1567 3.1567 4.0824 4.0824 4.9786 4.9786 5.1663 5.1663 5.3366 5.3366 5.4268 5.4268 5.7291 5.7291 6.1540 6.1540 6.2761 6.2761 6.5314 6.5314 6.9858 6.9858 7.1171 7.1171 7.4791 7.4791 8.6030 8.6030 9.5103 9.5103 10.9542 10.9542 15.7175 15.7175 16.8720 16.8720 k = 0.0795-0.1719 0.0000 ( 1725 PWs) bands (ev): -10.0074 -10.0074 -8.8719 -8.8719 2.1543 2.1543 3.1607 3.1607 4.0728 4.0728 5.0500 5.0500 5.1320 5.1320 5.3496 5.3496 5.4501 5.4501 5.7595 5.7595 6.1621 6.1621 6.2843 6.2843 6.5293 6.5293 6.9657 6.9657 7.1129 7.1129 7.4494 7.4494 8.6134 8.6134 9.5552 9.5552 10.8990 10.8990 15.6346 15.6346 16.8624 16.8624 k = 0.0751-0.1624 0.0000 ( 1729 PWs) bands (ev): -10.0268 -10.0268 -8.8752 -8.8752 2.1190 2.1190 3.1651 3.1651 4.0619 4.0619 5.0792 5.0792 5.1347 5.1347 5.3579 5.3579 5.4826 5.4826 5.7925 5.7925 6.1689 6.1689 6.2940 6.2940 6.5280 6.5280 6.9412 6.9412 7.1112 7.1112 7.4177 7.4177 8.6222 8.6222 9.6026 9.6026 10.8449 10.8449 15.5539 15.5539 16.8534 16.8534 k = 0.0706-0.1528 0.0000 ( 1729 PWs) bands (ev): -10.0453 -10.0453 -8.8784 -8.8784 2.0855 2.0855 3.1698 3.1698 4.0502 4.0502 5.0455 5.0455 5.1919 5.1919 5.3691 5.3691 5.5201 5.5201 5.8272 5.8272 6.1747 6.1747 6.3048 6.3048 6.5276 6.5276 6.9135 6.9135 7.1113 7.1113 7.3840 7.3840 8.6295 8.6295 9.6519 9.6519 10.7922 10.7922 15.4758 15.4758 16.8450 16.8450 k = 0.0662-0.1433 0.0000 ( 1731 PWs) bands (ev): -10.0629 -10.0629 -8.8814 -8.8814 2.0536 2.0536 3.1748 3.1748 4.0381 4.0381 5.0078 5.0078 5.2373 5.2373 5.3928 5.3928 5.5602 5.5602 5.8628 5.8628 6.1801 6.1801 6.3164 6.3164 6.5282 6.5282 6.8837 6.8837 7.1124 7.1124 7.3488 7.3488 8.6352 8.6352 9.7023 9.7023 10.7409 10.7409 15.4004 15.4004 16.8371 16.8371 k = 0.0618-0.1337 0.0000 ( 1731 PWs) bands (ev): -10.0795 -10.0795 -8.8843 -8.8843 2.0236 2.0236 3.1799 3.1799 4.0261 4.0261 4.9708 4.9708 5.2614 5.2614 5.4347 5.4347 5.6016 5.6016 5.8989 5.8989 6.1853 6.1853 6.3284 6.3284 6.5298 6.5298 6.8526 6.8526 7.1142 7.1142 7.3121 7.3121 8.6392 8.6392 9.7532 9.7532 10.6914 10.6914 15.3279 15.3279 16.8298 16.8298 k = 0.0574-0.1242 0.0000 ( 1735 PWs) bands (ev): -10.0951 -10.0951 -8.8870 -8.8870 1.9954 1.9954 3.1850 3.1850 4.0141 4.0141 4.9352 4.9352 5.2699 5.2699 5.4886 5.4886 5.6438 5.6438 5.9349 5.9349 6.1907 6.1907 6.3403 6.3403 6.5323 6.5323 6.8209 6.8209 7.1162 7.1162 7.2742 7.2742 8.6415 8.6415 9.8039 9.8039 10.6438 10.6438 15.2587 15.2587 16.8229 16.8229 k = 0.0530-0.1146 0.0000 ( 1735 PWs) bands (ev): -10.1097 -10.1097 -8.8895 -8.8895 1.9691 1.9691 3.1902 3.1902 4.0026 4.0026 4.9016 4.9016 5.2709 5.2709 5.5457 5.5457 5.6865 5.6865 5.9705 5.9705 6.1967 6.1967 6.3519 6.3519 6.5356 6.5356 6.7894 6.7894 7.1182 7.1182 7.2357 7.2357 8.6423 8.6423 9.8539 9.8539 10.5985 10.5985 15.1929 15.1929 16.8166 16.8166 k = 0.0486-0.1051 0.0000 ( 1737 PWs) bands (ev): -10.1232 -10.1232 -8.8919 -8.8919 1.9448 1.9448 3.1953 3.1953 3.9915 3.9915 4.8701 4.8701 5.2687 5.2687 5.6012 5.6012 5.7295 5.7295 6.0054 6.0054 6.2035 6.2035 6.3627 6.3627 6.5396 6.5396 6.7588 6.7588 7.1197 7.1197 7.1968 7.1968 8.6415 8.6415 9.9026 9.9026 10.5557 10.5557 15.1308 15.1308 16.8108 16.8108 k = 0.0442-0.0955 0.0000 ( 1737 PWs) bands (ev): -10.1357 -10.1357 -8.8941 -8.8941 1.9224 1.9224 3.2002 3.2002 3.9811 3.9811 4.8409 4.8409 5.2650 5.2650 5.6528 5.6528 5.7725 5.7725 6.0390 6.0390 6.2113 6.2113 6.3723 6.3723 6.5442 6.5442 6.7301 6.7301 7.1196 7.1196 7.1593 7.1593 8.6392 8.6392 9.9494 9.9494 10.5157 10.5157 15.0728 15.0728 16.8055 16.8055 k = 0.0397-0.0860 0.0000 ( 1739 PWs) bands (ev): -10.1470 -10.1470 -8.8961 -8.8961 1.9021 1.9021 3.2049 3.2049 3.9715 3.9715 4.8142 4.8142 5.2608 5.2608 5.6992 5.6992 5.8153 5.8153 6.0711 6.0711 6.2199 6.2199 6.3799 6.3799 6.5492 6.5492 6.7044 6.7044 7.1066 7.1066 7.1342 7.1342 8.6358 8.6358 9.9936 9.9936 10.4786 10.4786 15.0191 15.0191 16.8007 16.8007 k = 0.0353-0.0764 0.0000 ( 1741 PWs) bands (ev): -10.1572 -10.1572 -8.8979 -8.8979 1.8838 1.8838 3.2093 3.2093 3.9626 3.9626 4.7900 4.7900 5.2565 5.2565 5.7399 5.7399 5.8575 5.8575 6.1010 6.1010 6.2294 6.2294 6.3845 6.3845 6.5544 6.5544 6.6833 6.6833 7.0721 7.0721 7.1307 7.1307 8.6313 8.6313 10.0349 10.0349 10.4449 10.4449 14.9699 14.9699 16.7963 16.7963 k = 0.0309-0.0669 0.0000 ( 1743 PWs) bands (ev): -10.1662 -10.1662 -8.8995 -8.8995 1.8676 1.8676 3.2133 3.2133 3.9546 3.9546 4.7686 4.7686 5.2525 5.2525 5.7748 5.7748 5.8990 5.8990 6.1281 6.1281 6.2393 6.2393 6.3848 6.3848 6.5601 6.5601 6.6679 6.6679 7.0342 7.0342 7.1311 7.1311 8.6261 8.6261 10.0726 10.0726 10.4146 10.4146 14.9257 14.9257 16.7925 16.7925 k = 0.0265-0.0573 0.0000 ( 1745 PWs) bands (ev): -10.1741 -10.1741 -8.9009 -8.9009 1.8535 1.8535 3.2169 3.2169 3.9476 3.9476 4.7498 4.7498 5.2487 5.2487 5.8038 5.8038 5.9397 5.9397 6.1519 6.1519 6.2488 6.2488 6.3800 6.3800 6.5668 6.5668 6.6591 6.6591 6.9967 6.9967 7.1319 7.1319 8.6205 8.6205 10.1062 10.1062 10.3881 10.3881 14.8866 14.8866 16.7892 16.7892 k = 0.0221-0.0478 0.0000 ( 1745 PWs) bands (ev): -10.1808 -10.1808 -8.9021 -8.9021 1.8416 1.8416 3.2201 3.2201 3.9416 3.9416 4.7339 4.7339 5.2455 5.2455 5.8274 5.8274 5.9795 5.9795 6.1719 6.1719 6.2565 6.2565 6.3706 6.3706 6.5749 6.5749 6.6563 6.6563 6.9606 6.9606 7.1327 7.1327 8.6150 8.6150 10.1354 10.1354 10.3654 10.3654 14.8531 14.8531 16.7864 16.7864 k = 0.0177-0.0382 0.0000 ( 1743 PWs) bands (ev): -10.1863 -10.1863 -8.9031 -8.9031 1.8318 1.8318 3.2228 3.2228 3.9366 3.9366 4.7209 4.7209 5.2428 5.2428 5.8457 5.8457 6.0182 6.0182 6.1878 6.1878 6.2599 6.2599 6.3593 6.3593 6.5843 6.5843 6.6582 6.6582 6.9269 6.9269 7.1334 7.1334 8.6097 8.6097 10.1598 10.1598 10.3468 10.3468 14.8252 14.8252 16.7842 16.7842 k = 0.0132-0.0287 0.0000 ( 1743 PWs) bands (ev): -10.1905 -10.1905 -8.9038 -8.9038 1.8241 1.8241 3.2249 3.2249 3.9327 3.9327 4.7107 4.7107 5.2406 5.2406 5.8593 5.8593 6.0553 6.0553 6.1997 6.1997 6.2555 6.2555 6.3503 6.3503 6.5940 6.5940 6.6630 6.6630 6.8969 6.8969 7.1339 7.1339 8.6052 8.6052 10.1790 10.1790 10.3323 10.3323 14.8033 14.8033 16.7824 16.7824 k = 0.0088-0.0191 0.0000 ( 1745 PWs) bands (ev): -10.1936 -10.1936 -8.9044 -8.9044 1.8187 1.8187 3.2264 3.2264 3.9299 3.9299 4.7034 4.7034 5.2390 5.2390 5.8687 5.8687 6.0898 6.0898 6.2076 6.2076 6.2422 6.2422 6.3460 6.3460 6.6025 6.6025 6.6693 6.6693 6.8722 6.8722 7.1342 7.1342 8.6017 8.6017 10.1928 10.1928 10.3220 10.3220 14.7875 14.7875 16.7811 16.7811 k = 0.0044-0.0096 0.0000 ( 1753 PWs) bands (ev): -10.1954 -10.1954 -8.9047 -8.9047 1.8154 1.8154 3.2272 3.2272 3.9281 3.9281 4.6990 4.6990 5.2380 5.2380 5.8741 5.8741 6.1184 6.1184 6.2115 6.2115 6.2253 6.2253 6.3451 6.3451 6.6083 6.6083 6.6746 6.6746 6.8554 6.8554 7.1344 7.1344 8.5995 8.5995 10.2010 10.2010 10.3158 10.3158 14.7780 14.7780 16.7803 16.7803 k = 0.0000 0.0000 0.0000 ( 1757 PWs) bands (ev): -10.1960 -10.1960 -8.9048 -8.9048 1.8143 1.8143 3.2275 3.2275 3.9275 3.9275 4.6974 4.6974 5.2377 5.2377 5.8758 5.8758 6.1313 6.1313 6.2103 6.2103 6.2184 6.2184 6.3451 6.3451 6.6103 6.6103 6.6768 6.6768 6.8494 6.8494 7.1344 7.1344 8.5988 8.5988 10.2037 10.2037 10.3138 10.3138 14.7748 14.7748 16.7800 16.7800 k = 0.0000 0.0000 0.0000 ( 1757 PWs) bands (ev): -10.1960 -10.1960 -8.9048 -8.9048 1.8143 1.8143 3.2275 3.2275 3.9275 3.9275 4.6974 4.6974 5.2377 5.2377 5.8758 5.8758 6.1313 6.1313 6.2103 6.2103 6.2184 6.2184 6.3451 6.3451 6.6103 6.6103 6.6768 6.6768 6.8494 6.8494 7.1344 7.1344 8.5988 8.5988 10.2037 10.2037 10.3138 10.3138 14.7748 14.7748 16.7800 16.7800 k = 0.0079-0.0067-0.0014 ( 1754 PWs) bands (ev): -10.1955 -10.1955 -8.9047 -8.9047 1.8153 1.8153 3.2273 3.2273 3.9280 3.9280 4.6985 4.6985 5.2378 5.2378 5.8741 5.8741 6.1205 6.1205 6.2082 6.2082 6.2270 6.2270 6.3451 6.3451 6.6080 6.6080 6.6757 6.6757 6.8545 6.8545 7.1346 7.1346 8.5995 8.5995 10.2015 10.2015 10.3158 10.3158 14.7778 14.7778 16.7804 16.7804 k = 0.0159-0.0135-0.0028 ( 1745 PWs) bands (ev): -10.1938 -10.1938 -8.9044 -8.9044 1.8185 1.8185 3.2266 3.2266 3.9293 3.9293 4.7018 4.7018 5.2380 5.2380 5.8686 5.8686 6.0960 6.0960 6.2024 6.2024 6.2438 6.2438 6.3456 6.3456 6.6014 6.6014 6.6734 6.6734 6.8686 6.8686 7.1351 7.1351 8.6017 8.6017 10.1948 10.1948 10.3219 10.3219 14.7869 14.7869 16.7816 16.7816 k = 0.0238-0.0202-0.0043 ( 1746 PWs) bands (ev): -10.1910 -10.1910 -8.9040 -8.9040 1.8237 1.8237 3.2254 3.2254 3.9314 3.9314 4.7072 4.7072 5.2384 5.2384 5.8594 5.8594 6.0662 6.0662 6.1923 6.1923 6.2583 6.2583 6.3490 6.3490 6.5917 6.5917 6.6713 6.6713 6.8893 6.8893 7.1360 7.1360 8.6052 8.6052 10.1835 10.1835 10.3322 10.3322 14.8019 14.8019 16.7835 16.7835 k = 0.0317-0.0270-0.0057 ( 1745 PWs) bands (ev): -10.1871 -10.1871 -8.9033 -8.9033 1.8309 1.8309 3.2237 3.2237 3.9343 3.9343 4.7146 4.7146 5.2388 5.2388 5.8461 5.8461 6.0342 6.0342 6.1777 6.1777 6.2656 6.2656 6.3572 6.3572 6.5805 6.5805 6.6707 6.6707 6.9144 6.9144 7.1375 7.1375 8.6097 8.6097 10.1678 10.1678 10.3468 10.3468 14.8227 14.8227 16.7863 16.7863 k = 0.0397-0.0337-0.0071 ( 1746 PWs) bands (ev): -10.1821 -10.1821 -8.9025 -8.9025 1.8403 1.8403 3.2216 3.2216 3.9379 3.9379 4.7242 4.7242 5.2393 5.2393 5.8285 5.8285 6.0011 6.0011 6.1588 6.1588 6.2658 6.2658 6.3690 6.3690 6.5692 6.5692 6.6727 6.6727 6.9419 6.9419 7.1395 7.1395 8.6146 8.6146 10.1478 10.1478 10.3657 10.3657 14.8492 14.8492 16.7898 16.7898 k = 0.0476-0.0405-0.0085 ( 1744 PWs) bands (ev): -10.1760 -10.1760 -8.9015 -8.9015 1.8516 1.8516 3.2190 3.2190 3.9424 3.9424 4.7358 4.7358 5.2396 5.2396 5.8066 5.8066 5.9670 5.9670 6.1361 6.1361 6.2615 6.2615 6.3809 6.3809 6.5589 6.5589 6.6780 6.6780 6.9704 6.9704 7.1426 7.1426 8.6198 8.6198 10.1240 10.1240 10.3889 10.3889 14.8810 14.8810 16.7942 16.7942 k = 0.0556-0.0472-0.0099 ( 1744 PWs) bands (ev): -10.1688 -10.1688 -8.9002 -8.9002 1.8650 1.8650 3.2159 3.2159 3.9476 3.9476 4.7496 4.7496 5.2399 5.2399 5.7802 5.7802 5.9317 5.9317 6.1109 6.1109 6.2549 6.2549 6.3900 6.3900 6.5502 6.5502 6.6873 6.6873 6.9986 6.9986 7.1472 7.1472 8.6246 8.6246 10.0965 10.0965 10.4163 10.4163 14.9181 14.9181 16.7993 16.7993 k = 0.0635-0.0540-0.0114 ( 1744 PWs) bands (ev): -10.1605 -10.1605 -8.8989 -8.8989 1.8803 1.8803 3.2124 3.2124 3.9535 3.9535 4.7653 4.7653 5.2398 5.2398 5.7496 5.7496 5.8946 5.8946 6.0845 6.0845 6.2470 6.2470 6.3950 6.3950 6.5431 6.5431 6.7009 6.7009 7.0253 7.0253 7.1540 7.1540 8.6287 8.6287 10.0658 10.0658 10.4479 10.4479 14.9600 14.9600 16.8054 16.8054 k = 0.0714-0.0607-0.0128 ( 1743 PWs) bands (ev): -10.1512 -10.1512 -8.8973 -8.8973 1.8976 1.8976 3.2085 3.2085 3.9600 3.9600 4.7829 4.7829 5.2392 5.2392 5.7150 5.7150 5.8555 5.8555 6.0581 6.0581 6.2384 6.2384 6.3960 6.3960 6.5372 6.5372 6.7186 6.7186 7.0490 7.0490 7.1643 7.1643 8.6314 8.6314 10.0325 10.0325 10.4835 10.4835 15.0064 15.0064 16.8123 16.8123 k = 0.0794-0.0675-0.0142 ( 1741 PWs) bands (ev): -10.1408 -10.1408 -8.8956 -8.8956 1.9168 1.9168 3.2042 3.2042 3.9671 3.9671 4.8025 4.8025 5.2379 5.2379 5.6762 5.6762 5.8147 5.8147 6.0326 6.0326 6.2295 6.2295 6.3936 6.3936 6.5323 6.5323 6.7396 6.7396 7.0685 7.0685 7.1790 7.1790 8.6324 8.6324 9.9968 9.9968 10.5230 10.5230 15.0571 15.0571 16.8202 16.8202 k = 0.0873-0.0742-0.0156 ( 1742 PWs) bands (ev): -10.1294 -10.1294 -8.8937 -8.8937 1.9378 1.9378 3.1995 3.1995 3.9748 3.9748 4.8239 4.8239 5.2353 5.2353 5.6333 5.6333 5.7733 5.7733 6.0082 6.0082 6.2203 6.2203 6.3886 6.3886 6.5281 6.5281 6.7628 6.7628 7.0836 7.0836 7.1982 7.1982 8.6314 8.6314 9.9595 9.9595 10.5662 10.5662 15.1118 15.1118 16.8290 16.8290 k = 0.0952-0.0810-0.0170 ( 1742 PWs) bands (ev): -10.1170 -10.1170 -8.8916 -8.8916 1.9606 1.9606 3.1944 3.1944 3.9829 3.9829 4.8470 4.8470 5.2311 5.2311 5.5861 5.5861 5.7326 5.7326 5.9849 5.9849 6.2111 6.2111 6.3818 6.3818 6.5243 6.5243 6.7871 6.7871 7.0953 7.0953 7.2210 7.2210 8.6279 8.6279 9.9209 9.9209 10.6129 10.6129 15.1699 15.1699 16.8388 16.8388 k = 0.1032-0.0877-0.0185 ( 1742 PWs) bands (ev): -10.1036 -10.1036 -8.8893 -8.8893 1.9852 1.9852 3.1891 3.1891 3.9914 3.9914 4.8716 4.8716 5.2243 5.2243 5.5349 5.5349 5.6941 5.6941 5.9627 5.9627 6.2020 6.2020 6.3738 6.3738 6.5212 6.5212 6.8116 6.8116 7.1052 7.1052 7.2460 7.2460 8.6217 8.6217 9.8816 9.8816 10.6629 10.6629 15.2313 15.2313 16.8497 16.8497 k = 0.1111-0.0945-0.0199 ( 1739 PWs) bands (ev): -10.0893 -10.0893 -8.8869 -8.8869 2.0115 2.0115 3.1834 3.1834 4.0002 4.0002 4.8976 4.8976 5.2140 5.2140 5.4809 5.4809 5.6589 5.6589 5.9413 5.9413 6.1932 6.1932 6.3648 6.3648 6.5187 6.5187 6.8351 6.8351 7.1148 7.1148 7.2718 7.2718 8.6126 8.6126 9.8422 9.8422 10.7159 10.7159 15.2955 15.2955 16.8616 16.8616 k = 0.1190-0.1012-0.0213 ( 1739 PWs) bands (ev): -10.0740 -10.0740 -8.8844 -8.8844 2.0394 2.0394 3.1775 3.1775 4.0092 4.0092 4.9245 4.9245 5.1985 5.1985 5.4260 5.4260 5.6276 5.6276 5.9207 5.9207 6.1847 6.1847 6.3550 6.3550 6.5170 6.5170 6.8568 6.8568 7.1253 7.1253 7.2977 7.2977 8.6005 8.6005 9.8030 9.8030 10.7717 10.7717 15.3622 15.3622 16.8746 16.8746 k = 0.1270-0.1080-0.0227 ( 1740 PWs) bands (ev): -10.0579 -10.0579 -8.8817 -8.8817 2.0689 2.0689 3.1714 3.1714 4.0183 4.0183 4.9518 4.9518 5.1758 5.1758 5.3730 5.3730 5.6004 5.6004 5.9007 5.9007 6.1767 6.1767 6.3447 6.3447 6.5161 6.5161 6.8758 6.8758 7.1375 7.1375 7.3229 7.3229 8.5852 8.5852 9.7647 9.7647 10.8300 10.8300 15.4311 15.4311 16.8888 16.8888 k = 0.1349-0.1147-0.0241 ( 1735 PWs) bands (ev): -10.0408 -10.0408 -8.8788 -8.8788 2.0999 2.0999 3.1652 3.1652 4.0272 4.0272 4.9779 4.9779 5.1445 5.1445 5.3251 5.3251 5.5777 5.5777 5.8815 5.8815 6.1693 6.1693 6.3339 6.3339 6.5161 6.5161 6.8917 6.8917 7.1519 7.1519 7.3472 7.3472 8.5668 8.5668 9.7277 9.7277 10.8905 10.8905 15.5019 15.5019 16.9041 16.9041 k = 0.1429-0.1215-0.0255 ( 1737 PWs) bands (ev): -10.0230 -10.0230 -8.8759 -8.8759 2.1323 2.1323 3.1588 3.1588 4.0358 4.0358 4.9981 4.9981 5.1077 5.1077 5.2844 5.2844 5.5593 5.5593 5.8631 5.8631 6.1622 6.1622 6.3227 6.3227 6.5170 6.5170 6.9041 6.9041 7.1686 7.1686 7.3702 7.3702 8.5453 8.5453 9.6923 9.6923 10.9529 10.9529 15.5740 15.5740 16.9206 16.9206 k = 0.1508-0.1282-0.0270 ( 1739 PWs) bands (ev): -10.0043 -10.0043 -8.8727 -8.8727 2.1660 2.1660 3.1524 3.1524 4.0438 4.0438 4.9938 4.9938 5.0844 5.0844 5.2508 5.2508 5.5451 5.5451 5.8458 5.8458 6.1556 6.1556 6.3115 6.3115 6.5187 6.5187 6.9132 6.9132 7.1874 7.1874 7.3919 7.3919 8.5209 8.5209 9.6589 9.6589 11.0171 11.0171 15.6473 15.6473 16.9385 16.9385 k = 0.1587-0.1350-0.0284 ( 1742 PWs) bands (ev): -9.9848 -9.9848 -8.8695 -8.8695 2.2010 2.2010 3.1459 3.1459 4.0510 4.0510 4.9501 4.9501 5.0907 5.0907 5.2238 5.2238 5.5348 5.5348 5.8301 5.8301 6.1493 6.1493 6.3003 6.3003 6.5213 6.5213 6.9191 6.9191 7.2076 7.2076 7.4123 7.4123 8.4938 8.4938 9.6277 9.6277 11.0827 11.0827 15.7213 15.7213 16.9575 16.9575 k = 0.1667-0.1417-0.0298 ( 1743 PWs) bands (ev): -9.9647 -9.9647 -8.8662 -8.8662 2.2372 2.2372 3.1394 3.1394 4.0568 4.0568 4.8894 4.8894 5.1018 5.1018 5.2066 5.2066 5.5276 5.5276 5.8162 5.8162 6.1434 6.1434 6.2895 6.2895 6.5246 6.5246 6.9224 6.9224 7.2286 7.2286 7.4315 7.4315 8.4643 8.4643 9.5990 9.5990 11.1495 11.1495 15.7958 15.7958 16.9780 16.9780 k = 0.1746-0.1485-0.0312 ( 1744 PWs) bands (ev): -9.9438 -9.9438 -8.8627 -8.8627 2.2744 2.2744 3.1331 3.1331 4.0608 4.0608 4.8239 4.8239 5.0992 5.0992 5.2059 5.2059 5.5231 5.5231 5.8047 5.8047 6.1376 6.1376 6.2794 6.2794 6.5286 6.5286 6.9234 6.9234 7.2494 7.2494 7.4496 7.4496 8.4330 8.4330 9.5728 9.5728 11.2173 11.2173 15.8703 15.8703 16.9998 16.9998 k = 0.1825-0.1552-0.0326 ( 1745 PWs) bands (ev): -9.9223 -9.9223 -8.8591 -8.8591 2.3126 2.3126 3.1269 3.1269 4.0622 4.0622 4.7579 4.7579 5.0810 5.0810 5.2204 5.2204 5.5207 5.5207 5.7962 5.7962 6.1318 6.1318 6.2702 6.2702 6.5333 6.5333 6.9227 6.9227 7.2690 7.2690 7.4671 7.4671 8.4002 8.4002 9.5492 9.5492 11.2859 11.2859 15.9444 15.9444 17.0229 17.0229 k = 0.1905-0.1620-0.0341 ( 1740 PWs) bands (ev): -9.9002 -9.9002 -8.8555 -8.8555 2.3518 2.3518 3.1210 3.1210 4.0601 4.0601 4.6936 4.6936 5.0549 5.0549 5.2406 5.2406 5.5203 5.5203 5.7912 5.7912 6.1257 6.1257 6.2624 6.2624 6.5385 6.5385 6.9205 6.9205 7.2865 7.2865 7.4845 7.4845 8.3664 8.3664 9.5283 9.5283 11.3552 11.3552 16.0179 16.0179 17.0475 17.0475 k = 0.1984-0.1687-0.0355 ( 1740 PWs) bands (ev): -9.8775 -9.8775 -8.8517 -8.8517 2.3916 2.3916 3.1154 3.1154 4.0530 4.0530 4.6332 4.6332 5.0254 5.0254 5.2603 5.2603 5.5220 5.5220 5.7901 5.7901 6.1193 6.1193 6.2563 6.2563 6.5443 6.5443 6.9170 6.9170 7.3009 7.3009 7.5023 7.5023 8.3323 8.3323 9.5098 9.5098 11.4249 11.4249 16.0903 16.0903 17.0734 17.0734 k = 0.2063-0.1755-0.0369 ( 1742 PWs) bands (ev): -9.8543 -9.8543 -8.8479 -8.8479 2.4322 2.4322 3.1100 3.1100 4.0397 4.0397 4.5785 4.5785 4.9945 4.9945 5.2762 5.2762 5.5263 5.5263 5.7932 5.7932 6.1124 6.1124 6.2520 6.2520 6.5505 6.5505 6.9124 6.9124 7.3114 7.3114 7.5210 7.5210 8.2983 8.2983 9.4935 9.4935 11.4949 11.4949 16.1613 16.1613 17.1007 17.1007 k = 0.2143-0.1822-0.0383 ( 1741 PWs) bands (ev): -9.8307 -9.8307 -8.8440 -8.8440 2.4733 2.4733 3.1051 3.1051 4.0185 4.0185 4.5314 4.5314 4.9630 4.9630 5.2865 5.2865 5.5338 5.5338 5.8005 5.8005 6.1050 6.1050 6.2498 6.2498 6.5571 6.5571 6.9070 6.9070 7.3176 7.3176 7.5411 7.5411 8.2650 8.2650 9.4796 9.4796 11.5652 11.5652 16.2304 16.2304 17.1294 17.1294 k = 0.2222-0.1890-0.0397 ( 1738 PWs) bands (ev): -9.8066 -9.8066 -8.8400 -8.8400 2.5149 2.5149 3.1007 3.1007 3.9884 3.9884 4.4932 4.4932 4.9314 4.9314 5.2902 5.2902 5.5446 5.5446 5.8118 5.8118 6.0974 6.0974 6.2497 6.2497 6.5641 6.5641 6.9008 6.9008 7.3194 7.3194 7.5626 7.5626 8.2330 8.2330 9.4676 9.4676 11.6356 11.6356 16.2974 16.2974 17.1593 17.1593 k = 0.2302-0.1957-0.0412 ( 1740 PWs) bands (ev): -9.7822 -9.7822 -8.8360 -8.8360 2.5567 2.5567 3.0967 3.0967 3.9493 3.9493 4.4642 4.4642 4.8999 4.8999 5.2871 5.2871 5.5585 5.5585 5.8265 5.8265 6.0899 6.0899 6.2517 6.2517 6.5713 6.5713 6.8937 6.8937 7.3171 7.3171 7.5853 7.5853 8.2026 8.2026 9.4574 9.4574 11.7060 11.7060 16.3617 16.3617 17.1904 17.1904 k = 0.2381-0.2025-0.0426 ( 1742 PWs) bands (ev): -9.7575 -9.7575 -8.8320 -8.8320 2.5988 2.5988 3.0933 3.0933 3.9019 3.9019 4.4437 4.4437 4.8688 4.8688 5.2781 5.2781 5.5744 5.5744 5.8436 5.8436 6.0829 6.0829 6.2558 6.2558 6.5789 6.5789 6.8859 6.8859 7.3112 7.3112 7.6089 7.6089 8.1743 8.1743 9.4489 9.4489 11.7765 11.7765 16.4231 16.4231 17.2226 17.2226 k = 0.2460-0.2092-0.0440 ( 1741 PWs) bands (ev): -9.7326 -9.7326 -8.8279 -8.8279 2.6410 2.6410 3.0905 3.0905 3.8479 3.8479 4.4303 4.4303 4.8384 4.8384 5.2643 5.2643 5.5915 5.5915 5.8622 5.8622 6.0770 6.0770 6.2619 6.2619 6.5866 6.5866 6.8773 6.8773 7.3025 7.3025 7.6333 7.6333 8.1485 8.1485 9.4417 9.4417 11.8469 11.8469 16.4812 16.4812 17.2557 17.2557 k = 0.2540-0.2160-0.0454 ( 1740 PWs) bands (ev): -9.7074 -9.7074 -8.8239 -8.8239 2.6831 2.6831 3.0883 3.0883 3.7890 3.7890 4.4221 4.4221 4.8087 4.8087 5.2467 5.2467 5.6090 5.6090 5.8808 5.8808 6.0729 6.0729 6.2700 6.2700 6.5945 6.5945 6.8680 6.8680 7.2917 7.2917 7.6580 7.6580 8.1253 8.1253 9.4358 9.4358 11.9172 11.9172 16.5357 16.5357 17.2894 17.2894 k = 0.2619-0.2227-0.0468 ( 1737 PWs) bands (ev): -9.6821 -9.6821 -8.8198 -8.8198 2.7250 2.7250 3.0868 3.0868 3.7269 3.7269 4.4177 4.4177 4.7799 4.7799 5.2260 5.2260 5.6263 5.6263 5.8979 5.8979 6.0714 6.0714 6.2801 6.2801 6.6024 6.6024 6.8581 6.8581 7.2795 7.2795 7.6828 7.6828 8.1050 8.1050 9.4308 9.4308 11.9876 11.9876 16.5863 16.5863 17.3235 17.3235 k = 0.2698-0.2295-0.0483 ( 1734 PWs) bands (ev): -9.6568 -9.6568 -8.8157 -8.8157 2.7667 2.7667 3.0859 3.0859 3.6630 3.6630 4.4158 4.4158 4.7522 4.7522 5.2029 5.2029 5.6430 5.6430 5.9120 5.9120 6.0729 6.0729 6.2922 6.2922 6.6103 6.6103 6.8476 6.8476 7.2667 7.2667 7.7075 7.7075 8.0878 8.0878 9.4266 9.4266 12.0579 12.0579 16.6327 16.6327 17.3576 17.3576 k = 0.2778-0.2362-0.0497 ( 1735 PWs) bands (ev): -9.6315 -9.6315 -8.8116 -8.8116 2.8078 2.8078 3.0856 3.0856 3.5982 3.5982 4.4152 4.4152 4.7258 4.7258 5.1778 5.1778 5.6590 5.6590 5.9224 5.9224 6.0776 6.0776 6.3062 6.3062 6.6180 6.6180 6.8369 6.8369 7.2538 7.2538 7.7320 7.7320 8.0738 8.0738 9.4230 9.4230 12.1282 12.1282 16.6746 16.6746 17.3914 17.3914 k = 0.2857-0.2430-0.0511 ( 1734 PWs) bands (ev): -9.6062 -9.6062 -8.8076 -8.8076 2.8483 2.8483 3.0857 3.0857 3.5336 3.5336 4.4152 4.4152 4.7009 4.7009 5.1510 5.1510 5.6741 5.6741 5.9290 5.9290 6.0847 6.0847 6.3220 6.3220 6.6255 6.6255 6.8264 6.8264 7.2413 7.2413 7.7562 7.7562 8.0630 8.0630 9.4198 9.4198 12.1986 12.1986 16.7119 16.7119 17.4243 17.4243 k = 0.2937-0.2497-0.0525 ( 1738 PWs) bands (ev): -9.5811 -9.5811 -8.8036 -8.8036 2.8880 2.8880 3.0862 3.0862 3.4701 3.4701 4.4151 4.4151 4.6776 4.6776 5.1227 5.1227 5.6883 5.6883 5.9324 5.9324 6.0931 6.0931 6.3390 6.3390 6.6325 6.6325 6.8165 6.8165 7.2296 7.2296 7.7798 7.7798 8.0558 8.0558 9.4169 9.4169 12.2693 12.2693 16.7442 16.7442 17.4559 17.4559 k = 0.3016-0.2565-0.0539 ( 1737 PWs) bands (ev): -9.5561 -9.5561 -8.7996 -8.7996 2.9267 2.9267 3.0867 3.0867 3.4085 3.4085 4.4142 4.4142 4.6564 4.6564 5.0932 5.0932 5.7016 5.7016 5.9339 5.9339 6.1017 6.1017 6.3569 6.3569 6.6390 6.6390 6.8081 6.8081 7.2188 7.2188 7.8029 7.8029 8.0521 8.0521 9.4140 9.4140 12.3401 12.3401 16.7712 16.7712 17.4858 17.4858 k = 0.3095-0.2632-0.0554 ( 1739 PWs) bands (ev): -9.5314 -9.5314 -8.7958 -8.7958 2.9641 2.9641 3.0863 3.0863 3.3502 3.3502 4.4121 4.4121 4.6374 4.6374 5.0625 5.0625 5.7139 5.7139 5.9341 5.9341 6.1093 6.1093 6.3747 6.3747 6.6450 6.6450 6.8018 6.8018 7.2088 7.2088 7.8255 7.8255 8.0521 8.0521 9.4111 9.4111 12.4114 12.4114 16.7927 16.7927 17.5135 17.5135 k = 0.3175-0.2700-0.0568 ( 1743 PWs) bands (ev): -9.5070 -9.5070 -8.7919 -8.7919 2.9994 2.9994 3.0839 3.0839 3.2973 3.2973 4.4082 4.4082 4.6209 4.6209 5.0306 5.0306 5.7252 5.7252 5.9339 5.9339 6.1155 6.1155 6.3914 6.3914 6.6507 6.6507 6.7982 6.7982 7.1995 7.1995 7.8474 7.8474 8.0559 8.0559 9.4079 9.4079 12.4831 12.4831 16.8083 16.8083 17.5384 17.5384 k = 0.3254-0.2767-0.0582 ( 1744 PWs) bands (ev): -9.4830 -9.4830 -8.7882 -8.7882 3.0302 3.0302 3.0785 3.0785 3.2536 3.2536 4.4023 4.4023 4.6072 4.6072 4.9979 4.9979 5.7357 5.7357 5.9338 5.9338 6.1201 6.1201 6.4058 6.4058 6.6566 6.6566 6.7977 6.7977 7.1907 7.1907 7.8686 7.8686 8.0636 8.0636 9.4044 9.4044 12.5554 12.5554 16.8175 16.8175 17.5603 17.5603 k = 0.3333-0.2835-0.0596 ( 1742 PWs) bands (ev): -9.4594 -9.4594 -8.7846 -8.7846 3.0393 3.0393 3.0824 3.0824 3.2239 3.2239 4.3944 4.3944 4.5962 4.5962 4.9642 4.9642 5.7452 5.7452 5.9341 5.9341 6.1231 6.1231 6.4173 6.4173 6.6636 6.6636 6.8002 6.8002 7.1821 7.1821 7.8892 7.8892 8.0752 8.0752 9.4005 9.4005 12.6285 12.6285 16.8199 16.8199 17.5788 17.5788 k = 0.3413-0.2902-0.0610 ( 1747 PWs) bands (ev): -9.4364 -9.4364 -8.7811 -8.7811 3.0137 3.0137 3.1060 3.1060 3.2107 3.2107 4.3843 4.3843 4.5878 4.5878 4.9297 4.9297 5.7538 5.7538 5.9349 5.9349 6.1244 6.1244 6.4250 6.4250 6.6724 6.6724 6.8053 6.8053 7.1737 7.1737 7.9089 7.9089 8.0907 8.0907 9.3960 9.3960 12.7025 12.7025 16.8148 16.8148 17.5934 17.5934 k = 0.3492-0.2970-0.0625 ( 1747 PWs) bands (ev): -9.4140 -9.4140 -8.7776 -8.7776 2.9743 2.9743 3.1311 3.1311 3.2118 3.2118 4.3724 4.3724 4.5816 4.5816 4.8945 4.8945 5.7615 5.7615 5.9366 5.9366 6.1245 6.1245 6.4289 6.4289 6.6832 6.6832 6.8127 6.8127 7.1651 7.1651 7.9277 7.9277 8.1100 8.1100 9.3909 9.3909 12.7775 12.7775 16.8016 16.8016 17.6041 17.6041 k = 0.3571-0.3037-0.0639 ( 1747 PWs) bands (ev): -9.3922 -9.3922 -8.7744 -8.7744 2.9297 2.9297 3.1528 3.1528 3.2231 3.2231 4.3592 4.3592 4.5773 4.5773 4.8588 4.8588 5.7683 5.7683 5.9393 5.9393 6.1233 6.1233 6.4294 6.4294 6.6959 6.6959 6.8218 6.8218 7.1564 7.1564 7.9455 7.9455 8.1329 8.1329 9.3851 9.3851 12.8536 12.8536 16.7797 16.7797 17.6108 17.6108 k = 0.3651-0.3105-0.0653 ( 1747 PWs) bands (ev): -9.3711 -9.3711 -8.7712 -8.7712 2.8837 2.8837 3.1709 3.1709 3.2413 3.2413 4.3448 4.3448 4.5744 4.5744 4.8227 4.8227 5.7741 5.7741 5.9431 5.9431 6.1211 6.1211 6.4272 6.4272 6.7098 6.7098 6.8322 6.8322 7.1475 7.1475 7.9624 7.9624 8.1591 8.1591 9.3786 9.3786 12.9310 12.9310 16.7483 16.7483 17.6134 17.6134 k = 0.3730-0.3172-0.0667 ( 1744 PWs) bands (ev): -9.3509 -9.3509 -8.7682 -8.7682 2.8381 2.8381 3.1870 3.1870 3.2630 3.2630 4.3298 4.3298 4.5726 4.5726 4.7865 4.7865 5.7788 5.7788 5.9482 5.9482 6.1181 6.1181 6.4231 6.4231 6.7244 6.7244 6.8435 6.8435 7.1387 7.1387 7.9781 7.9781 8.1883 8.1883 9.3713 9.3713 13.0098 13.0098 16.7070 16.7070 17.6122 17.6122 k = 0.3810-0.3240-0.0681 ( 1745 PWs) bands (ev): -9.3314 -9.3314 -8.7653 -8.7653 2.7937 2.7937 3.2022 3.2022 3.2861 3.2861 4.3144 4.3144 4.5713 4.5713 4.7506 4.7506 5.7826 5.7826 5.9548 5.9548 6.1144 6.1144 6.4176 6.4176 6.7389 6.7389 6.8552 6.8552 7.1300 7.1300 7.9929 7.9929 8.2199 8.2199 9.3632 9.3632 13.0901 13.0901 16.6554 16.6554 17.6076 17.6076 k = 0.3889-0.3307-0.0695 ( 1743 PWs) bands (ev): -9.3129 -9.3129 -8.7626 -8.7626 2.7511 2.7511 3.2175 3.2175 3.3091 3.3091 4.2988 4.2988 4.5701 4.5701 4.7153 4.7153 5.7852 5.7852 5.9628 5.9628 6.1103 6.1103 6.4112 6.4112 6.7529 6.7529 6.8669 6.8669 7.1218 7.1218 8.0065 8.0065 8.2535 8.2535 9.3543 9.3543 13.1719 13.1719 16.5934 16.5934 17.6001 17.6001 k = 0.3968-0.3375-0.0710 ( 1746 PWs) bands (ev): -9.2954 -9.2954 -8.7601 -8.7601 2.7107 2.7107 3.2329 3.2329 3.3314 3.3314 4.2832 4.2832 4.5685 4.5685 4.6813 4.6813 5.7869 5.7869 5.9724 5.9724 6.1058 6.1058 6.4041 6.4041 6.7660 6.7660 6.8780 6.8780 7.1146 7.1146 8.0192 8.0192 8.2884 8.2884 9.3447 9.3447 13.2551 13.2551 16.5214 16.5214 17.5902 17.5902 k = 0.4048-0.3442-0.0724 ( 1746 PWs) bands (ev): -9.2789 -9.2789 -8.7578 -8.7578 2.6727 2.6727 3.2487 3.2487 3.3527 3.3527 4.2677 4.2677 4.5652 4.5652 4.6501 4.6501 5.7876 5.7876 5.9834 5.9834 6.1011 6.1011 6.3965 6.3965 6.7782 6.7782 6.8880 6.8880 7.1087 7.1087 8.0308 8.0308 8.3242 8.3242 9.3343 9.3343 13.3399 13.3399 16.4403 16.4403 17.5788 17.5788 k = 0.4127-0.3509-0.0738 ( 1746 PWs) bands (ev): -9.2635 -9.2635 -8.7556 -8.7556 2.6373 2.6373 3.2646 3.2646 3.3727 3.3727 4.2523 4.2523 4.5580 4.5580 4.6243 4.6243 5.7877 5.7877 5.9957 5.9957 6.0964 6.0964 6.3886 6.3886 6.7893 6.7893 6.8962 6.8962 7.1046 7.1046 8.0415 8.0415 8.3602 8.3602 9.3234 9.3234 13.4260 13.4260 16.3512 16.3512 17.5665 17.5665 k = 0.4206-0.3577-0.0752 ( 1743 PWs) bands (ev): -9.2492 -9.2492 -8.7536 -8.7536 2.6047 2.6047 3.2805 3.2805 3.3915 3.3915 4.2372 4.2372 4.5434 4.5434 4.6075 4.6075 5.7872 5.7872 6.0090 6.0090 6.0918 6.0918 6.3803 6.3803 6.7995 6.7995 6.9022 6.9022 7.1026 7.1026 8.0512 8.0512 8.3960 8.3960 9.3120 9.3120 13.5131 13.5131 16.2555 16.2555 17.5539 17.5539 k = 0.4286-0.3644-0.0766 ( 1744 PWs) bands (ev): -9.2361 -9.2361 -8.7518 -8.7518 2.5749 2.5749 3.2962 3.2962 3.4088 3.4088 4.2223 4.2223 4.5219 4.5219 4.5994 4.5994 5.7862 5.7862 6.0229 6.0229 6.0877 6.0877 6.3715 6.3715 6.8086 6.8086 6.9058 6.9058 7.1028 7.1028 8.0599 8.0599 8.4309 8.4309 9.3002 9.3002 13.6010 13.6010 16.1552 16.1552 17.5415 17.5415 k = 0.4365-0.3712-0.0781 ( 1744 PWs) bands (ev): -9.2243 -9.2243 -8.7501 -8.7501 2.5480 2.5480 3.3115 3.3115 3.4248 3.4248 4.2079 4.2079 4.4978 4.4978 4.5962 4.5962 5.7851 5.7851 6.0367 6.0367 6.0846 6.0846 6.3622 6.3622 6.8169 6.8169 6.9070 6.9070 7.1050 7.1050 8.0676 8.0676 8.4645 8.4645 9.2882 9.2882 13.6889 13.6889 16.0521 16.0521 17.5297 17.5297 k = 0.4444-0.3779-0.0795 ( 1742 PWs) bands (ev): -9.2137 -9.2137 -8.7487 -8.7487 2.5242 2.5242 3.3259 3.3259 3.4394 3.4394 4.1939 4.1939 4.4743 4.4743 4.5952 4.5952 5.7838 5.7838 6.0488 6.0488 6.0839 6.0839 6.3526 6.3526 6.8244 6.8244 6.9061 6.9061 7.1087 7.1087 8.0745 8.0745 8.4961 8.4961 9.2764 9.2764 13.7761 13.7761 15.9484 15.9484 17.5188 17.5188 k = 0.4524-0.3847-0.0809 ( 1741 PWs) bands (ev): -9.2045 -9.2045 -8.7474 -8.7474 2.5033 2.5033 3.3393 3.3393 3.4525 3.4525 4.1807 4.1807 4.4527 4.4527 4.5951 4.5951 5.7825 5.7825 6.0563 6.0563 6.0882 6.0882 6.3427 6.3427 6.8312 6.8312 6.9037 6.9037 7.1134 7.1134 8.0804 8.0804 8.5251 8.5251 9.2649 9.2649 13.8613 13.8613 15.8466 15.8466 17.5091 17.5091 k = 0.4603-0.3914-0.0823 ( 1741 PWs) bands (ev): -9.1966 -9.1966 -8.7464 -8.7464 2.4857 2.4857 3.3512 3.3512 3.4640 3.4640 4.1685 4.1685 4.4339 4.4339 4.5953 4.5953 5.7813 5.7813 6.0583 6.0583 6.0981 6.0981 6.3326 6.3326 6.8374 6.8374 6.9003 6.9003 7.1185 7.1185 8.0854 8.0854 8.5512 8.5512 9.2541 9.2541 13.9427 13.9427 15.7494 15.7494 17.5007 17.5007 k = 0.4683-0.3982-0.0837 ( 1741 PWs) bands (ev): -9.1901 -9.1901 -8.7455 -8.7455 2.4711 2.4711 3.3613 3.3613 3.4738 3.4738 4.1576 4.1576 4.4182 4.4182 4.5958 4.5958 5.7803 5.7803 6.0576 6.0576 6.1103 6.1103 6.3227 6.3227 6.8429 6.8429 6.8962 6.8962 7.1233 7.1233 8.0894 8.0894 8.5735 8.5735 9.2445 9.2445 14.0179 14.0179 15.6602 15.6602 17.4936 17.4936 k = 0.4762-0.4049-0.0852 ( 1741 PWs) bands (ev): -9.1850 -9.1850 -8.7449 -8.7449 2.4598 2.4598 3.3695 3.3695 3.4818 3.4818 4.1484 4.1484 4.4058 4.4058 4.5962 4.5962 5.7794 5.7794 6.0562 6.0562 6.1222 6.1222 6.3136 6.3136 6.8478 6.8478 6.8922 6.8922 7.1275 7.1275 8.0926 8.0926 8.5917 8.5917 9.2364 9.2364 14.0835 14.0835 15.5829 15.5829 17.4881 17.4881 k = 0.4841-0.4117-0.0866 ( 1740 PWs) bands (ev): -9.1814 -9.1814 -8.7444 -8.7444 2.4517 2.4517 3.3755 3.3755 3.4877 3.4877 4.1415 4.1415 4.3969 4.3969 4.5966 4.5966 5.7788 5.7788 6.0549 6.0549 6.1322 6.1322 6.3060 6.3060 6.8518 6.8518 6.8885 6.8885 7.1308 7.1308 8.0948 8.0948 8.6050 8.6050 9.2302 9.2302 14.1355 14.1355 15.5223 15.5223 17.4841 17.4841 k = 0.4921-0.4184-0.0880 ( 1744 PWs) bands (ev): -9.1792 -9.1792 -8.7441 -8.7441 2.4468 2.4468 3.3791 3.3791 3.4913 3.4913 4.1372 4.1372 4.3916 4.3916 4.5968 4.5968 5.7784 5.7784 6.0541 6.0541 6.1388 6.1388 6.3008 6.3008 6.8546 6.8546 6.8858 6.8858 7.1328 7.1328 8.0962 8.0962 8.6133 8.6133 9.2264 9.2264 14.1692 14.1692 15.4832 15.4832 17.4817 17.4817 k = 0.5000-0.4252-0.0894 ( 1746 PWs) bands (ev): -9.1785 -9.1785 -8.7440 -8.7440 2.4452 2.4452 3.3803 3.3803 3.4925 3.4925 4.1357 4.1357 4.3898 4.3898 4.5968 4.5968 5.7783 5.7783 6.0537 6.0537 6.1411 6.1411 6.2990 6.2990 6.8557 6.8557 6.8848 6.8848 7.1334 7.1334 8.0966 8.0966 8.6160 8.6160 9.2250 9.2250 14.1809 14.1809 15.4697 15.4697 17.4809 17.4809 k = 0.5000-0.4252 0.2102 ( 1758 PWs) bands (ev): -9.1050 -9.1050 -8.8234 -8.8234 2.1005 2.1005 3.4176 3.4176 3.7783 3.7783 3.9337 3.9337 4.8491 4.8491 5.1748 5.1748 5.6921 5.6921 6.1029 6.1029 6.2346 6.2346 6.3355 6.3355 6.4266 6.4266 6.6286 6.6286 6.8475 6.8475 7.2984 7.2984 9.1114 9.1114 9.8706 9.8706 13.3458 13.3458 16.0017 16.0017 16.9570 16.9570 k = 0.4923-0.4186 0.2069 ( 1757 PWs) bands (ev): -9.1057 -9.1057 -8.8234 -8.8234 2.1023 2.1023 3.4164 3.4164 3.7767 3.7767 3.9372 3.9372 4.8434 4.8434 5.1779 5.1779 5.6923 5.6923 6.1032 6.1032 6.2321 6.2321 6.3327 6.3327 6.4327 6.4327 6.6298 6.6298 6.8473 6.8473 7.2982 7.2982 9.1101 9.1101 9.8691 9.8691 13.3416 13.3416 16.0064 16.0064 16.9617 16.9617 k = 0.4846-0.4121 0.2037 ( 1759 PWs) bands (ev): -9.1079 -9.1079 -8.8236 -8.8236 2.1078 2.1078 3.4126 3.4126 3.7724 3.7724 3.9472 3.9472 4.8272 4.8272 5.1866 5.1866 5.6931 5.6931 6.1035 6.1035 6.2253 6.2253 6.3268 6.3268 6.4480 6.4480 6.6333 6.6333 6.8468 6.8468 7.2976 7.2976 9.1061 9.1061 9.8647 9.8647 13.3293 13.3293 16.0204 16.0204 16.9756 16.9756 k = 0.4769-0.4056 0.2005 ( 1758 PWs) bands (ev): -9.1116 -9.1116 -8.8238 -8.8238 2.1169 2.1169 3.4064 3.4064 3.7669 3.7669 3.9623 3.9623 4.8021 4.8021 5.1991 5.1991 5.6941 5.6941 6.1024 6.1024 6.2172 6.2172 6.3214 6.3214 6.4673 6.4673 6.6394 6.6394 6.8460 6.8460 7.2967 7.2967 9.0996 9.0996 9.8574 9.8574 13.3093 13.3093 16.0426 16.0426 16.9992 16.9992 k = 0.4692-0.3990 0.1972 ( 1756 PWs) bands (ev): -9.1167 -9.1167 -8.8242 -8.8242 2.1296 2.1296 3.3977 3.3977 3.7616 3.7616 3.9809 3.9809 4.7701 4.7701 5.2138 5.2138 5.6952 5.6952 6.0981 6.0981 6.2115 6.2115 6.3177 6.3177 6.4871 6.4871 6.6482 6.6482 6.8451 6.8451 7.2956 7.2956 9.0904 9.0904 9.8473 9.8473 13.2824 13.2824 16.0719 16.0719 17.0327 17.0327 k = 0.4615-0.3925 0.1940 ( 1754 PWs) bands (ev): -9.1232 -9.1232 -8.8247 -8.8247 2.1459 2.1459 3.3866 3.3866 3.7575 3.7575 4.0020 4.0020 4.7329 4.7329 5.2291 5.2291 5.6960 5.6960 6.0894 6.0894 6.2111 6.2111 6.3158 6.3158 6.5057 6.5057 6.6595 6.6595 6.8446 6.8446 7.2943 7.2943 9.0786 9.0786 9.8345 9.8345 13.2494 13.2494 16.1065 16.1065 17.0767 17.0767 k = 0.4538-0.3859 0.1908 ( 1753 PWs) bands (ev): -9.1312 -9.1312 -8.8252 -8.8252 2.1658 2.1658 3.3734 3.3734 3.7552 3.7552 4.0245 4.0245 4.6919 4.6919 5.2440 5.2440 5.6960 5.6960 6.0771 6.0771 6.2160 6.2160 6.3157 6.3157 6.5222 6.5222 6.6725 6.6725 6.8448 6.8448 7.2932 7.2932 9.0644 9.0644 9.8192 9.8192 13.2114 13.2114 16.1445 16.1445 17.1316 17.1316 k = 0.4462-0.3794 0.1875 ( 1751 PWs) bands (ev): -9.1405 -9.1405 -8.8259 -8.8259 2.1891 2.1891 3.3581 3.3581 3.7551 3.7551 4.0478 4.0478 4.6481 4.6481 5.2574 5.2574 5.6948 5.6948 6.0638 6.0638 6.2243 6.2243 6.3178 6.3178 6.5368 6.5368 6.6859 6.6859 6.8464 6.8464 7.2924 7.2924 9.0476 9.0476 9.8016 9.8016 13.1694 13.1694 16.1841 16.1841 17.1977 17.1977 k = 0.4385-0.3729 0.1843 ( 1749 PWs) bands (ev): -9.1512 -9.1512 -8.8267 -8.8267 2.2159 2.2159 3.3412 3.3412 3.7573 3.7573 4.0712 4.0712 4.6025 4.6025 5.2690 5.2690 5.6921 5.6921 6.0514 6.0514 6.2331 6.2331 6.3231 6.3231 6.5498 6.5498 6.6982 6.6982 6.8500 6.8500 7.2922 7.2922 9.0284 9.0284 9.7818 9.7818 13.1242 13.1242 16.2237 16.2237 17.2752 17.2752 k = 0.4308-0.3663 0.1811 ( 1751 PWs) bands (ev): -9.1632 -9.1632 -8.8276 -8.8276 2.2461 2.2461 3.3228 3.3228 3.7618 3.7618 4.0939 4.0939 4.5561 4.5561 5.2781 5.2781 5.6877 5.6877 6.0417 6.0417 6.2401 6.2401 6.3322 6.3322 6.5621 6.5621 6.7079 6.7079 6.8560 6.8560 7.2930 7.2930 9.0068 9.0068 9.7601 9.7601 13.0768 13.0768 16.2620 16.2620 17.3639 17.3639 k = 0.4231-0.3598 0.1778 ( 1752 PWs) bands (ev): -9.1765 -9.1765 -8.8285 -8.8285 2.2796 2.2796 3.3033 3.3033 3.7685 3.7685 4.1150 4.1150 4.5101 4.5101 5.2842 5.2842 5.6817 5.6817 6.0354 6.0354 6.2440 6.2440 6.3454 6.3454 6.5740 6.5740 6.7142 6.7142 6.8643 6.8643 7.2954 7.2954 8.9831 8.9831 9.7367 9.7367 13.0278 13.0278 16.2977 16.2977 17.4635 17.4635 k = 0.4154-0.3532 0.1746 ( 1753 PWs) bands (ev): -9.1910 -9.1910 -8.8296 -8.8296 2.3163 2.3163 3.2830 3.2830 3.7774 3.7774 4.1329 4.1329 4.4664 4.4664 5.2870 5.2870 5.6746 5.6746 6.0328 6.0328 6.2448 6.2448 6.3618 6.3618 6.5860 6.5860 6.7177 6.7177 6.8739 6.8739 7.2999 7.2999 8.9573 8.9573 9.7118 9.7118 12.9779 12.9779 16.3304 16.3304 17.5731 17.5731 k = 0.4077-0.3467 0.1714 ( 1753 PWs) bands (ev): -9.2066 -9.2066 -8.8308 -8.8308 2.3562 2.3562 3.2622 3.2622 3.7882 3.7882 4.1450 4.1450 4.4278 4.4278 5.2860 5.2860 5.6672 5.6672 6.0335 6.0335 6.2429 6.2429 6.3800 6.3800 6.5977 6.5977 6.7199 6.7199 6.8834 6.8834 7.3069 7.3069 8.9296 8.9296 9.6857 9.6857 12.9276 12.9276 16.3594 16.3594 17.6921 17.6921 k = 0.4000-0.3402 0.1681 ( 1754 PWs) bands (ev): -9.2234 -9.2234 -8.8320 -8.8320 2.3991 2.3991 3.2410 3.2410 3.8007 3.8007 4.1474 4.1474 4.3983 4.3983 5.2809 5.2809 5.6604 5.6604 6.0370 6.0370 6.2391 6.2391 6.3988 6.3988 6.6082 6.6082 6.7229 6.7229 6.8914 6.8914 7.3169 7.3169 8.9002 8.9002 9.6586 9.6586 12.8772 12.8772 16.3844 16.3844 17.8194 17.8194 k = 0.3923-0.3336 0.1649 ( 1756 PWs) bands (ev): -9.2413 -9.2413 -8.8333 -8.8333 2.4449 2.4449 3.2196 3.2196 3.8147 3.8147 4.1361 4.1361 4.3823 4.3823 5.2717 5.2717 5.6548 5.6548 6.0426 6.0426 6.2337 6.2337 6.4171 6.4171 6.6158 6.6158 6.7293 6.7293 6.8970 6.8970 7.3301 7.3301 8.8694 8.8694 9.6308 9.6308 12.8270 12.8270 16.4054 16.4054 17.9539 17.9539 k = 0.3846-0.3271 0.1617 ( 1758 PWs) bands (ev): -9.2602 -9.2602 -8.8347 -8.8347 2.4935 2.4935 3.1983 3.1983 3.8300 3.8300 4.1106 4.1106 4.3807 4.3807 5.2584 5.2584 5.6511 5.6511 6.0495 6.0495 6.2272 6.2272 6.4340 6.4340 6.6193 6.6193 6.7412 6.7412 6.8999 6.8999 7.3467 7.3467 8.8373 8.8373 9.6023 9.6023 12.7771 12.7771 16.4221 16.4221 18.0946 18.0946 k = 0.3769-0.3205 0.1584 ( 1755 PWs) bands (ev): -9.2800 -9.2800 -8.8362 -8.8362 2.5447 2.5447 3.1773 3.1773 3.8460 3.8460 4.0746 4.0746 4.3903 4.3903 5.2415 5.2415 5.6495 5.6495 6.0570 6.0570 6.2197 6.2197 6.4488 6.4488 6.6189 6.6189 6.7586 6.7586 6.9005 6.9005 7.3663 7.3663 8.8043 8.8043 9.5735 9.5735 12.7278 12.7278 16.4346 16.4346 18.2403 18.2403 k = 0.3692-0.3140 0.1552 ( 1753 PWs) bands (ev): -9.3007 -9.3007 -8.8377 -8.8377 2.5982 2.5982 3.1566 3.1566 3.8616 3.8616 4.0336 4.0336 4.4068 4.4068 5.2214 5.2214 5.6500 5.6500 6.0644 6.0644 6.2115 6.2115 6.4604 6.4604 6.6164 6.6164 6.7797 6.7797 6.8998 6.8998 7.3887 7.3887 8.7707 8.7707 9.5446 9.5446 12.6789 12.6789 16.4429 16.4429 18.3893 18.3893 k = 0.3615-0.3074 0.1520 ( 1755 PWs) bands (ev): -9.3223 -9.3223 -8.8393 -8.8393 2.6537 2.6537 3.1364 3.1364 3.8734 3.8734 3.9940 3.9940 4.4273 4.4273 5.1988 5.1988 5.6523 5.6523 6.0711 6.0711 6.2028 6.2028 6.4674 6.4674 6.6143 6.6143 6.8003 6.8003 6.9011 6.9011 7.4134 7.4134 8.7367 8.7367 9.5156 9.5156 12.6305 12.6305 16.4470 16.4470 18.5379 18.5379 k = 0.3538-0.3009 0.1487 ( 1754 PWs) bands (ev): -9.3446 -9.3446 -8.8410 -8.8410 2.7107 2.7107 3.1172 3.1172 3.8713 3.8713 3.9679 3.9679 4.4500 4.4500 5.1743 5.1743 5.6562 5.6562 6.0765 6.0765 6.1938 6.1938 6.4686 6.4686 6.6150 6.6150 6.8143 6.8143 6.9098 6.9098 7.4397 7.4397 8.7026 8.7026 9.4869 9.4869 12.5826 12.5826 16.4470 16.4470 18.6388 18.6388 k = 0.3462-0.2944 0.1455 ( 1753 PWs) bands (ev): -9.3676 -9.3676 -8.8427 -8.8427 2.7683 2.7683 3.0994 3.0994 3.8444 3.8444 3.9673 3.9673 4.4737 4.4737 5.1488 5.1488 5.6615 5.6615 6.0801 6.0801 6.1848 6.1848 6.4633 6.4633 6.6198 6.6198 6.8170 6.8170 6.9304 6.9304 7.4671 7.4671 8.6689 8.6689 9.4585 9.4585 12.5349 12.5349 16.4432 16.4432 18.6354 18.6354 k = 0.3385-0.2878 0.1423 ( 1751 PWs) bands (ev): -9.3913 -9.3913 -8.8444 -8.8444 2.8249 2.8249 3.0843 3.0843 3.8031 3.8031 3.9829 3.9829 4.4978 4.4978 5.1229 5.1229 5.6676 5.6676 6.0814 6.0814 6.1759 6.1759 6.4523 6.4523 6.6284 6.6284 6.8106 6.8106 6.9605 6.9605 7.4951 7.4951 8.6358 8.6358 9.4307 9.4307 12.4874 12.4874 16.4356 16.4356 18.6108 18.6108 k = 0.3308-0.2813 0.1390 ( 1749 PWs) bands (ev): -9.4155 -9.4155 -8.8463 -8.8463 2.8769 2.8769 3.0750 3.0750 3.7581 3.7581 4.0048 4.0048 4.5216 4.5216 5.0973 5.0973 5.6744 5.6744 6.0801 6.0801 6.1672 6.1672 6.4371 6.4371 6.6397 6.6397 6.7995 6.7995 6.9960 6.9960 7.5233 7.5233 8.6036 8.6036 9.4037 9.4037 12.4400 12.4400 16.4247 16.4247 18.5722 18.5722 k = 0.3231-0.2747 0.1358 ( 1748 PWs) bands (ev): -9.4402 -9.4402 -8.8481 -8.8481 2.9162 2.9162 3.0788 3.0788 3.7135 3.7135 4.0296 4.0296 4.5445 4.5445 5.0727 5.0727 5.6814 5.6814 6.0760 6.0760 6.1586 6.1586 6.4192 6.4192 6.6521 6.6521 6.7865 6.7865 7.0341 7.0341 7.5511 7.5511 8.5727 8.5727 9.3777 9.3777 12.3924 12.3924 16.4105 16.4105 18.5205 18.5205 k = 0.3154-0.2682 0.1326 ( 1746 PWs) bands (ev): -9.4654 -9.4654 -8.8500 -8.8500 2.9332 2.9332 3.1042 3.1042 3.6717 3.6717 4.0561 4.0561 4.5661 4.5661 5.0499 5.0499 5.6883 5.6883 6.0692 6.0692 6.1496 6.1496 6.4004 6.4004 6.6641 6.6641 6.7739 6.7739 7.0736 7.0736 7.5781 7.5781 8.5433 8.5433 9.3528 9.3528 12.3446 12.3446 16.3934 16.3934 18.4576 18.4576 k = 0.3077-0.2617 0.1293 ( 1746 PWs) bands (ev): -9.4909 -9.4909 -8.8519 -8.8519 2.9297 2.9297 3.1476 3.1476 3.6350 3.6350 4.0839 4.0839 4.5858 4.5858 5.0297 5.0297 5.6949 5.6949 6.0600 6.0600 6.1395 6.1395 6.3817 6.3817 6.6730 6.6730 6.7641 6.7641 7.1134 7.1134 7.6039 7.6039 8.5159 8.5159 9.3294 9.3294 12.2963 12.2963 16.3737 16.3737 18.3858 18.3858 k = 0.3000-0.2551 0.1261 ( 1746 PWs) bands (ev): -9.5168 -9.5168 -8.8539 -8.8539 2.9150 2.9150 3.1967 3.1967 3.6064 3.6064 4.1125 4.1125 4.6028 4.6028 5.0129 5.0129 5.7006 5.7006 6.0487 6.0487 6.1279 6.1279 6.3645 6.3645 6.6758 6.6758 6.7605 6.7605 7.1529 7.1529 7.6280 7.6280 8.4908 8.4908 9.3076 9.3076 12.2475 12.2475 16.3515 16.3515 18.3073 18.3073 k = 0.2923-0.2486 0.1229 ( 1746 PWs) bands (ev): -9.5428 -9.5428 -8.8559 -8.8559 2.8945 2.8945 3.2412 3.2412 3.5911 3.5911 4.1417 4.1417 4.6167 4.6167 5.0005 5.0005 5.7050 5.7050 6.0354 6.0354 6.1147 6.1147 6.3496 6.3496 6.6708 6.6708 6.7647 6.7647 7.1914 7.1914 7.6499 7.6499 8.4683 8.4683 9.2879 9.2879 12.1979 12.1979 16.3273 16.3273 18.2243 18.2243 k = 0.2846-0.2420 0.1196 ( 1744 PWs) bands (ev): -9.5691 -9.5691 -8.8578 -8.8578 2.8702 2.8702 3.2727 3.2727 3.5954 3.5954 4.1711 4.1711 4.6269 4.6269 4.9932 4.9932 5.7076 5.7076 6.0201 6.0201 6.1005 6.1005 6.3375 6.3375 6.6599 6.6599 6.7748 6.7748 7.2284 7.2284 7.6693 7.6693 8.4488 8.4488 9.2705 9.2705 12.1474 12.1474 16.3011 16.3011 18.1384 18.1384 k = 0.2769-0.2355 0.1164 ( 1738 PWs) bands (ev): -9.5954 -9.5954 -8.8598 -8.8598 2.8430 2.8430 3.2863 3.2863 3.6231 3.6231 4.2004 4.2004 4.6335 4.6335 4.9916 4.9916 5.7076 5.7076 6.0028 6.0028 6.0865 6.0865 6.3284 6.3284 6.6459 6.6459 6.7883 6.7883 7.2633 7.2633 7.6856 7.6856 8.4326 8.4326 9.2558 9.2558 12.0960 12.0960 16.2732 16.2732 18.0508 18.0508 k = 0.2692-0.2289 0.1132 ( 1738 PWs) bands (ev): -9.6218 -9.6218 -8.8618 -8.8618 2.8131 2.8131 3.2847 3.2847 3.6713 3.6713 4.2291 4.2291 4.6370 4.6370 4.9954 4.9954 5.7043 5.7043 5.9833 5.9833 6.0738 6.0738 6.3220 6.3220 6.6305 6.6305 6.8032 6.8032 7.2955 7.2955 7.6985 7.6985 8.4201 8.4201 9.2440 9.2440 12.0434 12.0434 16.2436 16.2436 17.9628 17.9628 k = 0.2615-0.2224 0.1099 ( 1738 PWs) bands (ev): -9.6481 -9.6481 -8.8638 -8.8638 2.7807 2.7807 3.2742 3.2742 3.7329 3.7329 4.2566 4.2566 4.6385 4.6385 5.0043 5.0043 5.6968 5.6968 5.9626 5.9626 6.0636 6.0636 6.3179 6.3179 6.6147 6.6147 6.8187 6.8187 7.3244 7.3244 7.7077 7.7077 8.4114 8.4114 9.2356 9.2356 11.9897 11.9897 16.2124 16.2124 17.8751 17.8751 k = 0.2538-0.2159 0.1067 ( 1738 PWs) bands (ev): -9.6744 -9.6744 -8.8658 -8.8658 2.7461 2.7461 3.2600 3.2600 3.8023 3.8023 4.2823 4.2823 4.6399 4.6399 5.0173 5.0173 5.6843 5.6843 5.9419 5.9419 6.0564 6.0564 6.3156 6.3156 6.5988 6.5988 6.8343 6.8343 7.3495 7.3495 7.7129 7.7129 8.4066 8.4066 9.2309 9.2309 11.9348 11.9348 16.1797 16.1797 17.7886 17.7886 k = 0.2462-0.2093 0.1035 ( 1739 PWs) bands (ev): -9.7005 -9.7005 -8.8678 -8.8678 2.7095 2.7095 3.2452 3.2452 3.8757 3.8757 4.3057 4.3057 4.6429 4.6429 5.0336 5.0336 5.6663 5.6663 5.9223 5.9223 6.0520 6.0520 6.3149 6.3149 6.5833 6.5833 6.8498 6.8498 7.3704 7.3704 7.7142 7.7142 8.4057 8.4057 9.2301 9.2301 11.8786 11.8786 16.1455 16.1455 17.7037 17.7037 k = 0.2385-0.2028 0.1002 ( 1736 PWs) bands (ev): -9.7265 -9.7265 -8.8698 -8.8698 2.6711 2.6711 3.2312 3.2312 3.9500 3.9500 4.3266 4.3266 4.6496 4.6496 5.0520 5.0520 5.6431 5.6431 5.9050 5.9050 6.0504 6.0504 6.3154 6.3154 6.5682 6.5682 6.8651 6.8651 7.3866 7.3866 7.7115 7.7115 8.4084 8.4084 9.2338 9.2338 11.8212 11.8212 16.1096 16.1096 17.6213 17.6213 k = 0.2308-0.1962 0.0970 ( 1739 PWs) bands (ev): -9.7522 -9.7522 -8.8717 -8.8717 2.6313 2.6313 3.2187 3.2187 4.0223 4.0223 4.3460 4.3460 4.6614 4.6614 5.0718 5.0718 5.6152 5.6152 5.8901 5.8901 6.0512 6.0512 6.3168 6.3168 6.5537 6.5537 6.8799 6.8799 7.3978 7.3978 7.7051 7.7051 8.4144 8.4144 9.2418 9.2418 11.7625 11.7625 16.0721 16.0721 17.5416 17.5416 k = 0.2231-0.1897 0.0938 ( 1738 PWs) bands (ev): -9.7776 -9.7776 -8.8736 -8.8736 2.5905 2.5905 3.2080 3.2080 4.0884 4.0884 4.3671 4.3671 4.6791 4.6791 5.0921 5.0921 5.5839 5.5839 5.8777 5.8777 6.0542 6.0542 6.3191 6.3191 6.5400 6.5400 6.8944 6.8944 7.4039 7.4039 7.6952 7.6952 8.4232 8.4232 9.2545 9.2545 11.7026 11.7026 16.0327 16.0327 17.4654 17.4654 k = 0.2154-0.1832 0.0905 ( 1743 PWs) bands (ev): -9.8026 -9.8026 -8.8755 -8.8755 2.5488 2.5488 3.1990 3.1990 4.1422 4.1422 4.3958 4.3958 4.7025 4.7025 5.1121 5.1121 5.5504 5.5504 5.8677 5.8677 6.0588 6.0588 6.3221 6.3221 6.5269 6.5269 6.9083 6.9083 7.4048 7.4048 7.6822 7.6822 8.4343 8.4343 9.2718 9.2718 11.6415 11.6415 15.9913 15.9913 17.3928 17.3928 k = 0.2077-0.1766 0.0873 ( 1741 PWs) bands (ev): -9.8272 -9.8272 -8.8774 -8.8774 2.5068 2.5068 3.1918 3.1918 4.1776 4.1776 4.4386 4.4386 4.7313 4.7313 5.1310 5.1310 5.5164 5.5164 5.8598 5.8598 6.0649 6.0649 6.3257 6.3257 6.5147 6.5147 6.9218 6.9218 7.4005 7.4005 7.6664 7.6664 8.4472 8.4472 9.2936 9.2936 11.5794 11.5794 15.9479 15.9479 17.3245 17.3245 k = 0.2000-0.1701 0.0841 ( 1741 PWs) bands (ev): -9.8513 -9.8513 -8.8792 -8.8792 2.4646 2.4646 3.1863 3.1863 4.1942 4.1942 4.4963 4.4963 4.7645 4.7645 5.1478 5.1478 5.4832 5.4832 5.8541 5.8541 6.0719 6.0719 6.3298 6.3298 6.5034 6.5034 6.9348 6.9348 7.3913 7.3913 7.6480 7.6480 8.4614 8.4614 9.3198 9.3198 11.5164 11.5164 15.9023 15.9023 17.2606 17.2606 k = 0.1923-0.1635 0.0808 ( 1745 PWs) bands (ev): -9.8749 -9.8749 -8.8810 -8.8810 2.4226 2.4226 3.1821 3.1821 4.1969 4.1969 4.5641 4.5641 4.8016 4.8016 5.1612 5.1612 5.4529 5.4529 5.8505 5.8505 6.0797 6.0797 6.3344 6.3344 6.4931 6.4931 6.9471 6.9471 7.3776 7.3776 7.6272 7.6272 8.4763 8.4763 9.3500 9.3500 11.4525 11.4525 15.8544 15.8544 17.2014 17.2014 k = 0.1846-0.1570 0.0776 ( 1740 PWs) bands (ev): -9.8980 -9.8980 -8.8827 -8.8827 2.3810 2.3810 3.1794 3.1794 4.1912 4.1912 4.6365 4.6365 4.8422 4.8422 5.1699 5.1699 5.4276 5.4276 5.8493 5.8493 6.0878 6.0878 6.3394 6.3394 6.4839 6.4839 6.9589 6.9589 7.3597 7.3597 7.6042 7.6042 8.4917 8.4917 9.3840 9.3840 11.3879 11.3879 15.8044 15.8044 17.1470 17.1470 k = 0.1769-0.1505 0.0744 ( 1744 PWs) bands (ev): -9.9205 -9.9205 -8.8844 -8.8844 2.3399 2.3399 3.1777 3.1777 4.1805 4.1805 4.7091 4.7091 4.8864 4.8864 5.1722 5.1722 5.4093 5.4093 5.8503 5.8503 6.0962 6.0962 6.3446 6.3446 6.4758 6.4758 6.9700 6.9700 7.3382 7.3382 7.5790 7.5790 8.5072 8.5072 9.4211 9.4211 11.3229 11.3229 15.7522 15.7522 17.0975 17.0975 k = 0.1692-0.1439 0.0711 ( 1745 PWs) bands (ev): -9.9423 -9.9423 -8.8861 -8.8861 2.2996 2.2996 3.1771 3.1771 4.1669 4.1669 4.7778 4.7778 4.9348 4.9348 5.1679 5.1679 5.4000 5.4000 5.8538 5.8538 6.1047 6.1047 6.3501 6.3501 6.4688 6.4688 6.9803 6.9803 7.3137 7.3137 7.5518 7.5518 8.5224 8.5224 9.4613 9.4613 11.2576 11.2576 15.6980 15.6980 17.0528 17.0528 k = 0.1615-0.1374 0.0679 ( 1745 PWs) bands (ev): -9.9634 -9.9634 -8.8877 -8.8877 2.2602 2.2602 3.1774 3.1774 4.1515 4.1515 4.8389 4.8389 4.9875 4.9875 5.1591 5.1591 5.3996 5.3996 5.8599 5.8599 6.1130 6.1130 6.3558 6.3558 6.4632 6.4632 6.9897 6.9897 7.2865 7.2865 7.5228 7.5228 8.5372 8.5372 9.5037 9.5037 11.1922 11.1922 15.6422 15.6422 17.0128 17.0128 k = 0.1538-0.1308 0.0647 ( 1749 PWs) bands (ev): -9.9838 -9.9838 -8.8892 -8.8892 2.2220 2.2220 3.1784 3.1784 4.1352 4.1352 4.8887 4.8887 5.0418 5.0418 5.1522 5.1522 5.4070 5.4070 5.8685 5.8685 6.1212 6.1212 6.3615 6.3615 6.4590 6.4590 6.9980 6.9980 7.2573 7.2573 7.4921 7.4921 8.5512 8.5512 9.5481 9.5481 11.1270 11.1270 15.5849 15.5849 16.9774 16.9774 k = 0.1462-0.1243 0.0614 ( 1745 PWs) bands (ev): -10.0035 -10.0035 -8.8906 -8.8906 2.1849 2.1849 3.1802 3.1802 4.1185 4.1185 4.9242 4.9242 5.0847 5.0847 5.1639 5.1639 5.4214 5.4214 5.8798 5.8798 6.1293 6.1293 6.3673 6.3673 6.4564 6.4564 7.0048 7.0048 7.2270 7.2270 7.4598 7.4598 8.5643 8.5643 9.5940 9.5940 11.0623 11.0623 15.5265 15.5265 16.9462 16.9462 k = 0.1385-0.1177 0.0582 ( 1746 PWs) bands (ev): -10.0223 -10.0223 -8.8920 -8.8920 2.1491 2.1491 3.1824 3.1824 4.1017 4.1017 4.9423 4.9423 5.1043 5.1043 5.2086 5.2086 5.4423 5.4423 5.8933 5.8933 6.1372 6.1372 6.3728 6.3728 6.4552 6.4552 7.0095 7.0095 7.1964 7.1964 7.4261 7.4261 8.5763 8.5763 9.6407 9.6407 10.9983 10.9983 15.4675 15.4675 16.9190 16.9190 k = 0.1308-0.1112 0.0550 ( 1745 PWs) bands (ev): -10.0403 -10.0403 -8.8934 -8.8934 2.1148 2.1148 3.1851 3.1851 4.0850 4.0850 4.9427 4.9427 5.1202 5.1202 5.2660 5.2660 5.4706 5.4706 5.9092 5.9092 6.1449 6.1449 6.3783 6.3783 6.4555 6.4555 7.0108 7.0108 7.1671 7.1671 7.3913 7.3913 8.5871 8.5871 9.6880 9.6880 10.9353 10.9353 15.4083 15.4083 16.8954 16.8954 k = 0.1231-0.1047 0.0517 ( 1745 PWs) bands (ev): -10.0575 -10.0575 -8.8947 -8.8947 2.0821 2.0821 3.1881 3.1881 4.0688 4.0688 4.9304 4.9304 5.1397 5.1397 5.3226 5.3226 5.5071 5.5071 5.9271 5.9271 6.1525 6.1525 6.3836 6.3836 6.4573 6.4573 7.0065 7.0065 7.1415 7.1415 7.3554 7.3554 8.5965 8.5965 9.7354 9.7354 10.8736 10.8736 15.3494 15.3494 16.8750 16.8750 k = 0.1154-0.0981 0.0485 ( 1746 PWs) bands (ev): -10.0737 -10.0737 -8.8959 -8.8959 2.0509 2.0509 3.1913 3.1913 4.0530 4.0530 4.9112 4.9112 5.1600 5.1600 5.3747 5.3747 5.5520 5.5520 5.9467 5.9467 6.1603 6.1603 6.3889 6.3889 6.4603 6.4603 6.9941 6.9941 7.1224 7.1224 7.3188 7.3188 8.6045 8.6045 9.7824 9.7824 10.8136 10.8136 15.2911 15.2911 16.8576 16.8576 k = 0.1077-0.0916 0.0453 ( 1747 PWs) bands (ev): -10.0891 -10.0891 -8.8970 -8.8970 2.0214 2.0214 3.1948 3.1948 4.0379 4.0379 4.8891 4.8891 5.1784 5.1784 5.4226 5.4226 5.6033 5.6033 5.9676 5.9676 6.1683 6.1683 6.3943 6.3943 6.4645 6.4645 6.9725 6.9725 7.1112 7.1112 7.2816 7.2816 8.6110 8.6110 9.8286 9.8286 10.7555 10.7555 15.2340 15.2340 16.8429 16.8429 k = 0.1000-0.0850 0.0420 ( 1746 PWs) bands (ev): -10.1035 -10.1035 -8.8981 -8.8981 1.9937 1.9937 3.1983 3.1983 4.0236 4.0236 4.8661 4.8661 5.1938 5.1938 5.4679 5.4679 5.6578 5.6578 5.9897 5.9897 6.1767 6.1767 6.4000 6.4000 6.4695 6.4695 6.9435 6.9435 7.1062 7.1062 7.2443 7.2443 8.6160 8.6160 9.8737 9.8737 10.6997 10.6997 15.1786 15.1786 16.8305 16.8305 k = 0.0923-0.0785 0.0388 ( 1744 PWs) bands (ev): -10.1169 -10.1169 -8.8990 -8.8990 1.9678 1.9678 3.2018 3.2018 4.0100 4.0100 4.8434 4.8434 5.2061 5.2061 5.5123 5.5123 5.7126 5.7126 6.0124 6.0124 6.1858 6.1858 6.4059 6.4059 6.4753 6.4753 6.9101 6.9101 7.1046 7.1046 7.2073 7.2073 8.6194 8.6194 9.9173 9.9173 10.6465 10.6465 15.1251 15.1251 16.8200 16.8200 k = 0.0846-0.0720 0.0356 ( 1745 PWs) bands (ev): -10.1293 -10.1293 -8.9000 -8.9000 1.9437 1.9437 3.2054 3.2054 3.9973 3.9973 4.8215 4.8215 5.2155 5.2155 5.5565 5.5565 5.7654 5.7654 6.0354 6.0354 6.1955 6.1955 6.4118 6.4118 6.4818 6.4818 6.8746 6.8746 7.1034 7.1034 7.1718 7.1718 8.6213 8.6213 9.9590 9.9590 10.5963 10.5963 15.0741 15.0741 16.8114 16.8114 k = 0.0769-0.0654 0.0323 ( 1742 PWs) bands (ev): -10.1408 -10.1408 -8.9008 -8.9008 1.9216 1.9216 3.2088 3.2088 3.9856 3.9856 4.8010 4.8010 5.2225 5.2225 5.6006 5.6006 5.8147 5.8147 6.0585 6.0585 6.2060 6.2060 6.4171 6.4171 6.4894 6.4894 6.8388 6.8388 7.0974 7.0974 7.1423 7.1423 8.6218 8.6218 9.9984 9.9984 10.5493 10.5493 15.0260 15.0260 16.8043 16.8043 k = 0.0692-0.0589 0.0291 ( 1742 PWs) bands (ev): -10.1511 -10.1511 -8.9016 -8.9016 1.9015 1.9015 3.2120 3.2120 3.9748 3.9748 4.7820 4.7820 5.2275 5.2275 5.6443 5.6443 5.8597 5.8597 6.0812 6.0812 6.2172 6.2172 6.4208 6.4208 6.4985 6.4985 6.8039 6.8039 7.0765 7.0765 7.1285 7.1285 8.6211 8.6211 10.0352 10.0352 10.5060 10.5060 14.9812 14.9812 16.7984 16.7984 k = 0.0615-0.0523 0.0259 ( 1742 PWs) bands (ev): -10.1605 -10.1605 -8.9022 -8.9022 1.8834 1.8834 3.2151 3.2151 3.9651 3.9651 4.7646 4.7646 5.2311 5.2311 5.6868 5.6868 5.9001 5.9001 6.1030 6.1030 6.2288 6.2288 6.4214 6.4214 6.5098 6.5098 6.7714 6.7714 7.0447 7.0447 7.1261 7.1261 8.6192 8.6192 10.0691 10.0691 10.4665 10.4665 14.9399 14.9399 16.7937 16.7937 k = 0.0538-0.0458 0.0226 ( 1743 PWs) bands (ev): -10.1688 -10.1688 -8.9028 -8.9028 1.8673 1.8673 3.2179 3.2179 3.9564 3.9564 4.7492 4.7492 5.2336 5.2336 5.7275 5.7275 5.9365 5.9365 6.1234 6.1234 6.2405 6.2405 6.4177 6.4177 6.5234 6.5234 6.7425 6.7425 7.0107 7.0107 7.1270 7.1270 8.6166 8.6166 10.0997 10.0997 10.4312 10.4312 14.9027 14.9027 16.7899 16.7899 k = 0.0462-0.0392 0.0194 ( 1745 PWs) bands (ev): -10.1760 -10.1760 -8.9034 -8.9034 1.8533 1.8533 3.2203 3.2203 3.9488 3.9488 4.7356 4.7356 5.2352 5.2352 5.7652 5.7652 5.9699 5.9699 6.1419 6.1419 6.2516 6.2516 6.4088 6.4088 6.5391 6.5391 6.7183 6.7183 6.9771 6.9771 7.1285 7.1285 8.6133 8.6133 10.1268 10.1268 10.4002 10.4002 14.8697 14.8697 16.7870 16.7870 k = 0.0385-0.0327 0.0162 ( 1746 PWs) bands (ev): -10.1821 -10.1821 -8.9038 -8.9038 1.8414 1.8414 3.2225 3.2225 3.9424 3.9424 4.7241 4.7241 5.2363 5.2363 5.7987 5.7987 6.0017 6.0017 6.1579 6.1579 6.2609 6.2609 6.3951 6.3951 6.5560 6.5560 6.6998 6.6998 6.9450 6.9450 7.1302 7.1302 8.6098 8.6098 10.1502 10.1502 10.3738 10.3738 14.8412 14.8412 16.7846 16.7846 k = 0.0308-0.0262 0.0129 ( 1746 PWs) bands (ev): -10.1871 -10.1871 -8.9042 -8.9042 1.8317 1.8317 3.2243 3.2243 3.9371 3.9371 4.7146 4.7146 5.2370 5.2370 5.8267 5.8267 6.0331 6.0331 6.1713 6.1713 6.2665 6.2665 6.3782 6.3782 6.5729 6.5729 6.6872 6.6872 6.9153 6.9153 7.1317 7.1317 8.6063 8.6063 10.1694 10.1694 10.3521 10.3521 14.8176 14.8176 16.7829 16.7829 k = 0.0231-0.0196 0.0097 ( 1746 PWs) bands (ev): -10.1910 -10.1910 -8.9045 -8.9045 1.8241 1.8241 3.2257 3.2257 3.9330 3.9330 4.7071 4.7071 5.2374 5.2374 5.8486 5.8486 6.0647 6.0647 6.1821 6.1821 6.2653 6.2653 6.3621 6.3621 6.5881 6.5881 6.6799 6.6799 6.8893 6.8893 7.1329 7.1329 8.6033 8.6033 10.1845 10.1845 10.3352 10.3352 14.7990 14.7990 16.7816 16.7816 k = 0.0154-0.0131 0.0065 ( 1746 PWs) bands (ev): -10.1938 -10.1938 -8.9047 -8.9047 1.8186 1.8186 3.2268 3.2268 3.9300 3.9300 4.7018 4.7018 5.2376 5.2376 5.8639 5.8639 6.0953 6.0953 6.1910 6.1910 6.2542 6.2542 6.3512 6.3512 6.6002 6.6002 6.6770 6.6770 6.8683 6.8683 7.1337 7.1337 8.6009 8.6009 10.1953 10.1953 10.3233 10.3233 14.7856 14.7856 16.7807 16.7807 k = 0.0077-0.0065 0.0032 ( 1753 PWs) bands (ev): -10.1955 -10.1955 -8.9048 -8.9048 1.8154 1.8154 3.2273 3.2273 3.9282 3.9282 4.6985 4.6985 5.2377 5.2377 5.8729 5.8729 6.1205 6.1205 6.1999 6.1999 6.2350 6.2350 6.3464 6.3464 6.6078 6.6078 6.6766 6.6766 6.8543 6.8543 7.1342 7.1342 8.5993 8.5993 10.2016 10.2016 10.3161 10.3161 14.7775 14.7775 16.7802 16.7802 k = 0.0000 0.0000 0.0000 ( 1757 PWs) bands (ev): -10.1960 -10.1960 -8.9048 -8.9048 1.8143 1.8143 3.2275 3.2275 3.9275 3.9275 4.6974 4.6974 5.2377 5.2377 5.8758 5.8758 6.1313 6.1313 6.2103 6.2103 6.2184 6.2184 6.3451 6.3451 6.6103 6.6103 6.6768 6.6768 6.8494 6.8494 7.1344 7.1344 8.5988 8.5988 10.2037 10.2037 10.3138 10.3138 14.7748 14.7748 16.7800 16.7800 Writing output data file CuAgO2.save init_run : 0.21s CPU 0.35s WALL ( 1 calls) electrons : 98.88s CPU 101.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 98.87s CPU 101.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 497 calls) cegterg : 90.18s CPU 91.88s WALL ( 595 calls) Called by sum_band: Called by *egterg: h_psi : 45.31s CPU 46.41s WALL ( 9824 calls) s_psi : 3.81s CPU 3.98s WALL ( 9824 calls) g_psi : 0.07s CPU 0.10s WALL ( 8732 calls) cdiaghg : 40.61s CPU 40.95s WALL ( 9229 calls) cegterg:over : 2.83s CPU 3.01s WALL ( 8732 calls) cegterg:upda : 1.91s CPU 1.90s WALL ( 8732 calls) cegterg:last : 1.22s CPU 1.33s WALL ( 1570 calls) cdiaghg:chol : 2.13s CPU 2.10s WALL ( 9229 calls) cdiaghg:inve : 0.99s CPU 1.06s WALL ( 9229 calls) cdiaghg:para : 2.45s CPU 2.48s WALL ( 18458 calls) Called by h_psi: h_psi:vloc : 39.58s CPU 40.57s WALL ( 9824 calls) h_psi:vnl : 5.67s CPU 5.75s WALL ( 9824 calls) add_vuspsi : 2.92s CPU 3.02s WALL ( 9824 calls) General routines calbec : 2.73s CPU 2.71s WALL ( 9824 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 37.28s CPU 38.13s WALL ( 808776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.16s WALL ( 994 calls) Parallel routines fft_scatter : 15.96s CPU 16.54s WALL ( 808799 calls) PWSCF : 1m53.32s CPU 2m12.11s WALL This run was terminated on: 18:22:25 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=