Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:50:59 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: ./CdGeO3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 132 39 11 5722 906 138 Max 133 40 12 5728 924 141 Sum 4785 1407 405 206157 32873 5013 bravais-lattice index = 14 lattice parameter (alat) = 10.9277 a.u. unit-cell volume = 756.2403 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.927743 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.611275 celldm(5)= 0.611275 celldm(6)= 0.611275 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.611275 0.791418 0.000000 ) a(3) = ( 0.611275 0.300243 0.732255 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.772379 -0.518089 ) b(2) = ( 0.000000 1.263554 -0.518089 ) b(3) = ( 0.000000 0.000000 1.365645 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 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. # 3 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) Cd 12.00 112.41100 Cd( 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= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0131579 -0.0101629 -0.0068170), wk = 0.0037313 k( 3) = ( 0.0263158 -0.0203258 -0.0136339), wk = 0.0037313 k( 4) = ( 0.0394737 -0.0304886 -0.0204509), wk = 0.0037313 k( 5) = ( 0.0526316 -0.0406515 -0.0272679), wk = 0.0037313 k( 6) = ( 0.0657895 -0.0508144 -0.0340848), wk = 0.0037313 k( 7) = ( 0.0789474 -0.0609773 -0.0409018), wk = 0.0037313 k( 8) = ( 0.0921053 -0.0711401 -0.0477187), wk = 0.0037313 k( 9) = ( 0.1052632 -0.0813030 -0.0545357), wk = 0.0037313 k( 10) = ( 0.1184210 -0.0914659 -0.0613527), wk = 0.0037313 k( 11) = ( 0.1315790 -0.1016288 -0.0681696), wk = 0.0037313 k( 12) = ( 0.1447368 -0.1117917 -0.0749866), wk = 0.0037313 k( 13) = ( 0.1578947 -0.1219545 -0.0818036), wk = 0.0037313 k( 14) = ( 0.1710526 -0.1321174 -0.0886205), wk = 0.0037313 k( 15) = ( 0.1842105 -0.1422803 -0.0954375), wk = 0.0037313 k( 16) = ( 0.1973684 -0.1524432 -0.1022545), wk = 0.0037313 k( 17) = ( 0.2105263 -0.1626061 -0.1090714), wk = 0.0037313 k( 18) = ( 0.2236842 -0.1727689 -0.1158884), wk = 0.0037313 k( 19) = ( 0.2368421 -0.1829318 -0.1227054), wk = 0.0037313 k( 20) = ( 0.2500000 -0.1930947 -0.1295223), wk = 0.0037313 k( 21) = ( 0.2631579 -0.2032576 -0.1363393), wk = 0.0037313 k( 22) = ( 0.2763158 -0.2134204 -0.1431562), wk = 0.0037313 k( 23) = ( 0.2894737 -0.2235833 -0.1499732), wk = 0.0037313 k( 24) = ( 0.3026316 -0.2337462 -0.1567902), wk = 0.0037313 k( 25) = ( 0.3157895 -0.2439091 -0.1636071), wk = 0.0037313 k( 26) = ( 0.3289474 -0.2540720 -0.1704241), wk = 0.0037313 k( 27) = ( 0.3421053 -0.2642348 -0.1772411), wk = 0.0037313 k( 28) = ( 0.3552632 -0.2743977 -0.1840580), wk = 0.0037313 k( 29) = ( 0.3684211 -0.2845606 -0.1908750), wk = 0.0037313 k( 30) = ( 0.3815789 -0.2947235 -0.1976920), wk = 0.0037313 k( 31) = ( 0.3947368 -0.3048864 -0.2045089), wk = 0.0037313 k( 32) = ( 0.4078947 -0.3150492 -0.2113259), wk = 0.0037313 k( 33) = ( 0.4210526 -0.3252121 -0.2181428), wk = 0.0037313 k( 34) = ( 0.4342105 -0.3353750 -0.2249598), wk = 0.0037313 k( 35) = ( 0.4473684 -0.3455379 -0.2317768), wk = 0.0037313 k( 36) = ( 0.4605263 -0.3557007 -0.2385937), wk = 0.0037313 k( 37) = ( 0.4736842 -0.3658636 -0.2454107), wk = 0.0037313 k( 38) = ( 0.4868421 -0.3760265 -0.2522277), wk = 0.0037313 k( 39) = ( 0.5000000 -0.3861894 -0.2590446), wk = 0.0037313 k( 40) = ( 0.5000000 -0.3861894 -0.2590446), wk = 0.0037313 k( 41) = ( 0.5000000 -0.3760373 -0.2741796), wk = 0.0037313 k( 42) = ( 0.5000000 -0.3658853 -0.2893145), wk = 0.0037313 k( 43) = ( 0.5000000 -0.3557332 -0.3044494), wk = 0.0037313 k( 44) = ( 0.5000000 -0.3455811 -0.3195843), wk = 0.0037313 k( 45) = ( 0.5000000 -0.3354291 -0.3347192), wk = 0.0037313 k( 46) = ( 0.5000000 -0.3252770 -0.3498541), wk = 0.0037313 k( 47) = ( 0.5000000 -0.3151249 -0.3649891), wk = 0.0037313 k( 48) = ( 0.5000000 -0.3049729 -0.3801240), wk = 0.0037313 k( 49) = ( 0.5000000 -0.2948208 -0.3952589), wk = 0.0037313 k( 50) = ( 0.5000000 -0.2846687 -0.4103938), wk = 0.0037313 k( 51) = ( 0.5000000 -0.2745167 -0.4255287), wk = 0.0037313 k( 52) = ( 0.5000000 -0.2643646 -0.4406637), wk = 0.0037313 k( 53) = ( 0.5000000 -0.2542125 -0.4557986), wk = 0.0037313 k( 54) = ( 0.5000000 -0.2440605 -0.4709335), wk = 0.0037313 k( 55) = ( 0.5000000 -0.2339084 -0.4860684), wk = 0.0037313 k( 56) = ( 0.5000000 -0.2237564 -0.5012033), wk = 0.0037313 k( 57) = ( 0.5000000 -0.2136043 -0.5163382), wk = 0.0037313 k( 58) = ( 0.5000000 -0.2034522 -0.5314732), wk = 0.0037313 k( 59) = ( 0.5000000 -0.1933002 -0.5466081), wk = 0.0037313 k( 60) = ( 0.5000000 -0.1831481 -0.5617430), wk = 0.0037313 k( 61) = ( 0.5000000 -0.1729960 -0.5768779), wk = 0.0037313 k( 62) = ( 0.5000000 -0.1628440 -0.5920128), wk = 0.0037313 k( 63) = ( 0.5000000 -0.1526919 -0.6071478), wk = 0.0037313 k( 64) = ( 0.5000000 -0.1425398 -0.6222827), wk = 0.0037313 k( 65) = ( 0.5000000 -0.1323878 -0.6374176), wk = 0.0037313 k( 66) = ( 0.5000000 -0.1222357 -0.6525525), wk = 0.0037313 k( 67) = ( 0.5000000 -0.1120836 -0.6676874), wk = 0.0037313 k( 68) = ( 0.5000000 -0.1019316 -0.6828223), wk = 0.0037313 k( 69) = ( 0.7750331 0.0331579 -0.3533562), wk = 0.0037313 k( 70) = ( 0.7669439 0.0394058 -0.3381183), wk = 0.0037313 k( 71) = ( 0.7588547 0.0456538 -0.3228803), wk = 0.0037313 k( 72) = ( 0.7507655 0.0519017 -0.3076424), wk = 0.0037313 k( 73) = ( 0.7426763 0.0581496 -0.2924045), wk = 0.0037313 k( 74) = ( 0.7345871 0.0643976 -0.2771666), wk = 0.0037313 k( 75) = ( 0.7264979 0.0706455 -0.2619287), wk = 0.0037313 k( 76) = ( 0.7184087 0.0768934 -0.2466907), wk = 0.0037313 k( 77) = ( 0.7103195 0.0831414 -0.2314528), wk = 0.0037313 k( 78) = ( 0.7022302 0.0893893 -0.2162149), wk = 0.0037313 k( 79) = ( 0.6941410 0.0956373 -0.2009770), wk = 0.0037313 k( 80) = ( 0.6860518 0.1018852 -0.1857391), wk = 0.0037313 k( 81) = ( 0.6779626 0.1081331 -0.1705011), wk = 0.0037313 k( 82) = ( 0.6698734 0.1143811 -0.1552632), wk = 0.0037313 k( 83) = ( 0.6617842 0.1206290 -0.1400253), wk = 0.0037313 k( 84) = ( 0.6536950 0.1268769 -0.1247874), wk = 0.0037313 k( 85) = ( 0.6456058 0.1331249 -0.1095495), wk = 0.0037313 k( 86) = ( 0.6375166 0.1393728 -0.0943116), wk = 0.0037313 k( 87) = ( 0.6294274 0.1456207 -0.0790736), wk = 0.0037313 k( 88) = ( 0.6213382 0.1518687 -0.0638357), wk = 0.0037313 k( 89) = ( 0.6132489 0.1581166 -0.0485978), wk = 0.0037313 k( 90) = ( 0.6051597 0.1643645 -0.0333599), wk = 0.0037313 k( 91) = ( 0.5970705 0.1706125 -0.0181220), wk = 0.0037313 k( 92) = ( 0.5889813 0.1768604 -0.0028840), wk = 0.0037313 k( 93) = ( 0.5808921 0.1831083 0.0123539), wk = 0.0037313 k( 94) = ( 0.5728029 0.1893563 0.0275918), wk = 0.0037313 k( 95) = ( 0.5647137 0.1956042 0.0428297), wk = 0.0037313 k( 96) = ( 0.5566245 0.2018521 0.0580676), wk = 0.0037313 k( 97) = ( 0.5485353 0.2081001 0.0733056), wk = 0.0037313 k( 98) = ( 0.5404461 0.2143480 0.0885435), wk = 0.0037313 k( 99) = ( 0.5323568 0.2205959 0.1037814), wk = 0.0037313 k( 100) = ( 0.5242676 0.2268439 0.1190193), wk = 0.0037313 k( 101) = ( 0.5161784 0.2330918 0.1342572), wk = 0.0037313 k( 102) = ( 0.5080892 0.2393397 0.1494952), wk = 0.0037313 k( 103) = ( 0.5000000 0.2455877 0.1647331), wk = 0.0037313 k( 104) = ( 0.5000000 0.2455877 0.1647331), wk = 0.0037313 k( 105) = ( 0.4843750 0.2379131 0.1595852), wk = 0.0037313 k( 106) = ( 0.4687500 0.2302384 0.1544373), wk = 0.0037313 k( 107) = ( 0.4531250 0.2225638 0.1492894), wk = 0.0037313 k( 108) = ( 0.4375000 0.2148892 0.1441414), wk = 0.0037313 k( 109) = ( 0.4218750 0.2072146 0.1389935), wk = 0.0037313 k( 110) = ( 0.4062500 0.1995400 0.1338456), wk = 0.0037313 k( 111) = ( 0.3906250 0.1918654 0.1286977), wk = 0.0037313 k( 112) = ( 0.3750000 0.1841907 0.1235498), wk = 0.0037313 k( 113) = ( 0.3593750 0.1765161 0.1184019), wk = 0.0037313 k( 114) = ( 0.3437500 0.1688415 0.1132540), wk = 0.0037313 k( 115) = ( 0.3281250 0.1611669 0.1081061), wk = 0.0037313 k( 116) = ( 0.3125000 0.1534923 0.1029582), wk = 0.0037313 k( 117) = ( 0.2968750 0.1458177 0.0978103), wk = 0.0037313 k( 118) = ( 0.2812500 0.1381431 0.0926624), wk = 0.0037313 k( 119) = ( 0.2656250 0.1304684 0.0875144), wk = 0.0037313 k( 120) = ( 0.2500000 0.1227938 0.0823665), wk = 0.0037313 k( 121) = ( 0.2343750 0.1151192 0.0772186), wk = 0.0037313 k( 122) = ( 0.2187500 0.1074446 0.0720707), wk = 0.0037313 k( 123) = ( 0.2031250 0.0997700 0.0669228), wk = 0.0037313 k( 124) = ( 0.1875000 0.0920954 0.0617749), wk = 0.0037313 k( 125) = ( 0.1718750 0.0844208 0.0566270), wk = 0.0037313 k( 126) = ( 0.1562500 0.0767461 0.0514791), wk = 0.0037313 k( 127) = ( 0.1406250 0.0690715 0.0463312), wk = 0.0037313 k( 128) = ( 0.1250000 0.0613969 0.0411833), wk = 0.0037313 k( 129) = ( 0.1093750 0.0537223 0.0360354), wk = 0.0037313 k( 130) = ( 0.0937500 0.0460477 0.0308875), wk = 0.0037313 k( 131) = ( 0.0781250 0.0383731 0.0257395), wk = 0.0037313 k( 132) = ( 0.0625000 0.0306985 0.0205916), wk = 0.0037313 k( 133) = ( 0.0468750 0.0230238 0.0154437), wk = 0.0037313 k( 134) = ( 0.0312500 0.0153492 0.0102958), wk = 0.0037313 k( 135) = ( 0.0156250 0.0076746 0.0051479), wk = 0.0037313 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 138) = ( 0.0080552 -0.0062217 -0.0151738), wk = 0.0037313 k( 139) = ( 0.0161104 -0.0124433 -0.0303477), wk = 0.0037313 k( 140) = ( 0.0241656 -0.0186650 -0.0455215), wk = 0.0037313 k( 141) = ( 0.0322207 -0.0248866 -0.0606953), wk = 0.0037313 k( 142) = ( 0.0402759 -0.0311083 -0.0758692), wk = 0.0037313 k( 143) = ( 0.0483311 -0.0373299 -0.0910430), wk = 0.0037313 k( 144) = ( 0.0563863 -0.0435516 -0.1062168), wk = 0.0037313 k( 145) = ( 0.0644415 -0.0497732 -0.1213906), wk = 0.0037313 k( 146) = ( 0.0724967 -0.0559949 -0.1365645), wk = 0.0037313 k( 147) = ( 0.0805519 -0.0622166 -0.1517383), wk = 0.0037313 k( 148) = ( 0.0886071 -0.0684382 -0.1669121), wk = 0.0037313 k( 149) = ( 0.0966623 -0.0746599 -0.1820860), wk = 0.0037313 k( 150) = ( 0.1047174 -0.0808815 -0.1972598), wk = 0.0037313 k( 151) = ( 0.1127726 -0.0871032 -0.2124336), wk = 0.0037313 k( 152) = ( 0.1208278 -0.0933248 -0.2276074), wk = 0.0037313 k( 153) = ( 0.1288830 -0.0995465 -0.2427813), wk = 0.0037313 k( 154) = ( 0.1369382 -0.1057681 -0.2579551), wk = 0.0037313 k( 155) = ( 0.1449934 -0.1119898 -0.2731289), wk = 0.0037313 k( 156) = ( 0.1530486 -0.1182115 -0.2883028), wk = 0.0037313 k( 157) = ( 0.1611037 -0.1244331 -0.3034766), wk = 0.0037313 k( 158) = ( 0.1691589 -0.1306548 -0.3186504), wk = 0.0037313 k( 159) = ( 0.1772141 -0.1368764 -0.3338243), wk = 0.0037313 k( 160) = ( 0.1852693 -0.1430981 -0.3489981), wk = 0.0037313 k( 161) = ( 0.1933245 -0.1493197 -0.3641719), wk = 0.0037313 k( 162) = ( 0.2013797 -0.1555414 -0.3793457), wk = 0.0037313 k( 163) = ( 0.2094349 -0.1617630 -0.3945196), wk = 0.0037313 k( 164) = ( 0.2174901 -0.1679847 -0.4096934), wk = 0.0037313 k( 165) = ( 0.2255453 -0.1742064 -0.4248672), wk = 0.0037313 k( 166) = ( 0.2336004 -0.1804280 -0.4400411), wk = 0.0037313 k( 167) = ( 0.2416556 -0.1866497 -0.4552149), wk = 0.0037313 k( 168) = ( 0.2497108 -0.1928713 -0.4703887), wk = 0.0037313 k( 169) = ( 0.2577660 -0.1990930 -0.4855626), wk = 0.0037313 k( 170) = ( 0.2658212 -0.2053146 -0.5007364), wk = 0.0037313 k( 171) = ( 0.2738764 -0.2115363 -0.5159102), wk = 0.0037313 k( 172) = ( 0.2819316 -0.2177579 -0.5310841), wk = 0.0037313 k( 173) = ( 0.2899867 -0.2239796 -0.5462579), wk = 0.0037313 k( 174) = ( 0.2980419 -0.2302013 -0.5614317), wk = 0.0037313 k( 175) = ( 0.3060971 -0.2364229 -0.5766055), wk = 0.0037313 k( 176) = ( 0.3141523 -0.2426446 -0.5917794), wk = 0.0037313 k( 177) = ( 0.3222075 -0.2488662 -0.6069532), wk = 0.0037313 k( 178) = ( 0.3302627 -0.2550879 -0.6221270), wk = 0.0037313 k( 179) = ( 0.3383179 -0.2613095 -0.6373009), wk = 0.0037313 k( 180) = ( 0.3463731 -0.2675312 -0.6524747), wk = 0.0037313 k( 181) = ( 0.3544282 -0.2737528 -0.6676485), wk = 0.0037313 k( 182) = ( 0.3624834 -0.2799745 -0.6828223), wk = 0.0037313 k( 183) = ( 0.6375166 -0.0343868 -0.5180893), wk = 0.0037313 k( 184) = ( 0.6294274 -0.0179177 -0.5180893), wk = 0.0037313 k( 185) = ( 0.6213382 -0.0014487 -0.5180893), wk = 0.0037313 k( 186) = ( 0.6132489 0.0150204 -0.5180893), wk = 0.0037313 k( 187) = ( 0.6051597 0.0314895 -0.5180893), wk = 0.0037313 k( 188) = ( 0.5970705 0.0479586 -0.5180893), wk = 0.0037313 k( 189) = ( 0.5889813 0.0644277 -0.5180893), wk = 0.0037313 k( 190) = ( 0.5808921 0.0808968 -0.5180893), wk = 0.0037313 k( 191) = ( 0.5728029 0.0973659 -0.5180893), wk = 0.0037313 k( 192) = ( 0.5647137 0.1138350 -0.5180893), wk = 0.0037313 k( 193) = ( 0.5566245 0.1303040 -0.5180893), wk = 0.0037313 k( 194) = ( 0.5485353 0.1467731 -0.5180893), wk = 0.0037313 k( 195) = ( 0.5404461 0.1632422 -0.5180893), wk = 0.0037313 k( 196) = ( 0.5323568 0.1797113 -0.5180893), wk = 0.0037313 k( 197) = ( 0.5242676 0.1961804 -0.5180893), wk = 0.0037313 k( 198) = ( 0.5161784 0.2126495 -0.5180893), wk = 0.0037313 k( 199) = ( 0.5080892 0.2291186 -0.5180893), wk = 0.0037313 k( 200) = ( 0.5000000 0.2455877 -0.5180893), wk = 0.0037313 k( 201) = ( 0.5000000 0.2455877 -0.5180893), wk = 0.0037313 k( 202) = ( 0.5105782 0.2507834 -0.5054175), wk = 0.0037313 k( 203) = ( 0.5211564 0.2559792 -0.4927457), wk = 0.0037313 k( 204) = ( 0.5317346 0.2611749 -0.4800739), wk = 0.0037313 k( 205) = ( 0.5423128 0.2663707 -0.4674022), wk = 0.0037313 k( 206) = ( 0.5528910 0.2715664 -0.4547304), wk = 0.0037313 k( 207) = ( 0.5634692 0.2767622 -0.4420586), wk = 0.0037313 k( 208) = ( 0.5740474 0.2819579 -0.4293868), wk = 0.0037313 k( 209) = ( 0.5846256 0.2871537 -0.4167151), wk = 0.0037313 k( 210) = ( 0.5952038 0.2923494 -0.4040433), wk = 0.0037313 k( 211) = ( 0.6057820 0.2975452 -0.3913715), wk = 0.0037313 k( 212) = ( 0.6163602 0.3027409 -0.3786997), wk = 0.0037313 k( 213) = ( 0.6269384 0.3079367 -0.3660280), wk = 0.0037313 k( 214) = ( 0.6375166 0.3131324 -0.3533562), wk = 0.0037313 k( 215) = ( 0.6375166 0.3131324 -0.3533562), wk = 0.0037313 k( 216) = ( 0.6329327 0.3108809 -0.3360865), wk = 0.0037313 k( 217) = ( 0.6283488 0.3086294 -0.3188169), wk = 0.0037313 k( 218) = ( 0.6237649 0.3063779 -0.3015473), wk = 0.0037313 k( 219) = ( 0.6191810 0.3041264 -0.2842776), wk = 0.0037313 k( 220) = ( 0.6145971 0.3018750 -0.2670080), wk = 0.0037313 k( 221) = ( 0.6100133 0.2996235 -0.2497383), wk = 0.0037313 k( 222) = ( 0.6054294 0.2973720 -0.2324687), wk = 0.0037313 k( 223) = ( 0.6008455 0.2951205 -0.2151990), wk = 0.0037313 k( 224) = ( 0.5962616 0.2928690 -0.1979294), wk = 0.0037313 k( 225) = ( 0.5916777 0.2906175 -0.1806598), wk = 0.0037313 k( 226) = ( 0.5870938 0.2883660 -0.1633901), wk = 0.0037313 k( 227) = ( 0.5825099 0.2861145 -0.1461205), wk = 0.0037313 k( 228) = ( 0.5779261 0.2838630 -0.1288508), wk = 0.0037313 k( 229) = ( 0.5733422 0.2816115 -0.1115812), wk = 0.0037313 k( 230) = ( 0.5687583 0.2793600 -0.0943115), wk = 0.0037313 k( 231) = ( 0.5641744 0.2771085 -0.0770419), wk = 0.0037313 k( 232) = ( 0.5595905 0.2748571 -0.0597723), wk = 0.0037313 k( 233) = ( 0.5550066 0.2726056 -0.0425026), wk = 0.0037313 k( 234) = ( 0.5504227 0.2703541 -0.0252330), wk = 0.0037313 k( 235) = ( 0.5458389 0.2681026 -0.0079633), wk = 0.0037313 k( 236) = ( 0.5412550 0.2658511 0.0093063), wk = 0.0037313 k( 237) = ( 0.5366711 0.2635996 0.0265759), wk = 0.0037313 k( 238) = ( 0.5320872 0.2613481 0.0438456), wk = 0.0037313 k( 239) = ( 0.5275033 0.2590966 0.0611152), wk = 0.0037313 k( 240) = ( 0.5229194 0.2568451 0.0783849), wk = 0.0037313 k( 241) = ( 0.5183355 0.2545936 0.0956545), wk = 0.0037313 k( 242) = ( 0.5137517 0.2523421 0.1129242), wk = 0.0037313 k( 243) = ( 0.5091678 0.2500906 0.1301938), wk = 0.0037313 k( 244) = ( 0.5045839 0.2478392 0.1474634), wk = 0.0037313 k( 245) = ( 0.5000000 0.2455877 0.1647331), wk = 0.0037313 k( 246) = ( 0.5000000 -0.3861894 -0.2590446), wk = 0.0037313 k( 247) = ( 0.5125015 -0.3750263 -0.2515568), wk = 0.0037313 k( 248) = ( 0.5250030 -0.3638632 -0.2440689), wk = 0.0037313 k( 249) = ( 0.5375045 -0.3527002 -0.2365810), wk = 0.0037313 k( 250) = ( 0.5500060 -0.3415371 -0.2290932), wk = 0.0037313 k( 251) = ( 0.5625075 -0.3303740 -0.2216053), wk = 0.0037313 k( 252) = ( 0.5750090 -0.3192109 -0.2141174), wk = 0.0037313 k( 253) = ( 0.5875105 -0.3080478 -0.2066296), wk = 0.0037313 k( 254) = ( 0.6000121 -0.2968848 -0.1991417), wk = 0.0037313 k( 255) = ( 0.6125136 -0.2857217 -0.1916538), wk = 0.0037313 k( 256) = ( 0.6250151 -0.2745586 -0.1841660), wk = 0.0037313 k( 257) = ( 0.6375166 -0.2633955 -0.1766781), wk = 0.0037313 k( 258) = ( 0.6500181 -0.2522325 -0.1691902), wk = 0.0037313 k( 259) = ( 0.6625196 -0.2410694 -0.1617024), wk = 0.0037313 k( 260) = ( 0.6750211 -0.2299063 -0.1542145), wk = 0.0037313 k( 261) = ( 0.6875226 -0.2187433 -0.1467266), wk = 0.0037313 k( 262) = ( 0.7000241 -0.2075802 -0.1392388), wk = 0.0037313 k( 263) = ( 0.7125256 -0.1964171 -0.1317509), wk = 0.0037313 k( 264) = ( 0.7250271 -0.1852540 -0.1242630), wk = 0.0037313 k( 265) = ( 0.7375286 -0.1740909 -0.1167752), wk = 0.0037313 k( 266) = ( 0.7500301 -0.1629279 -0.1092873), wk = 0.0037313 k( 267) = ( 0.7625316 -0.1517648 -0.1017994), wk = 0.0037313 k( 268) = ( 0.7750331 -0.1406017 -0.0943116), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0131579 -0.0000000 0.0000000), wk = 0.0037313 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0037313 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0037313 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0037313 k( 6) = ( 0.0657895 -0.0000000 0.0000000), wk = 0.0037313 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0037313 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0037313 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0037313 k( 10) = ( 0.1184210 0.0000000 0.0000000), wk = 0.0037313 k( 11) = ( 0.1315790 -0.0000000 0.0000000), wk = 0.0037313 k( 12) = ( 0.1447368 -0.0000000 0.0000000), wk = 0.0037313 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0037313 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0037313 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0037313 k( 16) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0037313 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0037313 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0037313 k( 19) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0037313 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0037313 k( 21) = ( 0.2631579 -0.0000000 0.0000000), wk = 0.0037313 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0037313 k( 23) = ( 0.2894737 -0.0000000 0.0000000), wk = 0.0037313 k( 24) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0037313 k( 25) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0037313 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0037313 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0037313 k( 28) = ( 0.3552632 -0.0000000 0.0000000), wk = 0.0037313 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0037313 k( 30) = ( 0.3815789 -0.0000000 0.0000000), wk = 0.0037313 k( 31) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0037313 k( 32) = ( 0.4078947 -0.0000000 0.0000000), wk = 0.0037313 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0037313 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0037313 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0037313 k( 36) = ( 0.4605263 -0.0000000 0.0000000), wk = 0.0037313 k( 37) = ( 0.4736842 -0.0000000 0.0000000), wk = 0.0037313 k( 38) = ( 0.4868421 0.0000000 0.0000000), wk = 0.0037313 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313 k( 41) = ( 0.5000000 0.0080345 -0.0080345), wk = 0.0037313 k( 42) = ( 0.5000000 0.0160691 -0.0160691), wk = 0.0037313 k( 43) = ( 0.5000000 0.0241036 -0.0241036), wk = 0.0037313 k( 44) = ( 0.5000000 0.0321381 -0.0321381), wk = 0.0037313 k( 45) = ( 0.5000000 0.0401726 -0.0401726), wk = 0.0037313 k( 46) = ( 0.5000000 0.0482072 -0.0482072), wk = 0.0037313 k( 47) = ( 0.5000000 0.0562417 -0.0562417), wk = 0.0037313 k( 48) = ( 0.5000000 0.0642762 -0.0642762), wk = 0.0037313 k( 49) = ( 0.5000000 0.0723108 -0.0723108), wk = 0.0037313 k( 50) = ( 0.5000000 0.0803453 -0.0803453), wk = 0.0037313 k( 51) = ( 0.5000000 0.0883798 -0.0883798), wk = 0.0037313 k( 52) = ( 0.5000000 0.0964144 -0.0964144), wk = 0.0037313 k( 53) = ( 0.5000000 0.1044489 -0.1044489), wk = 0.0037313 k( 54) = ( 0.5000000 0.1124834 -0.1124834), wk = 0.0037313 k( 55) = ( 0.5000000 0.1205180 -0.1205180), wk = 0.0037313 k( 56) = ( 0.5000000 0.1285525 -0.1285525), wk = 0.0037313 k( 57) = ( 0.5000000 0.1365870 -0.1365870), wk = 0.0037313 k( 58) = ( 0.5000000 0.1446215 -0.1446215), wk = 0.0037313 k( 59) = ( 0.5000000 0.1526561 -0.1526561), wk = 0.0037313 k( 60) = ( 0.5000000 0.1606906 -0.1606906), wk = 0.0037313 k( 61) = ( 0.5000000 0.1687251 -0.1687251), wk = 0.0037313 k( 62) = ( 0.5000000 0.1767597 -0.1767597), wk = 0.0037313 k( 63) = ( 0.5000000 0.1847942 -0.1847942), wk = 0.0037313 k( 64) = ( 0.5000000 0.1928287 -0.1928287), wk = 0.0037313 k( 65) = ( 0.5000000 0.2008633 -0.2008633), wk = 0.0037313 k( 66) = ( 0.5000000 0.2088978 -0.2088978), wk = 0.0037313 k( 67) = ( 0.5000000 0.2169323 -0.2169323), wk = 0.0037313 k( 68) = ( 0.5000000 0.2249669 -0.2249669), wk = 0.0037313 k( 69) = ( 0.7750331 0.5000000 0.2249669), wk = 0.0037313 k( 70) = ( 0.7669439 0.5000000 0.2330561), wk = 0.0037313 k( 71) = ( 0.7588547 0.5000000 0.2411453), wk = 0.0037313 k( 72) = ( 0.7507655 0.5000000 0.2492345), wk = 0.0037313 k( 73) = ( 0.7426763 0.5000000 0.2573237), wk = 0.0037313 k( 74) = ( 0.7345871 0.5000000 0.2654129), wk = 0.0037313 k( 75) = ( 0.7264979 0.5000000 0.2735021), wk = 0.0037313 k( 76) = ( 0.7184087 0.5000000 0.2815913), wk = 0.0037313 k( 77) = ( 0.7103195 0.5000000 0.2896805), wk = 0.0037313 k( 78) = ( 0.7022302 0.5000000 0.2977697), wk = 0.0037313 k( 79) = ( 0.6941410 0.5000000 0.3058590), wk = 0.0037313 k( 80) = ( 0.6860518 0.5000000 0.3139482), wk = 0.0037313 k( 81) = ( 0.6779626 0.5000000 0.3220374), wk = 0.0037313 k( 82) = ( 0.6698734 0.5000000 0.3301266), wk = 0.0037313 k( 83) = ( 0.6617842 0.5000000 0.3382158), wk = 0.0037313 k( 84) = ( 0.6536950 0.5000000 0.3463050), wk = 0.0037313 k( 85) = ( 0.6456058 0.5000000 0.3543942), wk = 0.0037313 k( 86) = ( 0.6375166 0.5000000 0.3624834), wk = 0.0037313 k( 87) = ( 0.6294274 0.5000000 0.3705726), wk = 0.0037313 k( 88) = ( 0.6213382 0.5000000 0.3786619), wk = 0.0037313 k( 89) = ( 0.6132489 0.5000000 0.3867511), wk = 0.0037313 k( 90) = ( 0.6051597 0.5000000 0.3948403), wk = 0.0037313 k( 91) = ( 0.5970705 0.5000000 0.4029295), wk = 0.0037313 k( 92) = ( 0.5889813 0.5000000 0.4110187), wk = 0.0037313 k( 93) = ( 0.5808921 0.5000000 0.4191079), wk = 0.0037313 k( 94) = ( 0.5728029 0.5000000 0.4271971), wk = 0.0037313 k( 95) = ( 0.5647137 0.5000000 0.4352863), wk = 0.0037313 k( 96) = ( 0.5566245 0.5000000 0.4433755), wk = 0.0037313 k( 97) = ( 0.5485353 0.5000000 0.4514647), wk = 0.0037313 k( 98) = ( 0.5404461 0.5000000 0.4595540), wk = 0.0037313 k( 99) = ( 0.5323568 0.5000000 0.4676432), wk = 0.0037313 k( 100) = ( 0.5242676 0.5000000 0.4757324), wk = 0.0037313 k( 101) = ( 0.5161784 0.5000000 0.4838216), wk = 0.0037313 k( 102) = ( 0.5080892 0.5000000 0.4919108), wk = 0.0037313 k( 103) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 105) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0037313 k( 106) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0037313 k( 107) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0037313 k( 108) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0037313 k( 109) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0037313 k( 110) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0037313 k( 111) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0037313 k( 112) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037313 k( 113) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0037313 k( 114) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0037313 k( 115) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0037313 k( 116) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0037313 k( 117) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0037313 k( 118) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0037313 k( 119) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0037313 k( 120) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 121) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0037313 k( 122) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0037313 k( 123) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0037313 k( 124) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0037313 k( 125) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0037313 k( 126) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0037313 k( 127) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0037313 k( 128) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037313 k( 129) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0037313 k( 130) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0037313 k( 131) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0037313 k( 132) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0037313 k( 133) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0037313 k( 134) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0037313 k( 135) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0037313 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 138) = ( 0.0080552 -0.0000000 -0.0080552), wk = 0.0037313 k( 139) = ( 0.0161104 -0.0000000 -0.0161104), wk = 0.0037313 k( 140) = ( 0.0241656 -0.0000000 -0.0241656), wk = 0.0037313 k( 141) = ( 0.0322207 -0.0000000 -0.0322207), wk = 0.0037313 k( 142) = ( 0.0402759 0.0000000 -0.0402759), wk = 0.0037313 k( 143) = ( 0.0483311 -0.0000000 -0.0483311), wk = 0.0037313 k( 144) = ( 0.0563863 0.0000000 -0.0563863), wk = 0.0037313 k( 145) = ( 0.0644415 -0.0000000 -0.0644415), wk = 0.0037313 k( 146) = ( 0.0724967 -0.0000000 -0.0724967), wk = 0.0037313 k( 147) = ( 0.0805519 -0.0000000 -0.0805519), wk = 0.0037313 k( 148) = ( 0.0886071 -0.0000000 -0.0886071), wk = 0.0037313 k( 149) = ( 0.0966623 -0.0000000 -0.0966622), wk = 0.0037313 k( 150) = ( 0.1047174 0.0000000 -0.1047174), wk = 0.0037313 k( 151) = ( 0.1127726 0.0000000 -0.1127726), wk = 0.0037313 k( 152) = ( 0.1208278 0.0000000 -0.1208278), wk = 0.0037313 k( 153) = ( 0.1288830 -0.0000000 -0.1288830), wk = 0.0037313 k( 154) = ( 0.1369382 -0.0000000 -0.1369382), wk = 0.0037313 k( 155) = ( 0.1449934 -0.0000000 -0.1449934), wk = 0.0037313 k( 156) = ( 0.1530486 0.0000000 -0.1530486), wk = 0.0037313 k( 157) = ( 0.1611037 -0.0000000 -0.1611037), wk = 0.0037313 k( 158) = ( 0.1691589 -0.0000000 -0.1691589), wk = 0.0037313 k( 159) = ( 0.1772141 -0.0000000 -0.1772141), wk = 0.0037313 k( 160) = ( 0.1852693 0.0000000 -0.1852693), wk = 0.0037313 k( 161) = ( 0.1933245 -0.0000000 -0.1933245), wk = 0.0037313 k( 162) = ( 0.2013797 -0.0000000 -0.2013797), wk = 0.0037313 k( 163) = ( 0.2094349 -0.0000000 -0.2094349), wk = 0.0037313 k( 164) = ( 0.2174901 -0.0000000 -0.2174901), wk = 0.0037313 k( 165) = ( 0.2255453 -0.0000000 -0.2255452), wk = 0.0037313 k( 166) = ( 0.2336004 -0.0000000 -0.2336004), wk = 0.0037313 k( 167) = ( 0.2416556 0.0000000 -0.2416556), wk = 0.0037313 k( 168) = ( 0.2497108 -0.0000000 -0.2497108), wk = 0.0037313 k( 169) = ( 0.2577660 -0.0000000 -0.2577660), wk = 0.0037313 k( 170) = ( 0.2658212 0.0000000 -0.2658212), wk = 0.0037313 k( 171) = ( 0.2738764 -0.0000000 -0.2738764), wk = 0.0037313 k( 172) = ( 0.2819316 -0.0000000 -0.2819316), wk = 0.0037313 k( 173) = ( 0.2899867 -0.0000000 -0.2899867), wk = 0.0037313 k( 174) = ( 0.2980419 -0.0000000 -0.2980419), wk = 0.0037313 k( 175) = ( 0.3060971 0.0000000 -0.3060971), wk = 0.0037313 k( 176) = ( 0.3141523 -0.0000000 -0.3141523), wk = 0.0037313 k( 177) = ( 0.3222075 0.0000000 -0.3222075), wk = 0.0037313 k( 178) = ( 0.3302627 0.0000000 -0.3302627), wk = 0.0037313 k( 179) = ( 0.3383179 0.0000000 -0.3383179), wk = 0.0037313 k( 180) = ( 0.3463731 -0.0000000 -0.3463731), wk = 0.0037313 k( 181) = ( 0.3544282 -0.0000000 -0.3544282), wk = 0.0037313 k( 182) = ( 0.3624834 -0.0000000 -0.3624834), wk = 0.0037313 k( 183) = ( 0.6375166 0.3624834 0.0000000), wk = 0.0037313 k( 184) = ( 0.6294274 0.3705726 0.0000000), wk = 0.0037313 k( 185) = ( 0.6213382 0.3786618 -0.0000000), wk = 0.0037313 k( 186) = ( 0.6132489 0.3867511 0.0000000), wk = 0.0037313 k( 187) = ( 0.6051597 0.3948403 0.0000000), wk = 0.0037313 k( 188) = ( 0.5970705 0.4029295 0.0000000), wk = 0.0037313 k( 189) = ( 0.5889813 0.4110187 0.0000000), wk = 0.0037313 k( 190) = ( 0.5808921 0.4191079 0.0000000), wk = 0.0037313 k( 191) = ( 0.5728029 0.4271971 0.0000000), wk = 0.0037313 k( 192) = ( 0.5647137 0.4352863 0.0000000), wk = 0.0037313 k( 193) = ( 0.5566245 0.4433755 0.0000000), wk = 0.0037313 k( 194) = ( 0.5485353 0.4514647 0.0000000), wk = 0.0037313 k( 195) = ( 0.5404461 0.4595539 0.0000000), wk = 0.0037313 k( 196) = ( 0.5323568 0.4676432 0.0000000), wk = 0.0037313 k( 197) = ( 0.5242676 0.4757324 0.0000000), wk = 0.0037313 k( 198) = ( 0.5161784 0.4838216 0.0000000), wk = 0.0037313 k( 199) = ( 0.5080892 0.4919108 0.0000000), wk = 0.0037313 k( 200) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037313 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037313 k( 202) = ( 0.5105782 0.5105782 0.0173051), wk = 0.0037313 k( 203) = ( 0.5211564 0.5211564 0.0346103), wk = 0.0037313 k( 204) = ( 0.5317346 0.5317346 0.0519154), wk = 0.0037313 k( 205) = ( 0.5423128 0.5423128 0.0692206), wk = 0.0037313 k( 206) = ( 0.5528910 0.5528910 0.0865257), wk = 0.0037313 k( 207) = ( 0.5634692 0.5634692 0.1038309), wk = 0.0037313 k( 208) = ( 0.5740474 0.5740474 0.1211360), wk = 0.0037313 k( 209) = ( 0.5846256 0.5846256 0.1384411), wk = 0.0037313 k( 210) = ( 0.5952038 0.5952038 0.1557463), wk = 0.0037313 k( 211) = ( 0.6057820 0.6057820 0.1730514), wk = 0.0037313 k( 212) = ( 0.6163602 0.6163602 0.1903566), wk = 0.0037313 k( 213) = ( 0.6269384 0.6269384 0.2076617), wk = 0.0037313 k( 214) = ( 0.6375166 0.6375166 0.2249669), wk = 0.0037313 k( 215) = ( 0.6375166 0.6375166 0.2249669), wk = 0.0037313 k( 216) = ( 0.6329327 0.6329327 0.2341346), wk = 0.0037313 k( 217) = ( 0.6283488 0.6283488 0.2433024), wk = 0.0037313 k( 218) = ( 0.6237649 0.6237649 0.2524702), wk = 0.0037313 k( 219) = ( 0.6191810 0.6191810 0.2616380), wk = 0.0037313 k( 220) = ( 0.6145971 0.6145971 0.2708057), wk = 0.0037313 k( 221) = ( 0.6100133 0.6100133 0.2799735), wk = 0.0037313 k( 222) = ( 0.6054294 0.6054294 0.2891413), wk = 0.0037313 k( 223) = ( 0.6008455 0.6008455 0.2983090), wk = 0.0037313 k( 224) = ( 0.5962616 0.5962616 0.3074768), wk = 0.0037313 k( 225) = ( 0.5916777 0.5916777 0.3166446), wk = 0.0037313 k( 226) = ( 0.5870938 0.5870938 0.3258123), wk = 0.0037313 k( 227) = ( 0.5825099 0.5825099 0.3349801), wk = 0.0037313 k( 228) = ( 0.5779261 0.5779261 0.3441479), wk = 0.0037313 k( 229) = ( 0.5733422 0.5733422 0.3533157), wk = 0.0037313 k( 230) = ( 0.5687583 0.5687583 0.3624834), wk = 0.0037313 k( 231) = ( 0.5641744 0.5641744 0.3716512), wk = 0.0037313 k( 232) = ( 0.5595905 0.5595905 0.3808190), wk = 0.0037313 k( 233) = ( 0.5550066 0.5550066 0.3899867), wk = 0.0037313 k( 234) = ( 0.5504227 0.5504227 0.3991545), wk = 0.0037313 k( 235) = ( 0.5458389 0.5458389 0.4083223), wk = 0.0037313 k( 236) = ( 0.5412550 0.5412550 0.4174901), wk = 0.0037313 k( 237) = ( 0.5366711 0.5366711 0.4266578), wk = 0.0037313 k( 238) = ( 0.5320872 0.5320872 0.4358256), wk = 0.0037313 k( 239) = ( 0.5275033 0.5275033 0.4449934), wk = 0.0037313 k( 240) = ( 0.5229194 0.5229194 0.4541611), wk = 0.0037313 k( 241) = ( 0.5183355 0.5183355 0.4633289), wk = 0.0037313 k( 242) = ( 0.5137517 0.5137517 0.4724967), wk = 0.0037313 k( 243) = ( 0.5091678 0.5091678 0.4816645), wk = 0.0037313 k( 244) = ( 0.5045839 0.5045839 0.4908322), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037313 k( 246) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313 k( 247) = ( 0.5125015 0.0164765 0.0164765), wk = 0.0037313 k( 248) = ( 0.5250030 0.0329530 0.0329530), wk = 0.0037313 k( 249) = ( 0.5375045 0.0494296 0.0494296), wk = 0.0037313 k( 250) = ( 0.5500060 0.0659061 0.0659061), wk = 0.0037313 k( 251) = ( 0.5625075 0.0823826 0.0823826), wk = 0.0037313 k( 252) = ( 0.5750090 0.0988591 0.0988591), wk = 0.0037313 k( 253) = ( 0.5875105 0.1153356 0.1153356), wk = 0.0037313 k( 254) = ( 0.6000121 0.1318122 0.1318122), wk = 0.0037313 k( 255) = ( 0.6125136 0.1482887 0.1482887), wk = 0.0037313 k( 256) = ( 0.6250151 0.1647652 0.1647652), wk = 0.0037313 k( 257) = ( 0.6375166 0.1812417 0.1812417), wk = 0.0037313 k( 258) = ( 0.6500181 0.1977182 0.1977182), wk = 0.0037313 k( 259) = ( 0.6625196 0.2141947 0.2141948), wk = 0.0037313 k( 260) = ( 0.6750211 0.2306713 0.2306713), wk = 0.0037313 k( 261) = ( 0.6875226 0.2471478 0.2471478), wk = 0.0037313 k( 262) = ( 0.7000241 0.2636243 0.2636243), wk = 0.0037313 k( 263) = ( 0.7125256 0.2801008 0.2801008), wk = 0.0037313 k( 264) = ( 0.7250271 0.2965773 0.2965773), wk = 0.0037313 k( 265) = ( 0.7375286 0.3130539 0.3130539), wk = 0.0037313 k( 266) = ( 0.7500301 0.3295304 0.3295304), wk = 0.0037313 k( 267) = ( 0.7625316 0.3460069 0.3460069), wk = 0.0037313 k( 268) = ( 0.7750331 0.3624834 0.3624834), wk = 0.0037313 Dense grid: 206157 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 32873 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 230, 82) NL pseudopotentials 0.32 Mb ( 115, 180) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.04 Mb ( 5728) G-vector shells 0.03 Mb ( 4509) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 230, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.45 Mb ( 180, 2, 82) The potential is recalculated from file : ./CdGeO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 7.6 secs Computing kpt #: 3 total cpu time spent up to now is 9.0 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 11.7 secs Computing kpt #: 6 total cpu time spent up to now is 13.0 secs Computing kpt #: 7 total cpu time spent up to now is 14.2 secs Computing kpt #: 8 total cpu time spent up to now is 15.5 secs Computing kpt #: 9 total cpu time spent up to now is 17.0 secs Computing kpt #: 10 total cpu time spent up to now is 18.3 secs Computing kpt #: 11 total cpu time spent up to now is 19.8 secs Computing kpt #: 12 total cpu time spent up to now is 21.1 secs Computing kpt #: 13 total cpu time spent up to now is 22.5 secs Computing kpt #: 14 total cpu time spent up to now is 24.2 secs Computing kpt #: 15 total cpu time spent up to now is 25.9 secs Computing kpt #: 16 total cpu time spent up to now is 27.3 secs Computing kpt #: 17 total cpu time spent up to now is 28.8 secs Computing kpt #: 18 total cpu time spent up to now is 30.2 secs Computing kpt #: 19 total cpu time spent up to now is 31.7 secs Computing kpt #: 20 total cpu time spent up to now is 33.2 secs Computing kpt #: 21 total cpu time spent up to now is 34.7 secs Computing kpt #: 22 total cpu time spent up to now is 36.2 secs Computing kpt #: 23 total cpu time spent up to now is 37.7 secs Computing kpt #: 24 total cpu time spent up to now is 39.1 secs Computing kpt #: 25 total cpu time spent up to now is 40.3 secs Computing kpt #: 26 total cpu time spent up to now is 41.5 secs Computing kpt #: 27 total cpu time spent up to now is 42.7 secs Computing kpt #: 28 total cpu time spent up to now is 43.8 secs Computing kpt #: 29 total cpu time spent up to now is 45.0 secs Computing kpt #: 30 total cpu time spent up to now is 46.1 secs Computing kpt #: 31 total cpu time spent up to now is 47.5 secs Computing kpt #: 32 total cpu time spent up to now is 48.8 secs Computing kpt #: 33 total cpu time spent up to now is 50.6 secs Computing kpt #: 34 total cpu time spent up to now is 52.4 secs Computing kpt #: 35 total cpu time spent up to now is 54.4 secs Computing kpt #: 36 total cpu time spent up to now is 56.4 secs Computing kpt #: 37 total cpu time spent up to now is 59.0 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.8 secs Computing kpt #: 39 total cpu time spent up to now is 64.0 secs Computing kpt #: 40 total cpu time spent up to now is 66.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.3 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.1 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.0 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.8 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.6 secs Computing kpt #: 46 total cpu time spent up to now is 83.2 secs Computing kpt #: 47 total cpu time spent up to now is 85.3 secs Computing kpt #: 48 total cpu time spent up to now is 87.1 secs Computing kpt #: 49 total cpu time spent up to now is 88.7 secs Computing kpt #: 50 total cpu time spent up to now is 90.2 secs Computing kpt #: 51 total cpu time spent up to now is 91.4 secs Computing kpt #: 52 total cpu time spent up to now is 92.6 secs Computing kpt #: 53 total cpu time spent up to now is 93.7 secs Computing kpt #: 54 total cpu time spent up to now is 94.8 secs Computing kpt #: 55 total cpu time spent up to now is 95.8 secs Computing kpt #: 56 total cpu time spent up to now is 96.7 secs Computing kpt #: 57 total cpu time spent up to now is 97.7 secs Computing kpt #: 58 total cpu time spent up to now is 98.7 secs Computing kpt #: 59 total cpu time spent up to now is 99.6 secs Computing kpt #: 60 total cpu time spent up to now is 100.6 secs Computing kpt #: 61 total cpu time spent up to now is 101.6 secs Computing kpt #: 62 total cpu time spent up to now is 102.5 secs Computing kpt #: 63 total cpu time spent up to now is 103.5 secs Computing kpt #: 64 total cpu time spent up to now is 104.4 secs Computing kpt #: 65 total cpu time spent up to now is 105.4 secs Computing kpt #: 66 total cpu time spent up to now is 106.4 secs Computing kpt #: 67 total cpu time spent up to now is 107.3 secs Computing kpt #: 68 total cpu time spent up to now is 108.3 secs Computing kpt #: 69 total cpu time spent up to now is 109.2 secs Computing kpt #: 70 total cpu time spent up to now is 110.2 secs Computing kpt #: 71 total cpu time spent up to now is 111.1 secs Computing kpt #: 72 total cpu time spent up to now is 112.1 secs Computing kpt #: 73 total cpu time spent up to now is 113.0 secs Computing kpt #: 74 total cpu time spent up to now is 114.0 secs Computing kpt #: 75 total cpu time spent up to now is 114.9 secs Computing kpt #: 76 total cpu time spent up to now is 115.8 secs Computing kpt #: 77 total cpu time spent up to now is 116.8 secs Computing kpt #: 78 total cpu time spent up to now is 117.8 secs Computing kpt #: 79 total cpu time spent up to now is 118.9 secs Computing kpt #: 80 total cpu time spent up to now is 119.9 secs Computing kpt #: 81 total cpu time spent up to now is 121.0 secs Computing kpt #: 82 total cpu time spent up to now is 122.0 secs Computing kpt #: 83 total cpu time spent up to now is 123.1 secs Computing kpt #: 84 total cpu time spent up to now is 124.1 secs Computing kpt #: 85 total cpu time spent up to now is 125.2 secs Computing kpt #: 86 total cpu time spent up to now is 126.4 secs Computing kpt #: 87 total cpu time spent up to now is 127.5 secs Computing kpt #: 88 total cpu time spent up to now is 128.6 secs Computing kpt #: 89 total cpu time spent up to now is 129.7 secs Computing kpt #: 90 total cpu time spent up to now is 130.9 secs Computing kpt #: 91 total cpu time spent up to now is 132.1 secs Computing kpt #: 92 total cpu time spent up to now is 133.3 secs Computing kpt #: 93 total cpu time spent up to now is 134.4 secs Computing kpt #: 94 total cpu time spent up to now is 135.7 secs Computing kpt #: 95 total cpu time spent up to now is 136.8 secs Computing kpt #: 96 total cpu time spent up to now is 137.9 secs Computing kpt #: 97 total cpu time spent up to now is 139.0 secs Computing kpt #: 98 total cpu time spent up to now is 140.1 secs Computing kpt #: 99 total cpu time spent up to now is 141.2 secs Computing kpt #: 100 total cpu time spent up to now is 142.3 secs Computing kpt #: 101 total cpu time spent up to now is 143.5 secs Computing kpt #: 102 total cpu time spent up to now is 144.7 secs Computing kpt #: 103 total cpu time spent up to now is 145.9 secs Computing kpt #: 104 total cpu time spent up to now is 147.3 secs Computing kpt #: 105 total cpu time spent up to now is 148.4 secs Computing kpt #: 106 total cpu time spent up to now is 149.7 secs Computing kpt #: 107 total cpu time spent up to now is 150.8 secs Computing kpt #: 108 total cpu time spent up to now is 152.1 secs Computing kpt #: 109 total cpu time spent up to now is 153.6 secs Computing kpt #: 110 total cpu time spent up to now is 154.7 secs Computing kpt #: 111 total cpu time spent up to now is 157.0 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.8 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.6 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.3 secs Computing kpt #: 115 total cpu time spent up to now is 168.0 secs Computing kpt #: 116 total cpu time spent up to now is 170.2 secs Computing kpt #: 117 total cpu time spent up to now is 172.8 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.6 secs Computing kpt #: 119 total cpu time spent up to now is 177.5 secs Computing kpt #: 120 total cpu time spent up to now is 178.7 secs Computing kpt #: 121 total cpu time spent up to now is 180.6 secs Computing kpt #: 122 total cpu time spent up to now is 181.8 secs Computing kpt #: 123 total cpu time spent up to now is 183.1 secs Computing kpt #: 124 total cpu time spent up to now is 184.4 secs Computing kpt #: 125 total cpu time spent up to now is 185.9 secs Computing kpt #: 126 total cpu time spent up to now is 187.2 secs Computing kpt #: 127 total cpu time spent up to now is 188.5 secs Computing kpt #: 128 total cpu time spent up to now is 189.8 secs Computing kpt #: 129 total cpu time spent up to now is 191.3 secs Computing kpt #: 130 total cpu time spent up to now is 193.2 secs Computing kpt #: 131 total cpu time spent up to now is 195.0 secs Computing kpt #: 132 total cpu time spent up to now is 196.6 secs Computing kpt #: 133 total cpu time spent up to now is 198.3 secs Computing kpt #: 134 total cpu time spent up to now is 199.7 secs Computing kpt #: 135 total cpu time spent up to now is 201.2 secs Computing kpt #: 136 total cpu time spent up to now is 203.1 secs Computing kpt #: 137 total cpu time spent up to now is 204.6 secs Computing kpt #: 138 total cpu time spent up to now is 206.9 secs Computing kpt #: 139 total cpu time spent up to now is 208.4 secs Computing kpt #: 140 total cpu time spent up to now is 209.8 secs Computing kpt #: 141 total cpu time spent up to now is 211.1 secs Computing kpt #: 142 total cpu time spent up to now is 212.3 secs Computing kpt #: 143 total cpu time spent up to now is 213.7 secs Computing kpt #: 144 total cpu time spent up to now is 214.9 secs Computing kpt #: 145 total cpu time spent up to now is 215.8 secs Computing kpt #: 146 total cpu time spent up to now is 217.0 secs Computing kpt #: 147 total cpu time spent up to now is 218.2 secs Computing kpt #: 148 total cpu time spent up to now is 219.4 secs Computing kpt #: 149 total cpu time spent up to now is 220.6 secs Computing kpt #: 150 total cpu time spent up to now is 221.7 secs Computing kpt #: 151 total cpu time spent up to now is 222.9 secs Computing kpt #: 152 total cpu time spent up to now is 224.0 secs Computing kpt #: 153 total cpu time spent up to now is 225.3 secs Computing kpt #: 154 total cpu time spent up to now is 226.5 secs Computing kpt #: 155 total cpu time spent up to now is 227.7 secs Computing kpt #: 156 total cpu time spent up to now is 228.9 secs Computing kpt #: 157 total cpu time spent up to now is 230.2 secs Computing kpt #: 158 total cpu time spent up to now is 231.4 secs Computing kpt #: 159 total cpu time spent up to now is 232.6 secs Computing kpt #: 160 total cpu time spent up to now is 233.8 secs Computing kpt #: 161 total cpu time spent up to now is 235.0 secs Computing kpt #: 162 total cpu time spent up to now is 236.2 secs Computing kpt #: 163 total cpu time spent up to now is 237.5 secs Computing kpt #: 164 total cpu time spent up to now is 238.8 secs Computing kpt #: 165 total cpu time spent up to now is 240.3 secs Computing kpt #: 166 total cpu time spent up to now is 241.7 secs Computing kpt #: 167 total cpu time spent up to now is 243.2 secs Computing kpt #: 168 total cpu time spent up to now is 244.4 secs Computing kpt #: 169 total cpu time spent up to now is 246.0 secs Computing kpt #: 170 total cpu time spent up to now is 247.6 secs Computing kpt #: 171 total cpu time spent up to now is 249.1 secs Computing kpt #: 172 total cpu time spent up to now is 250.8 secs Computing kpt #: 173 total cpu time spent up to now is 252.3 secs Computing kpt #: 174 total cpu time spent up to now is 253.6 secs Computing kpt #: 175 total cpu time spent up to now is 254.9 secs Computing kpt #: 176 total cpu time spent up to now is 256.3 secs Computing kpt #: 177 total cpu time spent up to now is 257.5 secs Computing kpt #: 178 total cpu time spent up to now is 258.8 secs Computing kpt #: 179 total cpu time spent up to now is 259.7 secs Computing kpt #: 180 total cpu time spent up to now is 260.9 secs Computing kpt #: 181 total cpu time spent up to now is 262.0 secs Computing kpt #: 182 total cpu time spent up to now is 263.1 secs Computing kpt #: 183 total cpu time spent up to now is 264.2 secs Computing kpt #: 184 total cpu time spent up to now is 265.2 secs Computing kpt #: 185 total cpu time spent up to now is 266.4 secs Computing kpt #: 186 total cpu time spent up to now is 267.9 secs Computing kpt #: 187 total cpu time spent up to now is 269.0 secs Computing kpt #: 188 total cpu time spent up to now is 270.2 secs Computing kpt #: 189 total cpu time spent up to now is 271.4 secs Computing kpt #: 190 total cpu time spent up to now is 272.3 secs Computing kpt #: 191 total cpu time spent up to now is 273.3 secs Computing kpt #: 192 total cpu time spent up to now is 274.3 secs Computing kpt #: 193 total cpu time spent up to now is 275.2 secs Computing kpt #: 194 total cpu time spent up to now is 276.1 secs Computing kpt #: 195 total cpu time spent up to now is 277.1 secs Computing kpt #: 196 total cpu time spent up to now is 278.0 secs Computing kpt #: 197 total cpu time spent up to now is 279.0 secs Computing kpt #: 198 total cpu time spent up to now is 279.9 secs Computing kpt #: 199 total cpu time spent up to now is 280.9 secs Computing kpt #: 200 total cpu time spent up to now is 281.8 secs Computing kpt #: 201 total cpu time spent up to now is 282.8 secs Computing kpt #: 202 total cpu time spent up to now is 283.7 secs Computing kpt #: 203 total cpu time spent up to now is 284.6 secs Computing kpt #: 204 total cpu time spent up to now is 285.6 secs Computing kpt #: 205 total cpu time spent up to now is 286.5 secs Computing kpt #: 206 total cpu time spent up to now is 287.5 secs Computing kpt #: 207 total cpu time spent up to now is 288.4 secs Computing kpt #: 208 total cpu time spent up to now is 289.4 secs Computing kpt #: 209 total cpu time spent up to now is 290.3 secs Computing kpt #: 210 total cpu time spent up to now is 291.3 secs Computing kpt #: 211 total cpu time spent up to now is 292.2 secs Computing kpt #: 212 total cpu time spent up to now is 293.2 secs Computing kpt #: 213 total cpu time spent up to now is 294.3 secs Computing kpt #: 214 total cpu time spent up to now is 295.5 secs Computing kpt #: 215 total cpu time spent up to now is 296.6 secs Computing kpt #: 216 total cpu time spent up to now is 297.8 secs Computing kpt #: 217 total cpu time spent up to now is 298.9 secs Computing kpt #: 218 total cpu time spent up to now is 300.1 secs Computing kpt #: 219 total cpu time spent up to now is 301.3 secs Computing kpt #: 220 total cpu time spent up to now is 302.4 secs Computing kpt #: 221 total cpu time spent up to now is 303.6 secs Computing kpt #: 222 total cpu time spent up to now is 304.9 secs Computing kpt #: 223 total cpu time spent up to now is 306.0 secs Computing kpt #: 224 total cpu time spent up to now is 307.3 secs Computing kpt #: 225 total cpu time spent up to now is 308.4 secs Computing kpt #: 226 total cpu time spent up to now is 309.6 secs Computing kpt #: 227 total cpu time spent up to now is 310.7 secs Computing kpt #: 228 total cpu time spent up to now is 311.6 secs Computing kpt #: 229 total cpu time spent up to now is 312.8 secs Computing kpt #: 230 total cpu time spent up to now is 314.0 secs Computing kpt #: 231 total cpu time spent up to now is 315.2 secs Computing kpt #: 232 total cpu time spent up to now is 316.3 secs Computing kpt #: 233 total cpu time spent up to now is 317.4 secs Computing kpt #: 234 total cpu time spent up to now is 318.4 secs Computing kpt #: 235 total cpu time spent up to now is 319.5 secs Computing kpt #: 236 total cpu time spent up to now is 320.4 secs Computing kpt #: 237 total cpu time spent up to now is 321.5 secs Computing kpt #: 238 total cpu time spent up to now is 322.6 secs Computing kpt #: 239 total cpu time spent up to now is 323.7 secs Computing kpt #: 240 total cpu time spent up to now is 324.8 secs Computing kpt #: 241 total cpu time spent up to now is 325.8 secs Computing kpt #: 242 total cpu time spent up to now is 326.9 secs Computing kpt #: 243 total cpu time spent up to now is 328.0 secs Computing kpt #: 244 total cpu time spent up to now is 329.3 secs Computing kpt #: 245 total cpu time spent up to now is 330.6 secs Computing kpt #: 246 total cpu time spent up to now is 333.1 secs Computing kpt #: 247 total cpu time spent up to now is 335.0 secs Computing kpt #: 248 total cpu time spent up to now is 337.5 secs Computing kpt #: 249 total cpu time spent up to now is 339.3 secs Computing kpt #: 250 total cpu time spent up to now is 341.3 secs Computing kpt #: 251 total cpu time spent up to now is 342.9 secs Computing kpt #: 252 total cpu time spent up to now is 344.4 secs Computing kpt #: 253 total cpu time spent up to now is 346.0 secs Computing kpt #: 254 total cpu time spent up to now is 347.3 secs Computing kpt #: 255 total cpu time spent up to now is 348.5 secs Computing kpt #: 256 total cpu time spent up to now is 349.9 secs Computing kpt #: 257 total cpu time spent up to now is 351.0 secs Computing kpt #: 258 total cpu time spent up to now is 352.1 secs Computing kpt #: 259 total cpu time spent up to now is 353.5 secs Computing kpt #: 260 total cpu time spent up to now is 354.9 secs Computing kpt #: 261 total cpu time spent up to now is 356.2 secs Computing kpt #: 262 total cpu time spent up to now is 357.4 secs Computing kpt #: 263 total cpu time spent up to now is 358.7 secs Computing kpt #: 264 total cpu time spent up to now is 359.8 secs Computing kpt #: 265 total cpu time spent up to now is 361.0 secs Computing kpt #: 266 total cpu time spent up to now is 362.1 secs Computing kpt #: 267 total cpu time spent up to now is 363.2 secs Computing kpt #: 268 total cpu time spent up to now is 364.3 secs ethr = 1.47E-08, avg # of iterations = 37.1 total cpu time spent up to now is 364.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4101 PWs) bands (ev): -11.4147 -11.4147 -9.1979 -9.1979 -9.1927 -9.1927 -9.1815 -9.1815 -8.3636 -8.3636 -8.3592 -8.3592 -0.8766 -0.8766 0.6258 0.6258 1.1948 1.1948 1.3017 1.3017 1.3630 1.3630 1.3762 1.3762 1.7859 1.7859 1.9978 1.9978 2.0603 2.0603 2.0649 2.0649 2.1560 2.1560 2.3322 2.3322 3.2566 3.2566 3.3949 3.3949 3.4245 3.4245 4.4593 4.4593 4.5182 4.5182 5.6235 5.6235 5.6400 5.6400 6.7691 6.7691 6.7794 6.7794 6.9774 6.9774 7.0034 7.0034 7.5119 7.5119 7.6704 7.6704 7.6922 7.6922 7.7352 7.7352 7.7386 7.7386 9.6427 9.6427 13.7546 13.7546 14.7541 14.7541 15.0993 15.0993 16.9935 16.9935 17.3429 17.3429 17.3657 17.3657 k = 0.0132-0.0102-0.0068 ( 4099 PWs) bands (ev): -11.4140 -11.4140 -9.2003 -9.2003 -9.1919 -9.1919 -9.1810 -9.1810 -8.3637 -8.3637 -8.3593 -8.3593 -0.8752 -0.8752 0.6259 0.6259 1.1945 1.1945 1.3012 1.3012 1.3559 1.3559 1.3844 1.3844 1.7851 1.7851 1.9972 1.9972 2.0596 2.0596 2.0662 2.0662 2.1572 2.1572 2.3319 2.3319 3.2569 3.2569 3.3951 3.3951 3.4245 3.4245 4.4588 4.4588 4.5175 4.5175 5.6236 5.6236 5.6455 5.6455 6.7674 6.7674 6.7778 6.7778 6.9753 6.9753 7.0017 7.0017 7.5088 7.5088 7.6681 7.6681 7.6889 7.6889 7.7352 7.7352 7.7417 7.7417 9.6500 9.6500 13.7551 13.7551 14.7552 14.7552 15.0982 15.0982 16.9846 16.9846 17.2948 17.2948 17.4161 17.4161 k = 0.0263-0.0203-0.0136 ( 4095 PWs) bands (ev): -11.4119 -11.4119 -9.2051 -9.2051 -9.1925 -9.1925 -9.1791 -9.1791 -8.3640 -8.3640 -8.3595 -8.3595 -0.8711 -0.8711 0.6262 0.6262 1.1933 1.1933 1.2993 1.2993 1.3464 1.3464 1.3975 1.3975 1.7826 1.7826 1.9958 1.9958 2.0574 2.0574 2.0700 2.0700 2.1607 2.1607 2.3313 2.3313 3.2579 3.2579 3.3952 3.3952 3.4254 3.4254 4.4565 4.4565 4.5163 4.5163 5.6264 5.6264 5.6593 5.6593 6.7611 6.7611 6.7743 6.7743 6.9673 6.9673 6.9981 6.9981 7.4996 7.4996 7.6613 7.6613 7.6826 7.6826 7.7313 7.7313 7.7516 7.7516 9.6716 9.6716 13.7566 13.7566 14.7584 14.7584 15.0951 15.0951 16.9576 16.9576 17.2469 17.2469 17.4486 17.4486 k = 0.0395-0.0305-0.0205 ( 4097 PWs) bands (ev): -11.4084 -11.4084 -9.2111 -9.2111 -9.1956 -9.1956 -9.1757 -9.1757 -8.3647 -8.3647 -8.3595 -8.3595 -0.8642 -0.8642 0.6267 0.6267 1.1913 1.1913 1.2953 1.2953 1.3393 1.3393 1.4113 1.4113 1.7784 1.7784 1.9941 1.9941 2.0542 2.0542 2.0754 2.0754 2.1662 2.1662 2.3303 2.3303 3.2593 3.2593 3.3937 3.3937 3.4285 3.4285 4.4512 4.4512 4.5162 4.5162 5.6339 5.6339 5.6791 5.6791 6.7492 6.7492 6.7700 6.7700 6.9509 6.9509 6.9954 6.9954 7.4841 7.4841 7.6515 7.6515 7.6762 7.6762 7.7250 7.7250 7.7635 7.7635 9.7068 9.7068 13.7591 13.7591 14.7636 14.7636 15.0899 15.0899 16.9132 16.9132 17.2108 17.2108 17.4498 17.4498 k = 0.0526-0.0407-0.0273 ( 4097 PWs) bands (ev): -11.4036 -11.4036 -9.2187 -9.2187 -9.2002 -9.2002 -9.1714 -9.1714 -8.3660 -8.3660 -8.3593 -8.3593 -0.8546 -0.8546 0.6275 0.6275 1.1885 1.1885 1.2889 1.2889 1.3353 1.3353 1.4253 1.4253 1.7725 1.7725 1.9928 1.9928 2.0505 2.0505 2.0819 2.0819 2.1733 2.1733 2.3291 2.3291 3.2609 3.2609 3.3899 3.3899 3.4351 3.4351 4.4417 4.4417 4.5189 4.5189 5.6461 5.6461 5.7036 5.7036 6.7318 6.7318 6.7644 6.7644 6.9262 6.9262 6.9937 6.9937 7.4625 7.4625 7.6407 7.6407 7.6698 7.6698 7.7171 7.7171 7.7754 7.7754 9.7543 9.7543 13.7622 13.7622 14.7704 14.7704 15.0830 15.0830 16.8553 16.8553 17.1845 17.1845 17.4456 17.4456 k = 0.0658-0.0508-0.0341 ( 4097 PWs) bands (ev): -11.3974 -11.3974 -9.2284 -9.2284 -9.2054 -9.2054 -9.1667 -9.1667 -8.3680 -8.3680 -8.3589 -8.3589 -0.8423 -0.8423 0.6285 0.6285 1.1851 1.1851 1.2804 1.2804 1.3342 1.3342 1.4393 1.4393 1.7648 1.7648 1.9920 1.9920 2.0469 2.0469 2.0890 2.0890 2.1815 2.1815 2.3278 2.3278 3.2623 3.2623 3.3842 3.3842 3.4453 3.4453 4.4276 4.4276 4.5252 4.5252 5.6630 5.6630 5.7320 5.7320 6.7095 6.7095 6.7564 6.7564 6.8956 6.8956 6.9918 6.9918 7.4351 7.4351 7.6303 7.6303 7.6633 7.6633 7.7083 7.7083 7.7866 7.7866 9.8130 9.8130 13.7660 13.7660 14.7784 14.7784 15.0748 15.0748 16.7889 16.7889 17.1637 17.1637 17.4416 17.4416 k = 0.0789-0.0610-0.0409 ( 4105 PWs) bands (ev): -11.3898 -11.3898 -9.2405 -9.2405 -9.2106 -9.2106 -9.1616 -9.1616 -8.3705 -8.3705 -8.3582 -8.3582 -0.8274 -0.8274 0.6298 0.6298 1.1810 1.1810 1.2711 1.2711 1.3348 1.3348 1.4530 1.4530 1.7556 1.7556 1.9913 1.9913 2.0441 2.0441 2.0963 2.0963 2.1905 2.1905 2.3265 2.3265 3.2630 3.2630 3.3777 3.3777 3.4585 3.4585 4.4100 4.4100 4.5349 4.5349 5.6840 5.6840 5.7635 5.7635 6.6820 6.6820 6.7442 6.7442 6.8625 6.8625 6.9890 6.9890 7.4026 7.4026 7.6207 7.6207 7.6568 7.6568 7.6989 7.6989 7.7969 7.7969 9.8813 9.8813 13.7701 13.7701 14.7868 14.7868 15.0657 15.0657 16.7182 16.7182 17.1448 17.1448 17.4397 17.4397 k = 0.0921-0.0711-0.0477 ( 4102 PWs) bands (ev): -11.3808 -11.3808 -9.2551 -9.2551 -9.2156 -9.2156 -9.1563 -9.1563 -8.3735 -8.3735 -8.3573 -8.3573 -0.8100 -0.8100 0.6314 0.6314 1.1763 1.1763 1.2618 1.2618 1.3364 1.3364 1.4664 1.4664 1.7451 1.7451 1.9904 1.9904 2.0428 2.0428 2.1037 2.1037 2.2000 2.2000 2.3256 2.3256 3.2621 3.2621 3.3718 3.3718 3.4743 3.4743 4.3898 4.3898 4.5476 4.5476 5.7085 5.7085 5.7970 5.7970 6.6484 6.6484 6.7253 6.7253 6.8321 6.8321 6.9849 6.9849 7.3660 7.3660 7.6119 7.6119 7.6507 7.6507 7.6891 7.6891 7.8062 7.8062 9.9578 9.9578 13.7744 13.7744 14.7946 14.7946 15.0565 15.0565 16.6460 16.6460 17.1256 17.1256 17.4414 17.4414 k = 0.1053-0.0813-0.0545 ( 4107 PWs) bands (ev): -11.3705 -11.3705 -9.2721 -9.2721 -9.2206 -9.2206 -9.1507 -9.1507 -8.3770 -8.3770 -8.3564 -8.3564 -0.7901 -0.7901 0.6332 0.6332 1.1710 1.1710 1.2529 1.2529 1.3384 1.3384 1.4790 1.4790 1.7339 1.7339 1.9886 1.9886 2.0435 2.0435 2.1110 2.1110 2.2096 2.2096 2.3253 2.3253 3.2587 3.2587 3.3677 3.3677 3.4925 3.4925 4.3680 4.3680 4.5629 4.5629 5.7358 5.7358 5.8316 5.8316 6.6070 6.6070 6.6990 6.6990 6.8087 6.8087 6.9790 6.9790 7.3260 7.3260 7.6039 7.6039 7.6450 7.6450 7.6788 7.6788 7.8143 7.8143 10.0414 10.0414 13.7786 13.7786 14.8007 14.8007 15.0479 15.0479 16.5744 16.5744 17.1050 17.1050 17.4472 17.4472 k = 0.1184-0.0915-0.0614 ( 4109 PWs) bands (ev): -11.3589 -11.3589 -9.2913 -9.2913 -9.2255 -9.2255 -9.1447 -9.1447 -8.3811 -8.3811 -8.3553 -8.3553 -0.7679 -0.7679 0.6354 0.6354 1.1651 1.1651 1.2447 1.2447 1.3405 1.3405 1.4907 1.4907 1.7224 1.7224 1.9857 1.9857 2.0462 2.0462 2.1182 2.1182 2.2189 2.2189 2.3263 2.3263 3.2523 3.2523 3.3666 3.3666 3.5125 3.5125 4.3456 4.3456 4.5806 4.5806 5.7648 5.7648 5.8659 5.8659 6.5566 6.5566 6.6689 6.6689 6.7921 6.7921 6.9711 6.9711 7.2834 7.2834 7.5968 7.5968 7.6396 7.6396 7.6684 7.6684 7.8214 7.8214 10.1308 10.1308 13.7826 13.7826 14.8036 14.8036 15.0409 15.0409 16.5050 16.5050 17.0830 17.0830 17.4573 17.4573 k = 0.1316-0.1016-0.0682 ( 4112 PWs) bands (ev): -11.3460 -11.3460 -9.3125 -9.3125 -9.2304 -9.2304 -9.1385 -9.1385 -8.3856 -8.3856 -8.3541 -8.3541 -0.7434 -0.7434 0.6379 0.6379 1.1586 1.1586 1.2375 1.2375 1.3423 1.3423 1.5012 1.5012 1.7111 1.7111 1.9819 1.9819 2.0506 2.0506 2.1251 2.1251 2.2275 2.2275 2.3289 2.3289 3.2427 3.2427 3.3688 3.3688 3.5341 3.5341 4.3232 4.3232 4.6005 4.6005 5.7943 5.7943 5.8986 5.8986 6.4984 6.4984 6.6393 6.6393 6.7795 6.7795 6.9611 6.9611 7.2389 7.2389 7.5904 7.5904 7.6343 7.6343 7.6580 7.6580 7.8274 7.8274 10.2250 10.2250 13.7860 13.7860 14.8019 14.8019 15.0357 15.0357 16.4392 16.4392 17.0599 17.0599 17.4716 17.4716 k = 0.1447-0.1118-0.0750 ( 4107 PWs) bands (ev): -11.3318 -11.3318 -9.3358 -9.3358 -9.2353 -9.2353 -9.1319 -9.1319 -8.3905 -8.3905 -8.3530 -8.3530 -0.7169 -0.7169 0.6407 0.6407 1.1517 1.1517 1.2312 1.2312 1.3439 1.3439 1.5101 1.5101 1.7007 1.7007 1.9776 1.9776 2.0560 2.0560 2.1316 2.1316 2.2351 2.2351 2.3338 2.3338 3.2306 3.2306 3.3743 3.3743 3.5568 3.5568 4.3015 4.3015 4.6225 4.6225 5.8228 5.8228 5.9276 5.9276 6.4362 6.4362 6.6125 6.6125 6.7686 6.7686 6.9488 6.9488 7.1934 7.1934 7.5846 7.5846 7.6286 7.6286 7.6483 7.6483 7.8325 7.8325 10.3233 10.3233 13.7888 13.7888 14.7950 14.7950 15.0323 15.0323 16.3784 16.3784 17.0365 17.0365 17.4895 17.4895 k = 0.1579-0.1220-0.0818 ( 4113 PWs) bands (ev): -11.3163 -11.3163 -9.3609 -9.3609 -9.2402 -9.2402 -9.1251 -9.1251 -8.3959 -8.3959 -8.3517 -8.3517 -0.6884 -0.6884 0.6439 0.6439 1.1443 1.1443 1.2258 1.2258 1.3449 1.3449 1.5171 1.5171 1.6917 1.6917 1.9730 1.9730 2.0618 2.0618 2.1375 2.1375 2.2414 2.2414 2.3412 2.3412 3.2166 3.2166 3.3825 3.3825 3.5803 3.5803 4.2812 4.2812 4.6463 4.6463 5.8477 5.8477 5.9503 5.9503 6.3753 6.3753 6.5895 6.5895 6.7576 6.7576 6.9341 6.9341 7.1479 7.1479 7.5791 7.5791 7.6212 7.6212 7.6405 7.6405 7.8365 7.8365 10.4249 10.4249 13.7909 13.7909 14.7829 14.7829 15.0292 15.0292 16.3239 16.3239 17.0135 17.0135 17.5104 17.5104 k = 0.1711-0.1321-0.0886 ( 4113 PWs) bands (ev): -11.2995 -11.2995 -9.3877 -9.3877 -9.2452 -9.2452 -9.1179 -9.1179 -8.4018 -8.4018 -8.3505 -8.3505 -0.6580 -0.6580 0.6475 0.6475 1.1368 1.1368 1.2212 1.2212 1.3453 1.3453 1.5218 1.5218 1.6847 1.6847 1.9684 1.9684 2.0679 2.0679 2.1427 2.1427 2.2466 2.2466 2.3514 2.3514 3.2015 3.2015 3.3930 3.3930 3.6040 3.6040 4.2627 4.2627 4.6717 4.6717 5.8652 5.8652 5.9632 5.9632 6.3229 6.3229 6.5713 6.5713 6.7454 6.7454 6.9175 6.9175 7.1034 7.1034 7.5736 7.5736 7.6115 7.6115 7.6355 7.6355 7.8396 7.8396 10.5293 10.5293 13.7921 13.7921 14.7660 14.7660 15.0247 15.0247 16.2770 16.2770 16.9919 16.9919 17.5335 17.5335 k = 0.1842-0.1423-0.0954 ( 4115 PWs) bands (ev): -11.2816 -11.2816 -9.4161 -9.4161 -9.2502 -9.2502 -9.1104 -9.1104 -8.4081 -8.4081 -8.3493 -8.3493 -0.6260 -0.6260 0.6514 0.6514 1.1291 1.1291 1.2173 1.2173 1.3449 1.3449 1.5240 1.5240 1.6800 1.6800 1.9642 1.9642 2.0737 2.0737 2.1470 2.1470 2.2509 2.2509 2.3639 2.3639 3.1860 3.1860 3.4056 3.4056 3.6275 3.6275 4.2467 4.2467 4.6986 4.6986 5.8687 5.8687 5.9638 5.9638 6.2878 6.2878 6.5581 6.5581 6.7305 6.7305 6.8997 6.8997 7.0611 7.0611 7.5678 7.5678 7.6003 7.6003 7.6328 7.6328 7.8418 7.8418 10.6358 10.6358 13.7924 13.7924 14.7454 14.7454 15.0164 15.0164 16.2389 16.2389 16.9726 16.9726 17.5578 17.5578 k = 0.1974-0.1524-0.1023 ( 4115 PWs) bands (ev): -11.2624 -11.2624 -9.4460 -9.4460 -9.2552 -9.2552 -9.1026 -9.1026 -8.4147 -8.4147 -8.3481 -8.3481 -0.5926 -0.5926 0.6556 0.6556 1.1214 1.1214 1.2139 1.2139 1.3438 1.3438 1.5240 1.5240 1.6776 1.6776 1.9602 1.9602 2.0793 2.0793 2.1503 2.1503 2.2548 2.2548 2.3785 2.3785 3.1707 3.1707 3.4198 3.4198 3.6502 3.6502 4.2337 4.2337 4.7267 4.7267 5.8484 5.8484 5.9560 5.9560 6.2756 6.2756 6.5500 6.5500 6.7112 6.7112 6.8824 6.8824 7.0219 7.0219 7.5613 7.5613 7.5887 7.5887 7.6316 7.6316 7.8432 7.8432 10.7441 10.7441 13.7917 13.7917 14.7219 14.7219 15.0024 15.0024 16.2102 16.2102 16.9564 16.9564 17.5816 17.5816 k = 0.2105-0.1626-0.1091 ( 4115 PWs) bands (ev): -11.2421 -11.2421 -9.4773 -9.4773 -9.2603 -9.2603 -9.0945 -9.0945 -8.4218 -8.4218 -8.3469 -8.3469 -0.5579 -0.5579 0.6601 0.6601 1.1137 1.1137 1.2108 1.2108 1.3418 1.3418 1.5221 1.5221 1.6772 1.6772 1.9567 1.9567 2.0846 2.0846 2.1526 2.1526 2.2586 2.2586 2.3947 2.3947 3.1559 3.1559 3.4356 3.4356 3.6717 3.6717 4.2241 4.2241 4.7556 4.7556 5.8012 5.8012 5.9457 5.9457 6.2840 6.2840 6.5457 6.5457 6.6863 6.6863 6.8681 6.8681 6.9863 6.9863 7.5535 7.5535 7.5774 7.5774 7.6317 7.6317 7.8437 7.8437 10.8537 10.8537 13.7900 13.7900 14.6963 14.6963 14.9811 14.9811 16.1913 16.1913 16.9444 16.9444 17.6019 17.6019 k = 0.2237-0.1728-0.1159 ( 4114 PWs) bands (ev): -11.2207 -11.2207 -9.5099 -9.5099 -9.2653 -9.2653 -9.0861 -9.0861 -8.4292 -8.4292 -8.3457 -8.3457 -0.5221 -0.5221 0.6650 0.6650 1.1062 1.1062 1.2080 1.2080 1.3391 1.3391 1.5190 1.5190 1.6786 1.6786 1.9535 1.9535 2.0895 2.0895 2.1539 2.1539 2.2625 2.2625 2.4119 2.4119 3.1420 3.1420 3.4527 3.4527 3.6915 3.6915 4.2183 4.2183 4.7850 4.7850 5.7351 5.7351 5.9326 5.9326 6.3062 6.3062 6.5424 6.5424 6.6565 6.6565 6.8585 6.8585 6.9545 6.9545 7.5440 7.5440 7.5671 7.5671 7.6327 7.6327 7.8434 7.8434 10.9645 10.9645 13.7873 13.7873 14.6692 14.6692 14.9519 14.9519 16.1814 16.1814 16.9375 16.9375 17.6133 17.6133 k = 0.2368-0.1829-0.1227 ( 4112 PWs) bands (ev): -11.1981 -11.1981 -9.5436 -9.5436 -9.2703 -9.2703 -9.0774 -9.0774 -8.4370 -8.4370 -8.3446 -8.3446 -0.4855 -0.4855 0.6701 0.6701 1.0988 1.0988 1.2052 1.2052 1.3358 1.3358 1.5151 1.5151 1.6812 1.6812 1.9506 1.9506 2.0940 2.0940 2.1545 2.1545 2.2668 2.2668 2.4299 2.4299 3.1293 3.1293 3.4709 3.4709 3.7091 3.7091 4.2166 4.2166 4.8144 4.8144 5.6590 5.6590 5.9155 5.9155 6.3359 6.3359 6.5336 6.5336 6.6273 6.6273 6.8534 6.8534 6.9272 6.9272 7.5329 7.5329 7.5580 7.5580 7.6346 7.6346 7.8423 7.8423 11.0760 11.0760 13.7836 13.7836 14.6412 14.6412 14.9147 14.9147 16.1795 16.1795 16.9366 16.9366 17.6091 17.6091 k = 0.2500-0.1931-0.1295 ( 4116 PWs) bands (ev): -11.1746 -11.1746 -9.5783 -9.5783 -9.2752 -9.2752 -9.0686 -9.0686 -8.4451 -8.4451 -8.3435 -8.3435 -0.4483 -0.4483 0.6754 0.6754 1.0916 1.0916 1.2022 1.2022 1.3321 1.3321 1.5110 1.5110 1.6845 1.6845 1.9478 1.9478 2.0982 2.0982 2.1545 2.1545 2.2712 2.2712 2.4482 2.4482 3.1180 3.1180 3.4902 3.4902 3.7245 3.7245 4.2188 4.2188 4.8434 4.8434 5.5783 5.5783 5.8947 5.8947 6.3684 6.3684 6.5103 6.5103 6.6086 6.6086 6.8489 6.8489 6.9076 6.9076 7.5206 7.5206 7.5496 7.5496 7.6372 7.6372 7.8405 7.8405 11.1881 11.1881 13.7789 13.7789 14.6125 14.6125 14.8702 14.8702 16.1837 16.1837 16.9428 16.9428 17.5871 17.5871 k = 0.2632-0.2033-0.1363 ( 4118 PWs) bands (ev): -11.1501 -11.1501 -9.6139 -9.6139 -9.2801 -9.2801 -9.0595 -9.0595 -8.4534 -8.4534 -8.3425 -8.3425 -0.4108 -0.4108 0.6810 0.6810 1.0845 1.0845 1.1989 1.1989 1.3284 1.3284 1.5069 1.5069 1.6885 1.6885 1.9450 1.9450 2.1019 2.1019 2.1542 2.1542 2.2759 2.2759 2.4667 2.4667 3.1084 3.1084 3.5101 3.5101 3.7376 3.7376 4.2249 4.2249 4.8712 4.8712 5.4960 5.4960 5.8718 5.8718 6.3982 6.3982 6.4729 6.4729 6.6030 6.6030 6.8371 6.8371 6.9027 6.9027 7.5079 7.5079 7.5415 7.5415 7.6404 7.6404 7.8379 7.8379 11.3005 11.3005 13.7732 13.7732 14.5832 14.5832 14.8194 14.8194 16.1921 16.1921 16.9564 16.9564 17.5522 17.5522 k = 0.2763-0.2134-0.1432 ( 4120 PWs) bands (ev): -11.1247 -11.1247 -9.6503 -9.6503 -9.2849 -9.2849 -9.0502 -9.0502 -8.4620 -8.4620 -8.3415 -8.3415 -0.3731 -0.3731 0.6866 0.6866 1.0778 1.0778 1.1951 1.1951 1.3250 1.3250 1.5030 1.5030 1.6928 1.6928 1.9422 1.9422 2.1051 2.1051 2.1539 2.1539 2.2806 2.2806 2.4851 2.4851 3.1004 3.1004 3.5306 3.5306 3.7485 3.7485 4.2342 4.2342 4.8971 4.8971 5.4143 5.4143 5.8483 5.8483 6.4009 6.4009 6.4498 6.4498 6.6051 6.6051 6.8179 6.8179 6.9118 6.9118 7.4952 7.4952 7.5335 7.5335 7.6441 7.6441 7.8347 7.8347 11.4131 11.4131 13.7666 13.7666 14.5533 14.5533 14.7639 14.7639 16.2029 16.2029 16.9778 16.9778 17.5100 17.5100 k = 0.2895-0.2236-0.1500 ( 4124 PWs) bands (ev): -11.0984 -11.0984 -9.6872 -9.6872 -9.2895 -9.2895 -9.0408 -9.0408 -8.4708 -8.4708 -8.3406 -8.3406 -0.3356 -0.3356 0.6923 0.6923 1.0713 1.0713 1.1905 1.1905 1.3223 1.3223 1.4995 1.4995 1.6975 1.6975 1.9391 1.9391 2.1077 2.1077 2.1539 2.1539 2.2852 2.2852 2.5032 2.5032 3.0944 3.0944 3.5513 3.5513 3.7577 3.7577 4.2459 4.2459 4.9203 4.9203 5.3348 5.3348 5.8260 5.8260 6.3558 6.3558 6.4632 6.4632 6.6116 6.6116 6.7976 6.7976 6.9287 6.9287 7.4828 7.4828 7.5254 7.5254 7.6482 7.6482 7.8308 7.8308 11.5257 11.5257 13.7590 13.7590 14.5223 14.5223 14.7052 14.7052 16.2147 16.2147 17.0063 17.0063 17.4647 17.4647 k = 0.3026-0.2337-0.1568 ( 4112 PWs) bands (ev): -11.0713 -11.0713 -9.7247 -9.7247 -9.2940 -9.2940 -9.0313 -9.0313 -8.4798 -8.4798 -8.3397 -8.3397 -0.2986 -0.2986 0.6979 0.6979 1.0652 1.0652 1.1853 1.1853 1.3207 1.3207 1.4962 1.4962 1.7025 1.7025 1.9358 1.9358 2.1097 2.1097 2.1544 2.1544 2.2899 2.2899 2.5209 2.5209 3.0902 3.0902 3.5719 3.5719 3.7656 3.7656 4.2592 4.2592 4.9399 4.9399 5.2587 5.2587 5.8065 5.8065 6.3018 6.3018 6.4742 6.4742 6.6195 6.6195 6.7823 6.7823 6.9494 6.9494 7.4712 7.4712 7.5172 7.5172 7.6526 7.6526 7.8263 7.8263 11.6380 11.6380 13.7506 13.7506 14.4892 14.4892 14.6458 14.6458 16.2265 16.2265 17.0398 17.0398 17.4200 17.4200 k = 0.3158-0.2439-0.1636 ( 4118 PWs) bands (ev): -11.0437 -11.0437 -9.7624 -9.7624 -9.2984 -9.2984 -9.0218 -9.0218 -8.4888 -8.4888 -8.3389 -8.3389 -0.2623 -0.2623 0.7034 0.7034 1.0593 1.0593 1.1792 1.1792 1.3202 1.3202 1.4931 1.4931 1.7077 1.7077 1.9321 1.9321 2.1109 2.1109 2.1553 2.1553 2.2943 2.2943 2.5381 2.5381 3.0879 3.0879 3.5917 3.5917 3.7725 3.7725 4.2731 4.2731 4.9550 4.9550 5.1873 5.1873 5.7912 5.7912 6.2467 6.2467 6.4763 6.4763 6.6222 6.6222 6.7783 6.7783 6.9718 6.9718 7.4605 7.4605 7.5088 7.5088 7.6573 7.6573 7.8212 7.8212 11.7501 11.7501 13.7413 13.7413 14.4516 14.4516 14.5887 14.5887 16.2381 16.2381 17.0737 17.0737 17.3810 17.3810 k = 0.3289-0.2541-0.1704 ( 4119 PWs) bands (ev): -11.0154 -11.0154 -9.8002 -9.8002 -9.3026 -9.3026 -9.0123 -9.0123 -8.4979 -8.4979 -8.3381 -8.3381 -0.2269 -0.2269 0.7088 0.7088 1.0539 1.0539 1.1725 1.1725 1.3209 1.3209 1.4901 1.4901 1.7132 1.7132 1.9279 1.9279 2.1114 2.1114 2.1570 2.1570 2.2985 2.2985 2.5549 2.5549 3.0875 3.0875 3.6104 3.6104 3.7790 3.7790 4.2866 4.2866 4.9646 4.9646 5.1217 5.1217 5.7813 5.7813 6.1926 6.1926 6.4706 6.4706 6.6135 6.6135 6.7900 6.7900 6.9946 6.9946 7.4509 7.4509 7.5003 7.5003 7.6621 7.6621 7.8157 7.8157 11.8616 11.8616 13.7311 13.7311 14.4064 14.4064 14.5381 14.5381 16.2494 16.2494 17.0982 17.0982 17.3577 17.3577 k = 0.3421-0.2642-0.1772 ( 4119 PWs) bands (ev): -10.9868 -10.9868 -9.8380 -9.8380 -9.3065 -9.3065 -9.0028 -9.0028 -8.5070 -8.5070 -8.3375 -8.3375 -0.1929 -0.1929 0.7138 0.7138 1.0489 1.0489 1.1654 1.1654 1.3228 1.3228 1.4872 1.4872 1.7192 1.7192 1.9232 1.9232 2.1113 2.1113 2.1592 2.1592 2.3024 2.3024 2.5712 2.5712 3.0887 3.0887 3.6272 3.6272 3.7854 3.7854 4.2991 4.2991 4.9676 4.9676 5.0637 5.0637 5.7774 5.7774 6.1406 6.1406 6.4591 6.4591 6.5941 6.5941 6.8143 6.8143 7.0168 7.0168 7.4425 7.4425 7.4918 7.4918 7.6671 7.6671 7.8096 7.8096 11.9725 11.9725 13.7200 13.7200 14.3514 14.3514 14.4969 14.4969 16.2607 16.2607 17.0996 17.0996 17.3631 17.3631 k = 0.3553-0.2744-0.1841 ( 4118 PWs) bands (ev): -10.9578 -10.9578 -9.8755 -9.8755 -9.3102 -9.3102 -8.9936 -8.9936 -8.5159 -8.5159 -8.3368 -8.3368 -0.1603 -0.1603 0.7185 0.7185 1.0444 1.0444 1.1580 1.1580 1.3259 1.3259 1.4842 1.4842 1.7254 1.7254 1.9181 1.9181 2.1106 2.1106 2.1617 2.1617 2.3061 2.3061 2.5870 2.5870 3.0915 3.0915 3.6412 3.6412 3.7918 3.7918 4.3103 4.3103 4.9607 4.9607 5.0171 5.0171 5.7798 5.7798 6.0920 6.0920 6.4431 6.4431 6.5681 6.5681 6.8455 6.8455 7.0379 7.0379 7.4352 7.4352 7.4835 7.4835 7.6720 7.6720 7.8032 7.8032 12.0827 12.0827 13.7077 13.7077 14.2883 14.2883 14.4643 14.4643 16.2725 16.2725 17.0747 17.0747 17.3998 17.3998 k = 0.3684-0.2846-0.1909 ( 4112 PWs) bands (ev): -10.9289 -10.9289 -9.9125 -9.9125 -9.3137 -9.3137 -8.9845 -8.9845 -8.5247 -8.5247 -8.3362 -8.3362 -0.1296 -0.1296 0.7227 0.7227 1.0404 1.0404 1.1507 1.1507 1.3299 1.3299 1.4811 1.4811 1.7321 1.7321 1.9125 1.9125 2.1097 2.1097 2.1646 2.1646 2.3095 2.3095 2.6024 2.6024 3.0959 3.0959 3.6516 3.6516 3.7986 3.7986 4.3202 4.3202 4.9374 4.9374 4.9888 4.9888 5.7880 5.7880 6.0479 6.0479 6.4236 6.4236 6.5388 6.5388 6.8793 6.8793 7.0576 7.0576 7.4288 7.4288 7.4758 7.4758 7.6770 7.6770 7.7965 7.7965 12.1920 12.1920 13.6940 13.6940 14.2204 14.2204 14.4377 14.4377 16.2854 16.2854 17.0334 17.0334 17.4573 17.4573 k = 0.3816-0.2947-0.1977 ( 4118 PWs) bands (ev): -10.9001 -10.9001 -9.9487 -9.9487 -9.3169 -9.3169 -8.9758 -8.9758 -8.5331 -8.5331 -8.3357 -8.3357 -0.1010 -0.1010 0.7264 0.7264 1.0370 1.0370 1.1434 1.1434 1.3347 1.3347 1.4777 1.4777 1.7392 1.7392 1.9063 1.9063 2.1084 2.1084 2.1674 2.1674 2.3125 2.3125 2.6171 2.6171 3.1017 3.1017 3.6574 3.6574 3.8059 3.8059 4.3294 4.3294 4.9041 4.9041 4.9730 4.9730 5.8011 5.8011 6.0094 6.0094 6.4014 6.4014 6.5078 6.5078 6.9132 6.9132 7.0758 7.0758 7.4224 7.4224 7.4693 7.4693 7.6817 7.6817 7.7897 7.7897 12.3002 12.3002 13.6782 13.6782 14.1507 14.1507 14.4152 14.4152 16.2997 16.2997 16.9845 16.9845 17.5261 17.5261 k = 0.3947-0.3049-0.2045 ( 4116 PWs) bands (ev): -10.8718 -10.8718 -9.9836 -9.9836 -9.3198 -9.3198 -8.9675 -8.9675 -8.5412 -8.5412 -8.3353 -8.3353 -0.0747 -0.0747 0.7295 0.7295 1.0342 1.0342 1.1366 1.1366 1.3401 1.3401 1.4742 1.4742 1.7467 1.7467 1.8997 1.8997 2.1071 2.1071 2.1703 2.1703 2.3153 2.3153 2.6313 2.6313 3.1087 3.1087 3.6580 3.6580 3.8138 3.8138 4.3386 4.3386 4.8715 4.8715 4.9591 4.9591 5.8170 5.8170 5.9784 5.9784 6.3771 6.3771 6.4761 6.4761 6.9454 6.9454 7.0931 7.0931 7.4153 7.4153 7.4646 7.4646 7.6863 7.6863 7.7828 7.7828 12.4073 12.4073 13.6593 13.6593 14.0815 14.0815 14.3958 14.3958 16.3160 16.3160 16.9324 16.9324 17.6010 17.6010 k = 0.4079-0.3150-0.2113 ( 4108 PWs) bands (ev): -10.8444 -10.8444 -10.0171 -10.0171 -9.3224 -9.3224 -8.9598 -8.9598 -8.5487 -8.5487 -8.3348 -8.3348 -0.0508 -0.0508 0.7321 0.7321 1.0321 1.0321 1.1301 1.1301 1.3460 1.3460 1.4704 1.4704 1.7546 1.7546 1.8927 1.8927 2.1058 2.1058 2.1731 2.1731 2.3178 2.3178 2.6447 2.6447 3.1168 3.1168 3.6530 3.6530 3.8224 3.8224 4.3487 4.3487 4.8425 4.8425 4.9444 4.9444 5.8325 5.8325 5.9574 5.9574 6.3516 6.3516 6.4443 6.4443 6.9744 6.9744 7.1101 7.1101 7.4067 7.4067 7.4623 7.4623 7.6906 7.6906 7.7762 7.7762 12.5131 12.5131 13.6358 13.6358 14.0154 14.0154 14.3790 14.3790 16.3345 16.3345 16.8793 16.8793 17.6791 17.6791 k = 0.4211-0.3252-0.2181 ( 4102 PWs) bands (ev): -10.8184 -10.8184 -10.0484 -10.0484 -9.3247 -9.3247 -8.9527 -8.9527 -8.5556 -8.5556 -8.3345 -8.3345 -0.0298 -0.0298 0.7342 0.7342 1.0305 1.0305 1.1243 1.1243 1.3521 1.3521 1.4665 1.4665 1.7628 1.7628 1.8854 1.8854 2.1046 2.1046 2.1756 2.1756 2.3200 2.3200 2.6570 2.6570 3.1259 3.1259 3.6430 3.6430 3.8315 3.8315 4.3601 4.3601 4.8172 4.8172 4.9287 4.9287 5.8430 5.8430 5.9504 5.9504 6.3257 6.3257 6.4127 6.4127 6.9990 6.9990 7.1279 7.1279 7.3963 7.3963 7.4622 7.4622 7.6944 7.6944 7.7698 7.7698 12.6173 12.6173 13.6053 13.6053 13.9552 13.9552 14.3645 14.3645 16.3556 16.3556 16.8264 16.8264 17.7585 17.7585 k = 0.4342-0.3354-0.2250 ( 4102 PWs) bands (ev): -10.7943 -10.7943 -10.0770 -10.0770 -9.3266 -9.3266 -8.9465 -8.9465 -8.5617 -8.5617 -8.3342 -8.3342 -0.0116 -0.0116 0.7358 0.7358 1.0294 1.0294 1.1192 1.1192 1.3582 1.3582 1.4624 1.4624 1.7712 1.7712 1.8777 1.8777 2.1034 2.1034 2.1778 2.1778 2.3218 2.3218 2.6682 2.6682 3.1355 3.1355 3.6292 3.6292 3.8405 3.8405 4.3728 4.3728 4.7956 4.7956 4.9125 4.9125 5.8457 5.8457 5.9586 5.9586 6.3004 6.3004 6.3817 6.3817 7.0184 7.0184 7.1469 7.1469 7.3842 7.3842 7.4636 7.4636 7.6978 7.6978 7.7640 7.7640 12.7198 12.7198 13.5652 13.5652 13.9041 13.9041 14.3522 14.3522 16.3795 16.3795 16.7745 16.7745 17.8375 17.8375 k = 0.4474-0.3455-0.2318 ( 4101 PWs) bands (ev): -10.7728 -10.7728 -10.1023 -10.1023 -9.3282 -9.3282 -8.9411 -8.9411 -8.5670 -8.5670 -8.3340 -8.3340 0.0035 0.0035 0.7369 0.7369 1.0287 1.0287 1.1148 1.1148 1.3640 1.3640 1.4584 1.4584 1.7796 1.7796 1.8699 1.8699 2.1025 2.1025 2.1796 2.1796 2.3234 2.3234 2.6778 2.6778 3.1452 3.1452 3.6135 3.6135 3.8490 3.8490 4.3861 4.3861 4.7777 4.7777 4.8964 4.8964 5.8436 5.8436 5.9774 5.9774 6.2769 6.2769 6.3521 6.3521 7.0326 7.0326 7.1670 7.1670 7.3709 7.3709 7.4660 7.4660 7.7006 7.7006 7.7589 7.7589 12.8202 12.8202 13.5138 13.5138 13.8642 13.8642 14.3421 14.3421 16.4062 16.4062 16.7240 16.7240 17.9144 17.9144 k = 0.4605-0.3557-0.2386 ( 4108 PWs) bands (ev): -10.7547 -10.7547 -10.1232 -10.1232 -9.3295 -9.3295 -8.9368 -8.9368 -8.5712 -8.5712 -8.3338 -8.3338 0.0153 0.0153 0.7376 0.7376 1.0283 1.0283 1.1112 1.1112 1.3692 1.3692 1.4546 1.4546 1.7878 1.7878 1.8622 1.8622 2.1016 2.1016 2.1811 2.1811 2.3246 2.3246 2.6856 2.6856 3.1542 3.1542 3.5979 3.5979 3.8563 3.8563 4.3988 4.3988 4.7636 4.7636 4.8816 4.8816 5.8407 5.8407 6.0001 6.0001 6.2564 6.2564 6.3249 6.3249 7.0424 7.0424 7.1871 7.1871 7.3572 7.3572 7.4685 7.4685 7.7027 7.7027 7.7547 7.7547 12.9181 12.9181 13.4515 13.4515 13.8356 13.8356 14.3342 14.3342 16.4359 16.4359 16.6755 16.6755 17.9872 17.9872 k = 0.4737-0.3659-0.2454 ( 4104 PWs) bands (ev): -10.7410 -10.7410 -10.1391 -10.1391 -9.3304 -9.3304 -8.9336 -8.9336 -8.5743 -8.5743 -8.3336 -8.3336 0.0239 0.0239 0.7382 0.7382 1.0281 1.0281 1.1086 1.1086 1.3734 1.3734 1.4515 1.4515 1.7951 1.7951 1.8552 1.8552 2.1010 2.1010 2.1821 2.1821 2.3255 2.3255 2.6914 2.6914 3.1617 3.1617 3.5847 3.5847 3.8620 3.8620 4.4095 4.4095 4.7536 4.7536 4.8694 4.8694 5.8387 5.8387 6.0217 6.0217 6.2400 6.2400 6.3020 6.3020 7.0485 7.0485 7.2054 7.2054 7.3441 7.3441 7.4707 7.4707 7.7042 7.7042 7.7517 7.7517 13.0124 13.0124 13.3807 13.3807 13.8171 13.8171 14.3285 14.3285 16.4685 16.4685 16.6292 16.6292 18.0526 18.0526 k = 0.4868-0.3760-0.2522 ( 4098 PWs) bands (ev): -10.7323 -10.7323 -10.1490 -10.1490 -9.3309 -9.3309 -8.9317 -8.9317 -8.5762 -8.5762 -8.3336 -8.3336 0.0291 0.0291 0.7384 0.7384 1.0281 1.0281 1.1071 1.1071 1.3762 1.3762 1.4494 1.4494 1.8008 1.8008 1.8499 1.8499 2.1007 2.1007 2.1828 2.1828 2.3261 2.3261 2.6950 2.6950 3.1668 3.1668 3.5758 3.5758 3.8656 3.8656 4.4166 4.4166 4.7476 4.7476 4.8612 4.8612 5.8377 5.8377 6.0377 6.0377 6.2292 6.2292 6.2863 6.2863 7.0519 7.0519 7.2190 7.2190 7.3339 7.3339 7.4722 7.4722 7.7051 7.7051 7.7499 7.7499 13.0994 13.0994 13.3071 13.3071 13.8069 13.8069 14.3251 14.3251 16.5038 16.5038 16.5856 16.5856 18.1041 18.1042 k = 0.5000-0.3862-0.2590 ( 4098 PWs) bands (ev): -10.7294 -10.7294 -10.1524 -10.1524 -9.3311 -9.3311 -8.9311 -8.9311 -8.5768 -8.5768 -8.3335 -8.3335 0.0308 0.0308 0.7385 0.7385 1.0281 1.0281 1.1065 1.1065 1.3772 1.3772 1.4486 1.4486 1.8029 1.8029 1.8478 1.8478 2.1006 2.1006 2.1830 2.1830 2.3262 2.3262 2.6963 2.6963 3.1686 3.1686 3.5726 3.5726 3.8669 3.8669 4.4191 4.4191 4.7456 4.7456 4.8583 4.8583 5.8374 5.8374 6.0437 6.0437 6.2253 6.2253 6.2806 6.2806 7.0530 7.0530 7.2243 7.2243 7.3299 7.3299 7.4727 7.4727 7.7053 7.7053 7.7492 7.7492 13.1511 13.1511 13.2596 13.2596 13.8036 13.8036 14.3240 14.3240 16.5349 16.5349 16.5518 16.5518 18.1263 18.1263 k = 0.5000-0.3862-0.2590 ( 4098 PWs) bands (ev): -10.7294 -10.7294 -10.1524 -10.1524 -9.3311 -9.3311 -8.9311 -8.9311 -8.5768 -8.5768 -8.3335 -8.3335 0.0308 0.0308 0.7385 0.7385 1.0281 1.0281 1.1065 1.1065 1.3772 1.3772 1.4486 1.4486 1.8029 1.8029 1.8478 1.8478 2.1006 2.1006 2.1830 2.1830 2.3262 2.3262 2.6963 2.6963 3.1686 3.1686 3.5726 3.5726 3.8669 3.8669 4.4191 4.4191 4.7456 4.7456 4.8583 4.8583 5.8374 5.8374 6.0437 6.0437 6.2253 6.2253 6.2806 6.2806 7.0530 7.0530 7.2243 7.2243 7.3299 7.3299 7.4727 7.4727 7.7053 7.7053 7.7492 7.7492 13.1511 13.1511 13.2596 13.2596 13.8036 13.8036 14.3240 14.3240 16.5349 16.5349 16.5518 16.5518 18.1263 18.1263 k = 0.5000-0.3760-0.2742 ( 4096 PWs) bands (ev): -10.7286 -10.7286 -10.1528 -10.1528 -9.3315 -9.3315 -8.9307 -8.9307 -8.5777 -8.5777 -8.3332 -8.3332 0.0312 0.0312 0.7384 0.7384 1.0288 1.0288 1.1065 1.1065 1.3734 1.3734 1.4529 1.4529 1.7997 1.7997 1.8520 1.8520 2.1004 2.1004 2.1834 2.1834 2.3261 2.3261 2.6959 2.6959 3.1669 3.1669 3.5746 3.5746 3.8678 3.8678 4.4188 4.4188 4.7429 4.7429 4.8585 4.8585 5.8334 5.8334 6.0410 6.0410 6.2267 6.2267 6.2856 6.2856 7.0522 7.0522 7.2249 7.2249 7.3296 7.3296 7.4734 7.4734 7.7047 7.7047 7.7498 7.7498 13.1515 13.1515 13.2605 13.2605 13.8035 13.8035 14.3237 14.3237 16.5086 16.5086 16.5764 16.5764 18.1267 18.1267 k = 0.5000-0.3659-0.2893 ( 4098 PWs) bands (ev): -10.7264 -10.7264 -10.1542 -10.1542 -9.3328 -9.3328 -8.9295 -8.9295 -8.5802 -8.5802 -8.3322 -8.3322 0.0325 0.0325 0.7380 0.7380 1.0306 1.0306 1.1063 1.1063 1.3641 1.3641 1.4633 1.4633 1.7921 1.7921 1.8621 1.8621 2.0996 2.0996 2.1845 2.1845 2.3257 2.3257 2.6950 2.6950 3.1621 3.1621 3.5804 3.5804 3.8707 3.8707 4.4177 4.4177 4.7353 4.7353 4.8588 4.8588 5.8211 5.8211 6.0345 6.0345 6.2306 6.2306 6.2994 6.2994 7.0500 7.0500 7.2268 7.2268 7.3290 7.3290 7.4753 7.4753 7.7029 7.7029 7.7513 7.7513 13.1528 13.1528 13.2632 13.2632 13.8032 13.8032 14.3231 14.3231 16.4739 16.4739 16.6061 16.6061 18.1254 18.1255 k = 0.5000-0.3557-0.3044 ( 4090 PWs) bands (ev): -10.7227 -10.7227 -10.1566 -10.1566 -9.3348 -9.3348 -8.9275 -8.9275 -8.5844 -8.5844 -8.3306 -8.3306 0.0346 0.0346 0.7372 0.7372 1.0339 1.0339 1.1061 1.1061 1.3526 1.3526 1.4768 1.4768 1.7835 1.7835 1.8750 1.8750 2.0987 2.0987 2.1863 2.1863 2.3250 2.3250 2.6934 2.6934 3.1547 3.1547 3.5895 3.5895 3.8753 3.8753 4.4161 4.4161 4.7230 4.7230 4.8590 4.8590 5.7998 5.7998 6.0276 6.0276 6.2367 6.2367 6.3196 6.3196 7.0466 7.0466 7.2295 7.2295 7.3281 7.3281 7.4784 7.4784 7.6999 7.6999 7.7539 7.7539 13.1550 13.1550 13.2677 13.2677 13.8028 13.8028 14.3220 14.3220 16.4375 16.4375 16.6343 16.6343 18.1119 18.1134 k = 0.5000-0.3456-0.3196 ( 4100 PWs) bands (ev): -10.7175 -10.7175 -10.1599 -10.1599 -9.3377 -9.3377 -8.9248 -8.9248 -8.5901 -8.5901 -8.3286 -8.3286 0.0375 0.0375 0.7356 0.7356 1.0383 1.0383 1.1059 1.1059 1.3408 1.3408 1.4914 1.4914 1.7749 1.7749 1.8888 1.8888 2.0978 2.0978 2.1886 2.1886 2.3240 2.3240 2.6909 2.6909 3.1455 3.1455 3.6014 3.6014 3.8814 3.8814 4.4139 4.4139 4.7070 4.7070 4.8590 4.8590 5.7694 5.7694 6.0228 6.0228 6.2449 6.2449 6.3435 6.3435 7.0424 7.0424 7.2327 7.2327 7.3271 7.3271 7.4823 7.4823 7.6956 7.6956 7.7575 7.7575 13.1582 13.1582 13.2740 13.2740 13.8022 13.8022 14.3204 14.3204 16.3999 16.3999 16.6607 16.6607 18.0768 18.0774 k = 0.5000-0.3354-0.3347 ( 4096 PWs) bands (ev): -10.7109 -10.7109 -10.1643 -10.1643 -9.3411 -9.3411 -8.9213 -8.9213 -8.5971 -8.5971 -8.3261 -8.3261 0.0412 0.0412 0.7332 0.7332 1.0440 1.0440 1.1060 1.1060 1.3298 1.3298 1.5062 1.5062 1.7670 1.7670 1.9025 1.9025 2.0974 2.0974 2.1914 2.1914 2.3230 2.3230 2.6878 2.6878 3.1356 3.1356 3.6153 3.6153 3.8890 3.8890 4.4113 4.4113 4.6877 4.6877 4.8586 4.8586 5.7309 5.7309 6.0208 6.0208 6.2548 6.2548 6.3694 6.3694 7.0380 7.0380 7.2358 7.2358 7.3263 7.3263 7.4867 7.4867 7.6902 7.6902 7.7620 7.7620 13.1625 13.1625 13.2820 13.2820 13.8016 13.8016 14.3183 14.3183 16.3614 16.3614 16.6854 16.6854 18.0292 18.0293 k = 0.5000-0.3253-0.3499 ( 4096 PWs) bands (ev): -10.7028 -10.7028 -10.1697 -10.1697 -9.3452 -9.3452 -8.9170 -8.9170 -8.6055 -8.6055 -8.3234 -8.3234 0.0457 0.0457 0.7295 0.7295 1.0508 1.0508 1.1066 1.1066 1.3201 1.3201 1.5204 1.5204 1.7600 1.7600 1.9154 1.9154 2.0981 2.0981 2.1946 2.1946 2.3220 2.3220 2.6838 2.6838 3.1258 3.1258 3.6306 3.6306 3.8976 3.8976 4.4083 4.4083 4.6658 4.6658 4.8580 4.8580 5.6856 5.6856 6.0210 6.0210 6.2664 6.2664 6.3960 6.3960 7.0336 7.0336 7.2384 7.2384 7.3261 7.3261 7.4914 7.4914 7.6835 7.6835 7.7675 7.7675 13.1679 13.1679 13.2916 13.2916 13.8011 13.8011 14.3159 14.3159 16.3224 16.3224 16.7083 16.7083 17.9766 17.9766 k = 0.5000-0.3151-0.3650 ( 4100 PWs) bands (ev): -10.6932 -10.6932 -10.1762 -10.1762 -9.3498 -9.3498 -8.9119 -8.9119 -8.6150 -8.6150 -8.3206 -8.3206 0.0510 0.0510 0.7242 0.7242 1.0582 1.0582 1.1084 1.1084 1.3120 1.3120 1.5337 1.5337 1.7540 1.7540 1.9265 1.9265 2.1001 2.1001 2.1981 2.1981 2.3214 2.3214 2.6789 2.6789 3.1168 3.1168 3.6470 3.6470 3.9070 3.9070 4.4051 4.4051 4.6420 4.6420 4.8570 4.8570 5.6353 5.6353 6.0226 6.0226 6.2793 6.2793 6.4228 6.4228 7.0296 7.0296 7.2398 7.2398 7.3267 7.3267 7.4960 7.4960 7.6757 7.6757 7.7738 7.7738 13.1745 13.1745 13.3028 13.3028 13.8005 13.8005 14.3130 14.3130 16.2829 16.2829 16.7295 16.7295 17.9212 17.9212 k = 0.5000-0.3050-0.3801 ( 4104 PWs) bands (ev): -10.6822 -10.6822 -10.1839 -10.1839 -9.3548 -9.3548 -8.9062 -8.9062 -8.6255 -8.6255 -8.3177 -8.3177 0.0571 0.0571 0.7171 0.7171 1.0652 1.0652 1.1123 1.1123 1.3059 1.3059 1.5460 1.5460 1.7489 1.7489 1.9353 1.9353 2.1037 2.1037 2.2018 2.2018 2.3213 2.3213 2.6733 2.6733 3.1094 3.1094 3.6639 3.6639 3.9169 3.9169 4.4018 4.4018 4.6169 4.6169 4.8560 4.8560 5.5811 5.5811 6.0243 6.0243 6.2934 6.2934 6.4494 6.4494 7.0263 7.0263 7.2396 7.2396 7.3283 7.3283 7.5005 7.5005 7.6666 7.6666 7.7808 7.7808 13.1825 13.1825 13.3157 13.3157 13.8002 13.8002 14.3097 14.3097 16.2434 16.2434 16.7491 16.7491 17.8643 17.8643 k = 0.5000-0.2948-0.3953 ( 4108 PWs) bands (ev): -10.6698 -10.6698 -10.1927 -10.1927 -9.3601 -9.3601 -8.8996 -8.8996 -8.6370 -8.6370 -8.3149 -8.3149 0.0638 0.0638 0.7079 0.7079 1.0707 1.0707 1.1195 1.1195 1.3018 1.3018 1.5569 1.5569 1.7449 1.7449 1.9414 1.9414 2.1088 2.1088 2.2056 2.2056 2.3225 2.3225 2.6669 2.6669 3.1039 3.1039 3.6810 3.6810 3.9271 3.9271 4.3983 4.3983 4.5909 4.5909 4.8549 4.8549 5.5244 5.5244 6.0254 6.0254 6.3084 6.3084 6.4755 6.4755 7.0237 7.0237 7.2374 7.2374 7.3312 7.3312 7.5046 7.5046 7.6564 7.6564 7.7883 7.7883 13.1918 13.1918 13.3302 13.3302 13.8001 13.8001 14.3060 14.3060 16.2041 16.2041 16.7669 16.7669 17.8067 17.8067 k = 0.5000-0.2847-0.4104 ( 4106 PWs) bands (ev): -10.6559 -10.6559 -10.2029 -10.2029 -9.3655 -9.3655 -8.8924 -8.8924 -8.6492 -8.6492 -8.3122 -8.3122 0.0713 0.0713 0.6965 0.6965 1.0742 1.0742 1.1305 1.1305 1.2998 1.2998 1.5664 1.5664 1.7418 1.7418 1.9449 1.9449 2.1147 2.1147 2.2093 2.2093 2.3253 2.3253 2.6601 2.6601 3.1008 3.1008 3.6982 3.6982 3.9374 3.9374 4.3944 4.3944 4.5648 4.5648 4.8539 4.8539 5.4661 5.4661 6.0250 6.0250 6.3242 6.3242 6.5010 6.5010 7.0218 7.0218 7.2332 7.2332 7.3353 7.3353 7.5084 7.5084 7.6451 7.6451 7.7963 7.7963 13.2025 13.2025 13.3464 13.3464 13.8004 13.8004 14.3019 14.3019 16.1651 16.1651 16.7831 16.7831 17.7490 17.7490 k = 0.5000-0.2745-0.4255 ( 4106 PWs) bands (ev): -10.6407 -10.6407 -10.2143 -10.2143 -9.3709 -9.3709 -8.8845 -8.8845 -8.6622 -8.6622 -8.3096 -8.3096 0.0795 0.0795 0.6829 0.6829 1.0760 1.0760 1.1447 1.1447 1.3000 1.3000 1.5745 1.5745 1.7394 1.7394 1.9463 1.9463 2.1207 2.1207 2.2126 2.2126 2.3305 2.3305 2.6532 2.6532 3.1001 3.1001 3.7151 3.7151 3.9479 3.9479 4.3898 4.3898 4.5392 4.5392 4.8529 4.8529 5.4075 5.4075 6.0228 6.0228 6.3404 6.3404 6.5259 6.5259 7.0208 7.0208 7.2269 7.2269 7.3404 7.3404 7.5117 7.5117 7.6327 7.6327 7.8045 7.8045 13.2145 13.2145 13.3642 13.3642 13.8012 13.8012 14.2976 14.2976 16.1267 16.1267 16.7974 16.7974 17.6917 17.6917 k = 0.5000-0.2644-0.4407 ( 4106 PWs) bands (ev): -10.6241 -10.6241 -10.2271 -10.2271 -9.3762 -9.3762 -8.8759 -8.8759 -8.6759 -8.6759 -8.3073 -8.3073 0.0883 0.0883 0.6672 0.6672 1.0766 1.0766 1.1612 1.1612 1.3024 1.3024 1.5812 1.5812 1.7374 1.7374 1.9462 1.9462 2.1258 2.1258 2.2151 2.2151 2.3383 2.3383 2.6466 2.6466 3.1018 3.1018 3.7316 3.7316 3.9586 3.9586 4.3838 4.3838 4.5148 4.5148 4.8518 4.8518 5.3496 5.3496 6.0184 6.0184 6.3569 6.3569 6.5500 6.5500 7.0204 7.0204 7.2184 7.2184 7.3462 7.3462 7.5143 7.5143 7.6196 7.6196 7.8127 7.8127 13.2279 13.2279 13.3838 13.3838 13.8025 13.8025 14.2930 14.2930 16.0890 16.0890 16.8098 16.8098 17.6355 17.6355 k = 0.5000-0.2542-0.4558 ( 4102 PWs) bands (ev): -10.6062 -10.6062 -10.2413 -10.2413 -9.3813 -9.3813 -8.8667 -8.8667 -8.6902 -8.6902 -8.3052 -8.3052 0.0978 0.0978 0.6493 0.6493 1.0765 1.0765 1.1790 1.1790 1.3069 1.3069 1.5865 1.5865 1.7357 1.7357 1.9454 1.9454 2.1296 2.1296 2.2170 2.2170 2.3487 2.3487 2.6408 2.6408 3.1058 3.1058 3.7474 3.7474 3.9700 3.9700 4.3757 4.3757 4.4924 4.4924 4.8503 4.8503 5.2938 5.2938 6.0117 6.0117 6.3734 6.3734 6.5733 6.5733 7.0205 7.0205 7.2079 7.2079 7.3526 7.3526 7.5159 7.5159 7.6063 7.6063 7.8209 7.8209 13.2425 13.2425 13.4051 13.4051 13.8044 13.8044 14.2883 14.2883 16.0521 16.0521 16.8199 16.8199 17.5810 17.5810 k = 0.5000-0.2441-0.4709 ( 4118 PWs) bands (ev): -10.5869 -10.5869 -10.2569 -10.2569 -9.3861 -9.3861 -8.8568 -8.8568 -8.7051 -8.7051 -8.3034 -8.3034 0.1079 0.1079 0.6294 0.6294 1.0759 1.0759 1.1972 1.1972 1.3134 1.3134 1.5906 1.5906 1.7336 1.7336 1.9445 1.9445 2.1313 2.1313 2.2184 2.2184 2.3610 2.3610 2.6364 2.6364 3.1119 3.1119 3.7622 3.7622 3.9823 3.9823 4.3645 4.3645 4.4727 4.4727 4.8478 4.8478 5.2416 5.2416 6.0025 6.0025 6.3897 6.3897 6.5957 6.5957 7.0210 7.0210 7.1954 7.1954 7.3592 7.3592 7.5156 7.5156 7.5936 7.5936 7.8289 7.8289 13.2582 13.2582 13.4282 13.4282 13.8070 13.8070 14.2834 14.2834 16.0161 16.0161 16.8274 16.8274 17.5287 17.5287 k = 0.5000-0.2339-0.4861 ( 4124 PWs) bands (ev): -10.5663 -10.5663 -10.2739 -10.2739 -9.3904 -9.3904 -8.8464 -8.8464 -8.7205 -8.7205 -8.3019 -8.3019 0.1185 0.1185 0.6077 0.6077 1.0752 1.0752 1.2154 1.2154 1.3220 1.3220 1.5937 1.5937 1.7310 1.7310 1.9440 1.9440 2.1312 2.1312 2.2197 2.2197 2.3741 2.3741 2.6342 2.6342 3.1199 3.1199 3.7758 3.7758 3.9958 3.9958 4.3498 4.3498 4.4556 4.4556 4.8438 4.8438 5.1949 5.1949 5.9911 5.9911 6.4056 6.4056 6.6171 6.6171 7.0217 7.0217 7.1810 7.1810 7.3658 7.3658 7.5119 7.5119 7.5832 7.5832 7.8366 7.8366 13.2748 13.2748 13.4531 13.4531 13.8105 13.8105 14.2785 14.2785 15.9809 15.9809 16.8318 16.8318 17.4796 17.4796 k = 0.5000-0.2238-0.5012 ( 4118 PWs) bands (ev): -10.5444 -10.5444 -10.2923 -10.2923 -9.3942 -9.3942 -8.8355 -8.8355 -8.7364 -8.7364 -8.3006 -8.3006 0.1298 0.1298 0.5845 0.5845 1.0743 1.0743 1.2330 1.2330 1.3324 1.3324 1.5961 1.5961 1.7275 1.7275 1.9445 1.9445 2.1293 2.1293 2.2216 2.2216 2.3869 2.3869 2.6349 2.6349 3.1295 3.1295 3.7881 3.7881 4.0107 4.0107 4.3321 4.3321 4.4401 4.4401 4.8378 4.8378 5.1555 5.1555 5.9774 5.9774 6.4209 6.4209 6.6373 6.6373 7.0224 7.0224 7.1648 7.1648 7.3723 7.3723 7.5032 7.5032 7.5767 7.5767 7.8439 7.8439 13.2922 13.2922 13.4798 13.4798 13.8149 13.8149 14.2738 14.2738 15.9467 15.9467 16.8328 16.8328 17.4342 17.4342 k = 0.5000-0.2136-0.5163 ( 4116 PWs) bands (ev): -10.5213 -10.5213 -10.3120 -10.3120 -9.3974 -9.3974 -8.8241 -8.8241 -8.7526 -8.7526 -8.2995 -8.2995 0.1415 0.1415 0.5597 0.5597 1.0733 1.0733 1.2496 1.2496 1.3441 1.3441 1.5979 1.5979 1.7230 1.7230 1.9458 1.9458 2.1257 2.1257 2.2243 2.2243 2.3983 2.3983 2.6391 2.6391 3.1405 3.1405 3.7991 3.7991 4.0268 4.0268 4.3123 4.3123 4.4247 4.4247 4.8299 4.8299 5.1249 5.1249 5.9618 5.9618 6.4354 6.4354 6.6561 6.6561 7.0230 7.0230 7.1471 7.1471 7.3785 7.3785 7.4894 7.4894 7.5743 7.5743 7.8508 7.8508 13.3101 13.3101 13.5081 13.5081 13.8204 13.8204 14.2692 14.2692 15.9134 15.9134 16.8299 16.8299 17.3933 17.3933 k = 0.5000-0.2035-0.5315 ( 4118 PWs) bands (ev): -10.4971 -10.4971 -10.3332 -10.3332 -9.3999 -9.3999 -8.8128 -8.8128 -8.7687 -8.7687 -8.2987 -8.2987 0.1536 0.1536 0.5337 0.5337 1.0723 1.0723 1.2649 1.2649 1.3565 1.3565 1.5994 1.5994 1.7174 1.7174 1.9479 1.9479 2.1209 2.1209 2.2281 2.2281 2.4072 2.4072 2.6472 2.6472 3.1526 3.1526 3.8087 3.8087 4.0434 4.0434 4.2918 4.2918 4.4079 4.4079 4.8211 4.8211 5.1037 5.1037 5.9443 5.9443 6.4490 6.4490 6.6734 6.6734 7.0230 7.0230 7.1283 7.1283 7.3841 7.3841 7.4718 7.4718 7.5748 7.5748 7.8572 7.8572 13.3283 13.3283 13.5381 13.5381 13.8271 13.8271 14.2651 14.2651 15.8809 15.8809 16.8227 16.8227 17.3575 17.3575 k = 0.5000-0.1933-0.5466 ( 4120 PWs) bands (ev): -10.4716 -10.4716 -10.3555 -10.3555 -9.4017 -9.4017 -8.8041 -8.8041 -8.7821 -8.7821 -8.2981 -8.2981 0.1659 0.1659 0.5067 0.5067 1.0714 1.0714 1.2789 1.2789 1.3690 1.3690 1.6007 1.6007 1.7110 1.7110 1.9507 1.9507 2.1153 2.1153 2.2330 2.2330 2.4134 2.4134 2.6591 2.6591 3.1659 3.1659 3.8172 3.8172 4.0587 4.0587 4.2722 4.2722 4.3889 4.3889 4.8132 4.8132 5.0912 5.0912 5.9252 5.9252 6.4616 6.4616 6.6888 6.6888 7.0220 7.0220 7.1092 7.1092 7.3885 7.3885 7.4522 7.4522 7.5770 7.5770 7.8630 7.8630 13.3465 13.3465 13.5694 13.5694 13.8352 13.8352 14.2615 14.2615 15.8492 15.8492 16.8112 16.8112 17.3271 17.3271 k = 0.5000-0.1831-0.5617 ( 4122 PWs) bands (ev): -10.4452 -10.4452 -10.3790 -10.3790 -9.4029 -9.4029 -8.8105 -8.8105 -8.7804 -8.7804 -8.2977 -8.2977 0.1782 0.1782 0.4790 0.4790 1.0705 1.0705 1.2916 1.2916 1.3808 1.3808 1.6019 1.6019 1.7042 1.7042 1.9536 1.9536 2.1095 2.1095 2.2392 2.2392 2.4168 2.4168 2.6745 2.6745 3.1802 3.1802 3.8247 3.8247 4.0698 4.0698 4.2557 4.2557 4.3681 4.3681 4.8085 4.8085 5.0859 5.0859 5.9048 5.9048 6.4731 6.4731 6.7019 6.7019 7.0188 7.0188 7.0912 7.0912 7.3903 7.3903 7.4330 7.4330 7.5798 7.5798 7.8681 7.8681 13.3644 13.3644 13.6017 13.6017 13.8448 13.8448 14.2586 14.2586 15.8182 15.8182 16.7958 16.7958 17.3022 17.3022 k = 0.5000-0.1730-0.5769 ( 4124 PWs) bands (ev): -10.4189 -10.4189 -10.4023 -10.4023 -9.4033 -9.4033 -8.8268 -8.8268 -8.7687 -8.7687 -8.2975 -8.2975 0.1902 0.1902 0.4511 0.4511 1.0698 1.0698 1.3030 1.3030 1.3913 1.3913 1.6031 1.6031 1.6975 1.6975 1.9563 1.9563 2.1038 2.1038 2.2464 2.2464 2.4180 2.4180 2.6924 2.6924 3.1956 3.1956 3.8312 3.8312 4.0719 4.0719 4.2457 4.2457 4.3471 4.3471 4.8090 4.8090 5.0861 5.0861 5.8831 5.8831 6.4833 6.4833 6.7122 6.7122 7.0120 7.0120 7.0764 7.0764 7.3849 7.3849 7.4197 7.4197 7.5827 7.5827 7.8725 7.8725 13.3814 13.3814 13.6347 13.6347 13.8563 13.8563 14.2568 14.2568 15.7878 15.7878 16.7771 16.7771 17.2823 17.2823 k = 0.5000-0.1628-0.5920 ( 4122 PWs) bands (ev): -10.4307 -10.4307 -10.3875 -10.3875 -9.4031 -9.4031 -8.8450 -8.8450 -8.7551 -8.7551 -8.2974 -8.2974 0.2010 0.2010 0.4238 0.4238 1.0694 1.0694 1.3129 1.3129 1.4000 1.4000 1.6041 1.6041 1.6916 1.6916 1.9582 1.9582 2.0986 2.0986 2.2546 2.2546 2.4173 2.4173 2.7120 2.7120 3.2123 3.2123 3.8365 3.8365 4.0609 4.0609 4.2446 4.2446 4.3286 4.3286 4.8158 4.8158 5.0901 5.0901 5.8604 5.8604 6.4921 6.4921 6.7191 6.7191 7.0003 7.0003 7.0665 7.0665 7.3687 7.3687 7.4162 7.4162 7.5854 7.5854 7.8758 7.8758 13.3973 13.3973 13.6679 13.6679 13.8697 13.8697 14.2564 14.2564 15.7580 15.7580 16.7560 16.7560 17.2670 17.2670 k = 0.5000-0.1527-0.6071 ( 4120 PWs) bands (ev): -10.4571 -10.4571 -10.3581 -10.3581 -9.4022 -9.4022 -8.8639 -8.8639 -8.7408 -8.7408 -8.2975 -8.2975 0.2096 0.2096 0.3985 0.3985 1.0692 1.0692 1.3210 1.3210 1.4067 1.4067 1.6048 1.6048 1.6870 1.6870 1.9592 1.9592 2.0942 2.0942 2.2634 2.2634 2.4154 2.4154 2.7323 2.7323 3.2306 3.2306 3.8400 3.8400 4.0372 4.0372 4.2495 4.2495 4.3166 4.3166 4.8293 4.8293 5.0968 5.0968 5.8369 5.8369 6.4994 6.4994 6.7220 6.7220 6.9850 6.9850 7.0611 7.0611 7.3479 7.3479 7.4171 7.4171 7.5875 7.5875 7.8781 7.8781 13.4115 13.4115 13.7008 13.7008 13.8853 13.8853 14.2576 14.2576 15.7288 15.7288 16.7337 16.7337 17.2553 17.2553 k = 0.5000-0.1425-0.6223 ( 4118 PWs) bands (ev): -10.4846 -10.4846 -10.3274 -10.3274 -9.4006 -9.4006 -8.8833 -8.8833 -8.7260 -8.7260 -8.2976 -8.2976 0.2134 0.2134 0.3775 0.3775 1.0694 1.0694 1.3271 1.3271 1.4114 1.4114 1.6049 1.6049 1.6844 1.6844 1.9590 1.9590 2.0908 2.0908 2.2726 2.2726 2.4126 2.4126 2.7524 2.7524 3.2507 3.2507 3.8402 3.8402 4.0059 4.0059 4.2529 4.2529 4.3165 4.3165 4.8497 4.8497 5.1052 5.1052 5.8127 5.8127 6.5048 6.5048 6.7203 6.7203 6.9686 6.9686 7.0583 7.0583 7.3266 7.3266 7.4189 7.4189 7.5891 7.5891 7.8789 7.8789 13.4234 13.4234 13.7329 13.7329 13.9029 13.9029 14.2610 14.2610 15.7003 15.7003 16.7114 16.7114 17.2466 17.2466 k = 0.5000-0.1324-0.6374 ( 4118 PWs) bands (ev): -10.5129 -10.5129 -10.2957 -10.2957 -9.3984 -9.3984 -8.9030 -8.9030 -8.7109 -8.7109 -8.2978 -8.2978 0.2095 0.2095 0.3640 0.3640 1.0699 1.0699 1.3307 1.3307 1.4142 1.4142 1.6044 1.6044 1.6840 1.6840 1.9577 1.9577 2.0884 2.0884 2.2817 2.2817 2.4093 2.4093 2.7716 2.7716 3.2727 3.2727 3.8336 3.8336 3.9743 3.9743 4.2511 4.2511 4.3287 4.3287 4.8768 4.8768 5.1144 5.1144 5.7880 5.7880 6.5080 6.5080 6.7140 6.7140 6.9532 6.9532 7.0565 7.0565 7.3065 7.3065 7.4204 7.4204 7.5900 7.5900 7.8782 7.8782 13.4327 13.4327 13.7636 13.7636 13.9224 13.9224 14.2670 14.2670 15.6726 15.6726 16.6899 16.6899 17.2402 17.2402 k = 0.5000-0.1222-0.6526 ( 4116 PWs) bands (ev): -10.5418 -10.5418 -10.2632 -10.2632 -9.3956 -9.3956 -8.9230 -8.9230 -8.6954 -8.6954 -8.2981 -8.2981 0.1955 0.1955 0.3603 0.3603 1.0708 1.0708 1.3315 1.3315 1.4155 1.4155 1.6035 1.6035 1.6857 1.6857 1.9553 1.9553 2.0869 2.0869 2.2903 2.2903 2.4058 2.4058 2.7893 2.7893 3.2967 3.2967 3.8150 3.8150 3.9507 3.9507 4.2477 4.2477 4.3478 4.3478 4.9102 4.9102 5.1240 5.1240 5.7629 5.7629 6.5080 6.5080 6.7039 6.7039 6.9393 6.9393 7.0549 7.0549 7.2888 7.2888 7.4212 7.4212 7.5902 7.5902 7.8758 7.8758 13.4389 13.4389 13.7925 13.7925 13.9437 13.9437 14.2763 14.2763 15.6460 15.6460 16.6703 16.6703 17.2356 17.2356 k = 0.5000-0.1121-0.6677 ( 4124 PWs) bands (ev): -10.5712 -10.5712 -10.2298 -10.2298 -9.3923 -9.3923 -8.9433 -8.9433 -8.6796 -8.6796 -8.2984 -8.2984 0.1724 0.1724 0.3656 0.3656 1.0721 1.0721 1.3294 1.3294 1.4156 1.4156 1.6024 1.6024 1.6890 1.6890 1.9521 1.9521 2.0863 2.0863 2.2978 2.2978 2.4021 2.4021 2.8049 2.8049 3.3225 3.3225 3.7820 3.7820 3.9399 3.9399 4.2459 4.2459 4.3692 4.3692 4.9497 4.9497 5.1336 5.1336 5.7376 5.7376 6.5037 6.5037 6.6921 6.6921 6.9266 6.9266 7.0533 7.0533 7.2743 7.2743 7.4212 7.4212 7.5898 7.5898 7.8714 7.8714 13.4417 13.4417 13.8184 13.8184 13.9665 13.9665 14.2891 14.2891 15.6208 15.6208 16.6531 16.6531 17.2325 17.2325 k = 0.5000-0.1019-0.6828 ( 4118 PWs) bands (ev): -10.6010 -10.6010 -10.1957 -10.1957 -9.3886 -9.3886 -8.9637 -8.9637 -8.6636 -8.6636 -8.2987 -8.2987 0.1429 0.1429 0.3773 0.3773 1.0739 1.0739 1.3245 1.3245 1.4148 1.4148 1.6015 1.6015 1.6936 1.6936 1.9485 1.9485 2.0866 2.0866 2.3039 2.3039 2.3986 2.3986 2.8186 2.8186 3.3496 3.3496 3.7389 3.7389 3.9393 3.9393 4.2468 4.2468 4.3910 4.3910 4.9943 4.9943 5.1430 5.1430 5.7121 5.7121 6.4938 6.4938 6.6813 6.6813 6.9139 6.9139 7.0518 7.0518 7.2635 7.2635 7.4203 7.4203 7.5888 7.5888 7.8648 7.8648 13.4408 13.4408 13.8404 13.8404 13.9913 13.9913 14.3058 14.3058 15.5975 15.5975 16.6389 16.6389 17.2307 17.2307 k = 0.7750 0.0332-0.3534 ( 4118 PWs) bands (ev): -10.6010 -10.6010 -10.1957 -10.1957 -9.3886 -9.3886 -8.9638 -8.9638 -8.6636 -8.6636 -8.2987 -8.2987 0.1429 0.1429 0.3773 0.3773 1.0739 1.0739 1.3245 1.3245 1.4147 1.4147 1.6015 1.6015 1.6936 1.6936 1.9485 1.9485 2.0866 2.0866 2.3038 2.3038 2.3986 2.3986 2.8186 2.8186 3.3496 3.3496 3.7389 3.7389 3.9393 3.9393 4.2468 4.2468 4.3909 4.3909 4.9943 4.9943 5.1430 5.1430 5.7121 5.7121 6.4938 6.4938 6.6814 6.6814 6.9138 6.9138 7.0518 7.0518 7.2635 7.2635 7.4204 7.4204 7.5887 7.5887 7.8648 7.8648 13.4408 13.4408 13.8404 13.8404 13.9912 13.9912 14.3058 14.3058 15.5975 15.5975 16.6389 16.6389 17.2307 17.2307 k = 0.7669 0.0394-0.3381 ( 4112 PWs) bands (ev): -10.6312 -10.6312 -10.1607 -10.1607 -9.3844 -9.3844 -8.9845 -8.9845 -8.6474 -8.6474 -8.2990 -8.2990 0.1090 0.1090 0.3933 0.3933 1.0762 1.0762 1.3168 1.3168 1.4132 1.4132 1.6009 1.6009 1.6988 1.6988 1.9446 1.9446 2.0875 2.0875 2.3081 2.3081 2.3953 2.3953 2.8301 2.8301 3.3774 3.3774 3.6913 3.6913 3.9449 3.9449 4.2510 4.2510 4.4124 4.4124 5.0429 5.0429 5.1530 5.1530 5.6865 5.6865 6.4772 6.4772 6.6741 6.6741 6.8995 6.8995 7.0510 7.0510 7.2564 7.2564 7.4184 7.4184 7.5872 7.5872 7.8559 7.8559 13.4362 13.4362 13.8569 13.8569 14.0187 14.0187 14.3263 14.3263 15.5765 15.5765 16.6280 16.6280 17.2300 17.2300 k = 0.7589 0.0457-0.3229 ( 4108 PWs) bands (ev): -10.6616 -10.6616 -10.1251 -10.1251 -9.3799 -9.3799 -9.0053 -9.0053 -8.6310 -8.6310 -8.2994 -8.2994 0.0724 0.0724 0.4119 0.4119 1.0788 1.0788 1.3068 1.3068 1.4109 1.4109 1.6008 1.6008 1.7042 1.7042 1.9407 1.9407 2.0889 2.0889 2.3101 2.3101 2.3921 2.3921 2.8396 2.8396 3.4044 3.4044 3.6433 3.6433 3.9541 3.9541 4.2586 4.2586 4.4332 4.4332 5.0910 5.0910 5.1667 5.1667 5.6609 5.6609 6.4543 6.4543 6.6716 6.6716 6.8827 6.8827 7.0515 7.0515 7.2528 7.2528 7.4151 7.4151 7.5852 7.5852 7.8447 7.8447 13.4279 13.4279 13.8666 13.8666 14.0493 14.0493 14.3500 14.3500 15.5587 15.5587 16.6209 16.6209 17.2305 17.2305 k = 0.7508 0.0519-0.3076 ( 4110 PWs) bands (ev): -10.6921 -10.6921 -10.0889 -10.0889 -9.3750 -9.3750 -9.0261 -9.0261 -8.6145 -8.6145 -8.2997 -8.2997 0.0340 0.0340 0.4325 0.4325 1.0818 1.0818 1.2950 1.2950 1.4080 1.4080 1.6010 1.6010 1.7093 1.7093 1.9369 1.9369 2.0907 2.0907 2.3097 2.3097 2.3892 2.3892 2.8472 2.8472 3.4281 3.4281 3.5988 3.5988 3.9657 3.9657 4.2697 4.2697 4.4536 4.4536 5.1257 5.1257 5.1957 5.1957 5.6357 5.6357 6.4265 6.4265 6.6740 6.6740 6.8631 6.8631 7.0538 7.0538 7.2522 7.2522 7.4107 7.4107 7.5827 7.5827 7.8309 7.8309 13.4159 13.4159 13.8686 13.8686 14.0834 14.0834 14.3762 14.3762 15.5449 15.5449 16.6176 16.6176 17.2323 17.2323 k = 0.7427 0.0581-0.2924 ( 4108 PWs) bands (ev): -10.7225 -10.7225 -10.0522 -10.0522 -9.3700 -9.3700 -9.0469 -9.0469 -8.5981 -8.5981 -8.3000 -8.3000 -0.0057 -0.0057 0.4546 0.4546 1.0851 1.0851 1.2818 1.2818 1.4045 1.4045 1.6015 1.6015 1.7140 1.7140 1.9334 1.9334 2.0928 2.0928 2.3069 2.3069 2.3864 2.3864 2.8532 2.8532 3.4427 3.4427 3.5641 3.5641 3.9789 3.9789 4.2838 4.2838 4.4740 4.4740 5.1391 5.1391 5.2471 5.2471 5.6108 5.6108 6.3959 6.3959 6.6807 6.6807 6.8409 6.8409 7.0579 7.0579 7.2539 7.2539 7.4050 7.4050 7.5800 7.5800 7.8146 7.8146 13.4005 13.4005 13.8630 13.8630 14.1206 14.1206 14.4037 14.4037 15.5359 15.5359 16.6182 16.6182 17.2354 17.2354 k = 0.7346 0.0644-0.2772 ( 4108 PWs) bands (ev): -10.7527 -10.7527 -10.0152 -10.0152 -9.3647 -9.3647 -9.0676 -9.0676 -8.5816 -8.5816 -8.3003 -8.3003 -0.0463 -0.0463 0.4778 0.4778 1.0887 1.0887 1.2676 1.2676 1.4007 1.4007 1.6021 1.6021 1.7181 1.7181 1.9303 1.9303 2.0950 2.0950 2.3019 2.3019 2.3835 2.3835 2.8580 2.8580 3.4368 3.4368 3.5508 3.5508 3.9930 3.9930 4.3006 4.3006 4.4951 4.4951 5.1417 5.1417 5.3091 5.3091 5.5864 5.5864 6.3643 6.3643 6.6907 6.6907 6.8169 6.8169 7.0636 7.0636 7.2571 7.2571 7.3980 7.3980 7.5769 7.5769 7.7960 7.7960 13.3819 13.3819 13.8501 13.8501 14.1601 14.1601 14.4319 14.4319 15.5324 15.5324 16.6228 16.6228 17.2401 17.2401 k = 0.7265 0.0706-0.2619 ( 4108 PWs) bands (ev): -10.7827 -10.7827 -9.9779 -9.9779 -9.3593 -9.3593 -9.0880 -9.0880 -8.5653 -8.5653 -8.3006 -8.3006 -0.0877 -0.0877 0.5020 0.5020 1.0924 1.0924 1.2529 1.2529 1.3965 1.3965 1.6027 1.6027 1.7214 1.7214 1.9275 1.9275 2.0971 2.0971 2.2949 2.2949 2.3804 2.3804 2.8618 2.8618 3.4100 3.4100 3.5597 3.5597 4.0074 4.0074 4.3189 4.3189 4.5179 4.5179 5.1388 5.1388 5.3753 5.3753 5.5629 5.5629 6.3335 6.3335 6.7036 6.7036 6.7922 6.7922 7.0706 7.0706 7.2613 7.2613 7.3898 7.3898 7.5735 7.5735 7.7750 7.7750 13.3603 13.3603 13.8303 13.8303 14.2010 14.2010 14.4600 14.4600 15.5351 15.5351 16.6314 16.6314 17.2464 17.2464 k = 0.7184 0.0769-0.2467 ( 4112 PWs) bands (ev): -10.8123 -10.8123 -9.9403 -9.9403 -9.3538 -9.3538 -9.1083 -9.1083 -8.5490 -8.5490 -8.3008 -8.3008 -0.1295 -0.1295 0.5271 0.5271 1.0961 1.0961 1.2378 1.2378 1.3922 1.3922 1.6032 1.6032 1.7239 1.7239 1.9251 1.9251 2.0988 2.0988 2.2863 2.2863 2.3768 2.3768 2.8649 2.8649 3.3750 3.3750 3.5785 3.5785 4.0218 4.0218 4.3374 4.3374 4.5432 4.5432 5.1319 5.1319 5.4429 5.4429 5.5405 5.5405 6.3046 6.3046 6.7180 6.7180 6.7683 6.7683 7.0786 7.0786 7.2658 7.2658 7.3804 7.3804 7.5698 7.5698 7.7519 7.7519 13.3358 13.3358 13.8039 13.8039 14.2422 14.2422 14.4878 14.4878 15.5445 15.5445 16.6439 16.6439 17.2545 17.2545 k = 0.7103 0.0831-0.2315 ( 4116 PWs) bands (ev): -10.8415 -10.8415 -9.9026 -9.9026 -9.3484 -9.3484 -9.1282 -9.1282 -8.5329 -8.5329 -8.3010 -8.3010 -0.1717 -0.1717 0.5528 0.5528 1.0998 1.0998 1.2228 1.2228 1.3878 1.3878 1.6035 1.6035 1.7257 1.7257 1.9229 1.9229 2.0998 2.0998 2.2765 2.2765 2.3728 2.3728 2.8674 2.8674 3.3387 3.3387 3.6006 3.6006 4.0356 4.0356 4.3545 4.3545 4.5718 4.5718 5.1214 5.1214 5.5056 5.5056 5.5249 5.5249 6.2788 6.2788 6.7272 6.7272 6.7528 6.7528 7.0873 7.0873 7.2703 7.2703 7.3698 7.3698 7.5657 7.5657 7.7271 7.7271 13.3089 13.3089 13.7714 13.7714 14.2823 14.2823 14.5155 14.5155 15.5608 15.5608 16.6604 16.6604 17.2645 17.2645 k = 0.7022 0.0894-0.2162 ( 4118 PWs) bands (ev): -10.8702 -10.8702 -9.8649 -9.8649 -9.3430 -9.3430 -9.1477 -9.1477 -8.5171 -8.5171 -8.3011 -8.3011 -0.2141 -0.2141 0.5791 0.5791 1.1032 1.1032 1.2081 1.2081 1.3835 1.3835 1.6034 1.6034 1.7268 1.7268 1.9209 1.9209 2.0999 2.0999 2.2661 2.2661 2.3684 2.3684 2.8695 2.8695 3.3036 3.3036 3.6238 3.6238 4.0489 4.0489 4.3690 4.3690 4.6035 4.6035 5.1076 5.1076 5.4974 5.4974 5.5810 5.5810 6.2569 6.2569 6.7135 6.7135 6.7642 6.7642 7.0964 7.0964 7.2741 7.2741 7.3585 7.3585 7.5609 7.5609 7.7011 7.7011 13.2798 13.2798 13.7331 13.7331 14.3200 14.3200 14.5437 14.5437 15.5841 15.5841 16.6808 16.6808 17.2764 17.2764 k = 0.6941 0.0956-0.2010 ( 4118 PWs) bands (ev): -10.8983 -10.8983 -9.8273 -9.8273 -9.3379 -9.3379 -9.1666 -9.1666 -8.5015 -8.5015 -8.3012 -8.3012 -0.2565 -0.2565 0.6059 0.6059 1.1062 1.1062 1.1940 1.1940 1.3795 1.3795 1.6029 1.6029 1.7275 1.7275 1.9189 1.9189 2.0988 2.0988 2.2555 2.2555 2.3635 2.3635 2.8711 2.8711 3.2706 3.2706 3.6479 3.6479 4.0615 4.0615 4.3802 4.3802 4.6373 4.6373 5.0910 5.0910 5.4807 5.4807 5.6460 5.6460 6.2395 6.2395 6.6950 6.6950 6.7851 6.7851 7.1055 7.1055 7.2767 7.2767 7.3467 7.3467 7.5550 7.5550 7.6747 7.6747 13.2486 13.2486 13.6893 13.6893 14.3534 14.3534 14.5736 14.5736 15.6142 15.6142 16.7050 16.7050 17.2903 17.2903 k = 0.6861 0.1019-0.1857 ( 4126 PWs) bands (ev): -10.9257 -10.9257 -9.7899 -9.7899 -9.3330 -9.3330 -9.1848 -9.1848 -8.4862 -8.4862 -8.3013 -8.3013 -0.2988 -0.2988 0.6331 0.6331 1.1085 1.1085 1.1808 1.1808 1.3757 1.3757 1.6019 1.6019 1.7279 1.7279 1.9168 1.9168 2.0962 2.0962 2.2451 2.2451 2.3582 2.3582 2.8722 2.8722 3.2399 3.2399 3.6727 3.6727 4.0735 4.0735 4.3881 4.3881 4.6708 4.6708 5.0726 5.0726 5.4668 5.4668 5.7080 5.7080 6.2271 6.2271 6.6794 6.6794 6.8088 6.8088 7.1144 7.1144 7.2771 7.2771 7.3354 7.3354 7.5467 7.5467 7.6495 7.6495 13.2157 13.2157 13.6405 13.6405 14.3812 14.3812 14.6061 14.6061 15.6509 15.6509 16.7330 16.7330 17.3061 17.3061 k = 0.6780 0.1081-0.1705 ( 4128 PWs) bands (ev): -10.9524 -10.9524 -9.7528 -9.7528 -9.3286 -9.3286 -9.2022 -9.2022 -8.4713 -8.4713 -8.3014 -8.3014 -0.3409 -0.3409 0.6604 0.6604 1.1097 1.1097 1.1688 1.1688 1.3725 1.3725 1.6003 1.6003 1.7280 1.7280 1.9147 1.9147 2.0922 2.0922 2.2354 2.2354 2.3525 2.3525 2.8726 2.8726 3.2120 3.2120 3.6984 3.6984 4.0848 4.0848 4.3929 4.3929 4.7011 4.7011 5.0535 5.0535 5.4573 5.4573 5.7650 5.7650 6.2199 6.2199 6.6688 6.6688 6.8342 6.8342 7.1227 7.1227 7.2739 7.2739 7.3261 7.3261 7.5344 7.5344 7.6275 7.6275 13.1813 13.1813 13.5871 13.5871 14.4026 14.4026 14.6420 14.6420 15.6936 15.6936 16.7647 16.7647 17.3237 17.3237 k = 0.6699 0.1144-0.1553 ( 4132 PWs) bands (ev): -10.9783 -10.9783 -9.7161 -9.7161 -9.3249 -9.3249 -9.2183 -9.2183 -8.4568 -8.4568 -8.3014 -8.3014 -0.3827 -0.3827 0.6878 0.6878 1.1095 1.1095 1.1585 1.1585 1.3697 1.3697 1.5980 1.5980 1.7281 1.7281 1.9126 1.9126 2.0869 2.0869 2.2265 2.2265 2.3465 2.3465 2.8720 2.8720 3.1871 3.1871 3.7251 3.7251 4.0956 4.0956 4.3949 4.3949 4.7245 4.7245 5.0354 5.0354 5.4536 5.4536 5.8153 5.8153 6.2181 6.2181 6.6646 6.6646 6.8606 6.8606 7.1298 7.1298 7.2659 7.2659 7.3205 7.3205 7.5164 7.5164 7.6110 7.6110 13.1457 13.1457 13.5296 13.5296 14.4174 14.4174 14.6810 14.6810 15.7420 15.7420 16.7998 16.7998 17.3429 17.3429 k = 0.6618 0.1206-0.1400 ( 4136 PWs) bands (ev): -11.0034 -11.0034 -9.6800 -9.6800 -9.3224 -9.3224 -9.2329 -9.2329 -8.4428 -8.4428 -8.3013 -8.3013 -0.4239 -0.4239 0.7151 0.7151 1.1075 1.1075 1.1504 1.1504 1.3675 1.3675 1.5947 1.5947 1.7284 1.7284 1.9106 1.9106 2.0805 2.0805 2.2186 2.2186 2.3402 2.3402 2.8698 2.8698 3.1656 3.1656 3.7527 3.7527 4.1059 4.1059 4.3946 4.3946 4.7375 4.7375 5.0200 5.0200 5.4571 5.4571 5.8576 5.8576 6.2216 6.2216 6.6682 6.6682 6.8875 6.8875 7.1351 7.1351 7.2535 7.2535 7.3187 7.3187 7.4928 7.4928 7.6005 7.6005 13.1092 13.1092 13.4687 13.4687 14.4264 14.4264 14.7224 14.7224 15.7956 15.7956 16.8383 16.8383 17.3635 17.3635 k = 0.6537 0.1269-0.1248 ( 4138 PWs) bands (ev): -11.0276 -11.0276 -9.6446 -9.6446 -9.3216 -9.3216 -9.2453 -9.2453 -8.4293 -8.4293 -8.3013 -8.3013 -0.4645 -0.4645 0.7420 0.7420 1.1037 1.1037 1.1445 1.1445 1.3659 1.3659 1.5903 1.5903 1.7289 1.7289 1.9090 1.9090 2.0734 2.0734 2.2114 2.2114 2.3337 2.3337 2.8656 2.8656 3.1478 3.1478 3.7813 3.7813 4.1158 4.1158 4.3921 4.3921 4.7381 4.7381 5.0079 5.0079 5.4687 5.4687 5.8910 5.8910 6.2300 6.2300 6.6802 6.6802 6.9139 6.9139 7.1378 7.1378 7.2390 7.2390 7.3195 7.3195 7.4657 7.4657 7.5944 7.5944 13.0719 13.0719 13.4048 13.4048 14.4304 14.4304 14.7652 14.7652 15.8540 15.8540 16.8798 16.8798 17.3851 17.3851 k = 0.6456 0.1331-0.1095 ( 4140 PWs) bands (ev): -11.0508 -11.0508 -9.6100 -9.6100 -9.3232 -9.3232 -9.2546 -9.2546 -8.4163 -8.4163 -8.3012 -8.3012 -0.5043 -0.5043 0.7684 0.7684 1.0986 1.0986 1.1406 1.1406 1.3648 1.3648 1.5848 1.5848 1.7298 1.7298 1.9080 1.9080 2.0662 2.0662 2.2047 2.2047 2.3269 2.3269 2.8588 2.8588 3.1341 3.1341 3.8106 3.8106 4.1254 4.1254 4.3879 4.3879 4.7269 4.7269 4.9983 4.9983 5.4888 5.4888 5.9155 5.9155 6.2428 6.2428 6.7008 6.7008 6.9387 6.9387 7.1369 7.1369 7.2249 7.2249 7.3222 7.3222 7.4373 7.4373 7.5913 7.5913 13.0342 13.0342 13.3386 13.3386 14.4304 14.4304 14.8085 14.8085 15.9166 15.9166 16.9242 16.9242 17.4075 17.4075 k = 0.6375 0.1394-0.0943 ( 4146 PWs) bands (ev): -11.0730 -11.0730 -9.5765 -9.5765 -9.3277 -9.3277 -9.2604 -9.2604 -8.4039 -8.4039 -8.3011 -8.3011 -0.5431 -0.5431 0.7938 0.7938 1.0932 1.0932 1.1379 1.1379 1.3643 1.3643 1.5778 1.5778 1.7312 1.7312 1.9079 1.9079 2.0590 2.0590 2.1983 2.1983 2.3199 2.3199 2.8489 2.8489 3.1250 3.1250 3.8402 3.8402 4.1347 4.1347 4.3819 4.3819 4.7065 4.7065 4.9892 4.9892 5.5165 5.5165 5.9322 5.9322 6.2591 6.2591 6.7289 6.7289 6.9600 6.9600 7.1315 7.1315 7.2138 7.2138 7.3264 7.3264 7.4099 7.4099 7.5898 7.5898 12.9963 12.9963 13.2707 13.2707 14.4272 14.4272 14.8515 14.8515 15.9833 15.9833 16.9710 16.9710 17.4302 17.4302 k = 0.6294 0.1456-0.0791 ( 4156 PWs) bands (ev): -11.0942 -11.0942 -9.5442 -9.5442 -9.3348 -9.3348 -9.2629 -9.2629 -8.3921 -8.3921 -8.3010 -8.3010 -0.5808 -0.5808 0.8178 0.8178 1.0884 1.0884 1.1358 1.1358 1.3640 1.3640 1.5694 1.5694 1.7334 1.7334 1.9090 1.9090 2.0521 2.0521 2.1920 2.1920 2.3126 2.3126 2.8359 2.8359 3.1203 3.1203 3.8697 3.8697 4.1439 4.1439 4.3743 4.3743 4.6803 4.6803 4.9788 4.9788 5.5498 5.5498 5.9435 5.9435 6.2781 6.2781 6.7625 6.7625 6.9757 6.9757 7.1220 7.1220 7.2074 7.2074 7.3315 7.3315 7.3854 7.3854 7.5895 7.5895 12.9585 12.9585 13.2017 13.2017 14.4213 14.4213 14.8937 14.8937 16.0537 16.0537 17.0198 17.0198 17.4527 17.4527 k = 0.6213 0.1519-0.0638 ( 4156 PWs) bands (ev): -11.1142 -11.1142 -9.5135 -9.5135 -9.3432 -9.3432 -9.2630 -9.2630 -8.3809 -8.3809 -8.3009 -8.3009 -0.6173 -0.6173 0.8401 0.8401 1.0851 1.0851 1.1341 1.1341 1.3642 1.3642 1.5595 1.5595 1.7365 1.7365 1.9116 1.9116 2.0458 2.0458 2.1858 2.1858 2.3051 2.3051 2.8200 2.8200 3.1199 3.1199 3.8984 3.8984 4.1532 4.1532 4.3650 4.3650 4.6515 4.6515 4.9664 4.9664 5.5860 5.5860 5.9519 5.9519 6.2990 6.2990 6.7981 6.7981 6.9838 6.9838 7.1102 7.1102 7.2060 7.2060 7.3362 7.3362 7.3673 7.3673 7.5898 7.5898 12.9210 12.9210 13.1322 13.1322 14.4133 14.4133 14.9344 14.9344 16.1274 16.1274 17.0703 17.0703 17.4746 17.4746 k = 0.6132 0.1581-0.0486 ( 4140 PWs) bands (ev): -11.1332 -11.1332 -9.4848 -9.4848 -9.3517 -9.3517 -9.2617 -9.2617 -8.3704 -8.3704 -8.3007 -8.3007 -0.6524 -0.6524 0.8602 0.8602 1.0836 1.0836 1.1328 1.1328 1.3646 1.3646 1.5482 1.5482 1.7407 1.7407 1.9158 1.9158 2.0400 2.0400 2.1795 2.1795 2.2975 2.2975 2.8016 2.8016 3.1232 3.1232 3.9255 3.9255 4.1627 4.1627 4.3541 4.3541 4.6228 4.6228 4.9520 4.9520 5.6220 5.6220 5.9606 5.9606 6.3215 6.3215 6.8307 6.8307 6.9850 6.9850 7.0980 7.0980 7.2084 7.2084 7.3365 7.3365 7.3616 7.3616 7.5906 7.5906 12.8842 12.8842 13.0630 13.0630 14.4037 14.4037 14.9735 14.9735 16.2043 16.2043 17.1218 17.1218 17.4955 17.4955 k = 0.6052 0.1644-0.0334 ( 4140 PWs) bands (ev): -11.1509 -11.1509 -9.4592 -9.4592 -9.3589 -9.3589 -9.2595 -9.2595 -8.3607 -8.3607 -8.3006 -8.3006 -0.6859 -0.6859 0.8774 0.8774 1.0842 1.0842 1.1320 1.1320 1.3651 1.3651 1.5357 1.5357 1.7460 1.7460 1.9215 1.9215 2.0346 2.0346 2.1731 2.1731 2.2896 2.2896 2.7812 2.7812 3.1297 3.1297 3.9500 3.9500 4.1720 4.1720 4.3420 4.3420 4.5961 4.5961 4.9357 4.9357 5.6544 5.6544 5.9727 5.9727 6.3454 6.3454 6.8520 6.8520 6.9851 6.9851 7.0854 7.0854 7.2128 7.2128 7.3359 7.3359 7.3675 7.3675 7.5914 7.5914 12.8484 12.8484 12.9945 12.9945 14.3929 14.3929 15.0105 15.0105 16.2842 16.2842 17.1737 17.1737 17.5150 17.5150 k = 0.5971 0.1706-0.0181 ( 4148 PWs) bands (ev): -11.1675 -11.1675 -9.4385 -9.4385 -9.3625 -9.3625 -9.2570 -9.2570 -8.3516 -8.3516 -8.3004 -8.3004 -0.7176 -0.7176 0.8913 0.8913 1.0868 1.0868 1.1323 1.1323 1.3655 1.3655 1.5220 1.5220 1.7524 1.7524 1.9287 1.9287 2.0296 2.0296 2.1664 2.1664 2.2813 2.2813 2.7596 2.7596 3.1387 3.1387 3.9709 3.9709 4.1803 4.1803 4.3304 4.3304 4.5730 4.5730 4.9180 4.9180 5.6802 5.6802 5.9910 5.9910 6.3703 6.3703 6.8544 6.8544 6.9905 6.9905 7.0717 7.0717 7.2190 7.2190 7.3424 7.3424 7.3780 7.3780 7.5923 7.5923 12.8137 12.8137 12.9274 12.9274 14.3812 14.3812 15.0453 15.0453 16.3667 16.3667 17.2254 17.2254 17.5328 17.5328 k = 0.5890 0.1769-0.0029 ( 4142 PWs) bands (ev): -11.1829 -11.1829 -9.4260 -9.4260 -9.3590 -9.3590 -9.2543 -9.2543 -8.3433 -8.3433 -8.3002 -8.3002 -0.7475 -0.7475 0.9019 0.9019 1.0906 1.0906 1.1347 1.1347 1.3660 1.3660 1.5076 1.5076 1.7601 1.7601 1.9372 1.9372 2.0250 2.0250 2.1598 2.1598 2.2729 2.2729 2.7373 2.7373 3.1497 3.1497 3.9875 3.9875 4.1849 4.1849 4.3224 4.3224 4.5542 4.5542 4.8994 4.8994 5.6977 5.6977 6.0169 6.0169 6.3962 6.3962 6.8397 6.8397 6.9979 6.9979 7.0564 7.0564 7.2297 7.2297 7.3561 7.3561 7.3912 7.3912 7.5931 7.5931 12.7804 12.7804 12.8625 12.8625 14.3691 14.3691 15.0778 15.0778 16.4516 16.4516 17.2759 17.2759 17.5488 17.5488 k = 0.5809 0.1831 0.0124 ( 4146 PWs) bands (ev): -11.1970 -11.1970 -9.4229 -9.4229 -9.3474 -9.3474 -9.2517 -9.2517 -8.3357 -8.3357 -8.3001 -8.3001 -0.7754 -0.7754 0.9094 0.9094 1.0942 1.0942 1.1402 1.1402 1.3663 1.3663 1.4926 1.4926 1.7687 1.7687 1.9467 1.9467 2.0207 2.0207 2.1530 2.1530 2.2643 2.2643 2.7148 2.7148 3.1621 3.1621 3.9995 3.9995 4.1818 4.1818 4.3225 4.3225 4.5397 4.5397 4.8800 4.8800 5.7074 5.7074 6.0499 6.0499 6.4229 6.4229 6.8153 6.8153 6.9987 6.9987 7.0397 7.0397 7.2481 7.2481 7.3731 7.3731 7.4076 7.4076 7.5936 7.5936 12.7489 12.7489 12.8003 12.8003 14.3568 14.3568 15.1077 15.1077 16.5387 16.5387 17.3244 17.3244 17.5632 17.5632 k = 0.5728 0.1894 0.0276 ( 4146 PWs) bands (ev): -11.2098 -11.2098 -9.4255 -9.4255 -9.3312 -9.3312 -9.2490 -9.2490 -8.3288 -8.3288 -8.2999 -8.2999 -0.8011 -0.8011 0.9142 0.9142 1.0964 1.0964 1.1496 1.1496 1.3664 1.3664 1.4775 1.4775 1.7784 1.7784 1.9569 1.9569 2.0168 2.0168 2.1463 2.1463 2.2555 2.2555 2.6927 2.6927 3.1755 3.1755 4.0072 4.0072 4.1694 4.1694 4.3330 4.3330 4.5293 4.5293 4.8603 4.8603 5.7107 5.7107 6.0883 6.0883 6.4502 6.4502 6.7871 6.7871 6.9899 6.9899 7.0216 7.0216 7.2740 7.2740 7.3894 7.3894 7.4281 7.4281 7.5939 7.5939 12.7194 12.7194 12.7415 12.7415 14.3448 14.3448 15.1350 15.1350 16.6278 16.6278 17.3697 17.3697 17.5762 17.5762 k = 0.5647 0.1956 0.0428 ( 4144 PWs) bands (ev): -11.2214 -11.2214 -9.4303 -9.4303 -9.3140 -9.3140 -9.2465 -9.2465 -8.3228 -8.3228 -8.2996 -8.2996 -0.8245 -0.8245 0.9169 0.9169 1.0971 1.0971 1.1624 1.1624 1.3662 1.3662 1.4623 1.4623 1.7889 1.7889 1.9675 1.9675 2.0133 2.0133 2.1396 2.1396 2.2467 2.2467 2.6714 2.6714 3.1895 3.1895 4.0113 4.0113 4.1501 4.1501 4.3520 4.3520 4.5222 4.5222 4.8404 4.8404 5.7098 5.7098 6.1294 6.1294 6.4779 6.4779 6.7582 6.7582 6.9736 6.9736 7.0017 7.0017 7.3041 7.3041 7.4036 7.4036 7.4521 7.4521 7.5940 7.5940 12.6863 12.6863 12.6927 12.6927 14.3332 14.3332 15.1596 15.1596 16.7184 16.7184 17.4106 17.4106 17.5883 17.5883 k = 0.5566 0.2019 0.0581 ( 4150 PWs) bands (ev): -11.2316 -11.2316 -9.4357 -9.4357 -9.2976 -9.2976 -9.2442 -9.2442 -8.3175 -8.3175 -8.2994 -8.2994 -0.8454 -0.8454 0.9182 0.9182 1.0968 1.0968 1.1774 1.1774 1.3655 1.3655 1.4475 1.4475 1.7998 1.7998 1.9775 1.9775 2.0107 2.0107 2.1329 2.1329 2.2380 2.2380 2.6513 2.6513 3.2035 3.2035 4.0122 4.0122 4.1277 4.1277 4.3760 4.3760 4.5177 4.5177 4.8205 4.8205 5.7063 5.7063 6.1712 6.1712 6.5057 6.5057 6.7306 6.7306 6.9529 6.9529 6.9798 6.9798 7.3350 7.3350 7.4160 7.4160 7.4776 7.4776 7.5937 7.5937 12.6364 12.6364 12.6677 12.6677 14.3222 14.3222 15.1814 15.1814 16.8103 16.8103 17.4456 17.4456 17.6002 17.6002 k = 0.5485 0.2081 0.0733 ( 4144 PWs) bands (ev): -11.2405 -11.2405 -9.4409 -9.4409 -9.2829 -9.2829 -9.2420 -9.2420 -8.3131 -8.3131 -8.2990 -8.2990 -0.8639 -0.8639 0.9186 0.9186 1.0960 1.0960 1.1936 1.1936 1.3642 1.3642 1.4335 1.4335 1.8111 1.8111 1.9850 1.9850 2.0107 2.0107 2.1264 2.1264 2.2296 2.2296 2.6328 2.6328 3.2171 3.2171 4.0107 4.0107 4.1050 4.1050 4.4022 4.4022 4.5150 4.5150 4.8009 4.8009 5.7017 5.7017 6.2118 6.2118 6.5333 6.5333 6.7059 6.7059 6.9299 6.9299 6.9565 6.9565 7.3639 7.3639 7.4272 7.4272 7.5027 7.5027 7.5933 7.5933 12.5915 12.5915 12.6458 12.6458 14.3123 14.3123 15.2004 15.2004 16.9031 16.9031 17.4738 17.4738 17.6120 17.6120 k = 0.5404 0.2143 0.0885 ( 4144 PWs) bands (ev): -11.2480 -11.2480 -9.4456 -9.4456 -9.2703 -9.2703 -9.2398 -9.2398 -8.3095 -8.3095 -8.2986 -8.2986 -0.8796 -0.8796 0.9183 0.9183 1.0950 1.0950 1.2101 1.2101 1.3618 1.3618 1.4207 1.4207 1.8222 1.8222 1.9875 1.9875 2.0156 2.0156 2.1198 2.1198 2.2218 2.2218 2.6164 2.6164 3.2299 3.2299 4.0071 4.0071 4.0844 4.0844 4.4287 4.4287 4.5139 4.5139 4.7818 4.7818 5.6968 5.6968 6.2494 6.2494 6.5603 6.5603 6.6851 6.6851 6.9059 6.9059 6.9327 6.9327 7.3891 7.3891 7.4375 7.4375 7.5262 7.5262 7.5928 7.5928 12.5524 12.5524 12.6269 12.6269 14.3035 14.3035 15.2165 15.2165 16.9961 16.9961 17.4945 17.4945 17.6227 17.6227 k = 0.5324 0.2206 0.1038 ( 4140 PWs) bands (ev): -11.2542 -11.2542 -9.4495 -9.4495 -9.2601 -9.2601 -9.2376 -9.2376 -8.3067 -8.3067 -8.2981 -8.2981 -0.8926 -0.8926 0.9178 0.9178 1.0940 1.0940 1.2265 1.2265 1.3579 1.3579 1.4099 1.4099 1.8326 1.8326 1.9860 1.9860 2.0242 2.0242 2.1133 2.1133 2.2150 2.2150 2.6024 2.6024 3.2413 3.2413 4.0019 4.0019 4.0675 4.0675 4.4538 4.4538 4.5137 4.5137 4.7638 4.7638 5.6921 5.6921 6.2824 6.2824 6.5860 6.5860 6.6692 6.6692 6.8821 6.8821 6.9092 6.9092 7.4093 7.4093 7.4474 7.4474 7.5466 7.5466 7.5925 7.5925 12.5197 12.5197 12.6111 12.6111 14.2961 14.2961 15.2298 15.2298 17.0884 17.0884 17.5083 17.5083 17.6295 17.6295 k = 0.5243 0.2268 0.1190 ( 4134 PWs) bands (ev): -11.2591 -11.2591 -9.4527 -9.4527 -9.2527 -9.2527 -9.2353 -9.2353 -8.3049 -8.3049 -8.2974 -8.2974 -0.9028 -0.9028 0.9173 0.9173 1.0932 1.0932 1.2419 1.2419 1.3521 1.3521 1.4017 1.4017 1.8420 1.8420 1.9830 1.9830 2.0337 2.0337 2.1068 2.1068 2.2092 2.2092 2.5911 2.5911 3.2509 3.2509 3.9955 3.9955 4.0549 4.0549 4.4758 4.4758 4.5147 4.5147 4.7474 4.7474 5.6882 5.6882 6.3095 6.3095 6.6092 6.6092 6.6589 6.6589 6.8599 6.8599 6.8874 6.8874 7.4240 7.4240 7.4567 7.4567 7.5627 7.5627 7.5928 7.5928 12.4937 12.4937 12.5986 12.5986 14.2901 14.2901 15.2401 15.2401 17.1784 17.1784 17.5160 17.5160 17.6279 17.6279 k = 0.5162 0.2331 0.1343 ( 4130 PWs) bands (ev): -11.2625 -11.2625 -9.4550 -9.4550 -9.2480 -9.2480 -9.2329 -9.2329 -8.3037 -8.3037 -8.2967 -8.2967 -0.9102 -0.9102 0.9169 0.9169 1.0925 1.0925 1.2555 1.2555 1.3450 1.3450 1.3964 1.3964 1.8495 1.8495 1.9801 1.9801 2.0425 2.0425 2.1006 2.1006 2.2049 2.2049 2.5828 2.5828 3.2581 3.2581 3.9894 3.9894 4.0467 4.0467 4.4923 4.4923 4.5170 4.5170 4.7338 4.7338 5.6853 5.6853 6.3294 6.3294 6.6279 6.6279 6.6543 6.6543 6.8411 6.8411 6.8691 6.8691 7.4334 7.4334 7.4646 7.4646 7.5732 7.5732 7.5944 7.5944 12.4749 12.4749 12.5897 12.5897 14.2858 14.2858 15.2475 15.2475 17.2633 17.2633 17.5176 17.5176 17.6137 17.6137 k = 0.5081 0.2393 0.1495 ( 4130 PWs) bands (ev): -11.2646 -11.2646 -9.4564 -9.4564 -9.2456 -9.2456 -9.2311 -9.2311 -8.3031 -8.3031 -8.2962 -8.2962 -0.9146 -0.9146 0.9165 0.9165 1.0921 1.0921 1.2656 1.2656 1.3385 1.3385 1.3936 1.3936 1.8543 1.8543 1.9779 1.9779 2.0492 2.0492 2.0958 2.0958 2.2022 2.2022 2.5777 2.5777 3.2626 3.2626 3.9849 3.9849 4.0422 4.0422 4.5009 4.5009 4.5210 4.5210 4.7245 4.7245 5.6834 5.6834 6.3415 6.3415 6.6385 6.6385 6.6553 6.6553 6.8280 6.8280 6.8564 6.8564 7.4386 7.4386 7.4700 7.4700 7.5780 7.5780 7.5970 7.5970 12.4635 12.4635 12.5842 12.5842 14.2832 14.2832 15.2520 15.2520 17.3351 17.3351 17.5106 17.5106 17.5917 17.5917 k = 0.5000 0.2456 0.1647 ( 4136 PWs) bands (ev): -11.2653 -11.2653 -9.4568 -9.4568 -9.2449 -9.2449 -9.2303 -9.2303 -8.3030 -8.3030 -8.2960 -8.2960 -0.9161 -0.9161 0.9164 0.9164 1.0919 1.0919 1.2695 1.2695 1.3356 1.3356 1.3927 1.3927 1.8560 1.8560 1.9770 1.9770 2.0518 2.0518 2.0937 2.0937 2.2013 2.2013 2.5760 2.5760 3.2641 3.2641 3.9833 3.9833 4.0407 4.0407 4.5032 4.5032 4.5232 4.5232 4.7212 4.7212 5.6828 5.6828 6.3456 6.3456 6.6410 6.6410 6.6573 6.6573 6.8232 6.8232 6.8518 6.8518 7.4402 7.4402 7.4719 7.4719 7.5792 7.5792 7.5983 7.5983 12.4597 12.4597 12.5824 12.5824 14.2823 14.2823 15.2535 15.2535 17.3691 17.3691 17.5012 17.5012 17.5808 17.5809 k = 0.5000 0.2456 0.1647 ( 4136 PWs) bands (ev): -11.2653 -11.2653 -9.4568 -9.4568 -9.2449 -9.2449 -9.2303 -9.2303 -8.3030 -8.3030 -8.2960 -8.2960 -0.9161 -0.9161 0.9164 0.9164 1.0919 1.0919 1.2695 1.2695 1.3356 1.3356 1.3927 1.3927 1.8560 1.8560 1.9770 1.9770 2.0518 2.0518 2.0937 2.0937 2.2013 2.2013 2.5760 2.5760 3.2641 3.2641 3.9833 3.9833 4.0407 4.0407 4.5032 4.5032 4.5232 4.5232 4.7212 4.7212 5.6828 5.6828 6.3456 6.3456 6.6410 6.6410 6.6573 6.6573 6.8232 6.8232 6.8518 6.8518 7.4402 7.4402 7.4719 7.4719 7.5792 7.5792 7.5983 7.5983 12.4597 12.4597 12.5824 12.5824 14.2823 14.2823 15.2535 15.2535 17.3691 17.3691 17.5012 17.5012 17.5808 17.5809 k = 0.4844 0.2379 0.1596 ( 4148 PWs) bands (ev): -11.2657 -11.2657 -9.4562 -9.4562 -9.2448 -9.2448 -9.2302 -9.2302 -8.3031 -8.3031 -8.2961 -8.2961 -0.9160 -0.9160 0.9166 0.9166 1.0921 1.0921 1.2688 1.2688 1.3359 1.3359 1.3933 1.3933 1.8558 1.8558 1.9744 1.9744 2.0520 2.0520 2.0935 2.0935 2.1995 2.1995 2.5793 2.5793 3.2606 3.2606 3.9814 3.9814 4.0374 4.0374 4.5043 4.5043 4.5258 4.5258 4.7260 4.7260 5.6840 5.6840 6.3453 6.3453 6.6363 6.6363 6.6517 6.6517 6.8289 6.8289 6.8564 6.8564 7.4392 7.4392 7.4709 7.4709 7.5812 7.5812 7.6004 7.6004 12.4092 12.4092 12.6314 12.6314 14.2808 14.2808 15.2542 15.2542 17.3640 17.3640 17.5020 17.5020 17.5818 17.5818 k = 0.4688 0.2302 0.1544 ( 4148 PWs) bands (ev): -11.2669 -11.2669 -9.4542 -9.4542 -9.2445 -9.2445 -9.2299 -9.2299 -8.3035 -8.3035 -8.2966 -8.2966 -0.9158 -0.9158 0.9176 0.9176 1.0926 1.0926 1.2671 1.2671 1.3369 1.3369 1.3952 1.3952 1.8552 1.8552 1.9670 1.9670 2.0528 2.0528 2.0925 2.0925 2.1952 2.1952 2.5891 2.5891 3.2506 3.2506 3.9757 3.9757 4.0275 4.0275 4.5079 4.5079 4.5334 4.5334 4.7404 4.7404 5.6876 5.6876 6.3443 6.3443 6.6233 6.6233 6.6371 6.6371 6.8437 6.8437 6.8688 6.8688 7.4365 7.4365 7.4680 7.4680 7.5871 7.5871 7.6065 7.6065 12.3229 12.3229 12.7134 12.7134 14.2762 14.2762 15.2565 15.2565 17.3507 17.3507 17.5020 17.5020 17.5858 17.5858 k = 0.4531 0.2226 0.1493 ( 4163 PWs) bands (ev): -11.2689 -11.2689 -9.4508 -9.4508 -9.2440 -9.2440 -9.2294 -9.2294 -8.3042 -8.3042 -8.2973 -8.2973 -0.9155 -0.9155 0.9191 0.9191 1.0934 1.0934 1.2641 1.2641 1.3385 1.3385 1.3982 1.3982 1.8542 1.8542 1.9555 1.9555 2.0539 2.0539 2.0896 2.0896 2.1896 2.1896 2.6039 2.6039 3.2346 3.2346 3.9664 3.9664 4.0119 4.0119 4.5135 4.5135 4.5451 4.5451 4.7635 4.7635 5.6936 5.6936 6.3427 6.3427 6.6048 6.6048 6.6172 6.6172 6.8639 6.8639 6.8865 6.8865 7.4325 7.4325 7.4637 7.4637 7.5962 7.5962 7.6159 7.6159 12.2299 12.2299 12.7994 12.7994 14.2687 14.2687 15.2601 15.2601 17.3321 17.3321 17.4967 17.4967 17.5942 17.5942 k = 0.4375 0.2149 0.1441 ( 4154 PWs) bands (ev): -11.2717 -11.2717 -9.4462 -9.4462 -9.2432 -9.2432 -9.2286 -9.2286 -8.3052 -8.3052 -8.2983 -8.2983 -0.9150 -0.9150 0.9212 0.9212 1.0947 1.0947 1.2600 1.2600 1.3407 1.3407 1.4021 1.4021 1.8530 1.8530 1.9407 1.9407 2.0556 2.0556 2.0841 2.0841 2.1849 2.1849 2.6223 2.6223 3.2137 3.2137 3.9540 3.9540 3.9917 3.9917 4.5208 4.5208 4.5599 4.5599 4.7942 4.7942 5.7023 5.7023 6.3408 6.3408 6.5836 6.5836 6.5952 6.5952 6.8866 6.8866 6.9069 6.9069 7.4278 7.4278 7.4589 7.4589 7.6080 7.6080 7.6280 7.6280 12.1339 12.1339 12.8856 12.8856 14.2584 14.2584 15.2650 15.2650 17.3111 17.3111 17.4845 17.4845 17.6065 17.6065 k = 0.4219 0.2072 0.1390 ( 4157 PWs) bands (ev): -11.2751 -11.2751 -9.4404 -9.4404 -9.2423 -9.2423 -9.2276 -9.2276 -8.3064 -8.3064 -8.2996 -8.2996 -0.9144 -0.9144 0.9237 0.9237 1.0963 1.0963 1.2548 1.2548 1.3434 1.3434 1.4069 1.4069 1.8516 1.8516 1.9235 1.9235 2.0576 2.0576 2.0753 2.0753 2.1820 2.1820 2.6425 2.6425 3.1891 3.1891 3.9387 3.9387 3.9677 3.9677 4.5294 4.5294 4.5765 4.5765 4.8311 4.8311 5.7137 5.7137 6.3385 6.3385 6.5614 6.5614 6.5730 6.5730 6.9098 6.9098 6.9283 6.9283 7.4231 7.4231 7.4539 7.4539 7.6219 7.6219 7.6421 7.6421 12.0358 12.0358 12.9711 12.9711 14.2455 14.2455 15.2709 15.2709 17.2895 17.2895 17.4664 17.4664 17.6207 17.6207 k = 0.4062 0.1995 0.1338 ( 4157 PWs) bands (ev): -11.2793 -11.2793 -9.4334 -9.4334 -9.2412 -9.2412 -9.2265 -9.2265 -8.3079 -8.3079 -8.3011 -8.3011 -0.9137 -0.9137 0.9266 0.9266 1.0982 1.0982 1.2483 1.2483 1.3466 1.3466 1.4122 1.4122 1.8502 1.8502 1.9048 1.9048 2.0600 2.0600 2.0637 2.0637 2.1813 2.1813 2.6630 2.6630 3.1623 3.1623 3.9210 3.9210 3.9410 3.9410 4.5387 4.5387 4.5939 4.5939 4.8727 4.8727 5.7280 5.7280 6.3363 6.3363 6.5396 6.5396 6.5518 6.5518 6.9326 6.9326 6.9494 6.9494 7.4186 7.4186 7.4494 7.4494 7.6373 7.6373 7.6577 7.6577 11.9360 11.9360 13.0558 13.0558 14.2302 14.2302 15.2774 15.2774 17.2684 17.2684 17.4439 17.4439 17.6349 17.6349 k = 0.3906 0.1919 0.1287 ( 4145 PWs) bands (ev): -11.2841 -11.2841 -9.4253 -9.4253 -9.2399 -9.2399 -9.2251 -9.2251 -8.3096 -8.3096 -8.3029 -8.3029 -0.9128 -0.9128 0.9296 0.9296 1.1005 1.1005 1.2407 1.2407 1.3502 1.3502 1.4179 1.4179 1.8489 1.8489 1.8858 1.8858 2.0502 2.0502 2.0626 2.0626 2.1823 2.1823 2.6821 2.6821 3.1350 3.1350 3.9014 3.9014 3.9124 3.9124 4.5481 4.5481 4.6112 4.6112 4.9174 4.9174 5.7453 5.7453 6.3345 6.3345 6.5194 6.5194 6.5323 6.5323 6.9541 6.9541 6.9697 6.9697 7.4149 7.4149 7.4455 7.4455 7.6539 7.6539 7.6743 7.6743 11.8348 11.8348 13.1396 13.1396 14.2129 14.2129 15.2843 15.2843 17.2485 17.2485 17.4181 17.4181 17.6480 17.6480 k = 0.3750 0.1842 0.1235 ( 4145 PWs) bands (ev): -11.2894 -11.2894 -9.4163 -9.4163 -9.2384 -9.2384 -9.2236 -9.2236 -8.3115 -8.3115 -8.3049 -8.3049 -0.9118 -0.9118 0.9325 0.9325 1.1031 1.1031 1.2317 1.2317 1.3541 1.3541 1.4237 1.4237 1.8476 1.8476 1.8673 1.8673 2.0354 2.0354 2.0655 2.0655 2.1845 2.1845 2.6982 2.6982 3.1091 3.1091 3.8802 3.8802 3.8825 3.8825 4.5569 4.5569 4.6274 4.6274 4.9638 4.9638 5.7655 5.7655 6.3337 6.3337 6.5014 6.5014 6.5154 6.5154 6.9740 6.9740 6.9884 6.9884 7.4122 7.4122 7.4426 7.4426 7.6711 7.6711 7.6915 7.6915 11.7322 11.7322 13.2223 13.2223 14.1937 14.1937 15.2913 15.2913 17.2306 17.2306 17.3901 17.3901 17.6591 17.6591 k = 0.3594 0.1765 0.1184 ( 4139 PWs) bands (ev): -11.2953 -11.2953 -9.4063 -9.4063 -9.2367 -9.2367 -9.2219 -9.2219 -8.3136 -8.3136 -8.3071 -8.3071 -0.9107 -0.9107 0.9351 0.9351 1.1060 1.1060 1.2215 1.2215 1.3582 1.3582 1.4296 1.4296 1.8467 1.8467 1.8503 1.8503 2.0202 2.0202 2.0684 2.0684 2.1875 2.1875 2.7094 2.7094 3.0866 3.0866 3.8518 3.8518 3.8578 3.8578 4.5648 4.5648 4.6420 4.6420 5.0106 5.0106 5.7885 5.7885 6.3346 6.3346 6.4862 6.4862 6.5013 6.5013 6.9919 6.9919 7.0054 7.0054 7.4107 7.4107 7.4408 7.4408 7.6887 7.6887 7.7091 7.7091 11.6285 11.6285 13.3040 13.3040 14.1729 14.1729 15.2981 15.2981 17.2148 17.2148 17.3609 17.3609 17.6660 17.6675 k = 0.3438 0.1688 0.1133 ( 4142 PWs) bands (ev): -11.3016 -11.3016 -9.3956 -9.3956 -9.2350 -9.2350 -9.2200 -9.2200 -8.3159 -8.3159 -8.3095 -8.3095 -0.9094 -0.9094 0.9367 0.9367 1.1091 1.1091 1.2103 1.2103 1.3624 1.3624 1.4353 1.4353 1.8352 1.8352 1.8461 1.8461 2.0051 2.0051 2.0714 2.0714 2.1909 2.1909 2.7139 2.7139 3.0695 3.0695 3.8208 3.8208 3.8344 3.8344 4.5713 4.5713 4.6543 4.6543 5.0564 5.0564 5.8137 5.8137 6.3383 6.3383 6.4743 6.4743 6.4905 6.4905 7.0076 7.0076 7.0203 7.0203 7.4105 7.4105 7.4403 7.4403 7.7064 7.7064 7.7265 7.7265 11.5236 11.5236 13.3848 13.3848 14.1510 14.1510 15.3043 15.3043 17.2015 17.2015 17.3312 17.3312 17.6262 17.6737 k = 0.3281 0.1612 0.1081 ( 4142 PWs) bands (ev): -11.3082 -11.3082 -9.3842 -9.3842 -9.2331 -9.2331 -9.2181 -9.2181 -8.3184 -8.3184 -8.3121 -8.3121 -0.9081 -0.9081 0.9371 0.9371 1.1125 1.1125 1.1984 1.1984 1.3666 1.3666 1.4409 1.4409 1.8226 1.8226 1.8462 1.8462 1.9904 1.9904 2.0744 2.0744 2.1945 2.1945 2.7104 2.7104 3.0594 3.0594 3.7897 3.7897 3.8104 3.8104 4.5761 4.5761 4.6641 4.6641 5.1004 5.1004 5.8400 5.8400 6.3462 6.3462 6.4661 6.4661 6.4833 6.4833 7.0209 7.0209 7.0331 7.0331 7.4118 7.4118 7.4411 7.4411 7.7237 7.7237 7.7437 7.7437 11.4178 11.4178 13.4645 13.4645 14.1282 14.1282 15.3096 15.3096 17.1905 17.1905 17.3019 17.3019 17.5953 17.5953 k = 0.3125 0.1535 0.1030 ( 4127 PWs) bands (ev): -11.3152 -11.3152 -9.3723 -9.3723 -9.2310 -9.2310 -9.2160 -9.2160 -8.3211 -8.3211 -8.3148 -8.3148 -0.9066 -0.9066 0.9357 0.9357 1.1163 1.1163 1.1865 1.1865 1.3706 1.3706 1.4463 1.4463 1.8127 1.8127 1.8470 1.8470 1.9766 1.9766 2.0774 2.0774 2.1981 2.1981 2.6989 2.6989 3.0568 3.0568 3.7588 3.7588 3.7858 3.7858 4.5790 4.5790 4.6710 4.6710 5.1417 5.1417 5.8658 5.8658 6.3600 6.3600 6.4618 6.4618 6.4797 6.4797 7.0319 7.0319 7.0438 7.0438 7.4147 7.4147 7.4433 7.4433 7.7405 7.7405 7.7601 7.7601 11.3113 11.3113 13.5431 13.5431 14.1050 14.1050 15.3139 15.3139 17.1815 17.1815 17.2741 17.2741 17.5652 17.5652 k = 0.2969 0.1458 0.0978 ( 4127 PWs) bands (ev): -11.3223 -11.3223 -9.3599 -9.3599 -9.2289 -9.2289 -9.2138 -9.2138 -8.3238 -8.3238 -8.3177 -8.3177 -0.9049 -0.9049 0.9315 0.9315 1.1202 1.1202 1.1755 1.1755 1.3743 1.3743 1.4514 1.4514 1.8052 1.8052 1.8485 1.8485 1.9641 1.9641 2.0801 2.0801 2.2018 2.2018 2.6802 2.6802 3.0609 3.0609 3.7283 3.7283 3.7608 3.7608 4.5798 4.5798 4.6749 4.6749 5.1800 5.1800 5.8890 5.8890 6.3818 6.3818 6.4614 6.4614 6.4799 6.4799 7.0406 7.0406 7.0524 7.0524 7.4191 7.4191 7.4469 7.4469 7.7564 7.7564 7.7756 7.7756 11.2041 11.2041 13.6203 13.6203 14.0817 14.0817 15.3168 15.3168 17.1734 17.1734 17.2492 17.2492 17.5361 17.5361 k = 0.2812 0.1381 0.0927 ( 4133 PWs) bands (ev): -11.3296 -11.3296 -9.3472 -9.3472 -9.2267 -9.2267 -9.2115 -9.2115 -8.3267 -8.3267 -8.3207 -8.3207 -0.9032 -0.9032 0.9239 0.9239 1.1243 1.1243 1.1662 1.1662 1.3776 1.3776 1.4561 1.4561 1.7995 1.7995 1.8510 1.8510 1.9534 1.9534 2.0827 2.0827 2.2054 2.2054 2.6557 2.6557 3.0702 3.0702 3.6985 3.6985 3.7357 3.7357 4.5787 4.5787 4.6757 4.6757 5.2151 5.2151 5.9077 5.9077 6.4131 6.4131 6.4650 6.4650 6.4838 6.4838 7.0470 7.0470 7.0589 7.0589 7.4250 7.4250 7.4520 7.4520 7.7711 7.7711 7.7899 7.7899 11.0965 11.0965 13.6958 13.6958 14.0592 14.0592 15.3182 15.3182 17.1641 17.1641 17.2297 17.2297 17.5085 17.5085 k = 0.2656 0.1305 0.0875 ( 4127 PWs) bands (ev): -11.3369 -11.3369 -9.3343 -9.3343 -9.2245 -9.2245 -9.2091 -9.2091 -8.3296 -8.3296 -8.3237 -8.3237 -0.9014 -0.9014 0.9125 0.9125 1.1287 1.1287 1.1597 1.1597 1.3804 1.3804 1.4604 1.4604 1.7954 1.7954 1.8545 1.8545 1.9449 1.9449 2.0850 2.0850 2.2090 2.2090 2.6276 2.6276 3.0831 3.0831 3.6695 3.6695 3.7105 3.7105 4.5757 4.5757 4.6737 4.6737 5.2472 5.2472 5.9204 5.9204 6.4547 6.4547 6.4724 6.4724 6.4914 6.4914 7.0513 7.0513 7.0635 7.0635 7.4324 7.4324 7.4584 7.4584 7.7845 7.7845 7.8028 7.8028 10.9887 10.9887 13.7683 13.7683 14.0388 14.0388 15.3179 15.3179 17.1510 17.1510 17.2185 17.2185 17.4826 17.4826 k = 0.2500 0.1228 0.0824 ( 4116 PWs) bands (ev): -11.3442 -11.3442 -9.3214 -9.3214 -9.2222 -9.2222 -9.2067 -9.2067 -8.3325 -8.3325 -8.3268 -8.3268 -0.8995 -0.8995 0.8972 0.8972 1.1333 1.1333 1.1563 1.1563 1.3828 1.3828 1.4643 1.4643 1.7919 1.7919 1.8591 1.8591 1.9393 1.9393 2.0872 2.0872 2.2126 2.2126 2.5971 2.5971 3.0981 3.0981 3.6414 3.6414 3.6853 3.6853 4.5709 4.5709 4.6690 4.6690 5.2765 5.2765 5.9265 5.9265 6.4834 6.4834 6.4994 6.4994 6.5096 6.5096 7.0537 7.0537 7.0663 7.0663 7.4412 7.4412 7.4661 7.4661 7.7962 7.7962 7.8139 7.8139 10.8809 10.8809 13.8348 13.8348 14.0238 14.0238 15.3159 15.3159 17.1339 17.1339 17.2157 17.2157 17.4587 17.4587 k = 0.2344 0.1151 0.0772 ( 4113 PWs) bands (ev): -11.3515 -11.3515 -9.3085 -9.3085 -9.2199 -9.2199 -9.2043 -9.2043 -8.3355 -8.3355 -8.3299 -8.3299 -0.8976 -0.8976 0.8784 0.8784 1.1380 1.1380 1.1561 1.1561 1.3844 1.3844 1.4674 1.4674 1.7887 1.7887 1.8648 1.8648 1.9368 1.9368 2.0889 2.0889 2.2160 2.2160 2.5655 2.5655 3.1143 3.1143 3.6143 3.6143 3.6603 3.6603 4.5646 4.5646 4.6619 4.6619 5.3034 5.3034 5.9263 5.9263 6.4977 6.4977 6.5149 6.5149 6.5693 6.5693 7.0544 7.0544 7.0675 7.0675 7.4513 7.4513 7.4751 7.4751 7.8060 7.8060 7.8232 7.8232 10.7734 10.7734 13.8857 13.8857 14.0237 14.0237 15.3121 15.3121 17.1150 17.1150 17.2190 17.2190 17.4370 17.4370 k = 0.2188 0.1074 0.0721 ( 4125 PWs) bands (ev): -11.3586 -11.3586 -9.2958 -9.2958 -9.2176 -9.2176 -9.2020 -9.2020 -8.3385 -8.3385 -8.3330 -8.3330 -0.8956 -0.8956 0.8569 0.8569 1.1428 1.1428 1.1588 1.1588 1.3853 1.3853 1.4695 1.4695 1.7852 1.7852 1.8714 1.8714 1.9374 1.9374 2.0901 2.0901 2.2192 2.2192 2.5337 2.5337 3.1308 3.1308 3.5884 3.5884 3.6356 3.6356 4.5569 4.5569 4.6526 4.6526 5.3284 5.3284 5.9207 5.9207 6.5148 6.5148 6.5314 6.5314 6.6384 6.6384 7.0536 7.0536 7.0673 7.0673 7.4625 7.4625 7.4853 7.4853 7.8139 7.8139 7.8305 7.8305 10.6666 10.6666 13.9052 13.9052 14.0547 14.0547 15.3063 15.3063 17.0963 17.0963 17.2262 17.2262 17.4176 17.4176 k = 0.2031 0.0998 0.0669 ( 4119 PWs) bands (ev): -11.3654 -11.3654 -9.2835 -9.2835 -9.2153 -9.2153 -9.1996 -9.1996 -8.3414 -8.3414 -8.3360 -8.3360 -0.8936 -0.8936 0.8335 0.8335 1.1478 1.1478 1.1641 1.1641 1.3855 1.3855 1.4706 1.4706 1.7817 1.7817 1.8791 1.8791 1.9411 1.9411 2.0910 2.0910 2.2222 2.2222 2.5024 2.5024 3.1473 3.1473 3.5637 3.5637 3.6113 3.6113 4.5483 4.5483 4.6417 4.6417 5.3519 5.3519 5.9106 5.9106 6.5343 6.5343 6.5501 6.5501 6.7134 6.7134 7.0515 7.0515 7.0658 7.0658 7.4749 7.4749 7.4966 7.4966 7.8197 7.8197 7.8357 7.8357 10.5607 10.5607 13.8996 13.8996 14.1105 14.1105 15.2987 15.2987 17.0789 17.0789 17.2362 17.2362 17.4007 17.4007 k = 0.1875 0.0921 0.0618 ( 4119 PWs) bands (ev): -11.3721 -11.3721 -9.2715 -9.2715 -9.2131 -9.2131 -9.1973 -9.1973 -8.3442 -8.3442 -8.3390 -8.3390 -0.8916 -0.8916 0.8092 0.8092 1.1528 1.1528 1.1713 1.1713 1.3851 1.3851 1.4702 1.4702 1.7784 1.7784 1.8879 1.8879 1.9473 1.9473 2.0913 2.0913 2.2249 2.2249 2.4723 2.4723 3.1632 3.1632 3.5403 3.5403 3.5876 3.5876 4.5389 4.5389 4.6296 4.6296 5.3741 5.3741 5.8970 5.8970 6.5557 6.5557 6.5705 6.5705 6.7926 6.7926 7.0483 7.0483 7.0631 7.0631 7.4882 7.4882 7.5089 7.5089 7.8233 7.8233 7.8387 7.8387 10.4563 10.4563 13.8849 13.8849 14.1749 14.1749 15.2891 15.2891 17.0631 17.0631 17.2480 17.2480 17.3861 17.3861 k = 0.1719 0.0844 0.0566 ( 4113 PWs) bands (ev): -11.3783 -11.3783 -9.2600 -9.2600 -9.2109 -9.2109 -9.1951 -9.1951 -8.3470 -8.3470 -8.3419 -8.3419 -0.8896 -0.8896 0.7846 0.7846 1.1579 1.1579 1.1803 1.1803 1.3841 1.3841 1.4681 1.4681 1.7757 1.7757 1.8975 1.8975 1.9557 1.9557 2.0911 2.0911 2.2270 2.2270 2.4437 2.4437 3.1782 3.1782 3.5184 3.5184 3.5646 3.5646 4.5291 4.5291 4.6166 4.6166 5.3956 5.3956 5.8806 5.8806 6.5786 6.5786 6.5923 6.5923 6.8742 6.8742 7.0443 7.0443 7.0594 7.0594 7.5025 7.5025 7.5222 7.5222 7.8247 7.8247 7.8394 7.8394 10.3539 10.3539 13.8677 13.8677 14.2414 14.2414 15.2776 15.2776 17.0491 17.0491 17.2610 17.2610 17.3740 17.3740 k = 0.1562 0.0767 0.0515 ( 4125 PWs) bands (ev): -11.3843 -11.3843 -9.2492 -9.2492 -9.2089 -9.2089 -9.1929 -9.1929 -8.3496 -8.3496 -8.3446 -8.3446 -0.8877 -0.8877 0.7604 0.7604 1.1628 1.1628 1.1905 1.1905 1.3823 1.3823 1.4643 1.4643 1.7737 1.7737 1.9077 1.9077 1.9655 1.9655 2.0902 2.0902 2.2281 2.2281 2.4173 2.4173 3.1922 3.1922 3.4980 3.4980 3.5427 3.5427 4.5192 4.5192 4.6031 4.6031 5.4165 5.4165 5.8620 5.8620 6.6023 6.6023 6.6150 6.6150 6.9559 6.9559 7.0404 7.0404 7.0548 7.0548 7.5176 7.5176 7.5364 7.5364 7.8237 7.8237 7.8378 7.8378 10.2541 10.2541 13.8502 13.8502 14.3077 14.3077 15.2642 15.2642 17.0371 17.0371 17.2747 17.2747 17.3641 17.3641 k = 0.1406 0.0691 0.0463 ( 4131 PWs) bands (ev): -11.3898 -11.3898 -9.2392 -9.2392 -9.2070 -9.2070 -9.1909 -9.1909 -8.3520 -8.3520 -8.3472 -8.3472 -0.8858 -0.8858 0.7372 0.7372 1.1678 1.1678 1.2017 1.2017 1.3803 1.3803 1.4586 1.4586 1.7728 1.7728 1.9186 1.9186 1.9764 1.9764 2.0888 2.0888 2.2277 2.2277 2.3936 2.3936 3.2050 3.2050 3.4792 3.4792 3.5219 3.5219 4.5094 4.5094 4.5896 4.5896 5.4370 5.4370 5.8417 5.8417 6.6264 6.6264 6.6381 6.6381 7.0205 7.0205 7.0495 7.0495 7.0525 7.0525 7.5334 7.5334 7.5515 7.5515 7.8206 7.8206 7.8340 7.8340 10.1577 10.1577 13.8335 13.8335 14.3725 14.3725 15.2490 15.2490 17.0269 17.0269 17.2887 17.2887 17.3564 17.3564 k = 0.1250 0.0614 0.0412 ( 4116 PWs) bands (ev): -11.3948 -11.3948 -9.2299 -9.2299 -9.2052 -9.2052 -9.1891 -9.1891 -8.3543 -8.3543 -8.3495 -8.3495 -0.8841 -0.8841 0.7156 0.7156 1.1725 1.1725 1.2139 1.2139 1.3779 1.3779 1.4514 1.4514 1.7730 1.7730 1.9298 1.9298 1.9880 1.9880 2.0867 2.0867 2.2254 2.2254 2.3739 2.3739 3.2166 3.2166 3.4621 3.4621 3.5026 3.5026 4.5000 4.5000 4.5766 4.5766 5.4576 5.4576 5.8202 5.8202 6.6503 6.6503 6.6612 6.6612 7.0224 7.0224 7.0436 7.0436 7.1249 7.1249 7.5499 7.5499 7.5674 7.5674 7.8153 7.8153 7.8281 7.8281 10.0655 10.0655 13.8178 13.8178 14.4354 14.4354 15.2321 15.2321 17.0184 17.0184 17.3025 17.3025 17.3508 17.3508 k = 0.1094 0.0537 0.0360 ( 4107 PWs) bands (ev): -11.3993 -11.3993 -9.2215 -9.2215 -9.2035 -9.2035 -9.1874 -9.1874 -8.3564 -8.3564 -8.3517 -8.3517 -0.8825 -0.8825 0.6956 0.6956 1.1771 1.1771 1.2266 1.2266 1.3754 1.3754 1.4425 1.4425 1.7741 1.7741 1.9412 1.9412 1.9999 1.9999 2.0841 2.0841 2.2203 2.2203 2.3582 2.3582 3.2266 3.2266 3.4468 3.4468 3.4850 3.4850 4.4912 4.4912 4.5642 4.5642 5.4781 5.4781 5.7977 5.7977 6.6736 6.6736 6.6837 6.6837 7.0161 7.0161 7.0373 7.0373 7.2018 7.2018 7.5670 7.5670 7.5840 7.5840 7.8080 7.8080 7.8201 7.8201 9.9786 9.9786 13.8036 13.8036 14.4956 14.4956 15.2136 15.2136 17.0115 17.0115 17.3156 17.3156 17.3468 17.3468 k = 0.0938 0.0460 0.0309 ( 4092 PWs) bands (ev): -11.4033 -11.4033 -9.2141 -9.2141 -9.2021 -9.2021 -9.1859 -9.1859 -8.3582 -8.3582 -8.3536 -8.3536 -0.8810 -0.8810 0.6778 0.6778 1.1814 1.1814 1.2399 1.2399 1.3728 1.3728 1.4323 1.4323 1.7759 1.7759 1.9526 1.9526 2.0120 2.0120 2.0808 2.0808 2.2124 2.2124 2.3469 2.3469 3.2352 3.2352 3.4333 3.4333 3.4693 3.4693 4.4833 4.4833 4.5529 4.5529 5.4989 5.4989 5.7746 5.7746 6.6956 6.6956 6.7052 6.7052 7.0090 7.0090 7.0307 7.0307 7.2744 7.2744 7.5845 7.5845 7.6012 7.6012 7.7988 7.7988 7.8103 7.8103 9.8983 9.8983 13.7909 13.7909 14.5524 14.5524 15.1938 15.1938 17.0061 17.0061 17.3278 17.3278 17.3443 17.3443 k = 0.0781 0.0384 0.0257 ( 4095 PWs) bands (ev): -11.4067 -11.4067 -9.2077 -9.2077 -9.2008 -9.2008 -9.1845 -9.1845 -8.3598 -8.3598 -8.3553 -8.3553 -0.8797 -0.8797 0.6623 0.6623 1.1852 1.1852 1.2531 1.2531 1.3702 1.3702 1.4212 1.4212 1.7781 1.7781 1.9636 1.9636 2.0240 2.0240 2.0770 2.0770 2.2018 2.2018 2.3395 2.3395 3.2422 3.2422 3.4217 3.4217 3.4557 3.4557 4.4762 4.4762 4.5427 4.5427 5.5200 5.5200 5.7510 5.7510 6.7158 6.7158 6.7252 6.7252 7.0015 7.0015 7.0240 7.0240 7.3407 7.3407 7.6023 7.6023 7.6188 7.6188 7.7880 7.7880 7.7987 7.7987 9.8261 9.8261 13.7800 13.7800 14.6051 14.6051 15.1731 15.1731 17.0018 17.0018 17.3387 17.3387 17.3429 17.3429 k = 0.0625 0.0307 0.0206 ( 4095 PWs) bands (ev): -11.4095 -11.4095 -9.2024 -9.2024 -9.1997 -9.1997 -9.1834 -9.1834 -8.3611 -8.3611 -8.3567 -8.3567 -0.8786 -0.8786 0.6493 0.6493 1.1886 1.1886 1.2664 1.2664 1.3678 1.3678 1.4095 1.4095 1.7804 1.7804 1.9740 1.9740 2.0356 2.0356 2.0728 2.0728 2.1898 2.1898 2.3354 2.3354 3.2476 3.2476 3.4122 3.4122 3.4445 3.4445 4.4703 4.4703 4.5341 4.5341 5.5414 5.5414 5.7272 5.7272 6.7336 6.7336 6.7430 6.7430 6.9942 6.9942 7.0177 7.0177 7.3987 7.3987 7.6200 7.6200 7.6366 7.6366 7.7759 7.7759 7.7857 7.7857 9.7635 9.7635 13.7710 13.7710 14.6526 14.6526 15.1523 15.1523 16.9986 16.9986 17.3424 17.3424 17.3481 17.3481 k = 0.0469 0.0230 0.0154 ( 4089 PWs) bands (ev): -11.4118 -11.4118 -9.1991 -9.1991 -9.1980 -9.1980 -9.1826 -9.1826 -8.3622 -8.3622 -8.3578 -8.3578 -0.8778 -0.8778 0.6391 0.6391 1.1913 1.1913 1.2790 1.2790 1.3659 1.3659 1.3979 1.3979 1.7826 1.7826 1.9833 1.9833 2.0464 2.0464 2.0685 2.0685 2.1776 2.1776 2.3333 2.3333 3.2517 3.2517 3.4047 3.4047 3.4357 3.4357 4.4656 4.4656 4.5273 4.5273 5.5631 5.5631 5.7033 5.7033 6.7485 6.7485 6.7581 6.7581 6.9876 6.9876 7.0120 7.0120 7.4465 7.4465 7.6372 7.6372 7.6544 7.6544 7.7630 7.7630 7.7718 7.7718 9.7123 9.7123 13.7639 13.7639 14.6935 14.6935 15.1324 15.1324 16.9963 16.9963 17.3424 17.3424 17.3556 17.3556 k = 0.0312 0.0153 0.0103 ( 4089 PWs) bands (ev): -11.4134 -11.4134 -9.1984 -9.1984 -9.1951 -9.1951 -9.1820 -9.1820 -8.3630 -8.3630 -8.3586 -8.3586 -0.8771 -0.8771 0.6317 0.6317 1.1933 1.1933 1.2902 1.2902 1.3643 1.3643 1.3874 1.3874 1.7844 1.7844 1.9909 1.9909 2.0558 2.0558 2.0645 2.0645 2.1667 2.1667 2.3325 2.3325 3.2545 3.2545 3.3993 3.3993 3.4295 3.4295 4.4621 4.4621 4.5223 4.5223 5.5852 5.5852 5.6797 5.6797 6.7597 6.7597 6.7696 6.7696 6.9822 6.9822 7.0075 7.0075 7.4822 7.4822 7.6529 7.6529 7.6713 7.6713 7.7503 7.7503 7.7575 7.7575 9.6742 9.6742 13.7587 13.7587 14.7257 14.7257 15.1154 15.1154 16.9947 16.9947 17.3426 17.3426 17.3612 17.3612 k = 0.0156 0.0077 0.0051 ( 4101 PWs) bands (ev): -11.4143 -11.4143 -9.1980 -9.1980 -9.1933 -9.1933 -9.1816 -9.1816 -8.3634 -8.3634 -8.3591 -8.3591 -0.8768 -0.8768 0.6273 0.6273 1.1944 1.1944 1.2985 1.2985 1.3633 1.3633 1.3793 1.3793 1.7855 1.7855 1.9960 1.9960 2.0614 2.0614 2.0624 2.0624 2.1589 2.1589 2.3322 2.3322 3.2561 3.2561 3.3960 3.3960 3.4257 3.4257 4.4600 4.4600 4.5192 4.5192 5.6072 5.6072 5.6566 5.6566 6.7667 6.7667 6.7769 6.7769 6.9786 6.9786 7.0045 7.0045 7.5044 7.5044 7.6653 7.6653 7.6856 7.6856 7.7397 7.7397 7.7447 7.7447 9.6507 9.6507 13.7556 13.7556 14.7468 14.7468 15.1036 15.1036 16.9938 16.9938 17.3428 17.3428 17.3646 17.3646 k = 0.0000 0.0000 0.0000 ( 4101 PWs) bands (ev): -11.4147 -11.4147 -9.1979 -9.1979 -9.1927 -9.1927 -9.1815 -9.1815 -8.3636 -8.3636 -8.3592 -8.3592 -0.8766 -0.8766 0.6258 0.6258 1.1948 1.1948 1.3017 1.3017 1.3630 1.3630 1.3762 1.3762 1.7859 1.7859 1.9978 1.9978 2.0603 2.0603 2.0649 2.0649 2.1560 2.1560 2.3322 2.3322 3.2566 3.2566 3.3949 3.3949 3.4245 3.4245 4.4593 4.4593 4.5182 4.5182 5.6235 5.6235 5.6400 5.6400 6.7691 6.7691 6.7794 6.7794 6.9774 6.9774 7.0034 7.0034 7.5119 7.5119 7.6704 7.6704 7.6922 7.6922 7.7352 7.7352 7.7386 7.7386 9.6427 9.6427 13.7546 13.7546 14.7541 14.7541 15.0993 15.0993 16.9935 16.9935 17.3429 17.3429 17.3657 17.3657 k = 0.0000 0.0000 0.0000 ( 4101 PWs) bands (ev): -11.4147 -11.4147 -9.1979 -9.1979 -9.1927 -9.1927 -9.1815 -9.1815 -8.3636 -8.3636 -8.3592 -8.3592 -0.8766 -0.8766 0.6258 0.6258 1.1948 1.1948 1.3017 1.3017 1.3630 1.3630 1.3762 1.3762 1.7859 1.7859 1.9978 1.9978 2.0603 2.0603 2.0649 2.0649 2.1560 2.1560 2.3322 2.3322 3.2566 3.2566 3.3949 3.3949 3.4245 3.4245 4.4593 4.4593 4.5182 4.5182 5.6235 5.6235 5.6400 5.6400 6.7691 6.7691 6.7794 6.7794 6.9774 6.9774 7.0034 7.0034 7.5119 7.5119 7.6704 7.6704 7.6922 7.6922 7.7352 7.7352 7.7386 7.7386 9.6427 9.6427 13.7546 13.7546 14.7541 14.7541 15.0993 15.0993 16.9935 16.9935 17.3429 17.3429 17.3657 17.3657 k = 0.0081-0.0062-0.0152 ( 4101 PWs) bands (ev): -11.4139 -11.4139 -9.2006 -9.2006 -9.1918 -9.1918 -9.1810 -9.1810 -8.3637 -8.3637 -8.3593 -8.3593 -0.8751 -0.8751 0.6258 0.6258 1.1944 1.1944 1.3014 1.3014 1.3552 1.3552 1.3850 1.3850 1.7850 1.7850 1.9974 1.9974 2.0593 2.0593 2.0666 2.0666 2.1571 2.1571 2.3319 2.3319 3.2570 3.2570 3.3950 3.3950 3.4245 3.4245 4.4586 4.4586 4.5174 4.5174 5.6260 5.6260 5.6437 5.6437 6.7675 6.7675 6.7777 6.7777 6.9749 6.9749 7.0014 7.0014 7.5091 7.5091 7.6683 7.6683 7.6888 7.6888 7.7367 7.7367 7.7398 7.7398 9.6502 9.6502 13.7551 13.7551 14.7560 14.7560 15.0977 15.0977 16.9835 16.9835 17.2917 17.2917 17.4194 17.4194 k = 0.0161-0.0124-0.0303 ( 4093 PWs) bands (ev): -11.4117 -11.4117 -9.2056 -9.2056 -9.1926 -9.1926 -9.1787 -9.1787 -8.3641 -8.3641 -8.3596 -8.3596 -0.8703 -0.8703 0.6257 0.6257 1.1932 1.1932 1.3001 1.3001 1.3448 1.3448 1.3985 1.3985 1.7824 1.7824 1.9964 1.9964 2.0565 2.0565 2.0715 2.0715 2.1603 2.1603 2.3312 2.3312 3.2582 3.2582 3.3944 3.3944 3.4255 3.4255 4.4556 4.4556 4.5161 4.5161 5.6336 5.6336 5.6548 5.6548 6.7626 6.7626 6.7729 6.7729 6.9657 6.9657 6.9971 6.9971 7.5009 7.5009 7.6625 7.6625 7.6804 7.6804 7.7376 7.7376 7.7453 7.7453 9.6724 9.6724 13.7565 13.7565 14.7616 14.7616 15.0929 15.0929 16.9529 16.9529 17.2426 17.2426 17.4493 17.4493 k = 0.0242-0.0187-0.0455 ( 4097 PWs) bands (ev): -11.4079 -11.4079 -9.2122 -9.2122 -9.1961 -9.1961 -9.1748 -9.1748 -8.3650 -8.3650 -8.3597 -8.3597 -0.8625 -0.8625 0.6257 0.6257 1.1911 1.1911 1.2967 1.2967 1.3370 1.3370 1.4127 1.4127 1.7779 1.7779 1.9957 1.9957 2.0521 2.0521 2.0785 2.0785 2.1653 2.1653 2.3300 2.3300 3.2599 3.2599 3.3913 3.3913 3.4297 3.4297 4.4483 4.4483 4.5166 4.5166 5.6460 5.6460 5.6726 5.6726 6.7541 6.7541 6.7648 6.7648 6.9470 6.9470 6.9937 6.9937 7.4874 7.4874 7.6535 7.6535 7.6693 7.6693 7.7379 7.7379 7.7529 7.7529 9.7085 9.7085 13.7587 13.7587 14.7709 14.7709 15.0850 15.0850 16.9033 16.9033 17.2078 17.2078 17.4472 17.4472 k = 0.0322-0.0249-0.0607 ( 4099 PWs) bands (ev): -11.4027 -11.4027 -9.2205 -9.2205 -9.2009 -9.2009 -9.1699 -9.1699 -8.3667 -8.3667 -8.3595 -8.3595 -0.8517 -0.8517 0.6256 0.6256 1.1882 1.1882 1.2902 1.2902 1.3332 1.3332 1.4271 1.4271 1.7715 1.7715 1.9962 1.9962 2.0467 2.0467 2.0867 2.0867 2.1718 2.1718 2.3285 2.3285 3.2616 3.2616 3.3848 3.3848 3.4383 3.4383 4.4352 4.4352 4.5211 4.5211 5.6628 5.6628 5.6965 5.6965 6.7415 6.7415 6.7538 6.7538 6.9194 6.9194 6.9911 6.9911 7.4691 7.4691 7.6416 7.6416 7.6576 7.6576 7.7380 7.7380 7.7609 7.7609 9.7572 9.7572 13.7616 13.7616 14.7837 14.7837 15.0740 15.0740 16.8396 16.8396 17.1848 17.1848 17.4384 17.4384 k = 0.0403-0.0311-0.0759 ( 4103 PWs) bands (ev): -11.3959 -11.3959 -9.2313 -9.2313 -9.2062 -9.2062 -9.1645 -9.1645 -8.3691 -8.3691 -8.3590 -8.3590 -0.8379 -0.8379 0.6256 0.6256 1.1845 1.1845 1.2813 1.2813 1.3330 1.3330 1.4414 1.4414 1.7634 1.7634 1.9977 1.9977 2.0413 2.0413 2.0955 2.0955 2.1794 2.1794 2.3267 2.3267 3.2627 3.2627 3.3764 3.3764 3.4510 3.4510 4.4165 4.4165 4.5300 4.5300 5.6834 5.6834 5.7258 5.7258 6.7231 6.7231 6.7403 6.7403 6.8856 6.8856 6.9884 6.9884 7.4465 7.4465 7.6266 7.6266 7.6467 7.6467 7.7379 7.7379 7.7688 7.7688 9.8172 9.8172 13.7648 13.7648 14.7997 14.7997 15.0599 15.0599 16.7679 16.7679 17.1690 17.1690 17.4267 17.4267 k = 0.0483-0.0373-0.0910 ( 4107 PWs) bands (ev): -11.3877 -11.3877 -9.2448 -9.2448 -9.2115 -9.2115 -9.1586 -9.1586 -8.3723 -8.3723 -8.3582 -8.3582 -0.8211 -0.8211 0.6256 0.6256 1.1800 1.1800 1.2713 1.2713 1.3349 1.3349 1.4555 1.4555 1.7540 1.7540 1.9996 1.9996 2.0372 2.0372 2.1043 2.1043 2.1879 2.1879 2.3246 2.3246 3.2617 3.2617 3.3677 3.3677 3.4673 3.4673 4.3934 4.3934 4.5429 4.5429 5.7071 5.7071 5.7594 5.7594 6.6961 6.6961 6.7251 6.7251 6.8495 6.8495 6.9847 6.9847 7.4205 7.4205 7.6088 7.6088 7.6371 7.6371 7.7379 7.7379 7.7765 7.7765 9.8869 9.8869 13.7682 13.7682 14.8184 14.8184 15.0430 15.0430 16.6932 16.6932 17.1568 17.1568 17.4132 17.4132 k = 0.0564-0.0436-0.1062 ( 4103 PWs) bands (ev): -11.3780 -11.3780 -9.2609 -9.2609 -9.2167 -9.2167 -9.1523 -9.1523 -8.3762 -8.3762 -8.3572 -8.3572 -0.8016 -0.8016 0.6256 0.6256 1.1746 1.1746 1.2615 1.2615 1.3380 1.3380 1.4693 1.4693 1.7435 1.7435 2.0001 2.0001 2.0364 2.0364 2.1130 2.1130 2.1972 2.1972 2.3226 2.3226 3.2573 3.2573 3.3610 3.3610 3.4869 3.4869 4.3671 4.3671 4.5592 4.5592 5.7328 5.7328 5.7964 5.7964 6.6577 6.6577 6.7083 6.7083 6.8156 6.8156 6.9794 6.9794 7.3916 7.3916 7.5890 7.5890 7.6288 7.6288 7.7378 7.7378 7.7838 7.7838 9.9649 9.9649 13.7714 13.7714 14.8395 14.8395 15.0233 15.0233 16.6185 16.6185 17.1461 17.1461 17.3986 17.3986 k = 0.0644-0.0498-0.1214 ( 4111 PWs) bands (ev): -11.3669 -11.3669 -9.2795 -9.2795 -9.2218 -9.2218 -9.1456 -9.1456 -8.3807 -8.3807 -8.3560 -8.3560 -0.7794 -0.7794 0.6258 0.6258 1.1684 1.1684 1.2522 1.2522 1.3417 1.3417 1.4827 1.4827 1.7324 1.7324 1.9975 1.9975 2.0402 2.0402 2.1212 2.1212 2.2070 2.2070 2.3205 2.3205 3.2481 3.2481 3.3580 3.3580 3.5094 3.5094 4.3387 4.3387 4.5786 4.5786 5.7593 5.7593 5.8360 5.8360 6.6069 6.6069 6.6901 6.6901 6.7869 6.7869 6.9721 6.9721 7.3607 7.3607 7.5681 7.5681 7.6214 7.6214 7.7376 7.7376 7.7906 7.7906 10.0499 10.0499 13.7741 13.7741 14.8619 14.8619 15.0010 15.0010 16.5462 16.5462 17.1354 17.1354 17.3836 17.3836 k = 0.0725-0.0560-0.1366 ( 4105 PWs) bands (ev): -11.3543 -11.3543 -9.3003 -9.3003 -9.2270 -9.2270 -9.1385 -9.1385 -8.3860 -8.3860 -8.3547 -8.3547 -0.7547 -0.7547 0.6260 0.6260 1.1614 1.1614 1.2438 1.2438 1.3455 1.3455 1.4954 1.4954 1.7213 1.7213 1.9927 1.9927 2.0479 2.0479 2.1292 2.1292 2.2173 2.2173 2.3187 2.3187 3.2340 3.2340 3.3591 3.3591 3.5348 3.5348 4.3089 4.3089 4.6009 4.6009 5.7850 5.7850 5.8770 5.8770 6.5461 6.5461 6.6707 6.6707 6.7638 6.7638 6.9622 6.9622 7.3281 7.3281 7.5467 7.5467 7.6147 7.6147 7.7375 7.7375 7.7969 7.7969 10.1406 10.1406 13.7761 13.7761 14.8848 14.8848 14.9764 14.9764 16.4782 16.4782 17.1242 17.1242 17.3687 17.3687 k = 0.0806-0.0622-0.1517 ( 4109 PWs) bands (ev): -11.3403 -11.3403 -9.3233 -9.3233 -9.2323 -9.2323 -9.1309 -9.1309 -8.3920 -8.3920 -8.3532 -8.3532 -0.7276 -0.7276 0.6264 0.6264 1.1535 1.1535 1.2365 1.2365 1.3492 1.3492 1.5072 1.5072 1.7108 1.7108 1.9869 1.9869 2.0577 2.0577 2.1366 2.1366 2.2279 2.2279 2.3174 2.3174 3.2159 3.2159 3.3637 3.3637 3.5626 3.5626 4.2784 4.2784 4.6258 4.6258 5.8077 5.8077 5.9182 5.9182 6.4794 6.4794 6.6503 6.6503 6.7453 6.7453 6.9493 6.9493 7.2946 7.2946 7.5255 7.5255 7.6085 7.6085 7.7372 7.7372 7.8026 7.8026 10.2360 10.2360 13.7772 13.7772 14.9064 14.9064 14.9498 14.9498 16.4163 16.4163 17.1118 17.1118 17.3543 17.3543 k = 0.0886-0.0684-0.1669 ( 4109 PWs) bands (ev): -11.3249 -11.3249 -9.3483 -9.3483 -9.2377 -9.2377 -9.1229 -9.1229 -8.3987 -8.3987 -8.3516 -8.3516 -0.6983 -0.6983 0.6269 0.6269 1.1450 1.1450 1.2302 1.2302 1.3527 1.3527 1.5178 1.5178 1.7014 1.7014 1.9811 1.9811 2.0686 2.0686 2.1436 2.1436 2.2386 2.2386 2.3170 2.3170 3.1952 3.1952 3.3710 3.3710 3.5929 3.5929 4.2477 4.2477 4.6531 4.6531 5.8244 5.8244 5.9580 5.9580 6.4121 6.4121 6.6290 6.6290 6.7306 6.7306 6.9329 6.9329 7.2609 7.2609 7.5048 7.5048 7.6027 7.6027 7.7368 7.7368 7.8077 7.8077 10.3354 10.3354 13.7772 13.7772 14.9147 14.9147 14.9323 14.9323 16.3621 16.3621 17.0982 17.0982 17.3406 17.3406 k = 0.0967-0.0747-0.1821 ( 4107 PWs) bands (ev): -11.3082 -11.3082 -9.3751 -9.3751 -9.2432 -9.2432 -9.1144 -9.1144 -8.4061 -8.4061 -8.3499 -8.3499 -0.6670 -0.6670 0.6275 0.6275 1.1361 1.1361 1.2247 1.2247 1.3556 1.3556 1.5271 1.5271 1.6935 1.6935 1.9760 1.9760 2.0799 2.0799 2.1501 2.1501 2.2489 2.2489 2.3182 2.3182 3.1729 3.1729 3.3801 3.3801 3.6253 3.6253 4.2172 4.2172 4.6827 4.6827 5.8313 5.8313 5.9941 5.9941 6.3505 6.3505 6.6073 6.6073 6.7196 6.7196 6.9128 6.9128 7.2280 7.2280 7.4849 7.4849 7.5972 7.5972 7.7362 7.7362 7.8121 7.8121 10.4378 10.4378 13.7760 13.7760 14.8865 14.8865 14.9454 14.9454 16.3173 16.3173 17.0836 17.0836 17.3276 17.3276 k = 0.1047-0.0809-0.1973 ( 4113 PWs) bands (ev): -11.2901 -11.2901 -9.4036 -9.4036 -9.2489 -9.2489 -9.1055 -9.1055 -8.4143 -8.4143 -8.3481 -8.3481 -0.6338 -0.6338 0.6283 0.6283 1.1269 1.1269 1.2200 1.2200 1.3580 1.3580 1.5348 1.5348 1.6874 1.6874 1.9716 1.9716 2.0908 2.0908 2.1560 2.1560 2.2578 2.2578 2.3220 2.3220 3.1499 3.1499 3.3904 3.3904 3.6595 3.6595 4.1874 4.1874 4.7143 4.7143 5.8233 5.8233 6.0222 6.0222 6.3028 6.3028 6.5853 6.5853 6.7123 6.7123 6.8887 6.8887 7.1967 7.1967 7.4658 7.4658 7.5918 7.5918 7.7355 7.7355 7.8159 7.8159 10.5429 10.5429 13.7735 13.7735 14.8535 14.8535 14.9559 14.9559 16.2833 16.2833 17.0681 17.0681 17.3151 17.3151 k = 0.1128-0.0871-0.2124 ( 4107 PWs) bands (ev): -11.2706 -11.2706 -9.4336 -9.4336 -9.2548 -9.2548 -9.0962 -9.0962 -8.4231 -8.4231 -8.3462 -8.3462 -0.5991 -0.5991 0.6292 0.6292 1.1176 1.1176 1.2158 1.2158 1.3599 1.3599 1.5409 1.5409 1.6836 1.6836 1.9685 1.9685 2.1013 2.1013 2.1614 2.1614 2.2647 2.2647 2.3293 2.3293 3.1271 3.1271 3.4016 3.4016 3.6955 3.6955 4.1585 4.1585 4.7476 4.7476 5.7955 5.7955 6.0375 6.0375 6.2779 6.2779 6.5636 6.5636 6.7086 6.7086 6.8614 6.8614 7.1678 7.1678 7.4477 7.4477 7.5864 7.5864 7.7345 7.7345 7.8189 7.8189 10.6499 10.6499 13.7697 13.7697 14.8184 14.8184 14.9600 14.9600 16.2611 16.2611 17.0524 17.0524 17.3028 17.3028 k = 0.1208-0.0933-0.2276 ( 4111 PWs) bands (ev): -11.2499 -11.2499 -9.4650 -9.4650 -9.2608 -9.2608 -9.0865 -9.0865 -8.4326 -8.4326 -8.3442 -8.3442 -0.5629 -0.5629 0.6302 0.6302 1.1083 1.1083 1.2120 1.2120 1.3610 1.3610 1.5454 1.5454 1.6817 1.6817 1.9664 1.9664 2.1109 2.1109 2.1660 2.1660 2.2688 2.2688 2.3407 2.3407 3.1050 3.1050 3.4135 3.4135 3.7327 3.7327 4.1310 4.1310 4.7825 4.7825 5.7464 5.7464 6.0379 6.0379 6.2780 6.2780 6.5429 6.5429 6.7072 6.7072 6.8325 6.8325 7.1422 7.1422 7.4304 7.4304 7.5811 7.5811 7.7334 7.7334 7.8211 7.8211 10.7585 10.7585 13.7646 13.7646 14.7815 14.7815 14.9563 14.9563 16.2512 16.2512 17.0372 17.0372 17.2901 17.2901 k = 0.1289-0.0995-0.2428 ( 4119 PWs) bands (ev): -11.2279 -11.2279 -9.4977 -9.4977 -9.2670 -9.2670 -9.0763 -9.0763 -8.4429 -8.4429 -8.3421 -8.3421 -0.5255 -0.5255 0.6312 0.6312 1.0991 1.0991 1.2086 1.2086 1.3615 1.3615 1.5486 1.5486 1.6818 1.6818 1.9656 1.9656 2.1196 2.1196 2.1700 2.1700 2.2709 2.2709 2.3555 2.3555 3.0842 3.0842 3.4260 3.4260 3.7708 3.7708 4.1051 4.1051 4.8184 4.8184 5.6794 5.6794 6.0267 6.0267 6.2949 6.2949 6.5241 6.5241 6.7047 6.7047 6.8066 6.8066 7.1201 7.1201 7.4140 7.4140 7.5757 7.5757 7.7320 7.7320 7.8226 7.8226 10.8683 10.8683 13.7583 13.7583 14.7431 14.7431 14.9445 14.9445 16.2531 16.2531 17.0232 17.0232 17.2768 17.2768 k = 0.1369-0.1058-0.2580 ( 4119 PWs) bands (ev): -11.2047 -11.2047 -9.5315 -9.5315 -9.2734 -9.2734 -9.0658 -9.0658 -8.4537 -8.4537 -8.3400 -8.3400 -0.4872 -0.4872 0.6323 0.6323 1.0901 1.0901 1.2055 1.2055 1.3616 1.3616 1.5510 1.5510 1.6833 1.6833 1.9661 1.9661 2.1273 2.1273 2.1735 2.1735 2.2717 2.2717 2.3727 2.3727 3.0653 3.0653 3.4388 3.4388 3.8091 3.8091 4.0815 4.0815 4.8551 4.8551 5.6000 5.6000 6.0072 6.0072 6.3179 6.3179 6.5088 6.5088 6.6938 6.6938 6.7918 6.7918 7.1020 7.1020 7.3982 7.3982 7.5703 7.5703 7.7304 7.7304 7.8233 7.8233 10.9791 10.9791 13.7509 13.7509 14.7031 14.7031 14.9251 14.9251 16.2656 16.2656 17.0113 17.0113 17.2625 17.2625 k = 0.1450-0.1120-0.2731 ( 4123 PWs) bands (ev): -11.1802 -11.1802 -9.5662 -9.5662 -9.2799 -9.2799 -9.0549 -9.0549 -8.4652 -8.4652 -8.3378 -8.3378 -0.4482 -0.4482 0.6334 0.6334 1.0813 1.0813 1.2027 1.2027 1.3613 1.3613 1.5528 1.5528 1.6859 1.6859 1.9675 1.9675 2.1337 2.1337 2.1763 2.1763 2.2720 2.2720 2.3914 2.3914 3.0489 3.0489 3.4519 3.4519 3.8464 3.8464 4.0612 4.0612 4.8919 4.8919 5.5132 5.5132 5.9808 5.9808 6.3379 6.3379 6.4991 6.4991 6.6716 6.6716 6.7920 6.7920 7.0881 7.0881 7.3831 7.3831 7.5647 7.5647 7.7287 7.7287 7.8233 7.8233 11.0905 11.0905 13.7424 13.7424 14.6618 14.6618 14.8990 14.8990 16.2865 16.2865 17.0024 17.0024 17.2468 17.2468 k = 0.1530-0.1182-0.2883 ( 4123 PWs) bands (ev): -11.1547 -11.1547 -9.6018 -9.6018 -9.2865 -9.2865 -9.0437 -9.0437 -8.4773 -8.4773 -8.3356 -8.3356 -0.4086 -0.4086 0.6343 0.6343 1.0728 1.0728 1.2002 1.2002 1.3609 1.3609 1.5544 1.5544 1.6892 1.6892 1.9699 1.9699 2.1389 2.1389 2.1786 2.1786 2.2725 2.2725 2.4108 2.4108 3.0356 3.0356 3.4651 3.4651 3.8804 3.8804 4.0465 4.0465 4.9284 4.9284 5.4224 5.4224 5.9477 5.9477 6.3489 6.3489 6.4949 6.4949 6.6467 6.6467 6.8016 6.8016 7.0792 7.0792 7.3684 7.3684 7.5591 7.5591 7.7268 7.7268 7.8225 7.8225 11.2023 11.2023 13.7331 13.7331 14.6190 14.6190 14.8674 14.8674 16.3128 16.3128 16.9977 16.9977 17.2299 17.2299 k = 0.1611-0.1244-0.3035 ( 4129 PWs) bands (ev): -11.1280 -11.1280 -9.6381 -9.6381 -9.2933 -9.2933 -9.0322 -9.0322 -8.4900 -8.4900 -8.3333 -8.3333 -0.3689 -0.3689 0.6351 0.6351 1.0647 1.0647 1.1980 1.1980 1.3606 1.3606 1.5559 1.5559 1.6928 1.6928 1.9730 1.9730 2.1425 2.1425 2.1804 2.1804 2.2737 2.2737 2.4300 2.4300 3.0259 3.0259 3.4785 3.4785 3.9061 3.9061 4.0422 4.0422 4.9638 4.9638 5.3301 5.3301 5.9083 5.9083 6.3495 6.3495 6.4893 6.4893 6.6315 6.6315 6.8140 6.8140 7.0759 7.0759 7.3541 7.3541 7.5533 7.5533 7.7248 7.7248 7.8209 7.8209 11.3144 11.3144 13.7231 13.7231 14.5750 14.5750 14.8318 14.8318 16.3414 16.3414 16.9975 16.9975 17.2125 17.2125 k = 0.1692-0.1307-0.3187 ( 4125 PWs) bands (ev): -11.1003 -11.1003 -9.6751 -9.6751 -9.3001 -9.3001 -9.0204 -9.0204 -8.5032 -8.5032 -8.3310 -8.3310 -0.3292 -0.3292 0.6356 0.6356 1.0572 1.0572 1.1962 1.1962 1.3606 1.3606 1.5576 1.5576 1.6967 1.6967 1.9766 1.9766 2.1445 2.1445 2.1817 2.1817 2.2760 2.2760 2.4486 2.4486 3.0206 3.0206 3.4918 3.4918 3.9173 3.9173 4.0540 4.0540 4.9971 4.9971 5.2382 5.2382 5.8628 5.8628 6.3431 6.3431 6.4723 6.4723 6.6347 6.6347 6.8254 6.8254 7.0790 7.0790 7.3402 7.3402 7.5475 7.5475 7.7228 7.7228 7.8187 7.8187 11.4265 11.4265 13.7125 13.7125 14.5298 14.5298 14.7936 14.7936 16.3689 16.3689 17.0016 17.0016 17.1964 17.1964 k = 0.1772-0.1369-0.3338 ( 4119 PWs) bands (ev): -11.0716 -11.0716 -9.7125 -9.7125 -9.3070 -9.3070 -9.0084 -9.0084 -8.5169 -8.5169 -8.3287 -8.3287 -0.2897 -0.2897 0.6357 0.6357 1.0503 1.0503 1.1947 1.1947 1.3609 1.3609 1.5593 1.5593 1.7006 1.7006 1.9806 1.9806 2.1449 2.1449 2.1825 2.1825 2.2796 2.2796 2.4659 2.4659 3.0201 3.0201 3.5048 3.5048 3.9148 3.9148 4.0814 4.0814 5.0263 5.0263 5.1492 5.1492 5.8121 5.8121 6.3336 6.3336 6.4441 6.4441 6.6531 6.6531 6.8338 6.8338 7.0885 7.0885 7.3266 7.3266 7.5415 7.5415 7.7210 7.7210 7.8157 7.8157 11.5385 11.5385 13.7016 13.7016 14.4834 14.4834 14.7541 14.7541 16.3926 16.3926 17.0067 17.0067 17.1858 17.1858 k = 0.1853-0.1431-0.3490 ( 4119 PWs) bands (ev): -11.0420 -11.0420 -9.7502 -9.7502 -9.3139 -9.3139 -8.9962 -8.9962 -8.5311 -8.5311 -8.3264 -8.3264 -0.2507 -0.2507 0.6354 0.6354 1.0441 1.0441 1.1936 1.1936 1.3618 1.3618 1.5611 1.5611 1.7044 1.7044 1.9845 1.9845 2.1435 2.1435 2.1830 2.1830 2.2846 2.2846 2.4815 2.4815 3.0250 3.0250 3.5173 3.5173 3.9049 3.9049 4.1177 4.1177 5.0328 5.0328 5.0822 5.0822 5.7566 5.7566 6.3234 6.3234 6.4109 6.4109 6.6783 6.6783 6.8393 6.8393 7.1035 7.1035 7.3132 7.3132 7.5355 7.5355 7.7193 7.7193 7.8121 7.8121 11.6502 11.6502 13.6906 13.6906 14.4360 14.4360 14.7141 14.7141 16.4102 16.4102 17.0061 17.0061 17.1882 17.1882 k = 0.1933-0.1493-0.3642 ( 4119 PWs) bands (ev): -11.0114 -11.0114 -9.7883 -9.7883 -9.3208 -9.3208 -8.9838 -8.9838 -8.5457 -8.5457 -8.3241 -8.3241 -0.2124 -0.2124 0.6344 0.6344 1.0388 1.0388 1.1929 1.1929 1.3633 1.3633 1.5629 1.5629 1.7079 1.7079 1.9884 1.9884 2.1405 2.1405 2.1835 2.1835 2.2910 2.2910 2.4951 2.4951 3.0354 3.0354 3.5290 3.5290 3.8923 3.8923 4.1580 4.1580 4.9639 4.9639 5.0896 5.0896 5.6974 5.6974 6.3133 6.3133 6.3778 6.3778 6.7041 6.7041 6.8433 6.8433 7.1227 7.1227 7.3001 7.3001 7.5296 7.5296 7.7181 7.7181 7.8080 7.8080 11.7617 11.7617 13.6795 13.6795 14.3879 14.3879 14.6746 14.6746 16.4210 16.4210 16.9929 16.9929 17.2099 17.2099 k = 0.2014-0.1555-0.3793 ( 4127 PWs) bands (ev): -10.9801 -10.9801 -9.8265 -9.8265 -9.3277 -9.3277 -8.9713 -8.9713 -8.5606 -8.5606 -8.3219 -8.3219 -0.1751 -0.1751 0.6328 0.6328 1.0346 1.0346 1.1926 1.1926 1.3653 1.3653 1.5647 1.5647 1.7112 1.7112 1.9920 1.9920 2.1361 2.1361 2.1839 2.1839 2.2984 2.2984 2.5066 2.5066 3.0514 3.0514 3.5392 3.5392 3.8795 3.8795 4.2000 4.2000 4.8842 4.8842 5.1067 5.1067 5.6354 5.6354 6.3006 6.3006 6.3505 6.3505 6.7261 6.7261 6.8481 6.8481 7.1440 7.1440 7.2873 7.2873 7.5237 7.5237 7.7173 7.7173 7.8033 7.8033 11.8727 11.8727 13.6687 13.6687 14.3391 14.3391 14.6360 14.6360 16.4249 16.4249 16.9670 16.9670 17.2497 17.2497 k = 0.2094-0.1618-0.3945 ( 4127 PWs) bands (ev): -10.9480 -10.9480 -9.8647 -9.8647 -9.3345 -9.3345 -8.9587 -8.9587 -8.5759 -8.5759 -8.3196 -8.3196 -0.1390 -0.1390 0.6305 0.6305 1.0314 1.0314 1.1927 1.1927 1.3681 1.3681 1.5664 1.5664 1.7143 1.7143 1.9952 1.9952 2.1306 2.1306 2.1846 2.1846 2.3067 2.3067 2.5162 2.5162 3.0728 3.0728 3.5473 3.5473 3.8677 3.8677 4.2427 4.2427 4.8080 4.8080 5.1190 5.1190 5.5717 5.5717 6.2795 6.2795 6.3365 6.3365 6.7413 6.7413 6.8567 6.8567 7.1658 7.1658 7.2749 7.2749 7.5179 7.5179 7.7171 7.7171 7.7981 7.7981 11.9831 11.9831 13.6584 13.6584 14.2899 14.2899 14.5987 14.5987 16.4227 16.4227 16.9321 16.9321 17.3024 17.3024 k = 0.2175-0.1680-0.4097 ( 4127 PWs) bands (ev): -10.9152 -10.9152 -9.9029 -9.9029 -9.3412 -9.3412 -8.9461 -8.9461 -8.5914 -8.5914 -8.3174 -8.3174 -0.1042 -0.1042 0.6273 0.6273 1.0295 1.0295 1.1933 1.1933 1.3714 1.3714 1.5679 1.5679 1.7170 1.7170 1.9978 1.9978 2.1243 2.1243 2.1856 2.1856 2.3158 2.3158 2.5242 2.5242 3.0992 3.0992 3.5525 3.5525 3.8582 3.8582 4.2851 4.2851 4.7368 4.7368 5.1244 5.1244 5.5077 5.5077 6.2510 6.2510 6.3356 6.3356 6.7481 6.7481 6.8701 6.8701 7.1863 7.1863 7.2632 7.2632 7.5125 7.5125 7.7178 7.7178 7.7927 7.7927 12.0928 12.0928 13.6486 13.6486 14.2407 14.2407 14.5631 14.5631 16.4153 16.4153 16.8912 16.8912 17.3626 17.3626 k = 0.2255-0.1742-0.4249 ( 4125 PWs) bands (ev): -10.8818 -10.8818 -9.9409 -9.9409 -9.3479 -9.3479 -8.9334 -8.9334 -8.6071 -8.6071 -8.3153 -8.3153 -0.0710 -0.0710 0.6233 0.6233 1.0287 1.0287 1.1943 1.1943 1.3753 1.3753 1.5692 1.5692 1.7193 1.7193 1.9996 1.9996 2.1179 2.1179 2.1869 2.1869 2.3254 2.3254 2.5308 2.5308 3.1302 3.1302 3.5536 3.5536 3.8519 3.8519 4.3269 4.3269 4.6717 4.6717 5.1209 5.1209 5.4455 5.4455 6.2206 6.2206 6.3427 6.3427 6.7481 6.7481 6.8869 6.8869 7.2039 7.2039 7.2530 7.2530 7.5074 7.5074 7.7193 7.7193 7.7872 7.7872 12.2018 12.2018 13.6397 13.6397 14.1918 14.1918 14.5293 14.5293 16.4037 16.4037 16.8464 16.8464 17.4265 17.4265 k = 0.2336-0.1804-0.4400 ( 4119 PWs) bands (ev): -10.8479 -10.8479 -9.9787 -9.9787 -9.3543 -9.3543 -8.9208 -8.9208 -8.6230 -8.6230 -8.3132 -8.3132 -0.0395 -0.0395 0.6183 0.6183 1.0292 1.0292 1.1957 1.1957 1.3798 1.3798 1.5703 1.5703 1.7213 1.7213 2.0006 2.0006 2.1117 2.1117 2.1885 2.1885 2.3353 2.3353 2.5366 2.5366 3.1650 3.1650 3.5498 3.5498 3.8497 3.8497 4.3676 4.3676 4.6132 4.6132 5.1068 5.1068 5.3872 5.3872 6.1906 6.1906 6.3555 6.3555 6.7436 6.7436 6.9044 6.9044 7.2153 7.2153 7.2468 7.2468 7.5028 7.5028 7.7217 7.7217 7.7816 7.7816 12.3098 12.3098 13.6317 13.6317 14.1433 14.1433 14.4974 14.4974 16.3887 16.3887 16.7990 16.7990 17.4908 17.4908 k = 0.2417-0.1866-0.4552 ( 4125 PWs) bands (ev): -10.8135 -10.8135 -10.0162 -10.0162 -9.3605 -9.3605 -8.9082 -8.9082 -8.6390 -8.6390 -8.3112 -8.3112 -0.0099 -0.0099 0.6124 0.6124 1.0308 1.0308 1.1975 1.1975 1.3845 1.3845 1.5709 1.5709 1.7227 1.7227 2.0003 2.0003 2.1062 2.1062 2.1904 2.1904 2.3453 2.3453 2.5419 2.5419 3.2030 3.2030 3.5408 3.5408 3.8521 3.8521 4.4067 4.4067 4.5618 4.5618 5.0800 5.0800 5.3356 5.3356 6.1620 6.1620 6.3730 6.3730 6.7365 6.7365 6.9208 6.9208 7.2159 7.2159 7.2487 7.2487 7.4989 7.4989 7.7248 7.7248 7.7764 7.7764 12.4168 12.4168 13.6250 13.6250 14.0957 14.0957 14.4674 14.4674 16.3706 16.3706 16.7502 16.7502 17.5526 17.5526 k = 0.2497-0.1929-0.4704 ( 4121 PWs) bands (ev): -10.7788 -10.7788 -10.0533 -10.0533 -9.3665 -9.3665 -8.8958 -8.8958 -8.6551 -8.6551 -8.3093 -8.3093 0.0177 0.0177 0.6056 0.6056 1.0335 1.0335 1.1999 1.1999 1.3895 1.3895 1.5713 1.5713 1.7237 1.7237 1.9990 1.9990 2.1016 2.1016 2.1928 2.1928 2.3554 2.3554 2.5472 2.5472 3.2434 3.2434 3.5269 3.5269 3.8593 3.8593 4.4432 4.4432 4.5183 4.5183 5.0399 5.0399 5.2922 5.2922 6.1350 6.1350 6.3943 6.3943 6.7278 6.7278 6.9348 6.9348 7.2094 7.2094 7.2548 7.2548 7.4957 7.4957 7.7285 7.7285 7.7717 7.7717 12.5225 12.5225 13.6195 13.6195 14.0492 14.0492 14.4392 14.4392 16.3497 16.3497 16.7010 16.7010 17.6097 17.6097 k = 0.2578-0.1991-0.4856 ( 4110 PWs) bands (ev): -10.7438 -10.7438 -10.0899 -10.0899 -9.3722 -9.3722 -8.8835 -8.8835 -8.6712 -8.6712 -8.3075 -8.3075 0.0434 0.0434 0.5977 0.5977 1.0371 1.0371 1.2028 1.2028 1.3946 1.3946 1.5715 1.5715 1.7242 1.7242 1.9965 1.9965 2.0985 2.0985 2.1955 2.1955 2.3654 2.3654 2.5526 2.5526 3.2851 3.2851 3.5094 3.5094 3.8708 3.8708 4.4666 4.4666 4.4928 4.4928 4.9881 4.9881 5.2563 5.2563 6.1100 6.1100 6.4186 6.4186 6.7181 6.7181 6.9457 6.9457 7.2012 7.2012 7.2596 7.2596 7.4934 7.4934 7.7323 7.7323 7.7681 7.7681 12.6268 12.6268 13.6155 13.6155 14.0041 14.0041 14.4130 14.4130 16.3261 16.3261 16.6524 16.6524 17.6601 17.6601 k = 0.2658-0.2053-0.5007 ( 4104 PWs) bands (ev): -10.7087 -10.7087 -10.1259 -10.1259 -9.3776 -9.3776 -8.8714 -8.8714 -8.6872 -8.6872 -8.3057 -8.3057 0.0669 0.0669 0.5887 0.5887 1.0415 1.0415 1.2061 1.2061 1.3997 1.3997 1.5715 1.5715 1.7242 1.7242 1.9930 1.9930 2.0967 2.0967 2.1986 2.1986 2.3751 2.3751 2.5585 2.5585 3.3259 3.3259 3.4910 3.4910 3.8859 3.8859 4.4446 4.4446 4.5167 4.5167 4.9280 4.9280 5.2259 5.2259 6.0869 6.0869 6.4449 6.4449 6.7079 6.7079 6.9532 6.9532 7.1930 7.1930 7.2616 7.2616 7.4920 7.4920 7.7355 7.7355 7.7662 7.7662 12.7293 12.7293 13.6133 13.6133 13.9608 13.9608 14.3886 14.3886 16.2995 16.2995 16.6057 16.6057 17.7030 17.7030 k = 0.2739-0.2115-0.5159 ( 4106 PWs) bands (ev): -10.6736 -10.6736 -10.1614 -10.1614 -9.3826 -9.3826 -8.8595 -8.8595 -8.7031 -8.7031 -8.3041 -8.3041 0.0883 0.0883 0.5785 0.5785 1.0464 1.0464 1.2101 1.2101 1.4045 1.4045 1.5714 1.5714 1.7236 1.7236 1.9887 1.9887 2.0961 2.0961 2.2021 2.2021 2.3844 2.3844 2.5650 2.5650 3.3606 3.3606 3.4778 3.4778 3.9037 3.9037 4.4209 4.4209 4.5455 4.5455 4.8631 4.8631 5.1988 5.1988 6.0659 6.0659 6.4725 6.4725 6.6972 6.6972 6.9573 6.9573 7.1849 7.1849 7.2606 7.2606 7.4915 7.4915 7.7375 7.7375 7.7665 7.7665 12.8296 12.8296 13.6128 13.6128 13.9196 13.9196 14.3660 14.3660 16.2695 16.2695 16.5618 16.5618 17.7382 17.7382 k = 0.2819-0.2178-0.5311 ( 4112 PWs) bands (ev): -10.6385 -10.6385 -10.1961 -10.1961 -9.3872 -9.3872 -8.8480 -8.8480 -8.7188 -8.7188 -8.3027 -8.3027 0.1075 0.1075 0.5671 0.5671 1.0516 1.0516 1.2147 1.2147 1.4088 1.4088 1.5716 1.5716 1.7223 1.7223 1.9840 1.9840 2.0964 2.0964 2.2061 2.2061 2.3930 2.3930 2.5726 2.5726 3.3760 3.3760 3.4838 3.4838 3.9235 3.9235 4.4023 4.4023 4.5708 4.5708 4.7966 4.7966 5.1738 5.1738 6.0470 6.0470 6.5002 6.5002 6.6862 6.6862 6.9584 6.9584 7.1769 7.1769 7.2567 7.2567 7.4918 7.4918 7.7382 7.7382 7.7690 7.7690 12.9270 12.9270 13.6146 13.6146 13.8810 13.8810 14.3451 14.3451 16.2359 16.2359 16.5218 16.5218 17.7664 17.7664 k = 0.2900-0.2240-0.5463 ( 4108 PWs) bands (ev): -10.6037 -10.6037 -10.2300 -10.2300 -9.3913 -9.3913 -8.8368 -8.8368 -8.7342 -8.7342 -8.3014 -8.3014 0.1248 0.1248 0.5543 0.5543 1.0571 1.0571 1.2201 1.2201 1.4126 1.4126 1.5722 1.5722 1.7206 1.7206 1.9792 1.9792 2.0974 2.0974 2.2107 2.2107 2.4006 2.4006 2.5814 2.5814 3.3670 3.3670 3.5149 3.5149 3.9447 3.9447 4.3887 4.3887 4.5896 4.5896 4.7323 4.7323 5.1507 5.1507 6.0302 6.0302 6.5272 6.5272 6.6752 6.6752 6.9568 6.9568 7.1687 7.1687 7.2506 7.2506 7.4930 7.4930 7.7382 7.7382 7.7728 7.7728 13.0206 13.0206 13.6188 13.6188 13.8457 13.8457 14.3260 14.3260 16.1987 16.1987 16.4863 16.4863 17.7888 17.7888 k = 0.2980-0.2302-0.5614 ( 4104 PWs) bands (ev): -10.5691 -10.5691 -10.2632 -10.2632 -9.3949 -9.3949 -8.8262 -8.8262 -8.7491 -8.7491 -8.3002 -8.3002 0.1401 0.1401 0.5401 0.5401 1.0626 1.0626 1.2261 1.2261 1.4156 1.4156 1.5735 1.5735 1.7182 1.7182 1.9746 1.9746 2.0989 2.0989 2.2158 2.2158 2.4071 2.4071 2.5917 2.5917 3.3470 3.3470 3.5581 3.5581 3.9665 3.9665 4.3794 4.3794 4.5917 4.5917 4.6808 4.6808 5.1298 5.1298 6.0153 6.0153 6.5520 6.5520 6.6645 6.6645 6.9532 6.9532 7.1598 7.1598 7.2425 7.2425 7.4950 7.4950 7.7382 7.7382 7.7772 7.7772 13.1090 13.1090 13.6261 13.6261 13.8145 13.8145 14.3086 14.3086 16.1582 16.1582 16.4556 16.4556 17.8066 17.8066 k = 0.3061-0.2364-0.5766 ( 4090 PWs) bands (ev): -10.5350 -10.5350 -10.2954 -10.2954 -9.3979 -9.3979 -8.8166 -8.8166 -8.7631 -8.7631 -8.2992 -8.2992 0.1535 0.1535 0.5245 0.5245 1.0681 1.0681 1.2330 1.2330 1.4178 1.4178 1.5758 1.5758 1.7155 1.7155 1.9704 1.9704 2.1007 2.1007 2.2217 2.2217 2.4121 2.4121 2.6039 2.6039 3.3243 3.3243 3.6057 3.6057 3.9884 3.9884 4.3737 4.3737 4.5573 4.5573 4.6628 4.6628 5.1120 5.1120 6.0022 6.0022 6.5724 6.5724 6.6558 6.6558 6.9481 6.9481 7.1498 7.1498 7.2329 7.2329 7.4978 7.4978 7.7386 7.7386 7.7816 7.7816 13.1899 13.1899 13.6371 13.6371 13.7889 13.7889 14.2929 14.2929 16.1151 16.1151 16.4294 16.4294 17.8208 17.8208 k = 0.3142-0.2426-0.5918 ( 4088 PWs) bands (ev): -10.5015 -10.5015 -10.3267 -10.3267 -9.4003 -9.4003 -8.8095 -8.8095 -8.7745 -8.7745 -8.2985 -8.2985 0.1650 0.1650 0.5073 0.5073 1.0735 1.0735 1.2404 1.2404 1.4189 1.4189 1.5791 1.5791 1.7122 1.7122 1.9667 1.9667 2.1023 2.1023 2.2282 2.2282 2.4152 2.4152 2.6180 2.6180 3.3018 3.3018 3.6548 3.6548 4.0097 4.0097 4.3693 4.3693 4.5029 4.5029 4.6633 4.6633 5.0984 5.0984 5.9908 5.9908 6.5844 6.5844 6.6522 6.6522 6.9419 6.9419 7.1386 7.1386 7.2223 7.2223 7.5014 7.5014 7.7395 7.7395 7.7857 7.7857 13.2601 13.2601 13.6522 13.6522 13.7717 13.7717 14.2788 14.2788 16.0703 16.0703 16.4072 16.4072 17.8323 17.8323 k = 0.3222-0.2489-0.6070 ( 4098 PWs) bands (ev): -10.4687 -10.4687 -10.3570 -10.3570 -9.4020 -9.4020 -8.8093 -8.8093 -8.7790 -8.7790 -8.2979 -8.2979 0.1748 0.1748 0.4886 0.4886 1.0786 1.0786 1.2483 1.2483 1.4192 1.4192 1.5836 1.5836 1.7085 1.7085 1.9636 1.9636 2.1037 2.1037 2.2353 2.2353 2.4165 2.4165 2.6341 2.6341 3.2806 3.2806 3.7043 3.7043 4.0296 4.0296 4.3604 4.3604 4.4527 4.4527 4.6638 4.6638 5.0900 5.0900 5.9808 5.9808 6.5840 6.5840 6.6573 6.6573 6.9352 6.9352 7.1259 7.1259 7.2111 7.2111 7.5058 7.5058 7.7410 7.7410 7.7893 7.7893 13.3158 13.3158 13.6690 13.6690 13.7686 13.7686 14.2664 14.2664 16.0248 16.0248 16.3885 16.3885 17.8415 17.8415 k = 0.3303-0.2551-0.6221 ( 4110 PWs) bands (ev): -10.4370 -10.4370 -10.3860 -10.3860 -9.4031 -9.4031 -8.8179 -8.8179 -8.7748 -8.7748 -8.2976 -8.2976 0.1828 0.1828 0.4686 0.4686 1.0835 1.0835 1.2566 1.2566 1.4186 1.4186 1.5893 1.5893 1.7044 1.7044 1.9612 1.9612 2.1048 2.1048 2.2431 2.2431 2.4158 2.4158 2.6524 2.6524 3.2612 3.2612 3.7534 3.7534 4.0473 4.0473 4.3325 4.3325 4.4262 4.4262 4.6595 4.6595 5.0879 5.0879 5.9718 5.9718 6.5737 6.5737 6.6681 6.6681 6.9281 6.9281 7.1118 7.1118 7.1996 7.1996 7.5111 7.5111 7.7428 7.7428 7.7925 7.7925 13.3543 13.3543 13.6813 13.6813 13.7883 13.7883 14.2558 14.2558 15.9796 15.9796 16.3727 16.3727 17.8489 17.8489 k = 0.3383-0.2613-0.6373 ( 4116 PWs) bands (ev): -10.4171 -10.4171 -10.4031 -10.4031 -9.4035 -9.4035 -8.8298 -8.8298 -8.7671 -8.7671 -8.2976 -8.2976 0.1892 0.1892 0.4476 0.4476 1.0884 1.0884 1.2651 1.2651 1.4175 1.4175 1.5961 1.5961 1.7001 1.7001 1.9595 1.9595 2.1055 2.1055 2.2516 2.2516 2.4133 2.4133 2.6726 2.6726 3.2440 3.2440 3.8014 3.8014 4.0612 4.0612 4.2869 4.2869 4.4248 4.4248 4.6493 4.6493 5.0924 5.0924 5.9637 5.9637 6.5581 6.5581 6.6795 6.6795 6.9208 6.9208 7.0963 7.0963 7.1884 7.1884 7.5171 7.5171 7.7448 7.7448 7.7953 7.7953 13.3757 13.3757 13.6877 13.6877 13.8317 13.8317 14.2472 14.2472 15.9357 15.9357 16.3593 16.3593 17.8544 17.8544 k = 0.3464-0.2675-0.6525 ( 4110 PWs) bands (ev): -10.4423 -10.4423 -10.3750 -10.3750 -9.4031 -9.4031 -8.8425 -8.8425 -8.7585 -8.7585 -8.2978 -8.2978 0.1938 0.1938 0.4258 0.4258 1.0934 1.0934 1.2736 1.2736 1.4158 1.4158 1.6042 1.6042 1.6958 1.6958 1.9586 1.9586 2.1060 2.1060 2.2606 2.2606 2.4092 2.4092 2.6947 2.6947 3.2289 3.2289 3.8477 3.8477 4.0685 4.0685 4.2410 4.2410 4.4345 4.4345 4.6336 4.6336 5.1034 5.1034 5.9562 5.9562 6.5397 6.5397 6.6889 6.6889 6.9133 6.9133 7.0796 7.0796 7.1778 7.1778 7.5237 7.5237 7.7467 7.7467 7.7980 7.7980 13.3834 13.3834 13.6928 13.6928 13.8897 13.8897 14.2409 14.2409 15.8938 15.8938 16.3479 16.3479 17.8579 17.8579 k = 0.3544-0.2738-0.6676 ( 4108 PWs) bands (ev): -10.4681 -10.4681 -10.3464 -10.3464 -9.4020 -9.4020 -8.8551 -8.8551 -8.7498 -8.7498 -8.2982 -8.2982 0.1965 0.1965 0.4037 0.4037 1.0985 1.0985 1.2818 1.2818 1.4139 1.4139 1.6131 1.6131 1.6913 1.6913 1.9584 1.9584 2.1062 2.1062 2.2701 2.2701 2.4038 2.4038 2.7185 2.7185 3.2156 3.2156 3.8908 3.8908 4.0635 4.0635 4.2069 4.2069 4.4496 4.4496 4.6134 4.6134 5.1203 5.1203 5.9489 5.9489 6.5196 6.5196 6.6951 6.6951 6.9056 6.9056 7.0618 7.0618 7.1683 7.1683 7.5310 7.5310 7.7484 7.7484 7.8006 7.8006 13.3816 13.3816 13.6995 13.6995 13.9544 13.9544 14.2374 14.2374 15.8547 15.8547 16.3381 16.3381 17.8584 17.8584 k = 0.3625-0.2800-0.6828 ( 4110 PWs) bands (ev): -10.4928 -10.4928 -10.3191 -10.3191 -9.4001 -9.4001 -8.8675 -8.8675 -8.7412 -8.7412 -8.2990 -8.2990 0.1968 0.1968 0.3821 0.3821 1.1039 1.1039 1.2894 1.2894 1.4119 1.4119 1.6227 1.6227 1.6869 1.6869 1.9587 1.9587 2.1060 2.1060 2.2798 2.2798 2.3972 2.3972 2.7436 2.7436 3.2041 3.2041 3.9274 3.9274 4.0437 4.0437 4.1918 4.1918 4.4679 4.4679 4.5900 4.5900 5.1424 5.1424 5.9416 5.9416 6.4984 6.4984 6.6973 6.6973 6.8975 6.8975 7.0433 7.0433 7.1603 7.1603 7.5386 7.5386 7.7495 7.7495 7.8034 7.8034 13.3738 13.3738 13.7081 13.7081 14.0199 14.0199 14.2381 14.2381 15.8192 15.8192 16.3297 16.3297 17.8545 17.8545 k = 0.6375-0.0344-0.5181 ( 4110 PWs) bands (ev): -10.4930 -10.4930 -10.3189 -10.3189 -9.4001 -9.4001 -8.8677 -8.8677 -8.7410 -8.7410 -8.2991 -8.2991 0.1968 0.1968 0.3821 0.3821 1.1039 1.1039 1.2894 1.2894 1.4119 1.4119 1.6227 1.6227 1.6869 1.6869 1.9587 1.9587 2.1060 2.1060 2.2798 2.2798 2.3972 2.3972 2.7436 2.7436 3.2041 3.2041 3.9275 3.9275 4.0438 4.0438 4.1918 4.1918 4.4678 4.4678 4.5901 4.5901 5.1423 5.1423 5.9415 5.9415 6.4984 6.4984 6.6973 6.6973 6.8976 6.8976 7.0434 7.0434 7.1603 7.1603 7.5386 7.5386 7.7494 7.7494 7.8034 7.8034 13.3738 13.3738 13.7081 13.7081 14.0200 14.0200 14.2381 14.2381 15.8192 15.8192 16.3296 16.3296 17.8545 17.8545 k = 0.6294-0.0179-0.5181 ( 4110 PWs) bands (ev): -10.5166 -10.5166 -10.2928 -10.2928 -9.3975 -9.3975 -8.8797 -8.8797 -8.7326 -8.7326 -8.3001 -8.3001 0.1944 0.1944 0.3616 0.3616 1.1097 1.1097 1.2963 1.2963 1.4098 1.4098 1.6327 1.6327 1.6828 1.6828 1.9597 1.9597 2.1057 2.1057 2.2895 2.2895 2.3901 2.3901 2.7699 2.7699 3.1940 3.1940 3.9451 3.9451 4.0257 4.0257 4.1924 4.1924 4.4885 4.4885 4.5649 4.5649 5.1688 5.1688 5.9340 5.9340 6.4764 6.4764 6.6953 6.6953 6.8889 6.8889 7.0243 7.0243 7.1544 7.1544 7.5465 7.5465 7.7498 7.7498 7.8064 7.8064 13.3626 13.3626 13.7182 13.7182 14.0810 14.0810 14.2457 14.2457 15.7879 15.7879 16.3222 16.3222 17.8433 17.8433 k = 0.6213-0.0014-0.5181 ( 4112 PWs) bands (ev): -10.5389 -10.5389 -10.2683 -10.2683 -9.3942 -9.3942 -8.8913 -8.8913 -8.7244 -8.7244 -8.3015 -8.3015 0.1887 0.1887 0.3434 0.3434 1.1159 1.1159 1.3022 1.3022 1.4077 1.4077 1.6421 1.6421 1.6797 1.6797 1.9613 1.9613 2.1053 2.1053 2.2987 2.2987 2.3830 2.3830 2.7969 2.7969 3.1853 3.1853 3.9241 3.9241 4.0359 4.0359 4.2013 4.2013 4.5096 4.5096 4.5404 4.5404 5.1988 5.1988 5.9261 5.9261 6.4542 6.4542 6.6889 6.6889 6.8794 6.8794 7.0048 7.0048 7.1508 7.1508 7.5545 7.5545 7.7493 7.7493 7.8098 7.8098 13.3497 13.3497 13.7294 13.7294 14.1302 14.1302 14.2651 14.2651 15.7617 15.7617 16.3156 16.3156 17.8213 17.8213 k = 0.6132 0.0150-0.5181 ( 4106 PWs) bands (ev): -10.5599 -10.5599 -10.2453 -10.2453 -9.3902 -9.3902 -8.9023 -8.9023 -8.7165 -8.7165 -8.3031 -8.3031 0.1792 0.1792 0.3284 0.3284 1.1226 1.1226 1.3072 1.3072 1.4058 1.4058 1.6492 1.6492 1.6794 1.6794 1.9633 1.9633 2.1050 2.1050 2.3066 2.3066 2.3770 2.3770 2.8243 2.8243 3.1778 3.1778 3.8841 3.8841 4.0582 4.0582 4.2148 4.2148 4.5105 4.5105 4.5384 4.5384 5.2318 5.2318 5.9177 5.9177 6.4322 6.4322 6.6782 6.6782 6.8691 6.8691 6.9852 6.9852 7.1498 7.1498 7.5625 7.5625 7.7481 7.7481 7.8134 7.8134 13.3362 13.3362 13.7410 13.7410 14.1622 14.1622 14.3003 14.3003 15.7414 15.7414 16.3097 16.3097 17.7863 17.7863 k = 0.6052 0.0315-0.5181 ( 4110 PWs) bands (ev): -10.5797 -10.5797 -10.2241 -10.2241 -9.3856 -9.3856 -8.9128 -8.9128 -8.7089 -8.7089 -8.3050 -8.3050 0.1659 0.1659 0.3169 0.3169 1.1297 1.1297 1.3110 1.3110 1.4040 1.4040 1.6513 1.6513 1.6842 1.6842 1.9658 1.9658 2.1048 2.1048 2.3117 2.3117 2.3734 2.3734 2.8517 2.8517 3.1713 3.1713 3.8408 3.8408 4.0780 4.0780 4.2308 4.2308 4.4905 4.4905 4.5608 4.5608 5.2671 5.2671 5.9086 5.9086 6.4106 6.4106 6.6635 6.6635 6.8578 6.8578 6.9657 6.9657 7.1513 7.1513 7.5705 7.5705 7.7462 7.7462 7.8172 7.8172 13.3228 13.3228 13.7525 13.7525 14.1810 14.1810 14.3459 14.3459 15.7278 15.7278 16.3042 16.3042 17.7385 17.7385 k = 0.5971 0.0480-0.5181 ( 4108 PWs) bands (ev): -10.5980 -10.5980 -10.2045 -10.2045 -9.3805 -9.3805 -8.9226 -8.9226 -8.7015 -8.7015 -8.3072 -8.3072 0.1494 0.1494 0.3087 0.3087 1.1375 1.1375 1.3138 1.3138 1.4023 1.4023 1.6491 1.6491 1.6934 1.6934 1.9686 1.9686 2.1049 2.1049 2.3125 2.3125 2.3741 2.3741 2.8784 2.8784 3.1659 3.1659 3.7982 3.7982 4.0915 4.0915 4.2479 4.2479 4.4742 4.4742 4.5845 4.5845 5.3041 5.3041 5.8990 5.8990 6.3899 6.3899 6.6453 6.6453 6.8456 6.8456 6.9464 6.9464 7.1549 7.1549 7.5785 7.5785 7.7436 7.7436 7.8209 7.8209 13.3099 13.3099 13.7636 13.7636 14.1943 14.1943 14.3933 14.3933 15.7215 15.7215 16.2991 16.2991 17.6808 17.6808 k = 0.5890 0.0644-0.5181 ( 4110 PWs) bands (ev): -10.6150 -10.6150 -10.1866 -10.1866 -9.3750 -9.3750 -8.9318 -8.9318 -8.6945 -8.6945 -8.3095 -8.3095 0.1307 0.1307 0.3032 0.3032 1.1458 1.1458 1.3156 1.3156 1.4007 1.4007 1.6448 1.6448 1.7044 1.7044 1.9716 1.9716 2.1053 2.1053 2.3087 2.3087 2.3791 2.3791 2.9039 2.9039 3.1618 3.1618 3.7578 3.7578 4.0975 4.0975 4.2644 4.2644 4.4647 4.4647 4.6079 4.6079 5.3422 5.3422 5.8889 5.8889 6.3702 6.3702 6.6241 6.6241 6.8327 6.8327 6.9277 6.9277 7.1603 7.1603 7.5863 7.5863 7.7404 7.7404 7.8244 7.8244 13.2978 13.2978 13.7739 13.7739 14.2062 14.2062 14.4374 14.4374 15.7231 15.7231 16.2942 16.2942 17.6163 17.6163 k = 0.5809 0.0809-0.5181 ( 4114 PWs) bands (ev): -10.6306 -10.6306 -10.1705 -10.1705 -9.3692 -9.3692 -8.9404 -8.9404 -8.6879 -8.6879 -8.3120 -8.3120 0.1109 0.1109 0.2997 0.2997 1.1547 1.1547 1.3164 1.3164 1.3991 1.3991 1.6395 1.6395 1.7159 1.7159 1.9748 1.9748 2.1061 2.1061 2.3017 2.3017 2.3873 2.3873 2.9275 2.9275 3.1593 3.1593 3.7202 3.7202 4.0960 4.0960 4.2788 4.2788 4.4633 4.4633 4.6304 4.6304 5.3810 5.3810 5.8783 5.8783 6.3520 6.3520 6.6006 6.6006 6.8193 6.8193 6.9095 6.9095 7.1670 7.1670 7.5941 7.5941 7.7368 7.7368 7.8277 7.8277 13.2867 13.2867 13.7831 13.7831 14.2185 14.2185 14.4758 14.4758 15.7327 15.7327 16.2893 16.2893 17.5477 17.5477 k = 0.5728 0.0974-0.5181 ( 4114 PWs) bands (ev): -10.6447 -10.6447 -10.1561 -10.1561 -9.3634 -9.3634 -8.9483 -8.9483 -8.6816 -8.6816 -8.3146 -8.3146 0.0909 0.0909 0.2975 0.2975 1.1639 1.1639 1.3164 1.3164 1.3975 1.3975 1.6339 1.6339 1.7272 1.7272 1.9780 1.9780 2.1074 2.1074 2.2931 2.2931 2.3971 2.3971 2.9482 2.9482 3.1590 3.1590 3.6857 3.6857 4.0876 4.0876 4.2909 4.2909 4.4697 4.4697 4.6517 4.6517 5.4199 5.4199 5.8674 5.8674 6.3354 6.3354 6.5753 6.5753 6.8057 6.8057 6.8923 6.8923 7.1746 7.1746 7.6018 7.6018 7.7327 7.7327 7.8307 7.8307 13.2766 13.2766 13.7912 13.7912 14.2318 14.2318 14.5073 14.5073 15.7502 15.7502 16.2845 16.2845 17.4771 17.4771 k = 0.5647 0.1138-0.5181 ( 4116 PWs) bands (ev): -10.6574 -10.6574 -10.1434 -10.1434 -9.3576 -9.3576 -8.9554 -8.9554 -8.6758 -8.6758 -8.3173 -8.3173 0.0716 0.0716 0.2963 0.2963 1.1734 1.1734 1.3158 1.3158 1.3957 1.3957 1.6283 1.6283 1.7380 1.7380 1.9812 1.9812 2.1093 2.1093 2.2836 2.2836 2.4075 2.4075 2.9653 2.9653 3.1614 3.1614 3.6549 3.6549 4.0737 4.0737 4.3014 4.3014 4.4818 4.4818 4.6713 4.6713 5.4584 5.4584 5.8563 5.8563 6.3208 6.3208 6.5489 6.5489 6.7922 6.7922 6.8762 6.8762 7.1826 7.1826 7.6095 7.6095 7.7282 7.7282 7.8332 7.8332 13.2677 13.2677 13.7980 13.7980 14.2462 14.2462 14.5317 14.5317 15.7749 15.7749 16.2796 16.2796 17.4060 17.4060 k = 0.5566 0.1303-0.5181 ( 4108 PWs) bands (ev): -10.6686 -10.6686 -10.1323 -10.1323 -9.3519 -9.3519 -8.9618 -8.9618 -8.6704 -8.6704 -8.3199 -8.3199 0.0535 0.0535 0.2956 0.2956 1.1832 1.1832 1.3145 1.3145 1.3940 1.3940 1.6227 1.6227 1.7481 1.7481 1.9844 1.9844 2.1117 2.1117 2.2739 2.2739 2.4181 2.4181 2.9781 2.9781 3.1667 3.1667 3.6277 3.6277 4.0559 4.0559 4.3110 4.3110 4.4972 4.4972 4.6891 4.6891 5.4958 5.4958 5.8452 5.8452 6.3082 6.3082 6.5221 6.5221 6.7791 6.7791 6.8614 6.8614 7.1906 7.1906 7.6172 7.6172 7.7233 7.7233 7.8353 7.8353 13.2599 13.2599 13.8036 13.8036 14.2615 14.2615 14.5493 14.5493 15.8058 15.8058 16.2746 16.2746 17.3362 17.3362 k = 0.5485 0.1468-0.5181 ( 4110 PWs) bands (ev): -10.6784 -10.6784 -10.1229 -10.1229 -9.3467 -9.3467 -8.9674 -8.9674 -8.6656 -8.6656 -8.3224 -8.3224 0.0371 0.0371 0.2952 0.2952 1.1928 1.1928 1.3126 1.3126 1.3921 1.3921 1.6174 1.6174 1.7570 1.7570 1.9872 1.9872 2.1146 2.1146 2.2644 2.2644 2.4282 2.4282 2.9866 2.9866 3.1747 3.1747 3.6044 3.6044 4.0361 4.0361 4.3201 4.3201 4.5135 4.5135 4.7048 4.7048 5.5316 5.5316 5.8342 5.8342 6.2980 6.2980 6.4955 6.4955 6.7668 6.7668 6.8481 6.8481 7.1981 7.1981 7.6249 7.6249 7.7182 7.7182 7.8370 7.8370 13.2532 13.2532 13.8080 13.8080 14.2772 14.2772 14.5609 14.5609 15.8410 15.8410 16.2695 16.2695 17.2691 17.2691 k = 0.5404 0.1632-0.5181 ( 4106 PWs) bands (ev): -10.6867 -10.6867 -10.1150 -10.1150 -9.3419 -9.3419 -8.9722 -8.9722 -8.6613 -8.6613 -8.3248 -8.3248 0.0227 0.0227 0.2951 0.2951 1.2023 1.2023 1.3102 1.3102 1.3903 1.3903 1.6127 1.6127 1.7648 1.7648 1.9898 1.9898 2.1179 2.1179 2.2554 2.2554 2.4375 2.4375 2.9913 2.9913 3.1846 3.1846 3.5850 3.5850 4.0159 4.0159 4.3286 4.3286 4.5291 4.5291 4.7183 4.7183 5.5649 5.5649 5.8234 5.8234 6.2902 6.2902 6.4699 6.4699 6.7556 6.7556 6.8366 6.8366 7.2050 7.2050 7.6325 7.6325 7.7128 7.7128 7.8383 7.8383 13.2476 13.2476 13.8114 13.8114 14.2928 14.2928 14.5674 14.5674 15.8788 15.8788 16.2643 16.2643 17.2065 17.2065 k = 0.5324 0.1797-0.5181 ( 4102 PWs) bands (ev): -10.6935 -10.6935 -10.1086 -10.1086 -9.3378 -9.3378 -8.9762 -8.9762 -8.6578 -8.6578 -8.3268 -8.3268 0.0106 0.0106 0.2951 0.2951 1.2112 1.2112 1.3076 1.3076 1.3886 1.3886 1.6085 1.6085 1.7714 1.7714 1.9920 1.9920 2.1213 2.1213 2.2472 2.2472 2.4457 2.4457 2.9933 2.9933 3.1949 3.1949 3.5695 3.5695 3.9971 3.9971 4.3364 4.3364 4.5429 4.5429 4.7295 4.7295 5.5950 5.5950 5.8131 5.8131 6.2848 6.2848 6.4463 6.4463 6.7459 6.7459 6.8269 6.8269 7.2110 7.2110 7.6399 7.6399 7.7072 7.7072 7.8393 7.8393 13.2430 13.2430 13.8140 13.8140 14.3075 14.3075 14.5700 14.5700 15.9164 15.9164 16.2589 16.2589 17.1504 17.1504 k = 0.5243 0.1962-0.5181 ( 4106 PWs) bands (ev): -10.6988 -10.6988 -10.1037 -10.1037 -9.3345 -9.3345 -8.9793 -8.9793 -8.6549 -8.6549 -8.3285 -8.3285 0.0009 0.0009 0.2951 0.2951 1.2191 1.2191 1.3048 1.3048 1.3871 1.3871 1.6050 1.6050 1.7765 1.7765 1.9938 1.9938 2.1246 2.1246 2.2401 2.2401 2.4524 2.4524 2.9936 2.9936 3.2045 3.2045 3.5578 3.5578 3.9808 3.9808 4.3429 4.3429 4.5542 4.5542 4.7382 4.7382 5.6210 5.6210 5.8035 5.8035 6.2817 6.2817 6.4256 6.4256 6.7380 6.7380 6.8192 6.8192 7.2158 7.2158 7.6469 7.6469 7.7015 7.7015 7.8399 7.8399 13.2395 13.2395 13.8158 13.8158 14.3204 14.3204 14.5702 14.5702 15.9512 15.9512 16.2536 16.2536 17.1030 17.1030 k = 0.5162 0.2126-0.5181 ( 4116 PWs) bands (ev): -10.7026 -10.7026 -10.1002 -10.1002 -9.3320 -9.3320 -8.9815 -8.9815 -8.6528 -8.6528 -8.3298 -8.3298 -0.0061 -0.0061 0.2951 0.2951 1.2254 1.2254 1.3022 1.3022 1.3859 1.3859 1.6024 1.6024 1.7802 1.7802 1.9950 1.9950 2.1274 2.1274 2.2345 2.2345 2.4574 2.4574 2.9931 2.9931 3.2121 3.2121 3.5497 3.5497 3.9682 3.9682 4.3479 4.3479 4.5625 4.5625 4.7445 4.7445 5.6415 5.6415 5.7952 5.7952 6.2805 6.2805 6.4092 6.4092 6.7321 6.7321 6.8136 6.8136 7.2193 7.2193 7.6532 7.6532 7.6962 7.6962 7.8404 7.8404 13.2370 13.2370 13.8170 13.8170 14.3306 14.3306 14.5690 14.5690 15.9798 15.9798 16.2487 16.2487 17.0667 17.0667 k = 0.5081 0.2291-0.5181 ( 4112 PWs) bands (ev): -10.7049 -10.7049 -10.0981 -10.0981 -9.3305 -9.3305 -8.9829 -8.9829 -8.6515 -8.6515 -8.3306 -8.3306 -0.0103 -0.0103 0.2952 0.2952 1.2296 1.2296 1.3004 1.3004 1.3851 1.3851 1.6009 1.6009 1.7824 1.7824 1.9958 1.9958 2.1293 2.1293 2.2310 2.2310 2.4606 2.4606 2.9926 2.9926 3.2170 3.2170 3.5450 3.5450 3.9603 3.9603 4.3511 4.3511 4.5676 4.5676 4.7484 4.7484 5.6551 5.6551 5.7893 5.7893 6.2804 6.2804 6.3984 6.3984 6.7286 6.7286 6.8102 6.8102 7.2215 7.2215 7.6580 7.6580 7.6921 7.6921 7.8406 7.8406 13.2356 13.2356 13.8177 13.8177 14.3372 14.3372 14.5678 14.5678 15.9990 15.9990 16.2452 16.2452 17.0438 17.0438 k = 0.5000 0.2456-0.5181 ( 4114 PWs) bands (ev): -10.7056 -10.7056 -10.0974 -10.0974 -9.3300 -9.3300 -8.9834 -8.9834 -8.6511 -8.6511 -8.3308 -8.3308 -0.0117 -0.0117 0.2952 0.2952 1.2310 1.2310 1.2997 1.2997 1.3848 1.3848 1.6003 1.6003 1.7831 1.7831 1.9961 1.9961 2.1300 2.1300 2.2297 2.2297 2.4616 2.4616 2.9924 2.9924 3.2187 3.2187 3.5434 3.5434 3.9576 3.9576 4.3521 4.3521 4.5693 4.5693 4.7496 4.7496 5.6599 5.6599 5.7871 5.7871 6.2804 6.2804 6.3946 6.3946 6.7273 6.7273 6.8091 6.8091 7.2223 7.2223 7.6599 7.6599 7.6904 7.6904 7.8407 7.8407 13.2351 13.2351 13.8179 13.8179 14.3395 14.3395 14.5672 14.5672 16.0057 16.0057 16.2438 16.2438 17.0359 17.0359 k = 0.5000 0.2456-0.5181 ( 4114 PWs) bands (ev): -10.7056 -10.7056 -10.0974 -10.0974 -9.3300 -9.3300 -8.9834 -8.9834 -8.6511 -8.6511 -8.3308 -8.3308 -0.0117 -0.0117 0.2952 0.2952 1.2310 1.2310 1.2997 1.2997 1.3848 1.3848 1.6003 1.6003 1.7831 1.7831 1.9961 1.9961 2.1300 2.1300 2.2297 2.2297 2.4616 2.4616 2.9924 2.9924 3.2187 3.2187 3.5434 3.5434 3.9576 3.9576 4.3521 4.3521 4.5693 4.5693 4.7496 4.7496 5.6599 5.6599 5.7871 5.7871 6.2804 6.2804 6.3946 6.3946 6.7273 6.7273 6.8091 6.8091 7.2223 7.2223 7.6599 7.6599 7.6904 7.6904 7.8407 7.8407 13.2351 13.2351 13.8179 13.8179 14.3395 14.3395 14.5672 14.5672 16.0057 16.0057 16.2438 16.2438 17.0359 17.0359 k = 0.5106 0.2508-0.5054 ( 4112 PWs) bands (ev): -10.7060 -10.7060 -10.0969 -10.0969 -9.3300 -9.3300 -8.9841 -8.9841 -8.6503 -8.6503 -8.3308 -8.3308 -0.0125 -0.0125 0.2965 0.2965 1.2286 1.2286 1.3010 1.3010 1.3847 1.3847 1.6007 1.6007 1.7828 1.7828 1.9961 1.9961 2.1296 2.1296 2.2297 2.2297 2.4607 2.4607 2.9933 2.9933 3.2197 3.2197 3.5420 3.5420 3.9599 3.9599 4.3475 4.3475 4.5703 4.5703 4.7536 4.7536 5.6542 5.6542 5.7913 5.7913 6.2731 6.2731 6.4037 6.4037 6.7260 6.7260 6.8110 6.8110 7.2227 7.2227 7.6536 7.6536 7.6937 7.6937 7.8408 7.8408 13.2364 13.2364 13.8180 13.8180 14.3373 14.3373 14.5668 14.5668 16.0062 16.0062 16.2437 16.2437 17.0380 17.0380 k = 0.5212 0.2560-0.4927 ( 4113 PWs) bands (ev): -10.7072 -10.7072 -10.0955 -10.0955 -9.3299 -9.3299 -8.9864 -8.9864 -8.6481 -8.6481 -8.3306 -8.3306 -0.0146 -0.0146 0.3004 0.3004 1.2217 1.2217 1.3044 1.3044 1.3846 1.3846 1.6016 1.6016 1.7821 1.7821 1.9963 1.9963 2.1282 2.1282 2.2297 2.2297 2.4579 2.4579 2.9958 2.9958 3.2230 3.2230 3.5378 3.5378 3.9667 3.9667 4.3344 4.3344 4.5732 4.5732 4.7649 4.7649 5.6394 5.6394 5.8015 5.8015 6.2564 6.2564 6.4259 6.4259 6.7224 6.7224 6.8161 6.8161 7.2242 7.2242 7.6390 7.6390 7.6990 7.6990 7.8411 7.8411 13.2404 13.2404 13.8184 13.8184 14.3309 14.3309 14.5653 14.5653 16.0074 16.0074 16.2433 16.2433 17.0440 17.0441 k = 0.5317 0.2612-0.4801 ( 4107 PWs) bands (ev): -10.7092 -10.7092 -10.0931 -10.0931 -9.3298 -9.3298 -8.9902 -8.9902 -8.6445 -8.6445 -8.3303 -8.3303 -0.0182 -0.0182 0.3069 0.3069 1.2119 1.2119 1.3081 1.3081 1.3848 1.3848 1.6031 1.6031 1.7810 1.7810 1.9965 1.9965 2.1260 2.1260 2.2294 2.2294 2.4536 2.4536 2.9995 2.9995 3.2287 3.2287 3.5312 3.5312 3.9777 3.9777 4.3146 4.3146 4.5776 4.5776 4.7819 4.7819 5.6200 5.6200 5.8132 5.8132 6.2375 6.2375 6.4541 6.4541 6.7174 6.7174 6.8239 6.8239 7.2266 7.2266 7.6205 7.6205 7.7026 7.7026 7.8415 7.8415 13.2471 13.2471 13.8190 13.8190 14.3202 14.3202 14.5629 14.5629 16.0093 16.0093 16.2429 16.2429 17.0542 17.0542 k = 0.5423 0.2664-0.4674 ( 4107 PWs) bands (ev): -10.7119 -10.7119 -10.0898 -10.0898 -9.3297 -9.3297 -8.9952 -8.9952 -8.6396 -8.6396 -8.3299 -8.3299 -0.0229 -0.0229 0.3156 0.3156 1.2002 1.2002 1.3107 1.3107 1.3858 1.3858 1.6051 1.6051 1.7794 1.7794 1.9965 1.9965 2.1229 2.1229 2.2290 2.2290 2.4483 2.4483 3.0036 3.0036 3.2374 3.2374 3.5224 3.5224 3.9921 3.9921 4.2900 4.2900 4.5833 4.5833 4.8027 4.8027 5.5992 5.5992 5.8230 5.8230 6.2203 6.2203 6.4846 6.4846 6.7119 6.7119 6.8334 6.8334 7.2301 7.2301 7.5993 7.5993 7.7033 7.7033 7.8417 7.8417 13.2561 13.2561 13.8199 13.8199 14.3055 14.3055 14.5597 14.5597 16.0113 16.0113 16.2428 16.2428 17.0685 17.0685 k = 0.5529 0.2716-0.4547 ( 4104 PWs) bands (ev): -10.7154 -10.7154 -10.0856 -10.0856 -9.3295 -9.3295 -9.0013 -9.0013 -8.6335 -8.6335 -8.3293 -8.3293 -0.0286 -0.0286 0.3264 0.3264 1.1873 1.1873 1.3114 1.3114 1.3881 1.3881 1.6074 1.6074 1.7776 1.7776 1.9963 1.9963 2.1192 2.1192 2.2281 2.2281 2.4424 2.4424 3.0072 3.0072 3.2492 3.2492 3.5119 3.5119 4.0093 4.0093 4.2626 4.2626 4.5900 4.5900 4.8256 4.8256 5.5794 5.5794 5.8285 5.8285 6.2070 6.2070 6.5151 6.5151 6.7069 6.7069 6.8442 6.8442 7.2346 7.2346 7.5764 7.5764 7.7011 7.7011 7.8415 7.8415 13.2673 13.2673 13.8212 13.8212 14.2867 14.2867 14.5559 14.5559 16.0129 16.0129 16.2434 16.2434 17.0868 17.0868 k = 0.5635 0.2768-0.4421 ( 4104 PWs) bands (ev): -10.7197 -10.7197 -10.0805 -10.0805 -9.3293 -9.3293 -9.0084 -9.0084 -8.6266 -8.6266 -8.3287 -8.3287 -0.0352 -0.0352 0.3391 0.3391 1.1736 1.1736 1.3099 1.3099 1.3918 1.3918 1.6098 1.6098 1.7755 1.7755 1.9956 1.9956 2.1147 2.1147 2.2267 2.2267 2.4363 2.4363 3.0097 3.0097 3.2647 3.2647 3.5001 3.5001 4.0280 4.0280 4.2343 4.2343 4.5976 4.5976 4.8488 4.8488 5.5621 5.5621 5.8284 5.8284 6.1986 6.1986 6.5443 6.5443 6.7029 6.7029 6.8562 6.8562 7.2401 7.2401 7.5523 7.5523 7.6960 7.6960 7.8407 7.8407 13.2804 13.2804 13.8229 13.8229 14.2642 14.2642 14.5514 14.5514 16.0136 16.0136 16.2453 16.2453 17.1092 17.1092 k = 0.5740 0.2820-0.4294 ( 4109 PWs) bands (ev): -10.7248 -10.7248 -10.0744 -10.0744 -9.3291 -9.3291 -9.0161 -9.0161 -8.6189 -8.6189 -8.3280 -8.3280 -0.0425 -0.0425 0.3533 0.3533 1.1594 1.1594 1.3062 1.3062 1.3965 1.3965 1.6123 1.6123 1.7733 1.7733 1.9941 1.9941 2.1098 2.1098 2.2248 2.2248 2.4305 2.4305 3.0105 3.0105 3.2839 3.2839 3.4873 3.4873 4.0464 4.0464 4.2071 4.2071 4.6058 4.6058 4.8712 4.8712 5.5488 5.5488 5.8221 5.8221 6.1954 6.1954 6.5705 6.5705 6.7008 6.7008 6.8694 6.8694 7.2466 7.2466 7.5276 7.5276 7.6882 7.6882 7.8391 7.8391 13.2950 13.2950 13.8251 13.8251 14.2382 14.2382 14.5467 14.5467 16.0125 16.0125 16.2492 16.2492 17.1355 17.1355 k = 0.5846 0.2872-0.4167 ( 4114 PWs) bands (ev): -10.7307 -10.7307 -10.0675 -10.0675 -9.3288 -9.3288 -9.0244 -9.0244 -8.6107 -8.6107 -8.3273 -8.3273 -0.0504 -0.0504 0.3689 0.3689 1.1450 1.1450 1.3010 1.3010 1.4019 1.4019 1.6146 1.6146 1.7710 1.7710 1.9918 1.9918 2.1047 2.1047 2.2222 2.2222 2.4252 2.4252 3.0093 3.0093 3.3067 3.3067 3.4741 3.4741 4.0611 4.0611 4.1844 4.1844 4.6143 4.6143 4.8922 4.8922 5.5406 5.5406 5.8100 5.8100 6.1967 6.1967 6.5923 6.5923 6.7013 6.7013 6.8839 6.8839 7.2541 7.2541 7.5029 7.5029 7.6778 7.6778 7.8366 7.8366 13.3105 13.3105 13.8278 13.8278 14.2091 14.2091 14.5417 14.5417 16.0091 16.0091 16.2557 16.2557 17.1655 17.1655 k = 0.5952 0.2923-0.4040 ( 4106 PWs) bands (ev): -10.7374 -10.7374 -10.0596 -10.0596 -9.3285 -9.3285 -9.0330 -9.0330 -8.6020 -8.6020 -8.3264 -8.3264 -0.0587 -0.0587 0.3856 0.3856 1.1307 1.1307 1.2949 1.2949 1.4075 1.4075 1.6169 1.6169 1.7687 1.7687 1.9884 1.9884 2.0997 2.0997 2.2190 2.2190 2.4206 2.4206 3.0060 3.0060 3.3323 3.3323 3.4612 3.4612 4.0657 4.0657 4.1725 4.1725 4.6230 4.6230 4.9113 4.9113 5.5381 5.5381 5.7929 5.7929 6.2015 6.2015 6.6085 6.6085 6.7047 6.7047 6.9001 6.9001 7.2626 7.2626 7.4788 7.4788 7.6651 7.6651 7.8330 7.8330 13.3265 13.3265 13.8310 13.8310 14.1775 14.1775 14.5366 14.5366 16.0031 16.0031 16.2652 16.2652 17.1990 17.1990 k = 0.6058 0.2975-0.3914 ( 4107 PWs) bands (ev): -10.7448 -10.7448 -10.0510 -10.0510 -9.3281 -9.3281 -9.0418 -9.0418 -8.5931 -8.5931 -8.3255 -8.3255 -0.0675 -0.0675 0.4033 0.4033 1.1166 1.1166 1.2879 1.2879 1.4130 1.4130 1.6189 1.6189 1.7663 1.7663 1.9838 1.9838 2.0948 2.0948 2.2154 2.2154 2.4165 2.4165 3.0007 3.0007 3.3595 3.3595 3.4497 3.4497 4.0554 4.0554 4.1755 4.1755 4.6318 4.6318 4.9288 4.9288 5.5419 5.5419 5.7719 5.7719 6.2086 6.2086 6.6194 6.6194 6.7101 6.7101 6.9183 6.9183 7.2718 7.2718 7.4559 7.4559 7.6503 7.6503 7.8285 7.8285 13.3420 13.3420 13.8344 13.8344 14.1444 14.1444 14.5316 14.5316 15.9944 15.9944 16.2778 16.2778 17.2356 17.2356 k = 0.6164 0.3027-0.3787 ( 4109 PWs) bands (ev): -10.7530 -10.7530 -10.0414 -10.0414 -9.3276 -9.3276 -9.0506 -9.0506 -8.5840 -8.5840 -8.3246 -8.3246 -0.0767 -0.0767 0.4217 0.4217 1.1027 1.1027 1.2808 1.2808 1.4179 1.4179 1.6205 1.6205 1.7640 1.7640 1.9780 1.9780 2.0905 2.0905 2.2114 2.2114 2.4128 2.4128 2.9934 2.9934 3.3837 3.3837 3.4440 3.4440 4.0346 4.0346 4.1885 4.1885 4.6406 4.6406 4.9452 4.9452 5.5516 5.5516 5.7480 5.7480 6.2166 6.2166 6.6263 6.6263 6.7159 6.7159 6.9383 6.9383 7.2818 7.2818 7.4347 7.4347 7.6334 7.6334 7.8232 7.8232 13.3563 13.3563 13.8376 13.8376 14.1113 14.1113 14.5267 14.5267 15.9831 15.9831 16.2935 16.2935 17.2749 17.2749 k = 0.6269 0.3079-0.3660 ( 4103 PWs) bands (ev): -10.7619 -10.7619 -10.0311 -10.0311 -9.3272 -9.3272 -9.0593 -9.0593 -8.5748 -8.5748 -8.3237 -8.3237 -0.0862 -0.0862 0.4407 0.4407 1.0895 1.0895 1.2736 1.2736 1.4222 1.4222 1.6217 1.6217 1.7617 1.7617 1.9713 1.9713 2.0869 2.0869 2.2070 2.2070 2.4093 2.4093 2.9844 2.9844 3.3934 3.3934 3.4554 3.4554 4.0096 4.0096 4.2045 4.2045 4.6496 4.6496 4.9616 4.9616 5.5665 5.5665 5.7225 5.7225 6.2247 6.2247 6.6310 6.6310 6.7202 6.7202 6.9599 6.9599 7.2924 7.2924 7.4159 7.4159 7.6149 7.6149 7.8172 7.8172 13.3682 13.3682 13.8394 13.8394 14.0804 14.0804 14.5219 14.5219 15.9697 15.9697 16.3122 16.3122 17.3165 17.3165 k = 0.6375 0.3131-0.3534 ( 4106 PWs) bands (ev): -10.7716 -10.7716 -10.0199 -10.0199 -9.3266 -9.3266 -9.0678 -9.0678 -8.5657 -8.5657 -8.3227 -8.3227 -0.0961 -0.0961 0.4601 0.4601 1.0768 1.0768 1.2665 1.2665 1.4256 1.4256 1.6223 1.6223 1.7593 1.7593 1.9636 1.9636 2.0840 2.0840 2.2025 2.2025 2.4059 2.4059 2.9738 2.9738 3.3877 3.3877 3.4843 3.4843 3.9834 3.9834 4.2195 4.2195 4.6594 4.6594 4.9789 4.9789 5.5851 5.5851 5.6967 5.6967 6.2319 6.2319 6.6349 6.6349 6.7220 6.7220 6.9823 6.9823 7.3035 7.3035 7.3998 7.3998 7.5949 7.5949 7.8108 7.8108 13.3762 13.3762 13.8380 13.8380 14.0551 14.0551 14.5172 14.5172 15.9547 15.9547 16.3336 16.3336 17.3598 17.3598 k = 0.6375 0.3131-0.3534 ( 4106 PWs) bands (ev): -10.7716 -10.7716 -10.0199 -10.0199 -9.3266 -9.3266 -9.0678 -9.0678 -8.5657 -8.5657 -8.3227 -8.3227 -0.0961 -0.0961 0.4601 0.4601 1.0768 1.0768 1.2665 1.2665 1.4256 1.4256 1.6223 1.6223 1.7593 1.7593 1.9636 1.9636 2.0840 2.0840 2.2025 2.2025 2.4059 2.4059 2.9738 2.9738 3.3877 3.3877 3.4843 3.4843 3.9834 3.9834 4.2195 4.2195 4.6594 4.6594 4.9789 4.9789 5.5851 5.5851 5.6967 5.6967 6.2319 6.2319 6.6349 6.6349 6.7220 6.7220 6.9823 6.9823 7.3035 7.3035 7.3998 7.3998 7.5949 7.5949 7.8108 7.8108 13.3762 13.3762 13.8380 13.8380 14.0551 14.0551 14.5172 14.5172 15.9547 15.9547 16.3336 16.3336 17.3598 17.3598 k = 0.6329 0.3109-0.3361 ( 4114 PWs) bands (ev): -10.7932 -10.7932 -9.9905 -9.9905 -9.3252 -9.3252 -9.0855 -9.0855 -8.5523 -8.5523 -8.3214 -8.3214 -0.1251 -0.1251 0.4840 0.4840 1.0740 1.0740 1.2562 1.2562 1.4236 1.4236 1.6281 1.6281 1.7557 1.7557 1.9547 1.9547 2.0846 2.0846 2.1969 2.1969 2.4081 2.4081 2.9656 2.9656 3.3808 3.3808 3.4928 3.4928 3.9722 3.9722 4.2618 4.2618 4.6704 4.6704 5.0291 5.0291 5.5641 5.5641 5.6500 5.6500 6.2377 6.2377 6.6546 6.6546 6.7282 6.7282 6.9782 6.9782 7.3059 7.3059 7.3894 7.3894 7.5882 7.5882 7.7915 7.7915 13.3631 13.3631 13.8580 13.8580 14.0671 14.0671 14.5185 14.5185 15.9390 15.9390 16.3323 16.3323 17.3819 17.3819 k = 0.6283 0.3086-0.3188 ( 4120 PWs) bands (ev): -10.8165 -10.8165 -9.9588 -9.9588 -9.3236 -9.3236 -9.1035 -9.1035 -8.5386 -8.5386 -8.3201 -8.3201 -0.1563 -0.1563 0.5093 0.5093 1.0712 1.0712 1.2460 1.2460 1.4216 1.4216 1.6322 1.6322 1.7520 1.7520 1.9464 1.9464 2.0850 2.0850 2.1910 2.1910 2.4093 2.4093 2.9565 2.9565 3.3668 3.3668 3.5065 3.5065 3.9680 3.9680 4.3004 4.3004 4.6826 4.6826 5.0826 5.0826 5.5390 5.5390 5.6066 5.6066 6.2451 6.2451 6.6705 6.6705 6.7368 6.7368 6.9776 6.9776 7.3083 7.3083 7.3795 7.3795 7.5806 7.5806 7.7698 7.7698 13.3446 13.3446 13.8496 13.8496 14.1058 14.1058 14.5212 14.5212 15.9253 15.9253 16.3383 16.3383 17.4045 17.4045 k = 0.6238 0.3064-0.3015 ( 4124 PWs) bands (ev): -10.8407 -10.8407 -9.9253 -9.9253 -9.3218 -9.3218 -9.1217 -9.1217 -8.5248 -8.5248 -8.3188 -8.3188 -0.1893 -0.1893 0.5356 0.5356 1.0684 1.0684 1.2359 1.2359 1.4196 1.4196 1.6344 1.6344 1.7482 1.7482 1.9392 1.9392 2.0850 2.0850 2.1850 2.1850 2.4093 2.4093 2.9472 2.9472 3.3471 3.3471 3.5244 3.5244 3.9699 3.9699 4.3346 4.3346 4.6960 4.6960 5.1383 5.1383 5.5034 5.5034 5.5743 5.5743 6.2545 6.2545 6.6794 6.6794 6.7500 6.7500 6.9809 6.9809 7.3105 7.3105 7.3700 7.3700 7.5721 7.5721 7.7459 7.7459 13.3220 13.3220 13.8220 13.8220 14.1600 14.1600 14.5257 14.5257 15.9140 15.9140 16.3517 16.3517 17.4278 17.4278 k = 0.6192 0.3041-0.2843 ( 4121 PWs) bands (ev): -10.8657 -10.8657 -9.8906 -9.8906 -9.3199 -9.3199 -9.1398 -9.1398 -8.5108 -8.5108 -8.3174 -8.3174 -0.2238 -0.2238 0.5628 0.5628 1.0658 1.0658 1.2261 1.2261 1.4177 1.4177 1.6347 1.6347 1.7442 1.7442 1.9333 1.9333 2.0843 2.0843 2.1792 2.1792 2.4081 2.4081 2.9380 2.9380 3.3236 3.3236 3.5456 3.5456 3.9766 3.9766 4.3637 4.3637 4.7103 4.7103 5.1952 5.1952 5.4565 5.4565 5.5557 5.5557 6.2659 6.2659 6.6807 6.6807 6.7684 6.7684 6.9879 6.9879 7.3125 7.3125 7.3607 7.3607 7.5627 7.5627 7.7204 7.7204 13.2961 13.2961 13.7837 13.7837 14.2189 14.2189 14.5326 14.5326 15.9062 15.9062 16.3722 16.3722 17.4516 17.4516 k = 0.6146 0.3019-0.2670 ( 4125 PWs) bands (ev): -10.8909 -10.8909 -9.8550 -9.8550 -9.3181 -9.3181 -9.1576 -9.1576 -8.4969 -8.4969 -8.3161 -8.3161 -0.2594 -0.2594 0.5905 0.5905 1.0632 1.0632 1.2164 1.2164 1.4157 1.4157 1.6329 1.6329 1.7403 1.7403 1.9287 1.9287 2.0825 2.0825 2.1739 2.1739 2.4055 2.4055 2.9294 2.9294 3.2977 3.2977 3.5696 3.5696 3.9868 3.9868 4.3877 4.3877 4.7245 4.7245 5.2522 5.2522 5.4045 5.4045 5.5463 5.5463 6.2793 6.2793 6.6765 6.6765 6.7906 6.7906 6.9976 6.9976 7.3141 7.3141 7.3519 7.3519 7.5524 7.5524 7.6938 7.6938 13.2675 13.2675 13.7387 13.7387 14.2765 14.2765 14.5432 14.5432 15.9025 15.9025 16.3994 16.3994 17.4760 17.4760 k = 0.6100 0.2996-0.2497 ( 4115 PWs) bands (ev): -10.9162 -10.9162 -9.8188 -9.8188 -9.3162 -9.3162 -9.1750 -9.1750 -8.4831 -8.4831 -8.3147 -8.3147 -0.2959 -0.2959 0.6186 0.6186 1.0608 1.0608 1.2072 1.2072 1.4138 1.4138 1.6293 1.6293 1.7366 1.7366 1.9256 1.9256 2.0795 2.0795 2.1694 2.1694 2.4018 2.4018 2.9214 2.9214 3.2708 3.2708 3.5959 3.5959 3.9993 3.9993 4.4068 4.4068 4.7373 4.7373 5.3063 5.3063 5.3532 5.3532 5.5439 5.5439 6.2943 6.2943 6.6700 6.6700 6.8150 6.8150 7.0088 7.0088 7.3150 7.3150 7.3435 7.3435 7.5412 7.5412 7.6669 7.6669 13.2366 13.2366 13.6888 13.6888 14.3284 14.3284 14.5593 14.5593 15.9039 15.9039 16.4328 16.4328 17.5007 17.5007 k = 0.6054 0.2974-0.2325 ( 4124 PWs) bands (ev): -10.9413 -10.9413 -9.7823 -9.7823 -9.3147 -9.3147 -9.1918 -9.1918 -8.4695 -8.4695 -8.3133 -8.3133 -0.3332 -0.3332 0.6469 0.6469 1.0586 1.0586 1.1982 1.1982 1.4117 1.4117 1.6239 1.6239 1.7332 1.7332 1.9236 1.9236 2.0751 2.0751 2.1659 2.1659 2.3968 2.3968 2.9139 2.9139 3.2438 3.2438 3.6244 3.6244 4.0129 4.0129 4.4215 4.4215 4.7469 4.7469 5.2946 5.2946 5.3663 5.3663 5.5486 5.5486 6.3101 6.3101 6.6636 6.6636 6.8410 6.8410 7.0202 7.0202 7.3143 7.3143 7.3359 7.3359 7.5289 7.5289 7.6406 7.6406 13.2038 13.2038 13.6346 13.6346 14.3704 14.3704 14.5835 14.5835 15.9110 15.9110 16.4718 16.4718 17.5256 17.5256 k = 0.6008 0.2951-0.2152 ( 4122 PWs) bands (ev): -10.9661 -10.9661 -9.7458 -9.7458 -9.3135 -9.3135 -9.2077 -9.2077 -8.4562 -8.4562 -8.3120 -8.3120 -0.3708 -0.3708 0.6751 0.6751 1.0565 1.0565 1.1897 1.1897 1.4095 1.4095 1.6171 1.6171 1.7304 1.7304 1.9226 1.9226 2.0696 2.0696 2.1633 2.1633 2.3907 2.3907 2.9067 2.9067 3.2178 3.2178 3.6547 3.6547 4.0270 4.0270 4.4327 4.4327 4.7516 4.7516 5.2448 5.2448 5.4158 5.4158 5.5614 5.5614 6.3255 6.3255 6.6601 6.6601 6.8682 6.8682 7.0304 7.0304 7.3110 7.3110 7.3297 7.3297 7.5156 7.5156 7.6163 7.6163 13.1695 13.1695 13.5770 13.5770 14.4002 14.4002 14.6173 14.6173 15.9242 15.9242 16.5160 16.5160 17.5504 17.5504 k = 0.5963 0.2929-0.1979 ( 4128 PWs) bands (ev): -10.9904 -10.9904 -9.7095 -9.7095 -9.3131 -9.3131 -9.2223 -9.2223 -8.4433 -8.4433 -8.3107 -8.3107 -0.4087 -0.4087 0.7032 0.7032 1.0546 1.0546 1.1817 1.1817 1.4070 1.4070 1.6090 1.6090 1.7283 1.7283 1.9225 1.9225 2.0632 2.0632 2.1617 2.1617 2.3834 2.3834 2.8993 2.8993 3.1936 3.1936 3.6867 3.6867 4.0407 4.0407 4.4410 4.4410 4.7497 4.7497 5.1973 5.1973 5.4610 5.4610 5.5832 5.5832 6.3391 6.3391 6.6620 6.6620 6.8965 6.8965 7.0383 7.0383 7.3044 7.3044 7.3248 7.3248 7.5013 7.5013 7.5952 7.5952 13.1339 13.1339 13.5163 13.5163 14.4183 14.4183 14.6593 14.6593 15.9441 15.9441 16.5649 16.5649 17.5748 17.5748 k = 0.5917 0.2906-0.1807 ( 4133 PWs) bands (ev): -11.0140 -11.0140 -9.6736 -9.6736 -9.3138 -9.3138 -9.2350 -9.2350 -8.4307 -8.4307 -8.3095 -8.3095 -0.4466 -0.4466 0.7308 0.7308 1.0531 1.0531 1.1741 1.1741 1.4044 1.4044 1.6001 1.6001 1.7270 1.7270 1.9230 1.9230 2.0562 2.0562 2.1606 2.1606 2.3753 2.3753 2.8912 2.8912 3.1720 3.1720 3.7201 3.7201 4.0536 4.0536 4.4470 4.4470 4.7403 4.7403 5.1535 5.1535 5.5009 5.5009 5.6135 5.6135 6.3495 6.3495 6.6714 6.6714 6.9255 6.9255 7.0429 7.0429 7.2948 7.2948 7.3198 7.3198 7.4869 7.4869 7.5783 7.5783 13.0974 13.0974 13.4529 13.4529 14.4277 14.4277 14.7061 14.7061 15.9708 15.9708 16.6178 16.6178 17.5983 17.5983 k = 0.5871 0.2884-0.1634 ( 4131 PWs) bands (ev): -11.0370 -11.0370 -9.6384 -9.6384 -9.3164 -9.3164 -9.2454 -9.2454 -8.4185 -8.4185 -8.3083 -8.3083 -0.4843 -0.4843 0.7579 0.7579 1.0521 1.0521 1.1671 1.1671 1.4015 1.4015 1.5906 1.5906 1.7266 1.7266 1.9240 1.9240 2.0491 2.0491 2.1600 2.1600 2.3664 2.3664 2.8818 2.8818 3.1540 3.1540 3.7547 3.7547 4.0655 4.0655 4.4510 4.4510 4.7230 4.7230 5.1141 5.1141 5.5365 5.5365 5.6503 5.6503 6.3561 6.3561 6.6895 6.6895 6.9547 6.9547 7.0438 7.0438 7.2825 7.2825 7.3134 7.3134 7.4740 7.4740 7.5658 7.5658 13.0604 13.0604 13.3875 13.3875 14.4310 14.4310 14.7548 14.7548 16.0043 16.0043 16.6744 16.6744 17.6204 17.6204 k = 0.5825 0.2861-0.1461 ( 4139 PWs) bands (ev): -11.0591 -11.0591 -9.6040 -9.6040 -9.3211 -9.3211 -9.2527 -9.2527 -8.4068 -8.4068 -8.3072 -8.3072 -0.5215 -0.5215 0.7839 0.7839 1.0516 1.0516 1.1605 1.1605 1.3983 1.3983 1.5806 1.5806 1.7270 1.7270 1.9255 1.9255 2.0422 2.0422 2.1595 2.1595 2.3567 2.3567 2.8703 2.8703 3.1400 3.1400 3.7901 3.7901 4.0762 4.0762 4.4534 4.4534 4.6987 4.6987 5.0790 5.0790 5.5696 5.5696 5.6905 5.6905 6.3595 6.3595 6.7160 6.7160 6.9829 6.9829 7.0415 7.0415 7.2674 7.2674 7.3053 7.3053 7.4641 7.4641 7.5575 7.5575 13.0230 13.0230 13.3204 13.3204 14.4299 14.4299 14.8034 14.8034 16.0446 16.0446 16.7340 16.7340 17.6403 17.6403 k = 0.5779 0.2839-0.1289 ( 4136 PWs) bands (ev): -11.0803 -11.0803 -9.5706 -9.5706 -9.3280 -9.3280 -9.2571 -9.2571 -8.3956 -8.3956 -8.3061 -8.3061 -0.5581 -0.5581 0.8087 0.8087 1.0520 1.0520 1.1546 1.1546 1.3950 1.3950 1.5702 1.5702 1.7285 1.7285 1.9275 1.9275 2.0357 2.0357 2.1591 2.1591 2.3465 2.3465 2.8564 2.8564 3.1305 3.1305 3.8258 3.8258 4.0858 4.0858 4.4540 4.4540 4.6688 4.6688 5.0478 5.0478 5.6011 5.6011 5.7319 5.7319 6.3611 6.3611 6.7492 6.7492 7.0038 7.0038 7.0416 7.0416 7.2496 7.2496 7.2960 7.2960 7.4580 7.4580 7.5527 7.5527 12.9855 12.9855 13.2522 13.2522 14.4258 14.4258 14.8505 14.8505 16.0915 16.0915 16.7961 16.7961 17.6576 17.6576 k = 0.5733 0.2816-0.1116 ( 4134 PWs) bands (ev): -11.1006 -11.1006 -9.5386 -9.5386 -9.3364 -9.3364 -9.2590 -9.2590 -8.3850 -8.3850 -8.3051 -8.3051 -0.5939 -0.5939 0.8317 0.8317 1.0535 1.0535 1.1493 1.1493 1.3916 1.3916 1.5595 1.5595 1.7310 1.7310 1.9301 1.9301 2.0299 2.0299 2.1585 2.1585 2.3359 2.3359 2.8400 2.8400 3.1256 3.1256 3.8611 3.8611 4.0945 4.0945 4.4527 4.4527 4.6358 4.6358 5.0196 5.0196 5.6305 5.6305 5.7737 5.7737 6.3627 6.3627 6.7868 6.7868 7.0026 7.0026 7.0581 7.0581 7.2304 7.2304 7.2863 7.2863 7.4554 7.4554 7.5508 7.5508 12.9482 12.9482 13.1834 13.1834 14.4192 14.4192 14.8957 14.8957 16.1446 16.1446 16.8603 16.8603 17.6713 17.6713 k = 0.5688 0.2794-0.0943 ( 4139 PWs) bands (ev): -11.1198 -11.1198 -9.5083 -9.5083 -9.3454 -9.3454 -9.2592 -9.2592 -8.3749 -8.3749 -8.3042 -8.3042 -0.6287 -0.6287 0.8525 0.8525 1.0564 1.0564 1.1446 1.1446 1.3881 1.3881 1.5484 1.5484 1.7345 1.7345 1.9333 1.9333 2.0246 2.0246 2.1576 2.1576 2.3249 2.3249 2.8214 2.8214 3.1248 3.1248 3.8953 3.8953 4.1027 4.1027 4.4484 4.4484 4.6023 4.6023 4.9936 4.9936 5.6567 5.6567 5.8159 5.8159 6.3660 6.3660 6.8258 6.8258 6.9871 6.9871 7.0823 7.0823 7.2124 7.2124 7.2774 7.2774 7.4558 7.4558 7.5514 7.5514 12.9114 12.9114 13.1146 13.1146 14.4108 14.4108 14.9384 14.9384 16.2035 16.2035 16.9258 16.9258 17.6810 17.6810 k = 0.5642 0.2771-0.0770 ( 4151 PWs) bands (ev): -11.1380 -11.1380 -9.4801 -9.4801 -9.3539 -9.3539 -9.2583 -9.2583 -8.3654 -8.3654 -8.3034 -8.3034 -0.6622 -0.6622 0.8705 0.8705 1.0610 1.0610 1.1406 1.1406 1.3847 1.3847 1.5368 1.5368 1.7391 1.7391 1.9373 1.9373 2.0201 2.0201 2.1561 2.1561 2.3137 2.3137 2.8009 2.8009 3.1278 3.1278 3.9271 3.9271 4.1110 4.1110 4.4399 4.4399 4.5718 4.5718 4.9693 4.9693 5.6785 5.6785 5.8589 5.8589 6.3723 6.3723 6.8619 6.8619 6.9670 6.9670 7.1018 7.1018 7.2007 7.2007 7.2704 7.2704 7.4583 7.4583 7.5539 7.5539 12.8753 12.8753 13.0462 13.0462 14.4010 14.4010 14.9786 14.9786 16.2678 16.2678 16.9921 16.9921 17.6864 17.6864 k = 0.5596 0.2749-0.0598 ( 4155 PWs) bands (ev): -11.1551 -11.1551 -9.4552 -9.4552 -9.3605 -9.3605 -9.2567 -9.2567 -8.3565 -8.3565 -8.3027 -8.3027 -0.6943 -0.6943 0.8855 0.8855 1.0674 1.0674 1.1377 1.1377 1.3815 1.3815 1.5247 1.5247 1.7450 1.7450 1.9422 1.9422 2.0161 2.0161 2.1542 2.1542 2.3023 2.3023 2.7791 2.7791 3.1339 3.1339 3.9552 3.9552 4.1200 4.1200 4.4257 4.4257 4.5476 4.5476 4.9460 4.9460 5.6950 5.6950 5.9030 5.9030 6.3822 6.3822 6.8858 6.8858 6.9509 6.9509 7.1074 7.1074 7.2033 7.2033 7.2675 7.2675 7.4622 7.4622 7.5577 7.5577 12.8402 12.8402 12.9789 12.9789 14.3901 14.3901 15.0161 15.0161 16.3369 16.3369 17.0585 17.0585 17.6876 17.6876 k = 0.5550 0.2726-0.0425 ( 4151 PWs) bands (ev): -11.1711 -11.1711 -9.4358 -9.4358 -9.3630 -9.3630 -9.2548 -9.2548 -8.3482 -8.3482 -8.3020 -8.3020 -0.7249 -0.7249 0.8973 0.8973 1.0753 1.0753 1.1363 1.1363 1.3785 1.3785 1.5121 1.5121 1.7520 1.7520 1.9480 1.9480 2.0128 2.0128 2.1518 2.1518 2.2910 2.2910 2.7567 2.7567 3.1425 3.1425 3.9782 3.9782 4.1299 4.1299 4.4065 4.4065 4.5314 4.5314 4.9236 4.9236 5.7062 5.7062 5.9482 5.9482 6.3959 6.3959 6.8803 6.8803 6.9538 6.9538 7.0976 7.0976 7.2211 7.2211 7.2710 7.2710 7.4671 7.4671 7.5623 7.5623 12.8064 12.8064 12.9133 12.9133 14.3785 14.3785 15.0509 15.0509 16.4103 16.4103 17.1243 17.1243 17.6850 17.6850 k = 0.5504 0.2704-0.0252 ( 4145 PWs) bands (ev): -11.1859 -11.1859 -9.4250 -9.4250 -9.3579 -9.3579 -9.2526 -9.2526 -8.3405 -8.3405 -8.3014 -8.3014 -0.7536 -0.7536 0.9059 0.9059 1.0836 1.0836 1.1372 1.1372 1.3759 1.3759 1.4991 1.4991 1.7602 1.7602 1.9548 1.9548 2.0100 2.0100 2.1488 2.1488 2.2798 2.2798 2.7339 2.7339 3.1531 3.1531 3.9951 3.9951 4.1396 4.1396 4.3862 4.3862 4.5218 4.5218 4.9017 4.9017 5.7125 5.7125 5.9942 5.9942 6.4134 6.4134 6.8545 6.8545 6.9651 6.9651 7.0797 7.0797 7.2459 7.2459 7.2831 7.2831 7.4728 7.4728 7.5674 7.5674 12.7740 12.7740 12.8499 12.8499 14.3666 14.3666 15.0830 15.0830 16.4877 16.4877 17.1887 17.1887 17.6794 17.6794 k = 0.5458 0.2681-0.0080 ( 4149 PWs) bands (ev): -11.1995 -11.1995 -9.4232 -9.4232 -9.3452 -9.3452 -9.2503 -9.2503 -8.3335 -8.3335 -8.3009 -8.3009 -0.7805 -0.7805 0.9118 0.9118 1.0905 1.0905 1.1418 1.1418 1.3735 1.3735 1.4856 1.4856 1.7693 1.7693 1.9623 1.9623 2.0074 2.0074 2.1451 2.1451 2.2688 2.2688 2.7114 2.7114 3.1651 3.1651 4.0060 4.0060 4.1460 4.1460 4.3706 4.3706 4.5166 4.5166 4.8803 4.8803 5.7146 5.7146 6.0406 6.0406 6.4340 6.4340 6.8234 6.8234 6.9700 6.9700 7.0582 7.0582 7.2725 7.2725 7.3040 7.3040 7.4793 7.4793 7.5725 7.5725 12.7434 12.7434 12.7893 12.7893 14.3546 14.3546 15.1123 15.1123 16.5685 16.5685 17.2508 17.2508 17.6720 17.6720 k = 0.5413 0.2659 0.0093 ( 4148 PWs) bands (ev): -11.2119 -11.2119 -9.4262 -9.4262 -9.3288 -9.3288 -9.2481 -9.2481 -8.3272 -8.3272 -8.3004 -8.3004 -0.8052 -0.8052 0.9155 0.9155 1.0947 1.0947 1.1509 1.1509 1.3713 1.3713 1.4718 1.4718 1.7793 1.7793 1.9706 1.9706 2.0051 2.0051 2.1409 2.1409 2.2581 2.2581 2.6895 2.6895 3.1782 3.1782 4.0120 4.0120 4.1453 4.1453 4.3651 4.3651 4.5138 4.5138 4.8593 4.8593 5.7137 5.7137 6.0866 6.0866 6.4572 6.4572 6.7914 6.7914 6.9665 6.9665 7.0346 7.0346 7.2994 7.2994 7.3310 7.3310 7.4868 7.4868 7.5773 7.5773 12.7148 12.7148 12.7322 12.7322 14.3428 14.3428 15.1390 15.1390 16.6521 16.6521 17.3094 17.3094 17.6636 17.6636 k = 0.5367 0.2636 0.0266 ( 4146 PWs) bands (ev): -11.2230 -11.2230 -9.4311 -9.4311 -9.3118 -9.3118 -9.2458 -9.2458 -8.3216 -8.3216 -8.3000 -8.3000 -0.8278 -0.8278 0.9176 0.9176 1.0964 1.0964 1.1638 1.1638 1.3693 1.3693 1.4580 1.4580 1.7899 1.7899 1.9792 1.9792 2.0032 2.0032 2.1361 2.1361 2.2479 2.2479 2.6685 2.6685 3.1917 3.1917 4.0143 4.0143 4.1357 4.1357 4.3715 4.3715 4.5125 4.5125 4.8388 4.8388 5.7106 5.7106 6.1317 6.1317 6.4823 6.4823 6.7603 6.7603 6.9560 6.9560 7.0097 7.0097 7.3259 7.3259 7.3601 7.3601 7.4957 7.4957 7.5815 7.5815 12.6787 12.6787 12.6888 12.6888 14.3315 14.3315 15.1628 15.1628 16.7383 16.7383 17.3635 17.3635 17.6553 17.6553 k = 0.5321 0.2613 0.0438 ( 4134 PWs) bands (ev): -11.2328 -11.2328 -9.4364 -9.4364 -9.2958 -9.2958 -9.2437 -9.2437 -8.3166 -8.3166 -8.2996 -8.2996 -0.8480 -0.8480 0.9185 0.9185 1.0965 1.0965 1.1790 1.1790 1.3674 1.3674 1.4444 1.4444 1.8010 1.8010 1.9869 1.9869 2.0027 2.0027 2.1308 2.1308 2.2383 2.2383 2.6489 2.6489 3.2054 3.2054 4.0138 4.0138 4.1195 4.1195 4.3874 4.3874 4.5120 4.5120 4.8187 4.8187 5.7063 5.7063 6.1749 6.1749 6.5086 6.5086 6.7316 6.7316 6.9405 6.9405 6.9840 6.9840 7.3512 7.3512 7.3879 7.3879 7.5065 7.5065 7.5850 7.5850 12.6303 12.6303 12.6648 12.6648 14.3209 14.3209 15.1840 15.1840 16.8264 16.8264 17.4114 17.4114 17.6482 17.6482 k = 0.5275 0.2591 0.0611 ( 4139 PWs) bands (ev): -11.2414 -11.2414 -9.4415 -9.4415 -9.2815 -9.2815 -9.2416 -9.2416 -8.3125 -8.3125 -8.2991 -8.2991 -0.8657 -0.8657 0.9186 0.9186 1.0958 1.0958 1.1951 1.1951 1.3650 1.3650 1.4313 1.4313 1.8122 1.8122 1.9903 1.9903 2.0065 2.0065 2.1250 2.1250 2.2294 2.2294 2.6309 2.6309 3.2186 3.2186 4.0113 4.0113 4.1005 4.1005 4.4089 4.4089 4.5121 4.5121 4.7991 4.7991 5.7013 5.7013 6.2155 6.2155 6.5354 6.5354 6.7062 6.7062 6.9218 6.9218 6.9580 6.9580 7.3745 7.3745 7.4120 7.4120 7.5197 7.5197 7.5877 7.5877 12.5869 12.5869 12.6436 12.6436 14.3113 14.3113 15.2023 15.2023 16.9158 16.9158 17.4516 17.4516 17.6429 17.6429 k = 0.5229 0.2568 0.0784 ( 4135 PWs) bands (ev): -11.2487 -11.2487 -9.4460 -9.4460 -9.2692 -9.2692 -9.2396 -9.2396 -8.3091 -8.3091 -8.2987 -8.2987 -0.8809 -0.8809 0.9183 0.9183 1.0949 1.0949 1.2115 1.2115 1.3620 1.3620 1.4193 1.4193 1.8232 1.8232 1.9891 1.9891 2.0149 2.0149 2.1190 2.1190 2.2215 2.2215 2.6150 2.6150 3.2310 3.2310 4.0071 4.0071 4.0819 4.0819 4.4327 4.4327 4.5125 4.5125 4.7803 4.7803 5.6964 5.6964 6.2525 6.2525 6.5619 6.5619 6.6851 6.6851 6.9010 6.9010 6.9325 6.9325 7.3950 7.3950 7.4311 7.4311 7.5348 7.5348 7.5897 7.5897 12.5491 12.5491 12.6253 12.6253 14.3028 14.3028 15.2179 15.2179 17.0059 17.0059 17.4824 17.4824 17.6395 17.6395 k = 0.5183 0.2546 0.0957 ( 4139 PWs) bands (ev): -11.2546 -11.2546 -9.4498 -9.4498 -9.2594 -9.2594 -9.2375 -9.2375 -8.3065 -8.3065 -8.2981 -8.2981 -0.8935 -0.8935 0.9178 0.9178 1.0939 1.0939 1.2276 1.2276 1.3577 1.3577 1.4091 1.4091 1.8334 1.8334 1.9862 1.9862 2.0246 2.0246 2.1127 2.1127 2.2146 2.2146 2.6014 2.6014 3.2421 3.2421 4.0015 4.0015 4.0661 4.0661 4.4562 4.4562 4.5133 4.5133 4.7625 4.7625 5.6918 5.6918 6.2846 6.2846 6.5873 6.5873 6.6691 6.6691 6.8793 6.8793 6.9083 6.9083 7.4120 7.4120 7.4456 7.4456 7.5504 7.5504 7.5910 7.5910 12.5175 12.5175 12.6100 12.6100 14.2956 14.2956 15.2307 15.2307 17.0957 17.0957 17.5032 17.5032 17.6365 17.6365 k = 0.5138 0.2523 0.1129 ( 4131 PWs) bands (ev): -11.2593 -11.2593 -9.4528 -9.4528 -9.2523 -9.2523 -9.2352 -9.2352 -8.3047 -8.3047 -8.2974 -8.2974 -0.9033 -0.9033 0.9173 0.9173 1.0931 1.0931 1.2427 1.2427 1.3518 1.3518 1.4013 1.4013 1.8425 1.8425 1.9830 1.9830 2.0342 2.0342 2.1064 2.1064 2.2090 2.2090 2.5905 2.5905 3.2514 3.2514 3.9952 3.9952 4.0543 4.0543 4.4771 4.4771 4.5146 4.5146 4.7465 4.7465 5.6880 5.6880 6.3108 6.3108 6.6102 6.6102 6.6588 6.6588 6.8585 6.8585 6.8865 6.8865 7.4250 7.4250 7.4566 7.4566 7.5641 7.5641 7.5924 7.5924 12.4925 12.4925 12.5981 12.5981 14.2899 14.2899 15.2406 15.2406 17.1835 17.1835 17.5145 17.5145 17.6294 17.6294 k = 0.5092 0.2501 0.1302 ( 4130 PWs) bands (ev): -11.2626 -11.2626 -9.4551 -9.4551 -9.2479 -9.2479 -9.2328 -9.2328 -8.3037 -8.3037 -8.2967 -8.2967 -0.9104 -0.9104 0.9169 0.9169 1.0925 1.0925 1.2560 1.2560 1.3447 1.3447 1.3963 1.3963 1.8497 1.8497 1.9799 1.9799 2.0428 2.0428 2.1005 2.1005 2.2047 2.2047 2.5825 2.5825 3.2583 3.2583 3.9892 3.9892 4.0464 4.0464 4.4928 4.4928 4.5172 4.5172 4.7333 4.7333 5.6852 5.6852 6.3300 6.3300 6.6284 6.6284 6.6543 6.6543 6.8404 6.8404 6.8685 6.8685 7.4337 7.4337 7.4648 7.4648 7.5736 7.5736 7.5944 7.5944 12.4743 12.4743 12.5894 12.5894 14.2857 14.2857 15.2478 15.2478 17.2663 17.2663 17.5172 17.5172 17.6132 17.6132 k = 0.5046 0.2478 0.1475 ( 4132 PWs) bands (ev): -11.2646 -11.2646 -9.4564 -9.4564 -9.2456 -9.2456 -9.2310 -9.2310 -8.3031 -8.3031 -8.2962 -8.2962 -0.9147 -0.9147 0.9165 0.9165 1.0921 1.0921 1.2657 1.2657 1.3383 1.3383 1.3936 1.3936 1.8544 1.8544 1.9778 1.9778 2.0493 2.0493 2.0957 2.0957 2.2022 2.2022 2.5776 2.5776 3.2627 3.2627 3.9849 3.9849 4.0421 4.0421 4.5010 4.5010 4.5211 4.5211 4.7244 4.7244 5.6834 5.6834 6.3417 6.3417 6.6386 6.6386 6.6553 6.6553 6.8278 6.8278 6.8562 6.8562 7.4387 7.4387 7.4701 7.4701 7.5781 7.5781 7.5970 7.5970 12.4633 12.4633 12.5842 12.5842 14.2832 14.2832 15.2520 15.2520 17.3362 17.3362 17.5104 17.5104 17.5913 17.5913 k = 0.5000 0.2456 0.1647 ( 4136 PWs) bands (ev): -11.2653 -11.2653 -9.4568 -9.4568 -9.2449 -9.2449 -9.2303 -9.2303 -8.3030 -8.3030 -8.2960 -8.2960 -0.9161 -0.9161 0.9164 0.9164 1.0919 1.0919 1.2695 1.2695 1.3356 1.3356 1.3927 1.3927 1.8560 1.8560 1.9770 1.9770 2.0518 2.0518 2.0937 2.0937 2.2013 2.2013 2.5760 2.5760 3.2641 3.2641 3.9833 3.9833 4.0407 4.0407 4.5032 4.5032 4.5232 4.5232 4.7212 4.7212 5.6828 5.6828 6.3456 6.3456 6.6410 6.6410 6.6573 6.6573 6.8232 6.8232 6.8518 6.8518 7.4402 7.4402 7.4719 7.4719 7.5792 7.5792 7.5983 7.5983 12.4597 12.4597 12.5824 12.5824 14.2823 14.2823 15.2535 15.2535 17.3691 17.3691 17.5012 17.5012 17.5808 17.5809 k = 0.5000-0.3862-0.2590 ( 4098 PWs) bands (ev): -10.7294 -10.7294 -10.1524 -10.1524 -9.3311 -9.3311 -8.9311 -8.9311 -8.5768 -8.5768 -8.3335 -8.3335 0.0308 0.0308 0.7385 0.7385 1.0281 1.0281 1.1065 1.1065 1.3772 1.3772 1.4486 1.4486 1.8029 1.8029 1.8478 1.8478 2.1006 2.1006 2.1830 2.1830 2.3262 2.3262 2.6963 2.6963 3.1686 3.1686 3.5726 3.5726 3.8669 3.8669 4.4191 4.4191 4.7456 4.7456 4.8583 4.8583 5.8374 5.8374 6.0437 6.0437 6.2253 6.2253 6.2806 6.2806 7.0530 7.0530 7.2243 7.2243 7.3299 7.3299 7.4727 7.4727 7.7053 7.7053 7.7492 7.7492 13.1511 13.1511 13.2596 13.2596 13.8036 13.8036 14.3240 14.3240 16.5349 16.5349 16.5518 16.5518 18.1263 18.1263 k = 0.5125-0.3750-0.2516 ( 4103 PWs) bands (ev): -10.7294 -10.7294 -10.1521 -10.1521 -9.3311 -9.3311 -8.9316 -8.9316 -8.5768 -8.5768 -8.3335 -8.3335 0.0306 0.0306 0.7367 0.7367 1.0249 1.0249 1.1116 1.1116 1.3761 1.3761 1.4503 1.4503 1.8020 1.8020 1.8492 1.8492 2.0999 2.0999 2.1834 2.1834 2.3259 2.3259 2.6977 2.6977 3.1690 3.1690 3.5725 3.5725 3.8678 3.8678 4.4191 4.4191 4.7457 4.7457 4.8547 4.8547 5.8379 5.8379 6.0451 6.0451 6.2259 6.2259 6.2809 6.2809 7.0502 7.0502 7.2210 7.2210 7.3333 7.3333 7.4704 7.4704 7.7062 7.7062 7.7492 7.7492 13.1528 13.1528 13.2609 13.2609 13.8037 13.8037 14.3254 14.3254 16.5338 16.5338 16.5489 16.5489 18.1190 18.1190 k = 0.5250-0.3639-0.2441 ( 4100 PWs) bands (ev): -10.7295 -10.7295 -10.1512 -10.1512 -9.3311 -9.3311 -8.9331 -8.9331 -8.5766 -8.5766 -8.3333 -8.3333 0.0299 0.0299 0.7312 0.7312 1.0173 1.0173 1.1246 1.1246 1.3733 1.3733 1.4549 1.4549 1.7997 1.7997 1.8530 1.8530 2.0981 2.0981 2.1845 2.1845 2.3252 2.3252 2.7022 2.7022 3.1701 3.1701 3.5720 3.5720 3.8707 3.8707 4.4189 4.4189 4.7460 4.7460 4.8442 4.8442 5.8390 5.8390 6.0495 6.0495 6.2275 6.2275 6.2820 6.2820 7.0416 7.0416 7.2136 7.2136 7.3417 7.3417 7.4641 7.4641 7.7077 7.7077 7.7498 7.7498 13.1576 13.1576 13.2647 13.2647 13.8040 13.8040 14.3295 14.3295 16.5278 16.5278 16.5430 16.5430 18.1018 18.1018 k = 0.5375-0.3527-0.2366 ( 4099 PWs) bands (ev): -10.7296 -10.7296 -10.1496 -10.1496 -9.3310 -9.3310 -8.9357 -8.9357 -8.5763 -8.5763 -8.3329 -8.3329 0.0289 0.0289 0.7224 0.7224 1.0086 1.0086 1.1419 1.1419 1.3695 1.3695 1.4618 1.4618 1.7965 1.7965 1.8587 1.8587 2.0953 2.0953 2.1863 2.1863 2.3242 2.3242 2.7094 2.7094 3.1720 3.1720 3.5712 3.5712 3.8756 3.8756 4.4183 4.4183 4.7466 4.7466 4.8275 4.8275 5.8403 5.8403 6.0569 6.0569 6.2298 6.2298 6.2843 6.2843 7.0259 7.0259 7.2064 7.2064 7.3521 7.3521 7.4547 7.4547 7.7068 7.7068 7.7532 7.7532 13.1656 13.1656 13.2711 13.2711 13.8047 13.8047 14.3362 14.3362 16.5117 16.5117 16.5399 16.5399 18.0805 18.0805 k = 0.5500-0.3415-0.2291 ( 4099 PWs) bands (ev): -10.7298 -10.7298 -10.1475 -10.1475 -9.3310 -9.3310 -8.9392 -8.9392 -8.5760 -8.5760 -8.3325 -8.3325 0.0274 0.0274 0.7105 0.7105 1.0007 1.0007 1.1612 1.1612 1.3655 1.3655 1.4702 1.4702 1.7930 1.7930 1.8655 1.8655 2.0916 2.0916 2.1885 2.1885 2.3228 2.3228 2.7192 2.7192 3.1749 3.1749 3.5701 3.5701 3.8823 3.8823 4.4169 4.4169 4.7473 4.7473 4.8058 4.8058 5.8409 5.8409 6.0671 6.0671 6.2320 6.2320 6.2883 6.2883 7.0026 7.0026 7.2026 7.2026 7.3619 7.3619 7.4435 7.4435 7.7014 7.7014 7.7604 7.7604 13.1766 13.1766 13.2802 13.2802 13.8059 13.8059 14.3452 14.3452 16.4872 16.4872 16.5384 16.5384 18.0573 18.0573 k = 0.5625-0.3304-0.2216 ( 4103 PWs) bands (ev): -10.7300 -10.7300 -10.1448 -10.1448 -9.3309 -9.3309 -8.9436 -8.9436 -8.5755 -8.5755 -8.3320 -8.3320 0.0255 0.0255 0.6960 0.6960 0.9944 0.9944 1.1809 1.1809 1.3621 1.3621 1.4795 1.4795 1.7896 1.7896 1.8731 1.8731 2.0874 2.0874 2.1910 2.1910 2.3211 2.3211 2.7314 2.7314 3.1789 3.1789 3.5686 3.5686 3.8908 3.8908 4.4140 4.4140 4.7481 4.7481 4.7809 4.7809 5.8402 5.8402 6.0796 6.0796 6.2335 6.2335 6.2948 6.2948 6.9722 6.9722 7.2034 7.2034 7.3692 7.3692 7.4323 7.4323 7.6913 7.6913 7.7705 7.7705 13.1901 13.1901 13.2919 13.2919 13.8077 13.8077 14.3561 14.3561 16.4566 16.4566 16.5373 16.5373 18.0326 18.0326 k = 0.5750-0.3192-0.2141 ( 4106 PWs) bands (ev): -10.7303 -10.7303 -10.1415 -10.1415 -9.3308 -9.3308 -8.9489 -8.9489 -8.5750 -8.5750 -8.3314 -8.3314 0.0231 0.0231 0.6795 0.6795 0.9899 0.9899 1.2000 1.2000 1.3599 1.3599 1.4893 1.4893 1.7863 1.7863 1.8813 1.8813 2.0830 2.0830 2.1936 2.1936 2.3195 2.3195 2.7456 2.7456 3.1841 3.1841 3.5668 3.5668 3.9011 3.9011 4.4087 4.4087 4.7453 4.7453 4.7585 4.7585 5.8378 5.8378 6.0934 6.0934 6.2336 6.2336 6.3045 6.3045 6.9364 6.9364 7.2084 7.2084 7.3717 7.3717 7.4235 7.4235 7.6775 7.6775 7.7818 7.7818 13.2060 13.2060 13.3064 13.3064 13.8105 13.8105 14.3686 14.3686 16.4213 16.4213 16.5360 16.5360 18.0061 18.0061 k = 0.5875-0.3080-0.2066 ( 4108 PWs) bands (ev): -10.7308 -10.7308 -10.1376 -10.1376 -9.3306 -9.3306 -8.9549 -8.9549 -8.5745 -8.5745 -8.3307 -8.3307 0.0203 0.0203 0.6615 0.6615 0.9871 0.9871 1.2175 1.2175 1.3594 1.3594 1.4993 1.4993 1.7833 1.7833 1.8897 1.8897 2.0786 2.0786 2.1962 2.1962 2.3180 2.3180 2.7614 2.7614 3.1907 3.1907 3.5648 3.5648 3.9131 3.9131 4.3997 4.3997 4.7240 4.7240 4.7555 4.7555 5.8335 5.8335 6.1069 6.1069 6.2321 6.2321 6.3179 6.3179 6.8971 6.8971 7.2167 7.2167 7.3677 7.3677 7.4192 7.4192 7.6608 7.6608 7.7932 7.7932 13.2236 13.2236 13.3239 13.3239 13.8144 13.8144 14.3821 14.3821 16.3824 16.3824 16.5344 16.5344 17.9775 17.9775 k = 0.6000-0.2969-0.1991 ( 4118 PWs) bands (ev): -10.7314 -10.7314 -10.1331 -10.1331 -9.3305 -9.3305 -8.9615 -8.9615 -8.5739 -8.5739 -8.3299 -8.3299 0.0170 0.0170 0.6426 0.6426 0.9859 0.9859 1.2325 1.2325 1.3613 1.3613 1.5093 1.5093 1.7806 1.7806 1.8982 1.8982 2.0743 2.0743 2.1987 2.1987 2.3170 2.3170 2.7783 2.7783 3.1990 3.1990 3.5627 3.5627 3.9264 3.9264 4.3855 4.3855 4.7005 4.7005 4.7582 4.7582 5.8276 5.8276 6.1179 6.1179 6.2295 6.2295 6.3350 6.3350 6.8563 6.8563 7.2272 7.2272 7.3581 7.3581 7.4189 7.4189 7.6416 7.6416 7.8038 7.8038 13.2424 13.2424 13.3446 13.3446 13.8197 13.8197 14.3963 14.3963 16.3409 16.3409 16.5323 16.5323 17.9463 17.9463 k = 0.6125-0.2857-0.1917 ( 4110 PWs) bands (ev): -10.7321 -10.7321 -10.1281 -10.1281 -9.3303 -9.3303 -8.9687 -8.9687 -8.5733 -8.5733 -8.3291 -8.3291 0.0131 0.0131 0.6233 0.6233 0.9861 0.9861 1.2446 1.2446 1.3660 1.3660 1.5192 1.5192 1.7783 1.7783 1.9066 1.9066 2.0705 2.0705 2.2011 2.2011 2.3167 2.3167 2.7961 2.7961 3.2090 3.2090 3.5606 3.5606 3.9410 3.9410 4.3651 4.3651 4.6809 4.6809 4.7625 4.7625 5.8201 5.8201 6.1237 6.1237 6.2271 6.2271 6.3554 6.3554 6.8160 6.8160 7.2387 7.2387 7.3462 7.3462 7.4200 7.4200 7.6206 7.6206 7.8134 7.8134 13.2618 13.2618 13.3685 13.3685 13.8264 13.8264 14.4107 14.4107 16.2979 16.2979 16.5296 16.5296 17.9122 17.9122 k = 0.6250-0.2746-0.1842 ( 4106 PWs) bands (ev): -10.7331 -10.7331 -10.1225 -10.1225 -9.3302 -9.3302 -8.9764 -8.9764 -8.5727 -8.5727 -8.3283 -8.3283 0.0087 0.0087 0.6040 0.6040 0.9876 0.9876 1.2534 1.2534 1.3732 1.3732 1.5288 1.5288 1.7763 1.7763 1.9148 1.9148 2.0673 2.0673 2.2031 2.2031 2.3173 2.3173 2.8143 2.8143 3.2208 3.2208 3.5588 3.5588 3.9565 3.9565 4.3379 4.3379 4.6667 4.6667 4.7682 4.7682 5.8114 5.8114 6.1213 6.1213 6.2263 6.2263 6.3786 6.3786 6.7781 6.7781 7.2490 7.2490 7.3348 7.3348 7.4210 7.4210 7.5983 7.5983 7.8216 7.8216 13.2814 13.2814 13.3957 13.3957 13.8347 13.8347 14.4248 14.4248 16.2544 16.2544 16.5260 16.5260 17.8751 17.8751 k = 0.6375-0.2634-0.1767 ( 4102 PWs) bands (ev): -10.7342 -10.7342 -10.1164 -10.1164 -9.3300 -9.3300 -8.9844 -8.9844 -8.5721 -8.5721 -8.3275 -8.3275 0.0037 0.0037 0.5851 0.5851 0.9902 0.9902 1.2593 1.2593 1.3825 1.3825 1.5381 1.5381 1.7745 1.7745 1.9225 1.9225 2.0648 2.0648 2.2046 2.2046 2.3192 2.3192 2.8325 2.8325 3.2343 3.2343 3.5574 3.5574 3.9726 3.9726 4.3047 4.3047 4.6579 4.6579 4.7755 4.7755 5.8015 5.8015 6.1088 6.1088 6.2280 6.2280 6.4039 6.4039 6.7444 6.7444 7.2547 7.2547 7.3277 7.3277 7.4212 7.4212 7.5753 7.5753 7.8282 7.8282 13.3005 13.3005 13.4260 13.4260 13.8448 13.8448 14.4383 14.4383 16.2112 16.2112 16.5215 16.5215 17.8351 17.8351 k = 0.6500-0.2522-0.1692 ( 4100 PWs) bands (ev): -10.7356 -10.7356 -10.1098 -10.1098 -9.3298 -9.3298 -8.9926 -8.9926 -8.5715 -8.5715 -8.3267 -8.3267 -0.0019 -0.0019 0.5669 0.5669 0.9939 0.9939 1.2629 1.2629 1.3928 1.3928 1.5470 1.5470 1.7729 1.7729 1.9296 1.9296 2.0631 2.0631 2.2056 2.2056 2.3224 2.3224 2.8503 2.8503 3.2494 3.2494 3.5567 3.5567 3.9887 3.9887 4.2672 4.2672 4.6536 4.6536 4.7847 4.7847 5.7909 5.7909 6.0862 6.0862 6.2315 6.2315 6.4305 6.4305 6.7163 6.7163 7.2518 7.2518 7.3280 7.3280 7.4202 7.4202 7.5528 7.5528 7.8334 7.8334 13.3189 13.3189 13.4592 13.4592 13.8566 13.8566 14.4509 14.4509 16.1692 16.1692 16.5156 16.5156 17.7925 17.7925 k = 0.6625-0.2411-0.1617 ( 4106 PWs) bands (ev): -10.7374 -10.7374 -10.1028 -10.1028 -9.3295 -9.3295 -9.0010 -9.0010 -8.5709 -8.5709 -8.3260 -8.3260 -0.0082 -0.0082 0.5497 0.5497 0.9984 0.9984 1.2650 1.2650 1.4031 1.4031 1.5555 1.5555 1.7713 1.7713 1.9359 1.9359 2.0622 2.0622 2.2059 2.2059 2.3273 2.3273 2.8673 2.8673 3.2657 3.2657 3.5570 3.5570 4.0041 4.0041 4.2275 4.2275 4.6525 4.6525 4.7961 4.7961 5.7795 5.7795 6.0546 6.0546 6.2354 6.2354 6.4573 6.4573 6.6951 6.6951 7.2400 7.2400 7.3348 7.3348 7.4182 7.4182 7.5322 7.5322 7.8369 7.8369 13.3363 13.3363 13.4948 13.4948 13.8701 13.8701 14.4623 14.4623 16.1292 16.1292 16.5083 16.5083 17.7476 17.7476 k = 0.6750-0.2299-0.1542 ( 4110 PWs) bands (ev): -10.7394 -10.7394 -10.0952 -10.0952 -9.3293 -9.3293 -9.0095 -9.0095 -8.5704 -8.5704 -8.3253 -8.3253 -0.0153 -0.0153 0.5336 0.5336 1.0038 1.0038 1.2662 1.2662 1.4127 1.4127 1.5638 1.5638 1.7698 1.7698 1.9415 1.9415 2.0622 2.0622 2.2057 2.2057 2.3336 2.3336 2.8835 2.8835 3.2827 3.2827 3.5583 3.5583 4.0171 4.0171 4.1891 4.1891 4.6535 4.6535 4.8099 4.8099 5.7675 5.7675 6.0153 6.0153 6.2389 6.2389 6.4834 6.4834 6.6813 6.6813 7.2224 7.2224 7.3433 7.3433 7.4149 7.4149 7.5156 7.5156 7.8390 7.8390 13.3523 13.3523 13.5323 13.5323 13.8853 13.8853 14.4723 14.4723 16.0919 16.0919 16.4992 16.4992 17.7013 17.7013 k = 0.6875-0.2187-0.1467 ( 4105 PWs) bands (ev): -10.7418 -10.7418 -10.0872 -10.0872 -9.3290 -9.3290 -9.0178 -9.0178 -8.5698 -8.5698 -8.3246 -8.3246 -0.0230 -0.0230 0.5190 0.5190 1.0102 1.0102 1.2668 1.2668 1.4210 1.4210 1.5720 1.5720 1.7682 1.7682 1.9463 1.9463 2.0632 2.0632 2.2051 2.2051 2.3414 2.3414 2.8987 2.8987 3.2999 3.2999 3.5604 3.5604 4.0243 4.0243 4.1570 4.1570 4.6555 4.6555 4.8260 4.8260 5.7550 5.7550 5.9699 5.9699 6.2415 6.2415 6.5081 6.5081 6.6747 6.6747 7.2008 7.2008 7.3498 7.3498 7.4104 7.4104 7.5054 7.5054 7.8397 7.8397 13.3665 13.3665 13.5711 13.5711 13.9023 13.9023 14.4808 14.4808 16.0580 16.0580 16.4879 16.4879 17.6541 17.6541 k = 0.7000-0.2076-0.1392 ( 4103 PWs) bands (ev): -10.7446 -10.7446 -10.0787 -10.0787 -9.3288 -9.3288 -9.0261 -9.0261 -8.5693 -8.5693 -8.3241 -8.3241 -0.0315 -0.0315 0.5058 0.5058 1.0174 1.0174 1.2671 1.2671 1.4274 1.4274 1.5800 1.5800 1.7667 1.7667 1.9503 1.9503 2.0649 2.0649 2.2042 2.2042 2.3504 2.3504 2.9127 2.9127 3.3165 3.3165 3.5629 3.5629 4.0203 4.0203 4.1386 4.1386 4.6579 4.6579 4.8445 4.8445 5.7420 5.7420 5.9202 5.9202 6.2430 6.2430 6.5308 6.5308 6.6747 6.6747 7.1758 7.1758 7.3518 7.3518 7.4047 7.4047 7.5037 7.5037 7.8390 7.8390 13.3787 13.3787 13.6108 13.6108 13.9208 13.9208 14.4879 14.4879 16.0280 16.0280 16.4743 16.4743 17.6069 17.6069 k = 0.7125-0.1964-0.1318 ( 4099 PWs) bands (ev): -10.7478 -10.7478 -10.0698 -10.0698 -9.3284 -9.3284 -9.0341 -9.0341 -8.5687 -8.5687 -8.3236 -8.3236 -0.0407 -0.0407 0.4942 0.4942 1.0254 1.0254 1.2674 1.2674 1.4319 1.4319 1.5879 1.5879 1.7651 1.7651 1.9536 1.9536 2.0672 2.0672 2.2033 2.2033 2.3601 2.3601 2.9256 2.9256 3.3320 3.3320 3.5643 3.5643 4.0042 4.0042 4.1370 4.1370 4.6601 4.6601 4.8651 4.8651 5.7282 5.7282 5.8680 5.8680 6.2433 6.2433 6.5515 6.5515 6.6799 6.6799 7.1478 7.1478 7.3490 7.3490 7.3988 7.3988 7.5101 7.5101 7.8371 7.8371 13.3882 13.3882 13.6508 13.6508 13.9407 13.9407 14.4937 14.4937 16.0026 16.0026 16.4580 16.4580 17.5604 17.5604 k = 0.7250-0.1853-0.1243 ( 4100 PWs) bands (ev): -10.7515 -10.7515 -10.0606 -10.0606 -9.3281 -9.3281 -9.0417 -9.0417 -8.5682 -8.5682 -8.3232 -8.3232 -0.0507 -0.0507 0.4842 0.4842 1.0341 1.0341 1.2675 1.2675 1.4343 1.4343 1.5956 1.5956 1.7635 1.7635 1.9563 1.9563 2.0701 2.0701 2.2024 2.2024 2.3701 2.3701 2.9374 2.9374 3.3459 3.3459 3.5627 3.5627 3.9844 3.9844 4.1466 4.1466 4.6618 4.6618 4.8873 4.8873 5.7129 5.7129 5.8160 5.8160 6.2425 6.2425 6.5704 6.5704 6.6885 6.6885 7.1169 7.1169 7.3426 7.3426 7.3938 7.3938 7.5226 7.5226 7.8340 7.8340 13.3945 13.3945 13.6905 13.6905 13.9620 13.9620 14.4985 14.4985 15.9820 15.9820 16.4388 16.4388 17.5153 17.5153 k = 0.7375-0.1741-0.1168 ( 4105 PWs) bands (ev): -10.7557 -10.7557 -10.0509 -10.0509 -9.3278 -9.3278 -9.0490 -9.0490 -8.5676 -8.5676 -8.3229 -8.3229 -0.0612 -0.0612 0.4759 0.4759 1.0437 1.0437 1.2674 1.2674 1.4346 1.4346 1.6030 1.6030 1.7621 1.7621 1.9584 1.9584 2.0734 2.0734 2.2018 2.2018 2.3802 2.3802 2.9481 2.9481 3.3583 3.3583 3.5553 3.5553 3.9693 3.9693 4.1616 4.1616 4.6627 4.6627 4.9106 4.9106 5.6936 5.6936 5.7684 5.7684 6.2408 6.2408 6.5880 6.5880 6.6986 6.6986 7.0839 7.0839 7.3342 7.3342 7.3907 7.3907 7.5388 7.5388 7.8298 7.8298 13.3971 13.3971 13.7295 13.7295 13.9843 13.9843 14.5028 14.5028 15.9668 15.9668 16.4167 16.4167 17.4724 17.4724 k = 0.7500-0.1629-0.1093 ( 4111 PWs) bands (ev): -10.7604 -10.7604 -10.0410 -10.0410 -9.3274 -9.3274 -9.0558 -9.0558 -8.5671 -8.5671 -8.3227 -8.3227 -0.0724 -0.0724 0.4691 0.4691 1.0540 1.0540 1.2673 1.2673 1.4331 1.4331 1.6100 1.6100 1.7608 1.7608 1.9603 1.9603 2.0768 2.0768 2.2015 2.2015 2.3897 2.3897 2.9577 2.9577 3.3692 3.3692 3.5399 3.5399 3.9638 3.9638 4.1792 4.1792 4.6628 4.6628 4.9341 4.9341 5.6651 5.6651 5.7322 5.7322 6.2384 6.2384 6.6047 6.6047 6.7083 6.7083 7.0496 7.0496 7.3246 7.3246 7.3904 7.3904 7.5569 7.5569 7.8245 7.8245 13.3953 13.3953 13.7673 13.7673 14.0075 14.0075 14.5070 14.5070 15.9571 15.9571 16.3916 16.3916 17.4320 17.4320 k = 0.7625-0.1518-0.1018 ( 4111 PWs) bands (ev): -10.7657 -10.7657 -10.0307 -10.0307 -9.3270 -9.3270 -9.0620 -9.0620 -8.5665 -8.5665 -8.3226 -8.3226 -0.0840 -0.0840 0.4638 0.4638 1.0651 1.0651 1.2670 1.2670 1.4300 1.4300 1.6165 1.6165 1.7598 1.7598 1.9620 1.9620 2.0804 2.0804 2.2018 2.2018 2.3984 2.3984 2.9663 2.9663 3.3790 3.3790 3.5159 3.5159 3.9690 3.9690 4.1986 4.1986 4.6617 4.6617 4.9572 4.9572 5.6264 5.6264 5.7102 5.7102 6.2354 6.2354 6.6205 6.6205 6.7164 6.7164 7.0152 7.0152 7.3143 7.3143 7.3933 7.3933 7.5759 7.5759 7.8181 7.8181 13.3885 13.3885 13.8035 13.8035 14.0312 14.0312 14.5117 14.5117 15.9530 15.9530 16.3638 16.3638 17.3944 17.3944 k = 0.7750-0.1406-0.0943 ( 4106 PWs) bands (ev): -10.7715 -10.7715 -10.0201 -10.0201 -9.3265 -9.3265 -9.0677 -9.0677 -8.5659 -8.5659 -8.3226 -8.3226 -0.0961 -0.0961 0.4601 0.4601 1.0769 1.0769 1.2665 1.2665 1.4256 1.4256 1.6223 1.6223 1.7593 1.7593 1.9636 1.9636 2.0840 2.0840 2.2025 2.2025 2.4059 2.4059 2.9738 2.9738 3.3877 3.3877 3.4844 3.4844 3.9833 3.9833 4.2195 4.2195 4.6593 4.6593 4.9788 4.9788 5.5850 5.5850 5.6967 5.6967 6.2320 6.2320 6.6350 6.6350 6.7220 6.7220 6.9823 6.9823 7.3034 7.3034 7.3997 7.3997 7.5950 7.5950 7.8108 7.8108 13.3762 13.3762 13.8380 13.8380 14.0551 14.0551 14.5172 14.5172 15.9546 15.9546 16.3336 16.3336 17.3598 17.3598 Writing output data file CdGeO3.save init_run : 0.83s CPU 1.06s WALL ( 1 calls) electrons : 354.99s CPU 359.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 354.99s CPU 359.94s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 268 calls) cegterg : 336.25s CPU 339.98s WALL ( 631 calls) Called by sum_band: Called by *egterg: h_psi : 173.01s CPU 175.18s WALL ( 10854 calls) s_psi : 8.51s CPU 8.55s WALL ( 10854 calls) g_psi : 0.39s CPU 0.35s WALL ( 9955 calls) cdiaghg : 134.64s CPU 136.67s WALL ( 10223 calls) cegterg:over : 13.04s CPU 13.01s WALL ( 9955 calls) cegterg:upda : 11.95s CPU 11.72s WALL ( 9955 calls) cegterg:last : 5.96s CPU 6.06s WALL ( 1435 calls) cdiaghg:chol : 7.72s CPU 8.06s WALL ( 10223 calls) cdiaghg:inve : 5.72s CPU 5.81s WALL ( 10223 calls) cdiaghg:para : 10.03s CPU 10.04s WALL ( 20446 calls) Called by h_psi: h_psi:vloc : 151.76s CPU 153.66s WALL ( 10854 calls) h_psi:vnl : 20.86s CPU 21.12s WALL ( 10854 calls) add_vuspsi : 10.46s CPU 10.65s WALL ( 10854 calls) General routines calbec : 10.37s CPU 10.44s WALL ( 10854 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 130.79s CPU 132.20s WALL ( 1276048 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.25s WALL ( 536 calls) Parallel routines fft_scatter : 44.63s CPU 45.51s WALL ( 1276071 calls) PWSCF : 6m15.41s CPU 6m50.35s WALL This run was terminated on: 16:57:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=