Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 9:27 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: ./MgCO6.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 42 25 7 1201 567 90 Max 43 26 8 1205 583 94 Sum 1517 935 273 43291 20713 3331 bravais-lattice index = 14 lattice parameter (alat) = 7.1141 a.u. unit-cell volume = 337.8580 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.114084 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.215642 celldm(5)= 0.215642 celldm(6)= 0.215642 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.215642 0.976472 0.000000 ) a(3) = ( 0.215642 0.173216 0.960986 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.220838 -0.184591 ) b(2) = ( 0.000000 1.024094 -0.184591 ) b(3) = ( 0.000000 0.000000 1.040598 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Mg 10.00 24.30500 Mg( 1.00) C 4.00 12.01070 C( 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= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0113636 -0.0025095 -0.0020976), wk = 0.0029070 k( 3) = ( 0.0227273 -0.0050191 -0.0041953), wk = 0.0029070 k( 4) = ( 0.0340909 -0.0075286 -0.0062929), wk = 0.0029070 k( 5) = ( 0.0454546 -0.0100381 -0.0083905), wk = 0.0029070 k( 6) = ( 0.0568182 -0.0125476 -0.0104881), wk = 0.0029070 k( 7) = ( 0.0681818 -0.0150572 -0.0125858), wk = 0.0029070 k( 8) = ( 0.0795455 -0.0175667 -0.0146834), wk = 0.0029070 k( 9) = ( 0.0909091 -0.0200762 -0.0167810), wk = 0.0029070 k( 10) = ( 0.1022727 -0.0225857 -0.0188787), wk = 0.0029070 k( 11) = ( 0.1136364 -0.0250953 -0.0209763), wk = 0.0029070 k( 12) = ( 0.1250000 -0.0276048 -0.0230739), wk = 0.0029070 k( 13) = ( 0.1363636 -0.0301143 -0.0251715), wk = 0.0029070 k( 14) = ( 0.1477273 -0.0326238 -0.0272692), wk = 0.0029070 k( 15) = ( 0.1590909 -0.0351334 -0.0293668), wk = 0.0029070 k( 16) = ( 0.1704546 -0.0376429 -0.0314644), wk = 0.0029070 k( 17) = ( 0.1818182 -0.0401524 -0.0335621), wk = 0.0029070 k( 18) = ( 0.1931818 -0.0426619 -0.0356597), wk = 0.0029070 k( 19) = ( 0.2045454 -0.0451715 -0.0377573), wk = 0.0029070 k( 20) = ( 0.2159091 -0.0476810 -0.0398549), wk = 0.0029070 k( 21) = ( 0.2272727 -0.0501905 -0.0419526), wk = 0.0029070 k( 22) = ( 0.2386364 -0.0527000 -0.0440502), wk = 0.0029070 k( 23) = ( 0.2500000 -0.0552096 -0.0461478), wk = 0.0029070 k( 24) = ( 0.2613636 -0.0577191 -0.0482455), wk = 0.0029070 k( 25) = ( 0.2727273 -0.0602286 -0.0503431), wk = 0.0029070 k( 26) = ( 0.2840909 -0.0627381 -0.0524407), wk = 0.0029070 k( 27) = ( 0.2954545 -0.0652477 -0.0545383), wk = 0.0029070 k( 28) = ( 0.3068182 -0.0677572 -0.0566360), wk = 0.0029070 k( 29) = ( 0.3181818 -0.0702667 -0.0587336), wk = 0.0029070 k( 30) = ( 0.3295455 -0.0727762 -0.0608312), wk = 0.0029070 k( 31) = ( 0.3409091 -0.0752858 -0.0629289), wk = 0.0029070 k( 32) = ( 0.3522727 -0.0777953 -0.0650265), wk = 0.0029070 k( 33) = ( 0.3636364 -0.0803048 -0.0671241), wk = 0.0029070 k( 34) = ( 0.3750000 -0.0828143 -0.0692217), wk = 0.0029070 k( 35) = ( 0.3863636 -0.0853239 -0.0713194), wk = 0.0029070 k( 36) = ( 0.3977273 -0.0878334 -0.0734170), wk = 0.0029070 k( 37) = ( 0.4090909 -0.0903429 -0.0755146), wk = 0.0029070 k( 38) = ( 0.4204545 -0.0928524 -0.0776123), wk = 0.0029070 k( 39) = ( 0.4318182 -0.0953620 -0.0797099), wk = 0.0029070 k( 40) = ( 0.4431818 -0.0978715 -0.0818075), wk = 0.0029070 k( 41) = ( 0.4545455 -0.1003810 -0.0839051), wk = 0.0029070 k( 42) = ( 0.4659091 -0.1028905 -0.0860028), wk = 0.0029070 k( 43) = ( 0.4772727 -0.1054001 -0.0881004), wk = 0.0029070 k( 44) = ( 0.4886364 -0.1079096 -0.0901980), wk = 0.0029070 k( 45) = ( 0.5000000 -0.1104191 -0.0922957), wk = 0.0029070 k( 46) = ( 0.5000000 -0.1104191 -0.0922957), wk = 0.0029070 k( 47) = ( 0.5000000 -0.1028073 -0.1014021), wk = 0.0029070 k( 48) = ( 0.5000000 -0.0951956 -0.1105086), wk = 0.0029070 k( 49) = ( 0.5000000 -0.0875838 -0.1196150), wk = 0.0029070 k( 50) = ( 0.5000000 -0.0799720 -0.1287215), wk = 0.0029070 k( 51) = ( 0.5000000 -0.0723602 -0.1378279), wk = 0.0029070 k( 52) = ( 0.5000000 -0.0647485 -0.1469343), wk = 0.0029070 k( 53) = ( 0.5000000 -0.0571367 -0.1560408), wk = 0.0029070 k( 54) = ( 0.5000000 -0.0495249 -0.1651473), wk = 0.0029070 k( 55) = ( 0.5000000 -0.0419131 -0.1742537), wk = 0.0029070 k( 56) = ( 0.5000000 -0.0343013 -0.1833602), wk = 0.0029070 k( 57) = ( 0.5000000 -0.0266896 -0.1924666), wk = 0.0029070 k( 58) = ( 0.5000000 -0.0190778 -0.2015731), wk = 0.0029070 k( 59) = ( 0.5000000 -0.0114660 -0.2106795), wk = 0.0029070 k( 60) = ( 0.5000000 -0.0038542 -0.2197860), wk = 0.0029070 k( 61) = ( 0.5000000 0.0037575 -0.2288924), wk = 0.0029070 k( 62) = ( 0.5000000 0.0113693 -0.2379989), wk = 0.0029070 k( 63) = ( 0.5000000 0.0189811 -0.2471053), wk = 0.0029070 k( 64) = ( 0.5000000 0.0265929 -0.2562118), wk = 0.0029070 k( 65) = ( 0.5000000 0.0342047 -0.2653182), wk = 0.0029070 k( 66) = ( 0.5000000 0.0418164 -0.2744247), wk = 0.0029070 k( 67) = ( 0.5000000 0.0494282 -0.2835311), wk = 0.0029070 k( 68) = ( 0.5000000 0.0570400 -0.2926376), wk = 0.0029070 k( 69) = ( 0.5000000 0.0646518 -0.3017440), wk = 0.0029070 k( 70) = ( 0.5000000 0.0722635 -0.3108505), wk = 0.0029070 k( 71) = ( 0.5000000 0.0798753 -0.3199569), wk = 0.0029070 k( 72) = ( 0.5000000 0.0874871 -0.3290634), wk = 0.0029070 k( 73) = ( 0.5000000 0.0950989 -0.3381698), wk = 0.0029070 k( 74) = ( 0.5000000 0.1027107 -0.3472763), wk = 0.0029070 k( 75) = ( 0.5000000 0.1103224 -0.3563827), wk = 0.0029070 k( 76) = ( 0.5000000 0.1179342 -0.3654892), wk = 0.0029070 k( 77) = ( 0.5000000 0.1255460 -0.3745956), wk = 0.0029070 k( 78) = ( 0.5000000 0.1331578 -0.3837021), wk = 0.0029070 k( 79) = ( 0.5000000 0.1407695 -0.3928085), wk = 0.0029070 k( 80) = ( 0.5000000 0.1483813 -0.4019150), wk = 0.0029070 k( 81) = ( 0.5000000 0.1559931 -0.4110214), wk = 0.0029070 k( 82) = ( 0.5000000 0.1636049 -0.4201279), wk = 0.0029070 k( 83) = ( 0.5000000 0.1712167 -0.4292343), wk = 0.0029070 k( 84) = ( 0.5000000 0.1788284 -0.4383408), wk = 0.0029070 k( 85) = ( 0.5000000 0.1864402 -0.4474472), wk = 0.0029070 k( 86) = ( 0.5000000 0.1940520 -0.4565537), wk = 0.0029070 k( 87) = ( 0.5000000 0.2016638 -0.4656601), wk = 0.0029070 k( 88) = ( 0.5000000 0.2092755 -0.4747666), wk = 0.0029070 k( 89) = ( 0.5000000 0.2168873 -0.4838730), wk = 0.0029070 k( 90) = ( 0.5000000 0.2244991 -0.4929795), wk = 0.0029070 k( 91) = ( 0.5000000 0.2321109 -0.5020859), wk = 0.0029070 k( 92) = ( 0.5000000 0.2397226 -0.5111924), wk = 0.0029070 k( 93) = ( 0.5000000 0.2473344 -0.5202988), wk = 0.0029070 k( 94) = ( 0.6506635 0.3683559 0.1511162), wk = 0.0029070 k( 95) = ( 0.6434891 0.3699402 0.1599063), wk = 0.0029070 k( 96) = ( 0.6363146 0.3715246 0.1686963), wk = 0.0029070 k( 97) = ( 0.6291402 0.3731090 0.1774864), wk = 0.0029070 k( 98) = ( 0.6219657 0.3746934 0.1862765), wk = 0.0029070 k( 99) = ( 0.6147913 0.3762778 0.1950665), wk = 0.0029070 k( 100) = ( 0.6076168 0.3778622 0.2038566), wk = 0.0029070 k( 101) = ( 0.6004424 0.3794466 0.2126467), wk = 0.0029070 k( 102) = ( 0.5932679 0.3810310 0.2214367), wk = 0.0029070 k( 103) = ( 0.5860935 0.3826154 0.2302268), wk = 0.0029070 k( 104) = ( 0.5789190 0.3841998 0.2390168), wk = 0.0029070 k( 105) = ( 0.5717445 0.3857842 0.2478069), wk = 0.0029070 k( 106) = ( 0.5645701 0.3873686 0.2565970), wk = 0.0029070 k( 107) = ( 0.5573956 0.3889530 0.2653870), wk = 0.0029070 k( 108) = ( 0.5502212 0.3905374 0.2741771), wk = 0.0029070 k( 109) = ( 0.5430467 0.3921218 0.2829671), wk = 0.0029070 k( 110) = ( 0.5358723 0.3937062 0.2917572), wk = 0.0029070 k( 111) = ( 0.5286978 0.3952905 0.3005473), wk = 0.0029070 k( 112) = ( 0.5215234 0.3968749 0.3093373), wk = 0.0029070 k( 113) = ( 0.5143489 0.3984593 0.3181274), wk = 0.0029070 k( 114) = ( 0.5071745 0.4000437 0.3269175), wk = 0.0029070 k( 115) = ( 0.5000000 0.4016281 0.3357075), wk = 0.0029070 k( 116) = ( 0.5000000 0.4016281 0.3357075), wk = 0.0029070 k( 117) = ( 0.4918033 0.3950441 0.3302041), wk = 0.0029070 k( 118) = ( 0.4836066 0.3884600 0.3247007), wk = 0.0029070 k( 119) = ( 0.4754098 0.3818759 0.3191973), wk = 0.0029070 k( 120) = ( 0.4672131 0.3752919 0.3136939), wk = 0.0029070 k( 121) = ( 0.4590164 0.3687078 0.3081905), wk = 0.0029070 k( 122) = ( 0.4508197 0.3621237 0.3026871), wk = 0.0029070 k( 123) = ( 0.4426230 0.3555397 0.2971837), wk = 0.0029070 k( 124) = ( 0.4344262 0.3489556 0.2916803), wk = 0.0029070 k( 125) = ( 0.4262295 0.3423715 0.2861769), wk = 0.0029070 k( 126) = ( 0.4180328 0.3357875 0.2806735), wk = 0.0029070 k( 127) = ( 0.4098361 0.3292034 0.2751701), wk = 0.0029070 k( 128) = ( 0.4016393 0.3226193 0.2696667), wk = 0.0029070 k( 129) = ( 0.3934426 0.3160352 0.2641633), wk = 0.0029070 k( 130) = ( 0.3852459 0.3094512 0.2586599), wk = 0.0029070 k( 131) = ( 0.3770492 0.3028671 0.2531565), wk = 0.0029070 k( 132) = ( 0.3688525 0.2962830 0.2476531), wk = 0.0029070 k( 133) = ( 0.3606557 0.2896990 0.2421497), wk = 0.0029070 k( 134) = ( 0.3524590 0.2831149 0.2366463), wk = 0.0029070 k( 135) = ( 0.3442623 0.2765308 0.2311429), wk = 0.0029070 k( 136) = ( 0.3360656 0.2699468 0.2256395), wk = 0.0029070 k( 137) = ( 0.3278688 0.2633627 0.2201361), wk = 0.0029070 k( 138) = ( 0.3196721 0.2567786 0.2146327), wk = 0.0029070 k( 139) = ( 0.3114754 0.2501946 0.2091293), wk = 0.0029070 k( 140) = ( 0.3032787 0.2436105 0.2036259), wk = 0.0029070 k( 141) = ( 0.2950820 0.2370264 0.1981225), wk = 0.0029070 k( 142) = ( 0.2868852 0.2304424 0.1926191), wk = 0.0029070 k( 143) = ( 0.2786885 0.2238583 0.1871157), wk = 0.0029070 k( 144) = ( 0.2704918 0.2172742 0.1816123), wk = 0.0029070 k( 145) = ( 0.2622951 0.2106902 0.1761089), wk = 0.0029070 k( 146) = ( 0.2540984 0.2041061 0.1706055), wk = 0.0029070 k( 147) = ( 0.2459016 0.1975220 0.1651021), wk = 0.0029070 k( 148) = ( 0.2377049 0.1909380 0.1595987), wk = 0.0029070 k( 149) = ( 0.2295082 0.1843539 0.1540953), wk = 0.0029070 k( 150) = ( 0.2213115 0.1777698 0.1485919), wk = 0.0029070 k( 151) = ( 0.2131147 0.1711858 0.1430885), wk = 0.0029070 k( 152) = ( 0.2049180 0.1646017 0.1375850), wk = 0.0029070 k( 153) = ( 0.1967213 0.1580176 0.1320816), wk = 0.0029070 k( 154) = ( 0.1885246 0.1514336 0.1265782), wk = 0.0029070 k( 155) = ( 0.1803279 0.1448495 0.1210748), wk = 0.0029070 k( 156) = ( 0.1721312 0.1382654 0.1155714), wk = 0.0029070 k( 157) = ( 0.1639344 0.1316814 0.1100680), wk = 0.0029070 k( 158) = ( 0.1557377 0.1250973 0.1045646), wk = 0.0029070 k( 159) = ( 0.1475410 0.1185132 0.0990612), wk = 0.0029070 k( 160) = ( 0.1393443 0.1119291 0.0935578), wk = 0.0029070 k( 161) = ( 0.1311475 0.1053451 0.0880544), wk = 0.0029070 k( 162) = ( 0.1229508 0.0987610 0.0825510), wk = 0.0029070 k( 163) = ( 0.1147541 0.0921769 0.0770476), wk = 0.0029070 k( 164) = ( 0.1065574 0.0855929 0.0715442), wk = 0.0029070 k( 165) = ( 0.0983607 0.0790088 0.0660408), wk = 0.0029070 k( 166) = ( 0.0901639 0.0724247 0.0605374), wk = 0.0029070 k( 167) = ( 0.0819672 0.0658407 0.0550340), wk = 0.0029070 k( 168) = ( 0.0737705 0.0592566 0.0495306), wk = 0.0029070 k( 169) = ( 0.0655738 0.0526725 0.0440272), wk = 0.0029070 k( 170) = ( 0.0573770 0.0460885 0.0385238), wk = 0.0029070 k( 171) = ( 0.0491803 0.0395044 0.0330204), wk = 0.0029070 k( 172) = ( 0.0409836 0.0329203 0.0275170), wk = 0.0029070 k( 173) = ( 0.0327869 0.0263363 0.0220136), wk = 0.0029070 k( 174) = ( 0.0245902 0.0197522 0.0165102), wk = 0.0029070 k( 175) = ( 0.0163934 0.0131681 0.0110068), wk = 0.0029070 k( 176) = ( 0.0081967 0.0065841 0.0055034), wk = 0.0029070 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 179) = ( 0.0074503 -0.0016453 -0.0091280), wk = 0.0029070 k( 180) = ( 0.0149006 -0.0032906 -0.0182561), wk = 0.0029070 k( 181) = ( 0.0223510 -0.0049359 -0.0273841), wk = 0.0029070 k( 182) = ( 0.0298013 -0.0065813 -0.0365122), wk = 0.0029070 k( 183) = ( 0.0372516 -0.0082266 -0.0456402), wk = 0.0029070 k( 184) = ( 0.0447019 -0.0098719 -0.0547683), wk = 0.0029070 k( 185) = ( 0.0521522 -0.0115172 -0.0638963), wk = 0.0029070 k( 186) = ( 0.0596026 -0.0131625 -0.0730244), wk = 0.0029070 k( 187) = ( 0.0670529 -0.0148078 -0.0821524), wk = 0.0029070 k( 188) = ( 0.0745032 -0.0164532 -0.0912805), wk = 0.0029070 k( 189) = ( 0.0819535 -0.0180985 -0.1004085), wk = 0.0029070 k( 190) = ( 0.0894038 -0.0197438 -0.1095366), wk = 0.0029070 k( 191) = ( 0.0968542 -0.0213891 -0.1186646), wk = 0.0029070 k( 192) = ( 0.1043045 -0.0230344 -0.1277927), wk = 0.0029070 k( 193) = ( 0.1117548 -0.0246797 -0.1369207), wk = 0.0029070 k( 194) = ( 0.1192051 -0.0263250 -0.1460488), wk = 0.0029070 k( 195) = ( 0.1266554 -0.0279704 -0.1551768), wk = 0.0029070 k( 196) = ( 0.1341058 -0.0296157 -0.1643049), wk = 0.0029070 k( 197) = ( 0.1415561 -0.0312610 -0.1734329), wk = 0.0029070 k( 198) = ( 0.1490064 -0.0329063 -0.1825610), wk = 0.0029070 k( 199) = ( 0.1564567 -0.0345516 -0.1916890), wk = 0.0029070 k( 200) = ( 0.1639070 -0.0361969 -0.2008171), wk = 0.0029070 k( 201) = ( 0.1713574 -0.0378423 -0.2099451), wk = 0.0029070 k( 202) = ( 0.1788077 -0.0394876 -0.2190732), wk = 0.0029070 k( 203) = ( 0.1862580 -0.0411329 -0.2282012), wk = 0.0029070 k( 204) = ( 0.1937083 -0.0427782 -0.2373293), wk = 0.0029070 k( 205) = ( 0.2011586 -0.0444235 -0.2464573), wk = 0.0029070 k( 206) = ( 0.2086090 -0.0460688 -0.2555854), wk = 0.0029070 k( 207) = ( 0.2160593 -0.0477142 -0.2647134), wk = 0.0029070 k( 208) = ( 0.2235096 -0.0493595 -0.2738415), wk = 0.0029070 k( 209) = ( 0.2309599 -0.0510048 -0.2829695), wk = 0.0029070 k( 210) = ( 0.2384102 -0.0526501 -0.2920976), wk = 0.0029070 k( 211) = ( 0.2458606 -0.0542954 -0.3012256), wk = 0.0029070 k( 212) = ( 0.2533109 -0.0559407 -0.3103537), wk = 0.0029070 k( 213) = ( 0.2607612 -0.0575860 -0.3194817), wk = 0.0029070 k( 214) = ( 0.2682115 -0.0592314 -0.3286098), wk = 0.0029070 k( 215) = ( 0.2756618 -0.0608767 -0.3377378), wk = 0.0029070 k( 216) = ( 0.2831122 -0.0625220 -0.3468659), wk = 0.0029070 k( 217) = ( 0.2905625 -0.0641673 -0.3559939), wk = 0.0029070 k( 218) = ( 0.2980128 -0.0658126 -0.3651220), wk = 0.0029070 k( 219) = ( 0.3054631 -0.0674579 -0.3742500), wk = 0.0029070 k( 220) = ( 0.3129134 -0.0691033 -0.3833781), wk = 0.0029070 k( 221) = ( 0.3203638 -0.0707486 -0.3925061), wk = 0.0029070 k( 222) = ( 0.3278141 -0.0723939 -0.4016342), wk = 0.0029070 k( 223) = ( 0.3352644 -0.0740392 -0.4107622), wk = 0.0029070 k( 224) = ( 0.3427147 -0.0756845 -0.4198903), wk = 0.0029070 k( 225) = ( 0.3501650 -0.0773298 -0.4290183), wk = 0.0029070 k( 226) = ( 0.3576153 -0.0789751 -0.4381464), wk = 0.0029070 k( 227) = ( 0.3650657 -0.0806205 -0.4472744), wk = 0.0029070 k( 228) = ( 0.3725160 -0.0822658 -0.4564025), wk = 0.0029070 k( 229) = ( 0.3799663 -0.0839111 -0.4655305), wk = 0.0029070 k( 230) = ( 0.3874166 -0.0855564 -0.4746586), wk = 0.0029070 k( 231) = ( 0.3948669 -0.0872017 -0.4837866), wk = 0.0029070 k( 232) = ( 0.4023173 -0.0888470 -0.4929147), wk = 0.0029070 k( 233) = ( 0.4097676 -0.0904924 -0.5020427), wk = 0.0029070 k( 234) = ( 0.4172179 -0.0921377 -0.5111708), wk = 0.0029070 k( 235) = ( 0.4246682 -0.0937830 -0.5202988), wk = 0.0029070 k( 236) = ( 0.5753318 0.3078451 -0.1845913), wk = 0.0029070 k( 237) = ( 0.5684834 0.3163709 -0.1845913), wk = 0.0029070 k( 238) = ( 0.5616351 0.3248966 -0.1845913), wk = 0.0029070 k( 239) = ( 0.5547867 0.3334223 -0.1845913), wk = 0.0029070 k( 240) = ( 0.5479384 0.3419480 -0.1845913), wk = 0.0029070 k( 241) = ( 0.5410901 0.3504738 -0.1845913), wk = 0.0029070 k( 242) = ( 0.5342417 0.3589995 -0.1845913), wk = 0.0029070 k( 243) = ( 0.5273934 0.3675252 -0.1845913), wk = 0.0029070 k( 244) = ( 0.5205450 0.3760509 -0.1845913), wk = 0.0029070 k( 245) = ( 0.5136967 0.3845767 -0.1845913), wk = 0.0029070 k( 246) = ( 0.5068483 0.3931024 -0.1845913), wk = 0.0029070 k( 247) = ( 0.5000000 0.4016281 -0.1845913), wk = 0.0029070 k( 248) = ( 0.5000000 0.4016281 -0.1845913), wk = 0.0029070 k( 249) = ( 0.5025111 0.4036452 -0.1734011), wk = 0.0029070 k( 250) = ( 0.5050221 0.4056622 -0.1622108), wk = 0.0029070 k( 251) = ( 0.5075332 0.4076792 -0.1510205), wk = 0.0029070 k( 252) = ( 0.5100442 0.4096962 -0.1398303), wk = 0.0029070 k( 253) = ( 0.5125553 0.4117132 -0.1286401), wk = 0.0029070 k( 254) = ( 0.5150664 0.4137303 -0.1174498), wk = 0.0029070 k( 255) = ( 0.5175774 0.4157473 -0.1062595), wk = 0.0029070 k( 256) = ( 0.5200885 0.4177643 -0.0950693), wk = 0.0029070 k( 257) = ( 0.5225995 0.4197813 -0.0838790), wk = 0.0029070 k( 258) = ( 0.5251106 0.4217984 -0.0726888), wk = 0.0029070 k( 259) = ( 0.5276217 0.4238154 -0.0614985), wk = 0.0029070 k( 260) = ( 0.5301327 0.4258324 -0.0503083), wk = 0.0029070 k( 261) = ( 0.5326438 0.4278494 -0.0391180), wk = 0.0029070 k( 262) = ( 0.5351548 0.4298665 -0.0279278), wk = 0.0029070 k( 263) = ( 0.5376659 0.4318835 -0.0167375), wk = 0.0029070 k( 264) = ( 0.5401769 0.4339005 -0.0055473), wk = 0.0029070 k( 265) = ( 0.5426880 0.4359175 0.0056430), wk = 0.0029070 k( 266) = ( 0.5451991 0.4379346 0.0168332), wk = 0.0029070 k( 267) = ( 0.5477101 0.4399516 0.0280235), wk = 0.0029070 k( 268) = ( 0.5502212 0.4419686 0.0392137), wk = 0.0029070 k( 269) = ( 0.5527322 0.4439856 0.0504040), wk = 0.0029070 k( 270) = ( 0.5552433 0.4460027 0.0615942), wk = 0.0029070 k( 271) = ( 0.5577544 0.4480197 0.0727845), wk = 0.0029070 k( 272) = ( 0.5602654 0.4500367 0.0839747), wk = 0.0029070 k( 273) = ( 0.5627765 0.4520537 0.0951650), wk = 0.0029070 k( 274) = ( 0.5652875 0.4540707 0.1063552), wk = 0.0029070 k( 275) = ( 0.5677986 0.4560878 0.1175455), wk = 0.0029070 k( 276) = ( 0.5703097 0.4581048 0.1287357), wk = 0.0029070 k( 277) = ( 0.5728207 0.4601218 0.1399260), wk = 0.0029070 k( 278) = ( 0.5753318 0.4621388 0.1511162), wk = 0.0029070 k( 279) = ( 0.5753318 0.4621388 0.1511162), wk = 0.0029070 k( 280) = ( 0.5711467 0.4587771 0.1613713), wk = 0.0029070 k( 281) = ( 0.5669616 0.4554154 0.1716264), wk = 0.0029070 k( 282) = ( 0.5627765 0.4520537 0.1818814), wk = 0.0029070 k( 283) = ( 0.5585914 0.4486920 0.1921365), wk = 0.0029070 k( 284) = ( 0.5544063 0.4453303 0.2023916), wk = 0.0029070 k( 285) = ( 0.5502212 0.4419686 0.2126467), wk = 0.0029070 k( 286) = ( 0.5460361 0.4386069 0.2229017), wk = 0.0029070 k( 287) = ( 0.5418510 0.4352452 0.2331568), wk = 0.0029070 k( 288) = ( 0.5376659 0.4318835 0.2434119), wk = 0.0029070 k( 289) = ( 0.5334808 0.4285218 0.2536669), wk = 0.0029070 k( 290) = ( 0.5292957 0.4251601 0.2639220), wk = 0.0029070 k( 291) = ( 0.5251106 0.4217984 0.2741771), wk = 0.0029070 k( 292) = ( 0.5209255 0.4184367 0.2844322), wk = 0.0029070 k( 293) = ( 0.5167404 0.4150749 0.2946872), wk = 0.0029070 k( 294) = ( 0.5125553 0.4117132 0.3049423), wk = 0.0029070 k( 295) = ( 0.5083702 0.4083515 0.3151974), wk = 0.0029070 k( 296) = ( 0.5041851 0.4049898 0.3254524), wk = 0.0029070 k( 297) = ( 0.5000000 0.4016281 0.3357075), wk = 0.0029070 k( 298) = ( 0.5000000 -0.1104191 -0.0922957), wk = 0.0029070 k( 299) = ( 0.5032753 -0.1016881 -0.0849977), wk = 0.0029070 k( 300) = ( 0.5065506 -0.0929570 -0.0776997), wk = 0.0029070 k( 301) = ( 0.5098259 -0.0842260 -0.0704017), wk = 0.0029070 k( 302) = ( 0.5131012 -0.0754949 -0.0631037), wk = 0.0029070 k( 303) = ( 0.5163765 -0.0667639 -0.0558057), wk = 0.0029070 k( 304) = ( 0.5196518 -0.0580328 -0.0485077), wk = 0.0029070 k( 305) = ( 0.5229271 -0.0493018 -0.0412097), wk = 0.0029070 k( 306) = ( 0.5262024 -0.0405708 -0.0339117), wk = 0.0029070 k( 307) = ( 0.5294777 -0.0318397 -0.0266137), wk = 0.0029070 k( 308) = ( 0.5327529 -0.0231087 -0.0193158), wk = 0.0029070 k( 309) = ( 0.5360282 -0.0143776 -0.0120178), wk = 0.0029070 k( 310) = ( 0.5393035 -0.0056466 -0.0047198), wk = 0.0029070 k( 311) = ( 0.5425788 0.0030845 0.0025782), wk = 0.0029070 k( 312) = ( 0.5458541 0.0118155 0.0098762), wk = 0.0029070 k( 313) = ( 0.5491294 0.0205466 0.0171742), wk = 0.0029070 k( 314) = ( 0.5524047 0.0292776 0.0244722), wk = 0.0029070 k( 315) = ( 0.5556800 0.0380087 0.0317702), wk = 0.0029070 k( 316) = ( 0.5589553 0.0467397 0.0390682), wk = 0.0029070 k( 317) = ( 0.5622306 0.0554708 0.0463661), wk = 0.0029070 k( 318) = ( 0.5655059 0.0642018 0.0536641), wk = 0.0029070 k( 319) = ( 0.5687812 0.0729329 0.0609621), wk = 0.0029070 k( 320) = ( 0.5720565 0.0816639 0.0682601), wk = 0.0029070 k( 321) = ( 0.5753318 0.0903949 0.0755581), wk = 0.0029070 k( 322) = ( 0.5786071 0.0991260 0.0828561), wk = 0.0029070 k( 323) = ( 0.5818824 0.1078570 0.0901541), wk = 0.0029070 k( 324) = ( 0.5851576 0.1165881 0.0974521), wk = 0.0029070 k( 325) = ( 0.5884329 0.1253191 0.1047501), wk = 0.0029070 k( 326) = ( 0.5917082 0.1340502 0.1120481), wk = 0.0029070 k( 327) = ( 0.5949835 0.1427812 0.1193460), wk = 0.0029070 k( 328) = ( 0.5982588 0.1515123 0.1266440), wk = 0.0029070 k( 329) = ( 0.6015341 0.1602433 0.1339420), wk = 0.0029070 k( 330) = ( 0.6048094 0.1689744 0.1412400), wk = 0.0029070 k( 331) = ( 0.6080847 0.1777054 0.1485380), wk = 0.0029070 k( 332) = ( 0.6113600 0.1864364 0.1558360), wk = 0.0029070 k( 333) = ( 0.6146353 0.1951675 0.1631340), wk = 0.0029070 k( 334) = ( 0.6179106 0.2038985 0.1704320), wk = 0.0029070 k( 335) = ( 0.6211859 0.2126296 0.1777300), wk = 0.0029070 k( 336) = ( 0.6244612 0.2213606 0.1850280), wk = 0.0029070 k( 337) = ( 0.6277365 0.2300917 0.1923259), wk = 0.0029070 k( 338) = ( 0.6310118 0.2388227 0.1996239), wk = 0.0029070 k( 339) = ( 0.6342871 0.2475538 0.2069219), wk = 0.0029070 k( 340) = ( 0.6375624 0.2562848 0.2142199), wk = 0.0029070 k( 341) = ( 0.6408377 0.2650159 0.2215179), wk = 0.0029070 k( 342) = ( 0.6441130 0.2737469 0.2288159), wk = 0.0029070 k( 343) = ( 0.6473882 0.2824780 0.2361139), wk = 0.0029070 k( 344) = ( 0.6506635 0.2912090 0.2434119), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0113636 0.0000000 -0.0000000), wk = 0.0029070 k( 3) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0029070 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0029070 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0029070 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0029070 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029070 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0029070 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0029070 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0029070 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0029070 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0029070 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0029070 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0029070 k( 20) = ( 0.2159091 0.0000000 -0.0000000), wk = 0.0029070 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0029070 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0029070 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029070 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0029070 k( 25) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0029070 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0029070 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0029070 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0029070 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0029070 k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0029070 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0029070 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0029070 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0029070 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029070 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0029070 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0029070 k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0029070 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0029070 k( 39) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0029070 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0029070 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0029070 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0029070 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0029070 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0029070 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029070 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029070 k( 47) = ( 0.5000000 0.0074327 -0.0074327), wk = 0.0029070 k( 48) = ( 0.5000000 0.0148654 -0.0148654), wk = 0.0029070 k( 49) = ( 0.5000000 0.0222981 -0.0222981), wk = 0.0029070 k( 50) = ( 0.5000000 0.0297308 -0.0297308), wk = 0.0029070 k( 51) = ( 0.5000000 0.0371635 -0.0371635), wk = 0.0029070 k( 52) = ( 0.5000000 0.0445961 -0.0445961), wk = 0.0029070 k( 53) = ( 0.5000000 0.0520288 -0.0520288), wk = 0.0029070 k( 54) = ( 0.5000000 0.0594615 -0.0594615), wk = 0.0029070 k( 55) = ( 0.5000000 0.0668942 -0.0668942), wk = 0.0029070 k( 56) = ( 0.5000000 0.0743269 -0.0743269), wk = 0.0029070 k( 57) = ( 0.5000000 0.0817596 -0.0817596), wk = 0.0029070 k( 58) = ( 0.5000000 0.0891923 -0.0891923), wk = 0.0029070 k( 59) = ( 0.5000000 0.0966250 -0.0966250), wk = 0.0029070 k( 60) = ( 0.5000000 0.1040577 -0.1040577), wk = 0.0029070 k( 61) = ( 0.5000000 0.1114904 -0.1114904), wk = 0.0029070 k( 62) = ( 0.5000000 0.1189231 -0.1189231), wk = 0.0029070 k( 63) = ( 0.5000000 0.1263557 -0.1263557), wk = 0.0029070 k( 64) = ( 0.5000000 0.1337884 -0.1337884), wk = 0.0029070 k( 65) = ( 0.5000000 0.1412211 -0.1412211), wk = 0.0029070 k( 66) = ( 0.5000000 0.1486538 -0.1486538), wk = 0.0029070 k( 67) = ( 0.5000000 0.1560865 -0.1560865), wk = 0.0029070 k( 68) = ( 0.5000000 0.1635192 -0.1635192), wk = 0.0029070 k( 69) = ( 0.5000000 0.1709519 -0.1709519), wk = 0.0029070 k( 70) = ( 0.5000000 0.1783846 -0.1783846), wk = 0.0029070 k( 71) = ( 0.5000000 0.1858173 -0.1858173), wk = 0.0029070 k( 72) = ( 0.5000000 0.1932500 -0.1932500), wk = 0.0029070 k( 73) = ( 0.5000000 0.2006827 -0.2006827), wk = 0.0029070 k( 74) = ( 0.5000000 0.2081153 -0.2081153), wk = 0.0029070 k( 75) = ( 0.5000000 0.2155480 -0.2155480), wk = 0.0029070 k( 76) = ( 0.5000000 0.2229807 -0.2229807), wk = 0.0029070 k( 77) = ( 0.5000000 0.2304134 -0.2304134), wk = 0.0029070 k( 78) = ( 0.5000000 0.2378461 -0.2378461), wk = 0.0029070 k( 79) = ( 0.5000000 0.2452788 -0.2452788), wk = 0.0029070 k( 80) = ( 0.5000000 0.2527115 -0.2527115), wk = 0.0029070 k( 81) = ( 0.5000000 0.2601442 -0.2601442), wk = 0.0029070 k( 82) = ( 0.5000000 0.2675769 -0.2675769), wk = 0.0029070 k( 83) = ( 0.5000000 0.2750096 -0.2750096), wk = 0.0029070 k( 84) = ( 0.5000000 0.2824423 -0.2824423), wk = 0.0029070 k( 85) = ( 0.5000000 0.2898749 -0.2898749), wk = 0.0029070 k( 86) = ( 0.5000000 0.2973076 -0.2973076), wk = 0.0029070 k( 87) = ( 0.5000000 0.3047403 -0.3047403), wk = 0.0029070 k( 88) = ( 0.5000000 0.3121730 -0.3121730), wk = 0.0029070 k( 89) = ( 0.5000000 0.3196057 -0.3196057), wk = 0.0029070 k( 90) = ( 0.5000000 0.3270384 -0.3270384), wk = 0.0029070 k( 91) = ( 0.5000000 0.3344711 -0.3344711), wk = 0.0029070 k( 92) = ( 0.5000000 0.3419038 -0.3419038), wk = 0.0029070 k( 93) = ( 0.5000000 0.3493365 -0.3493365), wk = 0.0029070 k( 94) = ( 0.6506635 0.5000000 0.3493365), wk = 0.0029070 k( 95) = ( 0.6434891 0.5000000 0.3565109), wk = 0.0029070 k( 96) = ( 0.6363146 0.5000000 0.3636854), wk = 0.0029070 k( 97) = ( 0.6291402 0.5000000 0.3708598), wk = 0.0029070 k( 98) = ( 0.6219657 0.5000000 0.3780343), wk = 0.0029070 k( 99) = ( 0.6147913 0.5000000 0.3852087), wk = 0.0029070 k( 100) = ( 0.6076168 0.5000000 0.3923832), wk = 0.0029070 k( 101) = ( 0.6004424 0.5000000 0.3995576), wk = 0.0029070 k( 102) = ( 0.5932679 0.5000000 0.4067321), wk = 0.0029070 k( 103) = ( 0.5860935 0.5000000 0.4139065), wk = 0.0029070 k( 104) = ( 0.5789190 0.5000000 0.4210810), wk = 0.0029070 k( 105) = ( 0.5717445 0.5000000 0.4282555), wk = 0.0029070 k( 106) = ( 0.5645701 0.5000000 0.4354299), wk = 0.0029070 k( 107) = ( 0.5573956 0.5000000 0.4426044), wk = 0.0029070 k( 108) = ( 0.5502212 0.5000000 0.4497788), wk = 0.0029070 k( 109) = ( 0.5430467 0.5000000 0.4569533), wk = 0.0029070 k( 110) = ( 0.5358723 0.5000000 0.4641277), wk = 0.0029070 k( 111) = ( 0.5286978 0.5000000 0.4713022), wk = 0.0029070 k( 112) = ( 0.5215234 0.5000000 0.4784766), wk = 0.0029070 k( 113) = ( 0.5143489 0.5000000 0.4856511), wk = 0.0029070 k( 114) = ( 0.5071745 0.5000000 0.4928256), wk = 0.0029070 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 117) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0029070 k( 118) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0029070 k( 119) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0029070 k( 120) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0029070 k( 121) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0029070 k( 122) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0029070 k( 123) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0029070 k( 124) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0029070 k( 125) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0029070 k( 126) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0029070 k( 127) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0029070 k( 128) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0029070 k( 129) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0029070 k( 130) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0029070 k( 131) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0029070 k( 132) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0029070 k( 133) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0029070 k( 134) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0029070 k( 135) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0029070 k( 136) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0029070 k( 137) = ( 0.3278688 0.3278689 0.3278688), wk = 0.0029070 k( 138) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0029070 k( 139) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0029070 k( 140) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0029070 k( 141) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0029070 k( 142) = ( 0.2868852 0.2868853 0.2868852), wk = 0.0029070 k( 143) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0029070 k( 144) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0029070 k( 145) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0029070 k( 146) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0029070 k( 147) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0029070 k( 148) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0029070 k( 149) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0029070 k( 150) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0029070 k( 151) = ( 0.2131147 0.2131148 0.2131148), wk = 0.0029070 k( 152) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0029070 k( 153) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0029070 k( 154) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0029070 k( 155) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0029070 k( 156) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0029070 k( 157) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0029070 k( 158) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0029070 k( 159) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0029070 k( 160) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0029070 k( 161) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0029070 k( 162) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0029070 k( 163) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0029070 k( 164) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0029070 k( 165) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0029070 k( 166) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0029070 k( 167) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0029070 k( 168) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0029070 k( 169) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0029070 k( 170) = ( 0.0573770 0.0573771 0.0573770), wk = 0.0029070 k( 171) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0029070 k( 172) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0029070 k( 173) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0029070 k( 174) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0029070 k( 175) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0029070 k( 176) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0029070 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 179) = ( 0.0074503 0.0000000 -0.0074503), wk = 0.0029070 k( 180) = ( 0.0149006 0.0000000 -0.0149006), wk = 0.0029070 k( 181) = ( 0.0223510 -0.0000000 -0.0223510), wk = 0.0029070 k( 182) = ( 0.0298013 0.0000000 -0.0298013), wk = 0.0029070 k( 183) = ( 0.0372516 0.0000000 -0.0372516), wk = 0.0029070 k( 184) = ( 0.0447019 -0.0000000 -0.0447019), wk = 0.0029070 k( 185) = ( 0.0521522 0.0000000 -0.0521522), wk = 0.0029070 k( 186) = ( 0.0596026 0.0000000 -0.0596026), wk = 0.0029070 k( 187) = ( 0.0670529 -0.0000000 -0.0670529), wk = 0.0029070 k( 188) = ( 0.0745032 0.0000000 -0.0745032), wk = 0.0029070 k( 189) = ( 0.0819535 -0.0000000 -0.0819535), wk = 0.0029070 k( 190) = ( 0.0894038 -0.0000000 -0.0894038), wk = 0.0029070 k( 191) = ( 0.0968542 0.0000000 -0.0968542), wk = 0.0029070 k( 192) = ( 0.1043045 0.0000000 -0.1043045), wk = 0.0029070 k( 193) = ( 0.1117548 -0.0000000 -0.1117548), wk = 0.0029070 k( 194) = ( 0.1192051 0.0000000 -0.1192051), wk = 0.0029070 k( 195) = ( 0.1266554 -0.0000000 -0.1266554), wk = 0.0029070 k( 196) = ( 0.1341058 -0.0000000 -0.1341058), wk = 0.0029070 k( 197) = ( 0.1415561 0.0000000 -0.1415561), wk = 0.0029070 k( 198) = ( 0.1490064 0.0000000 -0.1490064), wk = 0.0029070 k( 199) = ( 0.1564567 0.0000000 -0.1564567), wk = 0.0029070 k( 200) = ( 0.1639070 -0.0000000 -0.1639070), wk = 0.0029070 k( 201) = ( 0.1713574 0.0000000 -0.1713574), wk = 0.0029070 k( 202) = ( 0.1788077 -0.0000000 -0.1788077), wk = 0.0029070 k( 203) = ( 0.1862580 -0.0000000 -0.1862580), wk = 0.0029070 k( 204) = ( 0.1937083 0.0000000 -0.1937083), wk = 0.0029070 k( 205) = ( 0.2011586 -0.0000000 -0.2011586), wk = 0.0029070 k( 206) = ( 0.2086090 0.0000000 -0.2086090), wk = 0.0029070 k( 207) = ( 0.2160593 0.0000000 -0.2160593), wk = 0.0029070 k( 208) = ( 0.2235096 -0.0000000 -0.2235096), wk = 0.0029070 k( 209) = ( 0.2309599 -0.0000000 -0.2309599), wk = 0.0029070 k( 210) = ( 0.2384102 -0.0000000 -0.2384102), wk = 0.0029070 k( 211) = ( 0.2458606 0.0000000 -0.2458606), wk = 0.0029070 k( 212) = ( 0.2533109 -0.0000000 -0.2533109), wk = 0.0029070 k( 213) = ( 0.2607612 -0.0000000 -0.2607612), wk = 0.0029070 k( 214) = ( 0.2682115 0.0000000 -0.2682115), wk = 0.0029070 k( 215) = ( 0.2756618 0.0000000 -0.2756618), wk = 0.0029070 k( 216) = ( 0.2831122 0.0000000 -0.2831122), wk = 0.0029070 k( 217) = ( 0.2905625 -0.0000000 -0.2905625), wk = 0.0029070 k( 218) = ( 0.2980128 0.0000000 -0.2980128), wk = 0.0029070 k( 219) = ( 0.3054631 0.0000000 -0.3054631), wk = 0.0029070 k( 220) = ( 0.3129134 -0.0000000 -0.3129134), wk = 0.0029070 k( 221) = ( 0.3203638 0.0000000 -0.3203638), wk = 0.0029070 k( 222) = ( 0.3278141 -0.0000000 -0.3278141), wk = 0.0029070 k( 223) = ( 0.3352644 -0.0000000 -0.3352644), wk = 0.0029070 k( 224) = ( 0.3427147 0.0000000 -0.3427147), wk = 0.0029070 k( 225) = ( 0.3501650 0.0000000 -0.3501650), wk = 0.0029070 k( 226) = ( 0.3576153 0.0000000 -0.3576154), wk = 0.0029070 k( 227) = ( 0.3650657 -0.0000000 -0.3650657), wk = 0.0029070 k( 228) = ( 0.3725160 -0.0000000 -0.3725160), wk = 0.0029070 k( 229) = ( 0.3799663 0.0000000 -0.3799663), wk = 0.0029070 k( 230) = ( 0.3874166 0.0000000 -0.3874166), wk = 0.0029070 k( 231) = ( 0.3948669 -0.0000000 -0.3948670), wk = 0.0029070 k( 232) = ( 0.4023173 -0.0000000 -0.4023173), wk = 0.0029070 k( 233) = ( 0.4097676 -0.0000000 -0.4097676), wk = 0.0029070 k( 234) = ( 0.4172179 0.0000000 -0.4172179), wk = 0.0029070 k( 235) = ( 0.4246682 0.0000000 -0.4246682), wk = 0.0029070 k( 236) = ( 0.5753318 0.4246682 -0.0000000), wk = 0.0029070 k( 237) = ( 0.5684834 0.4315166 -0.0000000), wk = 0.0029070 k( 238) = ( 0.5616351 0.4383649 -0.0000000), wk = 0.0029070 k( 239) = ( 0.5547867 0.4452133 -0.0000000), wk = 0.0029070 k( 240) = ( 0.5479384 0.4520616 -0.0000000), wk = 0.0029070 k( 241) = ( 0.5410901 0.4589099 -0.0000000), wk = 0.0029070 k( 242) = ( 0.5342417 0.4657583 -0.0000000), wk = 0.0029070 k( 243) = ( 0.5273934 0.4726066 -0.0000000), wk = 0.0029070 k( 244) = ( 0.5205450 0.4794550 -0.0000000), wk = 0.0029070 k( 245) = ( 0.5136967 0.4863033 -0.0000000), wk = 0.0029070 k( 246) = ( 0.5068483 0.4931517 -0.0000000), wk = 0.0029070 k( 247) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 248) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 249) = ( 0.5025111 0.5025111 0.0116445), wk = 0.0029070 k( 250) = ( 0.5050221 0.5050221 0.0232891), wk = 0.0029070 k( 251) = ( 0.5075332 0.5075332 0.0349336), wk = 0.0029070 k( 252) = ( 0.5100442 0.5100442 0.0465782), wk = 0.0029070 k( 253) = ( 0.5125553 0.5125553 0.0582227), wk = 0.0029070 k( 254) = ( 0.5150664 0.5150664 0.0698673), wk = 0.0029070 k( 255) = ( 0.5175774 0.5175774 0.0815118), wk = 0.0029070 k( 256) = ( 0.5200885 0.5200885 0.0931564), wk = 0.0029070 k( 257) = ( 0.5225995 0.5225995 0.1048009), wk = 0.0029070 k( 258) = ( 0.5251106 0.5251106 0.1164455), wk = 0.0029070 k( 259) = ( 0.5276217 0.5276217 0.1280900), wk = 0.0029070 k( 260) = ( 0.5301327 0.5301327 0.1397346), wk = 0.0029070 k( 261) = ( 0.5326438 0.5326438 0.1513791), wk = 0.0029070 k( 262) = ( 0.5351548 0.5351548 0.1630237), wk = 0.0029070 k( 263) = ( 0.5376659 0.5376659 0.1746682), wk = 0.0029070 k( 264) = ( 0.5401769 0.5401769 0.1863128), wk = 0.0029070 k( 265) = ( 0.5426880 0.5426880 0.1979573), wk = 0.0029070 k( 266) = ( 0.5451991 0.5451991 0.2096019), wk = 0.0029070 k( 267) = ( 0.5477101 0.5477101 0.2212464), wk = 0.0029070 k( 268) = ( 0.5502212 0.5502212 0.2328910), wk = 0.0029070 k( 269) = ( 0.5527322 0.5527322 0.2445355), wk = 0.0029070 k( 270) = ( 0.5552433 0.5552433 0.2561801), wk = 0.0029070 k( 271) = ( 0.5577544 0.5577544 0.2678246), wk = 0.0029070 k( 272) = ( 0.5602654 0.5602654 0.2794692), wk = 0.0029070 k( 273) = ( 0.5627765 0.5627765 0.2911137), wk = 0.0029070 k( 274) = ( 0.5652875 0.5652875 0.3027583), wk = 0.0029070 k( 275) = ( 0.5677986 0.5677986 0.3144028), wk = 0.0029070 k( 276) = ( 0.5703097 0.5703097 0.3260474), wk = 0.0029070 k( 277) = ( 0.5728207 0.5728207 0.3376919), wk = 0.0029070 k( 278) = ( 0.5753318 0.5753318 0.3493365), wk = 0.0029070 k( 279) = ( 0.5753318 0.5753318 0.3493365), wk = 0.0029070 k( 280) = ( 0.5711467 0.5711467 0.3577067), wk = 0.0029070 k( 281) = ( 0.5669616 0.5669616 0.3660769), wk = 0.0029070 k( 282) = ( 0.5627765 0.5627765 0.3744471), wk = 0.0029070 k( 283) = ( 0.5585914 0.5585914 0.3828173), wk = 0.0029070 k( 284) = ( 0.5544063 0.5544063 0.3911874), wk = 0.0029070 k( 285) = ( 0.5502212 0.5502212 0.3995576), wk = 0.0029070 k( 286) = ( 0.5460361 0.5460361 0.4079278), wk = 0.0029070 k( 287) = ( 0.5418510 0.5418510 0.4162980), wk = 0.0029070 k( 288) = ( 0.5376659 0.5376659 0.4246682), wk = 0.0029070 k( 289) = ( 0.5334808 0.5334808 0.4330384), wk = 0.0029070 k( 290) = ( 0.5292957 0.5292957 0.4414086), wk = 0.0029070 k( 291) = ( 0.5251106 0.5251106 0.4497788), wk = 0.0029070 k( 292) = ( 0.5209255 0.5209255 0.4581490), wk = 0.0029070 k( 293) = ( 0.5167404 0.5167404 0.4665192), wk = 0.0029070 k( 294) = ( 0.5125553 0.5125553 0.4748894), wk = 0.0029070 k( 295) = ( 0.5083702 0.5083702 0.4832596), wk = 0.0029070 k( 296) = ( 0.5041851 0.5041851 0.4916298), wk = 0.0029070 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 298) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029070 k( 299) = ( 0.5032753 0.0092319 0.0092319), wk = 0.0029070 k( 300) = ( 0.5065506 0.0184638 0.0184638), wk = 0.0029070 k( 301) = ( 0.5098259 0.0276958 0.0276957), wk = 0.0029070 k( 302) = ( 0.5131012 0.0369277 0.0369277), wk = 0.0029070 k( 303) = ( 0.5163765 0.0461596 0.0461596), wk = 0.0029070 k( 304) = ( 0.5196518 0.0553915 0.0553915), wk = 0.0029070 k( 305) = ( 0.5229271 0.0646234 0.0646234), wk = 0.0029070 k( 306) = ( 0.5262024 0.0738553 0.0738553), wk = 0.0029070 k( 307) = ( 0.5294777 0.0830873 0.0830873), wk = 0.0029070 k( 308) = ( 0.5327529 0.0923192 0.0923192), wk = 0.0029070 k( 309) = ( 0.5360282 0.1015511 0.1015511), wk = 0.0029070 k( 310) = ( 0.5393035 0.1107830 0.1107830), wk = 0.0029070 k( 311) = ( 0.5425788 0.1200149 0.1200149), wk = 0.0029070 k( 312) = ( 0.5458541 0.1292469 0.1292468), wk = 0.0029070 k( 313) = ( 0.5491294 0.1384788 0.1384788), wk = 0.0029070 k( 314) = ( 0.5524047 0.1477107 0.1477107), wk = 0.0029070 k( 315) = ( 0.5556800 0.1569426 0.1569426), wk = 0.0029070 k( 316) = ( 0.5589553 0.1661745 0.1661745), wk = 0.0029070 k( 317) = ( 0.5622306 0.1754064 0.1754064), wk = 0.0029070 k( 318) = ( 0.5655059 0.1846384 0.1846384), wk = 0.0029070 k( 319) = ( 0.5687812 0.1938703 0.1938703), wk = 0.0029070 k( 320) = ( 0.5720565 0.2031022 0.2031022), wk = 0.0029070 k( 321) = ( 0.5753318 0.2123341 0.2123341), wk = 0.0029070 k( 322) = ( 0.5786071 0.2215660 0.2215660), wk = 0.0029070 k( 323) = ( 0.5818824 0.2307980 0.2307980), wk = 0.0029070 k( 324) = ( 0.5851576 0.2400299 0.2400299), wk = 0.0029070 k( 325) = ( 0.5884329 0.2492618 0.2492618), wk = 0.0029070 k( 326) = ( 0.5917082 0.2584937 0.2584937), wk = 0.0029070 k( 327) = ( 0.5949835 0.2677256 0.2677256), wk = 0.0029070 k( 328) = ( 0.5982588 0.2769575 0.2769575), wk = 0.0029070 k( 329) = ( 0.6015341 0.2861895 0.2861895), wk = 0.0029070 k( 330) = ( 0.6048094 0.2954214 0.2954214), wk = 0.0029070 k( 331) = ( 0.6080847 0.3046533 0.3046533), wk = 0.0029070 k( 332) = ( 0.6113600 0.3138852 0.3138852), wk = 0.0029070 k( 333) = ( 0.6146353 0.3231171 0.3231171), wk = 0.0029070 k( 334) = ( 0.6179106 0.3323491 0.3323490), wk = 0.0029070 k( 335) = ( 0.6211859 0.3415810 0.3415810), wk = 0.0029070 k( 336) = ( 0.6244612 0.3508129 0.3508129), wk = 0.0029070 k( 337) = ( 0.6277365 0.3600448 0.3600448), wk = 0.0029070 k( 338) = ( 0.6310118 0.3692767 0.3692767), wk = 0.0029070 k( 339) = ( 0.6342871 0.3785086 0.3785086), wk = 0.0029070 k( 340) = ( 0.6375624 0.3877406 0.3877406), wk = 0.0029070 k( 341) = ( 0.6408377 0.3969725 0.3969725), wk = 0.0029070 k( 342) = ( 0.6441130 0.4062044 0.4062044), wk = 0.0029070 k( 343) = ( 0.6473882 0.4154363 0.4154363), wk = 0.0029070 k( 344) = ( 0.6506635 0.4246682 0.4246682), wk = 0.0029070 Dense grid: 43291 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20713 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 144, 60) NL pseudopotentials 0.12 Mb ( 72, 112) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1203) G-vector shells 0.01 Mb ( 964) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 144, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.21 Mb ( 112, 2, 60) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./MgCO6.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.2 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.5 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 15.8 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 17.1 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 19.3 secs Computing kpt #: 28 total cpu time spent up to now is 19.9 secs Computing kpt #: 29 total cpu time spent up to now is 20.4 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.2 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.0 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 22.8 secs Computing kpt #: 36 total cpu time spent up to now is 23.1 secs Computing kpt #: 37 total cpu time spent up to now is 23.4 secs Computing kpt #: 38 total cpu time spent up to now is 23.8 secs Computing kpt #: 39 total cpu time spent up to now is 24.1 secs Computing kpt #: 40 total cpu time spent up to now is 24.4 secs Computing kpt #: 41 total cpu time spent up to now is 24.7 secs Computing kpt #: 42 total cpu time spent up to now is 25.1 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.7 secs Computing kpt #: 45 total cpu time spent up to now is 26.1 secs Computing kpt #: 46 total cpu time spent up to now is 26.4 secs Computing kpt #: 47 total cpu time spent up to now is 26.7 secs Computing kpt #: 48 total cpu time spent up to now is 27.1 secs Computing kpt #: 49 total cpu time spent up to now is 27.4 secs Computing kpt #: 50 total cpu time spent up to now is 27.8 secs Computing kpt #: 51 total cpu time spent up to now is 28.1 secs Computing kpt #: 52 total cpu time spent up to now is 28.5 secs Computing kpt #: 53 total cpu time spent up to now is 29.1 secs Computing kpt #: 54 total cpu time spent up to now is 29.7 secs Computing kpt #: 55 total cpu time spent up to now is 30.4 secs Computing kpt #: 56 total cpu time spent up to now is 31.6 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.9 secs Computing kpt #: 58 total cpu time spent up to now is 33.9 secs Computing kpt #: 59 total cpu time spent up to now is 34.6 secs Computing kpt #: 60 total cpu time spent up to now is 35.2 secs Computing kpt #: 61 total cpu time spent up to now is 35.9 secs Computing kpt #: 62 total cpu time spent up to now is 36.5 secs Computing kpt #: 63 total cpu time spent up to now is 37.2 secs Computing kpt #: 64 total cpu time spent up to now is 37.9 secs Computing kpt #: 65 total cpu time spent up to now is 38.5 secs Computing kpt #: 66 total cpu time spent up to now is 39.1 secs Computing kpt #: 67 total cpu time spent up to now is 39.7 secs Computing kpt #: 68 total cpu time spent up to now is 40.3 secs Computing kpt #: 69 total cpu time spent up to now is 40.9 secs Computing kpt #: 70 total cpu time spent up to now is 41.5 secs Computing kpt #: 71 total cpu time spent up to now is 42.2 secs Computing kpt #: 72 total cpu time spent up to now is 42.8 secs Computing kpt #: 73 total cpu time spent up to now is 43.5 secs Computing kpt #: 74 total cpu time spent up to now is 44.2 secs Computing kpt #: 75 total cpu time spent up to now is 44.8 secs Computing kpt #: 76 total cpu time spent up to now is 45.5 secs Computing kpt #: 77 total cpu time spent up to now is 46.2 secs Computing kpt #: 78 total cpu time spent up to now is 46.9 secs Computing kpt #: 79 total cpu time spent up to now is 47.4 secs Computing kpt #: 80 total cpu time spent up to now is 48.1 secs Computing kpt #: 81 total cpu time spent up to now is 48.7 secs Computing kpt #: 82 total cpu time spent up to now is 49.2 secs Computing kpt #: 83 total cpu time spent up to now is 49.9 secs Computing kpt #: 84 total cpu time spent up to now is 50.5 secs Computing kpt #: 85 total cpu time spent up to now is 51.1 secs Computing kpt #: 86 total cpu time spent up to now is 51.6 secs Computing kpt #: 87 total cpu time spent up to now is 52.2 secs Computing kpt #: 88 total cpu time spent up to now is 52.5 secs Computing kpt #: 89 total cpu time spent up to now is 52.9 secs Computing kpt #: 90 total cpu time spent up to now is 53.4 secs Computing kpt #: 91 total cpu time spent up to now is 53.9 secs Computing kpt #: 92 total cpu time spent up to now is 54.5 secs Computing kpt #: 93 total cpu time spent up to now is 55.1 secs Computing kpt #: 94 total cpu time spent up to now is 55.7 secs Computing kpt #: 95 total cpu time spent up to now is 56.1 secs Computing kpt #: 96 total cpu time spent up to now is 56.7 secs Computing kpt #: 97 total cpu time spent up to now is 57.4 secs Computing kpt #: 98 total cpu time spent up to now is 57.9 secs Computing kpt #: 99 total cpu time spent up to now is 58.4 secs Computing kpt #: 100 total cpu time spent up to now is 59.0 secs Computing kpt #: 101 total cpu time spent up to now is 59.6 secs Computing kpt #: 102 total cpu time spent up to now is 60.2 secs Computing kpt #: 103 total cpu time spent up to now is 60.5 secs Computing kpt #: 104 total cpu time spent up to now is 61.0 secs Computing kpt #: 105 total cpu time spent up to now is 61.5 secs Computing kpt #: 106 total cpu time spent up to now is 62.0 secs Computing kpt #: 107 total cpu time spent up to now is 62.5 secs Computing kpt #: 108 total cpu time spent up to now is 62.8 secs Computing kpt #: 109 total cpu time spent up to now is 63.2 secs Computing kpt #: 110 total cpu time spent up to now is 63.6 secs Computing kpt #: 111 total cpu time spent up to now is 64.0 secs Computing kpt #: 112 total cpu time spent up to now is 64.4 secs Computing kpt #: 113 total cpu time spent up to now is 64.7 secs Computing kpt #: 114 total cpu time spent up to now is 65.1 secs Computing kpt #: 115 total cpu time spent up to now is 65.5 secs Computing kpt #: 116 total cpu time spent up to now is 65.9 secs Computing kpt #: 117 total cpu time spent up to now is 66.3 secs Computing kpt #: 118 total cpu time spent up to now is 66.6 secs Computing kpt #: 119 total cpu time spent up to now is 67.0 secs Computing kpt #: 120 total cpu time spent up to now is 67.4 secs Computing kpt #: 121 total cpu time spent up to now is 67.7 secs Computing kpt #: 122 total cpu time spent up to now is 68.1 secs Computing kpt #: 123 total cpu time spent up to now is 68.4 secs Computing kpt #: 124 total cpu time spent up to now is 68.8 secs Computing kpt #: 125 total cpu time spent up to now is 69.1 secs Computing kpt #: 126 total cpu time spent up to now is 69.5 secs Computing kpt #: 127 total cpu time spent up to now is 69.9 secs Computing kpt #: 128 total cpu time spent up to now is 70.2 secs Computing kpt #: 129 total cpu time spent up to now is 70.6 secs Computing kpt #: 130 total cpu time spent up to now is 70.9 secs Computing kpt #: 131 total cpu time spent up to now is 71.3 secs Computing kpt #: 132 total cpu time spent up to now is 71.6 secs Computing kpt #: 133 total cpu time spent up to now is 72.0 secs Computing kpt #: 134 total cpu time spent up to now is 72.4 secs Computing kpt #: 135 total cpu time spent up to now is 72.7 secs Computing kpt #: 136 total cpu time spent up to now is 73.1 secs Computing kpt #: 137 total cpu time spent up to now is 73.4 secs Computing kpt #: 138 total cpu time spent up to now is 73.8 secs Computing kpt #: 139 total cpu time spent up to now is 74.2 secs Computing kpt #: 140 total cpu time spent up to now is 74.6 secs Computing kpt #: 141 total cpu time spent up to now is 74.9 secs Computing kpt #: 142 total cpu time spent up to now is 75.3 secs Computing kpt #: 143 total cpu time spent up to now is 75.7 secs Computing kpt #: 144 total cpu time spent up to now is 76.1 secs Computing kpt #: 145 total cpu time spent up to now is 76.5 secs Computing kpt #: 146 total cpu time spent up to now is 76.9 secs Computing kpt #: 147 total cpu time spent up to now is 77.3 secs Computing kpt #: 148 total cpu time spent up to now is 77.7 secs Computing kpt #: 149 total cpu time spent up to now is 78.2 secs Computing kpt #: 150 total cpu time spent up to now is 78.7 secs Computing kpt #: 151 total cpu time spent up to now is 79.2 secs Computing kpt #: 152 total cpu time spent up to now is 79.6 secs Computing kpt #: 153 total cpu time spent up to now is 80.1 secs Computing kpt #: 154 total cpu time spent up to now is 80.5 secs Computing kpt #: 155 total cpu time spent up to now is 80.9 secs Computing kpt #: 156 total cpu time spent up to now is 81.3 secs Computing kpt #: 157 total cpu time spent up to now is 81.8 secs Computing kpt #: 158 total cpu time spent up to now is 82.2 secs Computing kpt #: 159 total cpu time spent up to now is 82.6 secs Computing kpt #: 160 total cpu time spent up to now is 83.0 secs Computing kpt #: 161 total cpu time spent up to now is 83.5 secs Computing kpt #: 162 total cpu time spent up to now is 83.9 secs Computing kpt #: 163 total cpu time spent up to now is 84.3 secs Computing kpt #: 164 total cpu time spent up to now is 84.7 secs Computing kpt #: 165 total cpu time spent up to now is 85.1 secs Computing kpt #: 166 total cpu time spent up to now is 85.6 secs Computing kpt #: 167 total cpu time spent up to now is 86.0 secs Computing kpt #: 168 total cpu time spent up to now is 86.4 secs Computing kpt #: 169 total cpu time spent up to now is 86.8 secs Computing kpt #: 170 total cpu time spent up to now is 87.2 secs Computing kpt #: 171 total cpu time spent up to now is 87.6 secs Computing kpt #: 172 total cpu time spent up to now is 88.0 secs Computing kpt #: 173 total cpu time spent up to now is 88.4 secs Computing kpt #: 174 total cpu time spent up to now is 88.8 secs Computing kpt #: 175 total cpu time spent up to now is 89.2 secs Computing kpt #: 176 total cpu time spent up to now is 89.6 secs Computing kpt #: 177 total cpu time spent up to now is 89.9 secs Computing kpt #: 178 total cpu time spent up to now is 90.3 secs Computing kpt #: 179 total cpu time spent up to now is 90.7 secs Computing kpt #: 180 total cpu time spent up to now is 91.1 secs Computing kpt #: 181 total cpu time spent up to now is 91.5 secs Computing kpt #: 182 total cpu time spent up to now is 91.9 secs Computing kpt #: 183 total cpu time spent up to now is 92.3 secs Computing kpt #: 184 total cpu time spent up to now is 92.6 secs Computing kpt #: 185 total cpu time spent up to now is 93.0 secs Computing kpt #: 186 total cpu time spent up to now is 93.4 secs Computing kpt #: 187 total cpu time spent up to now is 93.8 secs Computing kpt #: 188 total cpu time spent up to now is 94.2 secs Computing kpt #: 189 total cpu time spent up to now is 94.5 secs Computing kpt #: 190 total cpu time spent up to now is 94.9 secs Computing kpt #: 191 total cpu time spent up to now is 95.2 secs Computing kpt #: 192 total cpu time spent up to now is 95.6 secs Computing kpt #: 193 total cpu time spent up to now is 95.9 secs Computing kpt #: 194 total cpu time spent up to now is 96.3 secs Computing kpt #: 195 total cpu time spent up to now is 96.7 secs Computing kpt #: 196 total cpu time spent up to now is 97.1 secs Computing kpt #: 197 total cpu time spent up to now is 97.6 secs Computing kpt #: 198 total cpu time spent up to now is 98.1 secs Computing kpt #: 199 total cpu time spent up to now is 98.6 secs Computing kpt #: 200 total cpu time spent up to now is 99.1 secs Computing kpt #: 201 total cpu time spent up to now is 99.6 secs Computing kpt #: 202 total cpu time spent up to now is 100.1 secs Computing kpt #: 203 total cpu time spent up to now is 100.7 secs Computing kpt #: 204 total cpu time spent up to now is 101.3 secs Computing kpt #: 205 total cpu time spent up to now is 101.9 secs Computing kpt #: 206 total cpu time spent up to now is 102.5 secs Computing kpt #: 207 total cpu time spent up to now is 103.1 secs Computing kpt #: 208 total cpu time spent up to now is 103.7 secs Computing kpt #: 209 total cpu time spent up to now is 104.4 secs Computing kpt #: 210 total cpu time spent up to now is 105.0 secs Computing kpt #: 211 total cpu time spent up to now is 105.7 secs Computing kpt #: 212 total cpu time spent up to now is 106.4 secs Computing kpt #: 213 total cpu time spent up to now is 107.0 secs Computing kpt #: 214 total cpu time spent up to now is 107.7 secs Computing kpt #: 215 total cpu time spent up to now is 108.4 secs Computing kpt #: 216 total cpu time spent up to now is 109.1 secs Computing kpt #: 217 total cpu time spent up to now is 109.8 secs Computing kpt #: 218 total cpu time spent up to now is 110.5 secs Computing kpt #: 219 total cpu time spent up to now is 111.3 secs Computing kpt #: 220 total cpu time spent up to now is 112.3 secs Computing kpt #: 221 total cpu time spent up to now is 113.0 secs Computing kpt #: 222 total cpu time spent up to now is 113.7 secs Computing kpt #: 223 total cpu time spent up to now is 114.1 secs Computing kpt #: 224 total cpu time spent up to now is 114.7 secs Computing kpt #: 225 total cpu time spent up to now is 115.3 secs Computing kpt #: 226 total cpu time spent up to now is 115.9 secs Computing kpt #: 227 total cpu time spent up to now is 116.4 secs Computing kpt #: 228 total cpu time spent up to now is 116.8 secs Computing kpt #: 229 total cpu time spent up to now is 117.1 secs Computing kpt #: 230 total cpu time spent up to now is 117.7 secs Computing kpt #: 231 total cpu time spent up to now is 118.2 secs Computing kpt #: 232 total cpu time spent up to now is 118.6 secs Computing kpt #: 233 total cpu time spent up to now is 118.9 secs Computing kpt #: 234 total cpu time spent up to now is 119.3 secs Computing kpt #: 235 total cpu time spent up to now is 119.8 secs Computing kpt #: 236 total cpu time spent up to now is 120.2 secs Computing kpt #: 237 total cpu time spent up to now is 120.7 secs Computing kpt #: 238 total cpu time spent up to now is 121.2 secs Computing kpt #: 239 total cpu time spent up to now is 121.6 secs Computing kpt #: 240 total cpu time spent up to now is 122.1 secs Computing kpt #: 241 total cpu time spent up to now is 122.5 secs Computing kpt #: 242 total cpu time spent up to now is 122.9 secs Computing kpt #: 243 total cpu time spent up to now is 123.3 secs Computing kpt #: 244 total cpu time spent up to now is 123.7 secs Computing kpt #: 245 total cpu time spent up to now is 124.1 secs Computing kpt #: 246 total cpu time spent up to now is 124.4 secs Computing kpt #: 247 total cpu time spent up to now is 124.8 secs Computing kpt #: 248 total cpu time spent up to now is 125.2 secs Computing kpt #: 249 total cpu time spent up to now is 125.5 secs Computing kpt #: 250 total cpu time spent up to now is 126.1 secs Computing kpt #: 251 total cpu time spent up to now is 126.4 secs Computing kpt #: 252 total cpu time spent up to now is 126.8 secs Computing kpt #: 253 total cpu time spent up to now is 127.3 secs Computing kpt #: 254 total cpu time spent up to now is 127.6 secs Computing kpt #: 255 total cpu time spent up to now is 128.0 secs Computing kpt #: 256 total cpu time spent up to now is 128.5 secs Computing kpt #: 257 total cpu time spent up to now is 129.0 secs Computing kpt #: 258 total cpu time spent up to now is 129.4 secs Computing kpt #: 259 total cpu time spent up to now is 129.9 secs Computing kpt #: 260 total cpu time spent up to now is 130.4 secs Computing kpt #: 261 total cpu time spent up to now is 131.0 secs Computing kpt #: 262 total cpu time spent up to now is 131.5 secs Computing kpt #: 263 total cpu time spent up to now is 132.0 secs Computing kpt #: 264 total cpu time spent up to now is 132.5 secs Computing kpt #: 265 total cpu time spent up to now is 133.0 secs Computing kpt #: 266 total cpu time spent up to now is 133.5 secs Computing kpt #: 267 total cpu time spent up to now is 134.0 secs Computing kpt #: 268 total cpu time spent up to now is 134.5 secs Computing kpt #: 269 total cpu time spent up to now is 134.9 secs Computing kpt #: 270 total cpu time spent up to now is 135.5 secs Computing kpt #: 271 total cpu time spent up to now is 136.0 secs Computing kpt #: 272 total cpu time spent up to now is 136.5 secs Computing kpt #: 273 total cpu time spent up to now is 137.1 secs Computing kpt #: 274 total cpu time spent up to now is 137.6 secs Computing kpt #: 275 total cpu time spent up to now is 138.2 secs Computing kpt #: 276 total cpu time spent up to now is 138.6 secs Computing kpt #: 277 total cpu time spent up to now is 138.9 secs Computing kpt #: 278 total cpu time spent up to now is 139.4 secs Computing kpt #: 279 total cpu time spent up to now is 139.8 secs Computing kpt #: 280 total cpu time spent up to now is 140.4 secs Computing kpt #: 281 total cpu time spent up to now is 140.9 secs Computing kpt #: 282 total cpu time spent up to now is 141.4 secs Computing kpt #: 283 total cpu time spent up to now is 142.0 secs Computing kpt #: 284 total cpu time spent up to now is 142.7 secs Computing kpt #: 285 total cpu time spent up to now is 143.1 secs Computing kpt #: 286 total cpu time spent up to now is 143.6 secs Computing kpt #: 287 total cpu time spent up to now is 144.0 secs Computing kpt #: 288 total cpu time spent up to now is 144.5 secs Computing kpt #: 289 total cpu time spent up to now is 145.0 secs Computing kpt #: 290 total cpu time spent up to now is 145.5 secs Computing kpt #: 291 total cpu time spent up to now is 145.9 secs Computing kpt #: 292 total cpu time spent up to now is 146.3 secs Computing kpt #: 293 total cpu time spent up to now is 146.7 secs Computing kpt #: 294 total cpu time spent up to now is 147.1 secs Computing kpt #: 295 total cpu time spent up to now is 147.4 secs Computing kpt #: 296 total cpu time spent up to now is 147.9 secs Computing kpt #: 297 total cpu time spent up to now is 148.4 secs Computing kpt #: 298 total cpu time spent up to now is 148.7 secs Computing kpt #: 299 total cpu time spent up to now is 149.0 secs Computing kpt #: 300 total cpu time spent up to now is 149.4 secs Computing kpt #: 301 total cpu time spent up to now is 149.7 secs Computing kpt #: 302 total cpu time spent up to now is 150.0 secs Computing kpt #: 303 total cpu time spent up to now is 150.4 secs Computing kpt #: 304 total cpu time spent up to now is 150.7 secs Computing kpt #: 305 total cpu time spent up to now is 151.0 secs Computing kpt #: 306 total cpu time spent up to now is 151.4 secs Computing kpt #: 307 total cpu time spent up to now is 151.7 secs Computing kpt #: 308 total cpu time spent up to now is 152.1 secs Computing kpt #: 309 total cpu time spent up to now is 152.4 secs Computing kpt #: 310 total cpu time spent up to now is 152.8 secs Computing kpt #: 311 total cpu time spent up to now is 153.2 secs Computing kpt #: 312 total cpu time spent up to now is 153.9 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.2 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.5 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.8 secs Computing kpt #: 316 total cpu time spent up to now is 158.6 secs Computing kpt #: 317 total cpu time spent up to now is 159.4 secs Computing kpt #: 318 total cpu time spent up to now is 160.2 secs Computing kpt #: 319 total cpu time spent up to now is 160.9 secs Computing kpt #: 320 total cpu time spent up to now is 161.6 secs Computing kpt #: 321 total cpu time spent up to now is 162.2 secs Computing kpt #: 322 total cpu time spent up to now is 162.9 secs Computing kpt #: 323 total cpu time spent up to now is 163.4 secs Computing kpt #: 324 total cpu time spent up to now is 163.9 secs Computing kpt #: 325 total cpu time spent up to now is 164.5 secs Computing kpt #: 326 total cpu time spent up to now is 164.9 secs Computing kpt #: 327 total cpu time spent up to now is 165.4 secs Computing kpt #: 328 total cpu time spent up to now is 166.0 secs Computing kpt #: 329 total cpu time spent up to now is 166.3 secs Computing kpt #: 330 total cpu time spent up to now is 166.9 secs Computing kpt #: 331 total cpu time spent up to now is 167.4 secs Computing kpt #: 332 total cpu time spent up to now is 167.9 secs Computing kpt #: 333 total cpu time spent up to now is 168.4 secs Computing kpt #: 334 total cpu time spent up to now is 168.9 secs Computing kpt #: 335 total cpu time spent up to now is 169.4 secs Computing kpt #: 336 total cpu time spent up to now is 169.9 secs Computing kpt #: 337 total cpu time spent up to now is 170.5 secs Computing kpt #: 338 total cpu time spent up to now is 171.0 secs Computing kpt #: 339 total cpu time spent up to now is 171.6 secs Computing kpt #: 340 total cpu time spent up to now is 172.2 secs Computing kpt #: 341 total cpu time spent up to now is 172.8 secs Computing kpt #: 342 total cpu time spent up to now is 173.3 secs Computing kpt #: 343 total cpu time spent up to now is 173.9 secs Computing kpt #: 344 total cpu time spent up to now is 174.5 secs ethr = 2.00E-08, avg # of iterations = 30.3 total cpu time spent up to now is 174.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2575 PWs) bands (ev): -62.0448 -62.0448 -31.4036 -31.4036 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5093 -26.5093 -26.5067 -26.5067 -14.3650 -14.3650 -14.3592 -14.3592 -8.8154 -8.8154 -6.1212 -6.1212 -5.5204 -5.5204 -1.4534 -1.4534 -1.4459 -1.4459 0.0826 0.0826 0.0827 0.0827 3.8689 3.8689 4.7632 4.7632 4.7798 4.7798 8.3558 8.3558 8.3574 8.3574 14.2285 14.2285 14.7415 14.7415 15.6202 15.6202 16.6225 16.6225 16.6446 16.6446 19.9470 19.9470 21.3091 21.3091 21.4167 21.4167 21.4299 21.4299 k = 0.0114-0.0025-0.0021 ( 2577 PWs) bands (ev): -62.0448 -62.0448 -31.4035 -31.4035 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5094 -26.5094 -26.5068 -26.5068 -14.3649 -14.3649 -14.3591 -14.3591 -8.8153 -8.8153 -6.1218 -6.1218 -5.5192 -5.5192 -1.4547 -1.4547 -1.4471 -1.4471 0.0823 0.0823 0.0836 0.0836 3.8649 3.8649 4.7660 4.7660 4.7830 4.7830 8.3560 8.3560 8.3584 8.3584 14.2281 14.2281 14.7436 14.7436 15.6192 15.6192 16.6208 16.6208 16.6430 16.6430 19.9489 19.9489 21.3095 21.3095 21.4171 21.4171 21.4302 21.4302 k = 0.0227-0.0050-0.0042 ( 2578 PWs) bands (ev): -62.0448 -62.0448 -31.4034 -31.4034 -29.0031 -29.0031 -28.7282 -28.7282 -28.7035 -28.7035 -26.5096 -26.5096 -26.5069 -26.5069 -14.3648 -14.3648 -14.3590 -14.3590 -8.8150 -8.8150 -6.1237 -6.1237 -5.5158 -5.5158 -1.4594 -1.4594 -1.4499 -1.4499 0.0815 0.0815 0.0866 0.0866 3.8531 3.8531 4.7719 4.7719 4.7947 4.7947 8.3554 8.3554 8.3625 8.3625 14.2270 14.2270 14.7501 14.7501 15.6163 15.6163 16.6149 16.6149 16.6392 16.6392 19.9547 19.9547 21.3104 21.3104 21.4183 21.4183 21.4313 21.4313 k = 0.0341-0.0075-0.0063 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4033 -31.4033 -29.0031 -29.0031 -28.7281 -28.7281 -28.7035 -28.7035 -26.5099 -26.5099 -26.5072 -26.5072 -14.3645 -14.3645 -14.3587 -14.3587 -8.8146 -8.8146 -6.1267 -6.1267 -5.5102 -5.5102 -1.4686 -1.4686 -1.4534 -1.4534 0.0801 0.0801 0.0915 0.0915 3.8344 3.8344 4.7785 4.7785 4.8167 4.8167 8.3541 8.3541 8.3697 8.3697 14.2251 14.2251 14.7607 14.7607 15.6114 15.6114 16.6031 16.6031 16.6351 16.6351 19.9639 19.9639 21.3109 21.3109 21.4210 21.4210 21.4335 21.4335 k = 0.0455-0.0100-0.0084 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4031 -31.4031 -29.0030 -29.0030 -28.7280 -28.7280 -28.7035 -28.7035 -26.5104 -26.5104 -26.5075 -26.5075 -14.3642 -14.3642 -14.3584 -14.3584 -8.8141 -8.8141 -6.1309 -6.1309 -5.5025 -5.5025 -1.4820 -1.4820 -1.4574 -1.4574 0.0781 0.0781 0.0983 0.0983 3.8097 3.8097 4.7861 4.7861 4.8474 4.8474 8.3522 8.3522 8.3797 8.3797 14.2228 14.2228 14.7754 14.7754 15.6046 15.6046 16.5848 16.5848 16.6313 16.6313 19.9759 19.9759 21.3096 21.3096 21.4261 21.4261 21.4378 21.4378 k = 0.0568-0.0125-0.0105 ( 2582 PWs) bands (ev): -62.0448 -62.0448 -31.4028 -31.4028 -29.0029 -29.0029 -28.7279 -28.7279 -28.7035 -28.7035 -26.5111 -26.5111 -26.5078 -26.5078 -14.3638 -14.3638 -14.3579 -14.3579 -8.8133 -8.8133 -6.1362 -6.1362 -5.4926 -5.4926 -1.4993 -1.4993 -1.4621 -1.4621 0.0756 0.0756 0.1069 0.1069 3.7802 3.7802 4.7951 4.7951 4.8852 4.8852 8.3497 8.3497 8.3925 8.3925 14.2202 14.2202 14.7938 14.7938 15.5960 15.5960 16.5608 16.5608 16.6276 16.6276 19.9900 19.9900 21.3049 21.3049 21.4332 21.4332 21.4460 21.4460 k = 0.0682-0.0151-0.0126 ( 2582 PWs) bands (ev): -62.0448 -62.0448 -31.4025 -31.4025 -29.0028 -29.0028 -28.7277 -28.7277 -28.7034 -28.7034 -26.5120 -26.5120 -26.5080 -26.5080 -14.3632 -14.3632 -14.3574 -14.3574 -8.8124 -8.8124 -6.1425 -6.1425 -5.4807 -5.4807 -1.5204 -1.5204 -1.4678 -1.4678 0.0726 0.0726 0.1171 0.1171 3.7471 3.7471 4.8059 4.8059 4.9288 4.9288 8.3468 8.3468 8.4081 8.4081 14.2176 14.2176 14.8157 14.8157 15.5854 15.5854 16.5318 16.5318 16.6238 16.6238 20.0052 20.0052 21.2961 21.2961 21.4403 21.4403 21.4616 21.4616 k = 0.0795-0.0176-0.0147 ( 2582 PWs) bands (ev): -62.0448 -62.0448 -31.4021 -31.4021 -29.0027 -29.0027 -28.7275 -28.7275 -28.7034 -28.7034 -26.5132 -26.5132 -26.5083 -26.5083 -14.3626 -14.3626 -14.3568 -14.3568 -8.8113 -8.8113 -6.1497 -6.1497 -5.4668 -5.4668 -1.5449 -1.5449 -1.4743 -1.4743 0.0691 0.0691 0.1289 0.1289 3.7111 3.7111 4.8182 4.8182 4.9771 4.9771 8.3433 8.3433 8.4263 8.4263 14.2152 14.2152 14.8409 14.8409 15.5730 15.5730 16.4983 16.4983 16.6196 16.6196 20.0202 20.0202 21.2831 21.2831 21.4472 21.4472 21.4850 21.4850 k = 0.0909-0.0201-0.0168 ( 2581 PWs) bands (ev): -62.0448 -62.0448 -31.4017 -31.4017 -29.0025 -29.0025 -28.7273 -28.7273 -28.7033 -28.7033 -26.5145 -26.5145 -26.5086 -26.5086 -14.3620 -14.3620 -14.3560 -14.3560 -8.8100 -8.8100 -6.1576 -6.1576 -5.4511 -5.4511 -1.5728 -1.5728 -1.4817 -1.4817 0.0650 0.0650 0.1422 0.1422 3.6732 3.6732 4.8322 4.8322 5.0292 5.0292 8.3394 8.3394 8.4471 8.4471 14.2132 14.2132 14.8691 14.8691 15.5588 15.5588 16.4610 16.4610 16.6151 16.6151 20.0339 20.0339 21.2664 21.2664 21.4544 21.4544 21.5159 21.5159 k = 0.1023-0.0226-0.0189 ( 2585 PWs) bands (ev): -62.0448 -62.0448 -31.4012 -31.4012 -29.0023 -29.0023 -28.7270 -28.7270 -28.7033 -28.7033 -26.5160 -26.5160 -26.5088 -26.5088 -14.3612 -14.3612 -14.3552 -14.3552 -8.8087 -8.8087 -6.1664 -6.1664 -5.4336 -5.4336 -1.6039 -1.6039 -1.4899 -1.4899 0.0604 0.0604 0.1567 0.1567 3.6341 3.6341 4.8477 4.8477 5.0843 5.0843 8.3350 8.3350 8.4704 8.4704 14.2119 14.2119 14.9001 14.9001 15.5429 15.5429 16.4203 16.4203 16.6101 16.6101 20.0450 20.0450 21.2466 21.2466 21.4621 21.4621 21.5538 21.5538 k = 0.1136-0.0251-0.0210 ( 2587 PWs) bands (ev): -62.0448 -62.0448 -31.4007 -31.4007 -29.0022 -29.0022 -28.7267 -28.7267 -28.7032 -28.7032 -26.5177 -26.5177 -26.5091 -26.5091 -14.3604 -14.3604 -14.3542 -14.3542 -8.8071 -8.8071 -6.1758 -6.1758 -5.4143 -5.4143 -1.6379 -1.6379 -1.4989 -1.4989 0.0554 0.0554 0.1725 0.1725 3.5942 3.5942 4.8647 4.8647 5.1419 5.1419 8.3302 8.3302 8.4960 8.4960 14.2113 14.2113 14.9336 14.9336 15.5252 15.5252 16.3768 16.3768 16.6047 16.6047 20.0522 20.0522 21.2244 21.2244 21.4702 21.4702 21.5985 21.5985 k = 0.1250-0.0276-0.0231 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.4001 -31.4001 -29.0020 -29.0020 -28.7264 -28.7264 -28.7032 -28.7032 -26.5196 -26.5196 -26.5094 -26.5094 -14.3596 -14.3596 -14.3532 -14.3532 -8.8055 -8.8055 -6.1857 -6.1857 -5.3934 -5.3934 -1.6747 -1.6747 -1.5086 -1.5086 0.0498 0.0498 0.1893 0.1893 3.5540 3.5540 4.8830 4.8830 5.2015 5.2015 8.3251 8.3251 8.5239 8.5239 14.2118 14.2118 14.9696 14.9696 15.5059 15.5059 16.3311 16.3311 16.5990 16.5990 20.0543 20.0543 21.2003 21.2003 21.4787 21.4787 21.6499 21.6499 k = 0.1364-0.0301-0.0252 ( 2588 PWs) bands (ev): -62.0448 -62.0448 -31.3995 -31.3995 -29.0018 -29.0018 -28.7261 -28.7261 -28.7031 -28.7031 -26.5216 -26.5216 -26.5096 -26.5096 -14.3587 -14.3587 -14.3521 -14.3521 -8.8037 -8.8037 -6.1961 -6.1961 -5.3709 -5.3709 -1.7141 -1.7141 -1.5190 -1.5190 0.0439 0.0439 0.2071 0.2071 3.5139 3.5139 4.9025 4.9025 5.2626 5.2626 8.3195 8.3195 8.5539 8.5539 14.2133 14.2133 15.0077 15.0077 15.4850 15.4850 16.2834 16.2834 16.5929 16.5929 20.0502 20.0502 21.1748 21.1748 21.4875 21.4875 21.7080 21.7080 k = 0.1477-0.0326-0.0273 ( 2590 PWs) bands (ev): -62.0448 -62.0448 -31.3989 -31.3989 -29.0015 -29.0015 -28.7257 -28.7257 -28.7030 -28.7030 -26.5237 -26.5237 -26.5099 -26.5099 -14.3577 -14.3577 -14.3509 -14.3509 -8.8018 -8.8018 -6.2069 -6.2069 -5.3469 -5.3469 -1.7559 -1.7559 -1.5300 -1.5300 0.0375 0.0375 0.2256 0.2256 3.4741 3.4741 4.9231 4.9231 5.3248 5.3248 8.3137 8.3137 8.5859 8.5859 14.2160 14.2160 15.0479 15.0479 15.4626 15.4626 16.2344 16.2344 16.5865 16.5865 20.0390 20.0390 21.1485 21.1485 21.4964 21.4964 21.7724 21.7724 k = 0.1591-0.0351-0.0294 ( 2594 PWs) bands (ev): -62.0448 -62.0448 -31.3982 -31.3982 -29.0013 -29.0013 -28.7254 -28.7254 -28.7029 -28.7029 -26.5260 -26.5260 -26.5102 -26.5102 -14.3567 -14.3567 -14.3497 -14.3497 -8.7998 -8.7998 -6.2179 -6.2179 -5.3214 -5.3214 -1.7999 -1.7999 -1.5415 -1.5415 0.0308 0.0308 0.2448 0.2448 3.4348 3.4348 4.9447 4.9447 5.3880 5.3880 8.3075 8.3075 8.6197 8.6197 14.2200 14.2200 15.0899 15.0899 15.4388 15.4388 16.1844 16.1844 16.5798 16.5798 20.0200 20.0200 21.1218 21.1218 21.5053 21.5053 21.8430 21.8430 k = 0.1705-0.0376-0.0315 ( 2595 PWs) bands (ev): -62.0448 -62.0448 -31.3975 -31.3975 -29.0010 -29.0010 -28.7250 -28.7250 -28.7028 -28.7028 -26.5283 -26.5283 -26.5106 -26.5106 -14.3557 -14.3557 -14.3483 -14.3483 -8.7977 -8.7977 -6.2292 -6.2292 -5.2945 -5.2945 -1.8460 -1.8460 -1.5535 -1.5535 0.0236 0.0236 0.2645 0.2645 3.3961 3.3961 4.9672 4.9672 5.4518 5.4518 8.3011 8.3011 8.6551 8.6551 14.2253 14.2253 15.1336 15.1336 15.4136 15.4136 16.1338 16.1338 16.5730 16.5730 19.9927 19.9927 21.0950 21.0950 21.5140 21.5140 21.9192 21.9192 k = 0.1818-0.0402-0.0336 ( 2593 PWs) bands (ev): -62.0448 -62.0448 -31.3968 -31.3968 -29.0008 -29.0008 -28.7245 -28.7245 -28.7028 -28.7028 -26.5308 -26.5308 -26.5109 -26.5109 -14.3547 -14.3547 -14.3469 -14.3469 -8.7955 -8.7955 -6.2407 -6.2407 -5.2663 -5.2663 -1.8939 -1.8939 -1.5659 -1.5659 0.0162 0.0162 0.2847 0.2847 3.3584 3.3584 4.9904 4.9904 5.5159 5.5159 8.2945 8.2945 8.6921 8.6921 14.2320 14.2320 15.1788 15.1788 15.3872 15.3872 16.0831 16.0831 16.5659 16.5659 19.9568 19.9568 21.0686 21.0686 21.5224 21.5224 22.0006 22.0006 k = 0.1932-0.0427-0.0357 ( 2595 PWs) bands (ev): -62.0448 -62.0448 -31.3960 -31.3960 -29.0005 -29.0005 -28.7241 -28.7241 -28.7027 -28.7027 -26.5333 -26.5333 -26.5112 -26.5112 -14.3536 -14.3536 -14.3454 -14.3454 -8.7933 -8.7933 -6.2524 -6.2524 -5.2368 -5.2368 -1.9436 -1.9436 -1.5787 -1.5787 0.0085 0.0085 0.3052 0.3052 3.3216 3.3216 5.0142 5.0142 5.5802 5.5802 8.2877 8.2877 8.7304 8.7304 14.2402 14.2402 15.2254 15.2254 15.3596 15.3596 16.0327 16.0327 16.5587 16.5587 19.9124 19.9124 21.0428 21.0428 21.5303 21.5303 22.0865 22.0865 k = 0.2045-0.0452-0.0378 ( 2601 PWs) bands (ev): -62.0448 -62.0448 -31.3952 -31.3952 -29.0002 -29.0002 -28.7237 -28.7237 -28.7026 -28.7026 -26.5360 -26.5360 -26.5116 -26.5116 -14.3525 -14.3525 -14.3438 -14.3438 -8.7910 -8.7910 -6.2641 -6.2641 -5.2061 -5.2061 -1.9947 -1.9947 -1.5916 -1.5916 0.0004 0.0004 0.3259 0.3259 3.2859 3.2859 5.0384 5.0384 5.6443 5.6443 8.2807 8.2807 8.7698 8.7698 14.2498 14.2498 15.2729 15.2729 15.3310 15.3310 15.9831 15.9831 16.5515 16.5515 19.8595 19.8595 21.0176 21.0176 21.5375 21.5375 22.1764 22.1764 k = 0.2159-0.0477-0.0399 ( 2597 PWs) bands (ev): -62.0448 -62.0448 -31.3944 -31.3944 -29.0000 -29.0000 -28.7232 -28.7232 -28.7025 -28.7025 -26.5386 -26.5386 -26.5119 -26.5119 -14.3514 -14.3514 -14.3422 -14.3422 -8.7886 -8.7886 -6.2757 -6.2757 -5.1741 -5.1741 -2.0473 -2.0473 -1.6048 -1.6048 -0.0078 -0.0078 0.3467 0.3467 3.2513 3.2513 5.0630 5.0630 5.7082 5.7082 8.2737 8.2737 8.8102 8.8102 14.2609 14.2609 15.3014 15.3014 15.3210 15.3210 15.9348 15.9348 16.5442 16.5442 19.7986 19.7986 20.9934 20.9934 21.5438 21.5438 22.2695 22.2695 k = 0.2273-0.0502-0.0420 ( 2595 PWs) bands (ev): -62.0448 -62.0448 -31.3936 -31.3936 -28.9997 -28.9997 -28.7228 -28.7228 -28.7023 -28.7023 -26.5414 -26.5414 -26.5122 -26.5122 -14.3502 -14.3502 -14.3406 -14.3406 -8.7863 -8.7863 -6.2873 -6.2873 -5.1410 -5.1410 -2.1011 -2.1011 -1.6182 -1.6182 -0.0162 -0.0162 0.3675 0.3675 3.2180 3.2180 5.0877 5.0877 5.7717 5.7717 8.2665 8.2665 8.8514 8.8514 14.2734 14.2734 15.2710 15.2710 15.3689 15.3689 15.8887 15.8887 16.5369 16.5369 19.7302 19.7302 20.9699 20.9699 21.5491 21.5491 22.3652 22.3652 k = 0.2386-0.0527-0.0441 ( 2594 PWs) bands (ev): -62.0448 -62.0448 -31.3928 -31.3928 -28.9994 -28.9994 -28.7223 -28.7223 -28.7022 -28.7022 -26.5441 -26.5441 -26.5126 -26.5126 -14.3491 -14.3491 -14.3389 -14.3389 -8.7839 -8.7839 -6.2989 -6.2989 -5.1068 -5.1068 -2.1559 -2.1559 -1.6315 -1.6315 -0.0247 -0.0247 0.3883 0.3883 3.1859 3.1859 5.1125 5.1125 5.8344 5.8344 8.2594 8.2594 8.8932 8.8932 14.2874 14.2874 15.2400 15.2400 15.4154 15.4154 15.8462 15.8462 16.5296 16.5296 19.6549 19.6549 20.9471 20.9471 21.5532 21.5532 22.4626 22.4626 k = 0.2500-0.0552-0.0461 ( 2594 PWs) bands (ev): -62.0448 -62.0448 -31.3919 -31.3919 -28.9991 -28.9991 -28.7218 -28.7218 -28.7021 -28.7021 -26.5468 -26.5468 -26.5130 -26.5130 -14.3480 -14.3480 -14.3372 -14.3372 -8.7815 -8.7815 -6.3102 -6.3102 -5.0716 -5.0716 -2.2116 -2.2116 -1.6449 -1.6449 -0.0334 -0.0334 0.4089 0.4089 3.1551 3.1551 5.1373 5.1373 5.8962 5.8962 8.2522 8.2522 8.9354 8.9354 14.3027 14.3027 15.2084 15.2084 15.4582 15.4582 15.8098 15.8098 16.5225 16.5225 19.5733 19.5733 20.9252 20.9252 21.5560 21.5560 22.5611 22.5611 k = 0.2614-0.0577-0.0482 ( 2594 PWs) bands (ev): -62.0448 -62.0448 -31.3911 -31.3911 -28.9988 -28.9988 -28.7214 -28.7214 -28.7020 -28.7020 -26.5496 -26.5496 -26.5133 -26.5133 -14.3469 -14.3469 -14.3356 -14.3356 -8.7790 -8.7790 -6.3215 -6.3215 -5.0355 -5.0355 -2.2680 -2.2680 -1.6582 -1.6582 -0.0420 -0.0420 0.4293 0.4293 3.1256 3.1256 5.1618 5.1618 5.9570 5.9570 8.2451 8.2451 8.9777 8.9777 14.3194 14.3194 15.1764 15.1764 15.4927 15.4927 15.7842 15.7842 16.5154 16.5154 19.4861 19.4861 20.9040 20.9040 21.5572 21.5572 22.6599 22.6600 k = 0.2727-0.0602-0.0503 ( 2588 PWs) bands (ev): -62.0448 -62.0448 -31.3903 -31.3903 -28.9985 -28.9985 -28.7209 -28.7209 -28.7019 -28.7019 -26.5524 -26.5524 -26.5136 -26.5136 -14.3457 -14.3457 -14.3339 -14.3339 -8.7766 -8.7766 -6.3324 -6.3324 -4.9984 -4.9984 -2.3249 -2.3249 -1.6713 -1.6713 -0.0507 -0.0507 0.4494 0.4494 3.0975 3.0975 5.1861 5.1861 6.0166 6.0166 8.2381 8.2381 9.0201 9.0201 14.3375 14.3375 15.1442 15.1442 15.5119 15.5119 15.7763 15.7763 16.5085 16.5085 19.3940 19.3940 20.8834 20.8834 21.5569 21.5569 22.7583 22.7583 k = 0.2841-0.0627-0.0524 ( 2593 PWs) bands (ev): -62.0448 -62.0448 -31.3894 -31.3894 -28.9982 -28.9982 -28.7204 -28.7204 -28.7018 -28.7018 -26.5551 -26.5551 -26.5141 -26.5141 -14.3447 -14.3447 -14.3323 -14.3323 -8.7742 -8.7742 -6.3431 -6.3431 -4.9606 -4.9606 -2.3823 -2.3823 -1.6843 -1.6843 -0.0594 -0.0594 0.4690 0.4690 3.0708 3.0708 5.2099 5.2099 6.0747 6.0747 8.2312 8.2312 9.0622 9.0622 14.3567 14.3567 15.1119 15.1119 15.5106 15.5106 15.7916 15.7916 16.5018 16.5018 19.2975 19.2975 20.8634 20.8634 21.5549 21.5549 22.8553 22.8553 k = 0.2955-0.0652-0.0545 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3886 -31.3886 -28.9979 -28.9979 -28.7200 -28.7200 -28.7016 -28.7016 -26.5577 -26.5577 -26.5144 -26.5144 -14.3436 -14.3436 -14.3306 -14.3306 -8.7719 -8.7719 -6.3535 -6.3535 -4.9220 -4.9220 -2.4398 -2.4398 -1.6969 -1.6969 -0.0679 -0.0679 0.4881 0.4881 3.0454 3.0454 5.2332 5.2332 6.1313 6.1313 8.2244 8.2244 9.1039 9.1039 14.3772 14.3772 15.0797 15.0797 15.4918 15.4918 15.8269 15.8269 16.4954 16.4954 19.1974 19.1974 20.8441 20.8441 21.5512 21.5512 22.9054 22.9054 k = 0.3068-0.0678-0.0566 ( 2590 PWs) bands (ev): -62.0448 -62.0448 -31.3878 -31.3878 -28.9976 -28.9976 -28.7195 -28.7195 -28.7015 -28.7015 -26.5604 -26.5604 -26.5147 -26.5147 -14.3425 -14.3425 -14.3290 -14.3290 -8.7696 -8.7696 -6.3636 -6.3636 -4.8828 -4.8828 -2.4974 -2.4974 -1.7093 -1.7093 -0.0763 -0.0763 0.5066 0.5066 3.0215 3.0215 5.2558 5.2558 6.1860 6.1860 8.2178 8.2178 9.1449 9.1449 14.3987 14.3987 15.0477 15.0477 15.4628 15.4628 15.8752 15.8752 16.4891 16.4891 19.0942 19.0942 20.8255 20.8255 21.5458 21.5458 22.8808 22.8808 k = 0.3182-0.0703-0.0587 ( 2586 PWs) bands (ev): -62.0447 -62.0447 -31.3871 -31.3871 -28.9973 -28.9973 -28.7191 -28.7191 -28.7014 -28.7014 -26.5629 -26.5629 -26.5151 -26.5151 -14.3415 -14.3415 -14.3274 -14.3274 -8.7674 -8.7674 -6.3732 -6.3732 -4.8431 -4.8431 -2.5549 -2.5549 -1.7212 -1.7212 -0.0845 -0.0845 0.5245 0.5245 2.9989 2.9989 5.2777 5.2777 6.2388 6.2388 8.2115 8.2115 9.1850 9.1850 14.4212 14.4212 15.0162 15.0162 15.4288 15.4288 15.9314 15.9314 16.4832 16.4832 18.9885 18.9885 20.8075 20.8075 21.5388 21.5388 22.8582 22.8582 k = 0.3295-0.0728-0.0608 ( 2587 PWs) bands (ev): -62.0447 -62.0447 -31.3863 -31.3863 -28.9971 -28.9971 -28.7187 -28.7187 -28.7013 -28.7013 -26.5654 -26.5654 -26.5154 -26.5154 -14.3405 -14.3405 -14.3259 -14.3259 -8.7652 -8.7652 -6.3825 -6.3825 -4.8031 -4.8031 -2.6119 -2.6119 -1.7327 -1.7327 -0.0925 -0.0925 0.5417 0.5417 2.9778 2.9778 5.2988 5.2988 6.2895 6.2895 8.2053 8.2053 9.2241 9.2241 14.4447 14.4447 14.9853 14.9853 15.3927 15.3927 15.9926 15.9926 16.4775 16.4775 18.8809 18.8809 20.7902 20.7902 21.5303 21.5303 22.8377 22.8377 k = 0.3409-0.0753-0.0629 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3856 -31.3856 -28.9968 -28.9968 -28.7183 -28.7183 -28.7012 -28.7012 -26.5678 -26.5678 -26.5157 -26.5157 -14.3396 -14.3396 -14.3244 -14.3244 -8.7631 -8.7631 -6.3913 -6.3913 -4.7629 -4.7629 -2.6684 -2.6684 -1.7437 -1.7437 -0.1002 -0.1002 0.5581 0.5581 2.9580 2.9580 5.3189 5.3189 6.3378 6.3378 8.1995 8.1995 9.2619 9.2619 14.4689 14.4689 14.9552 14.9552 15.3557 15.3557 16.0573 16.0573 16.4722 16.4722 18.7717 18.7717 20.7736 20.7736 21.5206 21.5206 22.8194 22.8194 k = 0.3523-0.0778-0.0650 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3849 -31.3849 -28.9966 -28.9966 -28.7179 -28.7179 -28.7010 -28.7010 -26.5701 -26.5701 -26.5160 -26.5160 -14.3387 -14.3387 -14.3230 -14.3230 -8.7612 -8.7612 -6.3997 -6.3997 -4.7227 -4.7227 -2.7240 -2.7240 -1.7542 -1.7542 -0.1076 -0.1076 0.5737 0.5737 2.9397 2.9397 5.3380 5.3380 6.3837 6.3837 8.1939 8.1939 9.2982 9.2982 14.4938 14.4938 14.9261 14.9261 15.3189 15.3189 16.1249 16.1249 16.4672 16.4672 18.6615 18.6615 20.7578 20.7578 21.5097 21.5097 22.8033 22.8033 k = 0.3636-0.0803-0.0671 ( 2590 PWs) bands (ev): -62.0447 -62.0447 -31.3843 -31.3843 -28.9963 -28.9963 -28.7176 -28.7176 -28.7009 -28.7009 -26.5723 -26.5723 -26.5163 -26.5163 -14.3378 -14.3378 -14.3217 -14.3217 -8.7593 -8.7593 -6.4075 -6.4075 -4.6826 -4.6826 -2.7785 -2.7785 -1.7641 -1.7641 -0.1146 -0.1146 0.5883 0.5883 2.9228 2.9228 5.3560 5.3560 6.4269 6.4269 8.1886 8.1886 9.3327 9.3327 14.5192 14.5192 14.8982 14.8982 15.2825 15.2825 16.1949 16.1949 16.4625 16.4625 18.5508 18.5508 20.7429 20.7429 21.4980 21.4980 22.7893 22.7893 k = 0.3750-0.0828-0.0692 ( 2588 PWs) bands (ev): -62.0447 -62.0447 -31.3837 -31.3837 -28.9961 -28.9961 -28.7172 -28.7172 -28.7008 -28.7008 -26.5743 -26.5743 -26.5165 -26.5165 -14.3370 -14.3370 -14.3204 -14.3204 -8.7575 -8.7575 -6.4148 -6.4148 -4.6430 -4.6430 -2.8315 -2.8315 -1.7733 -1.7733 -0.1212 -0.1212 0.6020 0.6020 2.9072 2.9072 5.3729 5.3729 6.4673 6.4673 8.1838 8.1838 9.3654 9.3654 14.5451 14.5451 14.8717 14.8717 15.2469 15.2469 16.2671 16.2671 16.4583 16.4583 18.4399 18.4399 20.7289 20.7289 21.4856 21.4856 22.7772 22.7772 k = 0.3864-0.0853-0.0713 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3831 -31.3831 -28.9959 -28.9959 -28.7169 -28.7169 -28.7007 -28.7007 -26.5762 -26.5762 -26.5168 -26.5168 -14.3363 -14.3363 -14.3193 -14.3193 -8.7559 -8.7559 -6.4216 -6.4216 -4.6042 -4.6042 -2.8828 -2.8828 -1.7819 -1.7819 -0.1274 -0.1274 0.6147 0.6147 2.8930 2.8930 5.3885 5.3885 6.5048 6.5048 8.1792 8.1792 9.3960 9.3960 14.5713 14.5713 14.8467 14.8467 15.2122 15.2122 16.3412 16.3412 16.4544 16.4544 18.3292 18.3292 20.7158 20.7158 21.4731 21.4731 22.7670 22.7670 k = 0.3977-0.0878-0.0734 ( 2593 PWs) bands (ev): -62.0447 -62.0447 -31.3826 -31.3826 -28.9957 -28.9957 -28.7166 -28.7166 -28.7006 -28.7006 -26.5779 -26.5779 -26.5170 -26.5170 -14.3356 -14.3356 -14.3182 -14.3182 -8.7544 -8.7544 -6.4278 -6.4278 -4.5666 -4.5666 -2.9319 -2.9319 -1.7898 -1.7898 -0.1331 -0.1331 0.6263 0.6263 2.8802 2.8802 5.4028 5.4028 6.5392 6.5392 8.1750 8.1750 9.4244 9.4244 14.5976 14.5976 14.8235 14.8235 15.1785 15.1785 16.4166 16.4166 16.4515 16.4515 18.2192 18.2192 20.7038 20.7038 21.4605 21.4605 22.7584 22.7584 k = 0.4091-0.0903-0.0755 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3821 -31.3821 -28.9956 -28.9956 -28.7164 -28.7164 -28.7006 -28.7006 -26.5796 -26.5796 -26.5173 -26.5173 -14.3350 -14.3350 -14.3173 -14.3173 -8.7530 -8.7530 -6.4334 -6.4334 -4.5304 -4.5304 -2.9784 -2.9784 -1.7969 -1.7969 -0.1383 -0.1383 0.6368 0.6368 2.8688 2.8688 5.4157 5.4157 6.5703 6.5703 8.1712 8.1712 9.4503 9.4503 14.6240 14.6240 14.8021 14.8021 15.1459 15.1459 16.4467 16.4467 16.4959 16.4959 18.1103 18.1103 20.6929 20.6930 21.4484 21.4484 22.7513 22.7513 k = 0.4205-0.0929-0.0776 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3817 -31.3817 -28.9954 -28.9954 -28.7161 -28.7161 -28.7005 -28.7005 -26.5810 -26.5810 -26.5175 -26.5175 -14.3344 -14.3344 -14.3164 -14.3164 -8.7518 -8.7518 -6.4383 -6.4383 -4.4963 -4.4963 -3.0217 -3.0217 -1.8033 -1.8033 -0.1430 -0.1430 0.6462 0.6462 2.8587 2.8587 5.4272 5.4272 6.5981 6.5981 8.1679 8.1679 9.4735 9.4735 14.6501 14.6501 14.7829 14.7829 15.1146 15.1146 16.4443 16.4443 16.5748 16.5748 18.0029 18.0029 20.6832 20.6832 21.4368 21.4368 22.7455 22.7455 k = 0.4318-0.0954-0.0797 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3813 -31.3813 -28.9953 -28.9953 -28.7159 -28.7159 -28.7004 -28.7004 -26.5822 -26.5822 -26.5176 -26.5176 -14.3339 -14.3339 -14.3157 -14.3157 -8.7507 -8.7507 -6.4427 -6.4427 -4.4648 -4.4648 -3.0612 -3.0612 -1.8088 -1.8088 -0.1471 -0.1471 0.6545 0.6545 2.8500 2.8500 5.4374 5.4374 6.6225 6.6225 8.1649 8.1649 9.4940 9.4940 14.6758 14.6758 14.7659 14.7659 15.0847 15.0847 16.4419 16.4419 16.6551 16.6551 17.8975 17.8975 20.6747 20.6747 21.4263 21.4263 22.7408 22.7408 k = 0.4432-0.0979-0.0818 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3810 -31.3810 -28.9952 -28.9952 -28.7157 -28.7157 -28.7004 -28.7004 -26.5833 -26.5833 -26.5178 -26.5178 -14.3335 -14.3335 -14.3150 -14.3150 -8.7498 -8.7498 -6.4464 -6.4464 -4.4364 -4.4364 -3.0964 -3.0964 -1.8136 -1.8136 -0.1506 -0.1506 0.6615 0.6615 2.8427 2.8427 5.4459 5.4459 6.6432 6.6432 8.1624 8.1624 9.5115 9.5115 14.7007 14.7007 14.7512 14.7512 15.0563 15.0563 16.4399 16.4399 16.7361 16.7361 17.7950 17.7950 20.6674 20.6674 21.4169 21.4169 22.7371 22.7371 k = 0.4545-0.1004-0.0839 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3807 -31.3807 -28.9951 -28.9951 -28.7156 -28.7156 -28.7003 -28.7003 -26.5842 -26.5842 -26.5179 -26.5179 -14.3332 -14.3332 -14.3145 -14.3145 -8.7490 -8.7490 -6.4495 -6.4495 -4.4119 -4.4119 -3.1266 -3.1266 -1.8175 -1.8175 -0.1535 -0.1535 0.6672 0.6672 2.8367 2.8367 5.4530 5.4530 6.6603 6.6603 8.1603 8.1603 9.5261 9.5261 14.7242 14.7242 14.7391 14.7391 15.0301 15.0301 16.4382 16.4382 16.8167 16.8167 17.6965 17.6965 20.6613 20.6613 21.4089 21.4089 22.7343 22.7343 k = 0.4659-0.1029-0.0860 ( 2594 PWs) bands (ev): -62.0447 -62.0447 -31.3805 -31.3805 -28.9950 -28.9950 -28.7155 -28.7155 -28.7003 -28.7003 -26.5849 -26.5849 -26.5180 -26.5180 -14.3329 -14.3329 -14.3141 -14.3141 -8.7484 -8.7484 -6.4518 -6.4518 -4.3919 -4.3919 -3.1509 -3.1509 -1.8206 -1.8206 -0.1558 -0.1558 0.6717 0.6717 2.8320 2.8320 5.4586 5.4586 6.6737 6.6737 8.1587 8.1587 9.5375 9.5375 14.7295 14.7295 14.7457 14.7457 15.0067 15.0067 16.4369 16.4369 16.8950 16.8950 17.6041 17.6041 20.6566 20.6566 21.4024 21.4024 22.7323 22.7323 k = 0.4773-0.1054-0.0881 ( 2598 PWs) bands (ev): -62.0447 -62.0447 -31.3804 -31.3804 -28.9950 -28.9950 -28.7154 -28.7154 -28.7003 -28.7003 -26.5854 -26.5854 -26.5181 -26.5181 -14.3327 -14.3327 -14.3138 -14.3138 -8.7480 -8.7480 -6.4536 -6.4536 -4.3771 -4.3771 -3.1689 -3.1689 -1.8228 -1.8228 -0.1574 -0.1574 0.6749 0.6749 2.8287 2.8287 5.4625 5.4625 6.6833 6.6833 8.1575 8.1575 9.5457 9.5457 14.7226 14.7226 14.7636 14.7636 14.9874 14.9874 16.4360 16.4360 16.9668 16.9668 17.5223 17.5223 20.6532 20.6532 21.3977 21.3977 22.7308 22.7308 k = 0.4886-0.1079-0.0902 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3803 -31.3803 -28.9949 -28.9949 -28.7154 -28.7154 -28.7003 -28.7003 -26.5857 -26.5857 -26.5181 -26.5181 -14.3326 -14.3326 -14.3136 -14.3136 -8.7478 -8.7478 -6.4547 -6.4547 -4.3680 -4.3680 -3.1799 -3.1799 -1.8241 -1.8241 -0.1584 -0.1584 0.6768 0.6768 2.8267 2.8267 5.4649 5.4649 6.6891 6.6891 8.1568 8.1568 9.5507 9.5507 14.7184 14.7184 14.7759 14.7759 14.9743 14.9743 16.4354 16.4354 17.0225 17.0225 17.4604 17.4604 20.6512 20.6512 21.3949 21.3949 22.7300 22.7300 k = 0.5000-0.1104-0.0923 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3803 -31.3803 -28.9949 -28.9949 -28.7154 -28.7154 -28.7002 -28.7002 -26.5858 -26.5858 -26.5181 -26.5181 -14.3326 -14.3326 -14.3135 -14.3135 -8.7477 -8.7477 -6.4551 -6.4551 -4.3649 -4.3649 -3.1836 -3.1836 -1.8245 -1.8245 -0.1588 -0.1588 0.6775 0.6775 2.8260 2.8260 5.4657 5.4657 6.6910 6.6910 8.1566 8.1566 9.5524 9.5524 14.7170 14.7170 14.7804 14.7804 14.9696 14.9696 16.4353 16.4353 17.0450 17.0450 17.4359 17.4359 20.6505 20.6505 21.3939 21.3939 22.7297 22.7297 k = 0.5000-0.1104-0.0923 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3803 -31.3803 -28.9949 -28.9949 -28.7154 -28.7154 -28.7002 -28.7002 -26.5858 -26.5858 -26.5181 -26.5181 -14.3326 -14.3326 -14.3135 -14.3135 -8.7477 -8.7477 -6.4551 -6.4551 -4.3649 -4.3649 -3.1836 -3.1836 -1.8245 -1.8245 -0.1588 -0.1588 0.6775 0.6775 2.8260 2.8260 5.4657 5.4657 6.6910 6.6910 8.1566 8.1566 9.5524 9.5524 14.7170 14.7170 14.7804 14.7804 14.9696 14.9696 16.4353 16.4353 17.0450 17.0450 17.4359 17.4359 20.6505 20.6505 21.3939 21.3939 22.7297 22.7297 k = 0.5000-0.1028-0.1014 ( 2602 PWs) bands (ev): -62.0447 -62.0447 -31.3803 -31.3803 -28.9949 -28.9949 -28.7154 -28.7154 -28.7003 -28.7003 -26.5858 -26.5858 -26.5182 -26.5182 -14.3324 -14.3324 -14.3137 -14.3137 -8.7476 -8.7476 -6.4553 -6.4553 -4.3644 -4.3644 -3.1830 -3.1830 -1.8264 -1.8264 -0.1584 -0.1584 0.6776 0.6776 2.8254 2.8254 5.4686 5.4686 6.6895 6.6895 8.1578 8.1578 9.5521 9.5521 14.7142 14.7142 14.7817 14.7817 14.9724 14.9724 16.4269 16.4269 17.0457 17.0457 17.4435 17.4435 20.6533 20.6533 21.3937 21.3937 22.7265 22.7265 k = 0.5000-0.0952-0.1105 ( 2594 PWs) bands (ev): -62.0447 -62.0447 -31.3801 -31.3801 -28.9950 -28.9950 -28.7154 -28.7154 -28.7003 -28.7003 -26.5857 -26.5857 -26.5182 -26.5182 -14.3321 -14.3321 -14.3140 -14.3140 -8.7474 -8.7474 -6.4560 -6.4560 -4.3630 -4.3630 -3.1809 -3.1809 -1.8320 -1.8320 -0.1575 -0.1575 0.6781 0.6781 2.8235 2.8235 5.4770 5.4770 6.6851 6.6851 8.1613 8.1613 9.5512 9.5512 14.7062 14.7062 14.7857 14.7857 14.9808 14.9808 16.4027 16.4027 17.0478 17.0478 17.4657 17.4657 20.6617 20.6617 21.3932 21.3932 22.7167 22.7167 k = 0.5000-0.0876-0.1196 ( 2598 PWs) bands (ev): -62.0447 -62.0447 -31.3799 -31.3799 -28.9951 -28.9951 -28.7155 -28.7155 -28.7004 -28.7004 -26.5855 -26.5855 -26.5184 -26.5184 -14.3316 -14.3316 -14.3147 -14.3147 -8.7470 -8.7470 -6.4574 -6.4574 -4.3606 -4.3606 -3.1774 -3.1774 -1.8414 -1.8414 -0.1559 -0.1559 0.6788 0.6788 2.8205 2.8205 5.4910 5.4910 6.6777 6.6777 8.1672 8.1672 9.5497 9.5497 14.6939 14.6939 14.7923 14.7923 14.9935 14.9935 16.3647 16.3647 17.0513 17.0513 17.5003 17.5003 20.6755 20.6755 21.3923 21.3923 22.7007 22.7007 k = 0.5000-0.0800-0.1287 ( 2594 PWs) bands (ev): -62.0447 -62.0447 -31.3796 -31.3796 -28.9952 -28.9952 -28.7156 -28.7156 -28.7006 -28.7006 -26.5853 -26.5853 -26.5185 -26.5185 -14.3308 -14.3308 -14.3156 -14.3156 -8.7466 -8.7466 -6.4593 -6.4593 -4.3572 -4.3572 -3.1726 -3.1726 -1.8544 -1.8544 -0.1536 -0.1536 0.6798 0.6798 2.8164 2.8164 5.5103 5.5103 6.6673 6.6673 8.1753 8.1753 9.5476 9.5476 14.6783 14.6783 14.8016 14.8016 15.0096 15.0096 16.3155 16.3155 17.0562 17.0562 17.5449 17.5449 20.6945 20.6945 21.3909 21.3909 22.6789 22.6789 k = 0.5000-0.0724-0.1378 ( 2596 PWs) bands (ev): -62.0447 -62.0447 -31.3793 -31.3793 -28.9953 -28.9953 -28.7157 -28.7157 -28.7008 -28.7008 -26.5851 -26.5851 -26.5188 -26.5188 -14.3299 -14.3299 -14.3167 -14.3167 -8.7460 -8.7460 -6.4619 -6.4619 -4.3529 -4.3529 -3.1663 -3.1663 -1.8709 -1.8709 -0.1508 -0.1508 0.6810 0.6810 2.8114 2.8114 5.5347 5.5347 6.6542 6.6542 8.1857 8.1857 9.5449 9.5449 14.6605 14.6605 14.8134 14.8134 15.0281 15.0281 16.2578 16.2578 17.0625 17.0625 17.5971 17.5971 20.7185 20.7185 21.3891 21.3891 22.6516 22.6516 k = 0.5000-0.0647-0.1469 ( 2594 PWs) bands (ev): -62.0447 -62.0447 -31.3788 -31.3788 -28.9955 -28.9955 -28.7159 -28.7159 -28.7010 -28.7010 -26.5848 -26.5848 -26.5191 -26.5191 -14.3289 -14.3289 -14.3180 -14.3180 -8.7453 -8.7453 -6.4649 -6.4649 -4.3477 -4.3477 -3.1587 -3.1587 -1.8908 -1.8908 -0.1472 -0.1472 0.6825 0.6825 2.8058 2.8058 5.5638 5.5638 6.6382 6.6382 8.1982 8.1982 9.5416 9.5416 14.6411 14.6411 14.8278 14.8278 15.0480 15.0480 16.1938 16.1938 17.0702 17.0702 17.6546 17.6546 20.7470 20.7470 21.3866 21.3866 22.6195 22.6195 k = 0.5000-0.0571-0.1560 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3783 -31.3783 -28.9957 -28.9957 -28.7161 -28.7161 -28.7013 -28.7013 -26.5845 -26.5845 -26.5194 -26.5194 -14.3278 -14.3278 -14.3193 -14.3193 -8.7445 -8.7445 -6.4686 -6.4686 -4.3415 -4.3415 -3.1498 -3.1498 -1.9140 -1.9140 -0.1430 -0.1430 0.6842 0.6842 2.7995 2.7995 5.5972 5.5972 6.6195 6.6195 8.2128 8.2128 9.5378 9.5378 14.6208 14.6208 14.8448 14.8448 15.0688 15.0688 16.1256 16.1256 17.0792 17.0792 17.7159 17.7159 20.7796 20.7796 21.3834 21.3834 22.5832 22.5832 k = 0.5000-0.0495-0.1651 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3777 -31.3777 -28.9959 -28.9959 -28.7163 -28.7163 -28.7016 -28.7016 -26.5841 -26.5841 -26.5198 -26.5198 -14.3269 -14.3269 -14.3205 -14.3205 -8.7436 -8.7436 -6.4728 -6.4728 -4.3345 -4.3345 -3.1395 -3.1395 -1.9403 -1.9403 -0.1381 -0.1381 0.6862 0.6862 2.7929 2.7929 5.6345 5.6345 6.5981 6.5981 8.2295 8.2295 9.5335 9.5335 14.5997 14.5997 14.8643 14.8643 15.0899 15.0899 16.0546 16.0546 17.0895 17.0895 17.7799 17.7799 20.8157 20.8157 21.3794 21.3794 22.5435 22.5435 k = 0.5000-0.0419-0.1743 ( 2594 PWs) bands (ev): -62.0447 -62.0447 -31.3771 -31.3771 -28.9962 -28.9962 -28.7166 -28.7166 -28.7019 -28.7019 -26.5836 -26.5836 -26.5202 -26.5202 -14.3270 -14.3270 -14.3208 -14.3208 -8.7427 -8.7427 -6.4776 -6.4776 -4.3266 -4.3266 -3.1278 -3.1278 -1.9695 -1.9695 -0.1325 -0.1325 0.6885 0.6885 2.7862 2.7862 5.6753 5.6753 6.5742 6.5742 8.2479 8.2479 9.5286 9.5286 14.5783 14.5783 14.8862 14.8862 15.1108 15.1108 15.9822 15.9822 17.1012 17.1012 17.8455 17.8455 20.8546 20.8546 21.3743 21.3743 22.5010 22.5010 k = 0.5000-0.0343-0.1834 ( 2590 PWs) bands (ev): -62.0447 -62.0447 -31.3763 -31.3763 -28.9965 -28.9965 -28.7169 -28.7169 -28.7023 -28.7023 -26.5831 -26.5831 -26.5207 -26.5207 -14.3282 -14.3282 -14.3200 -14.3200 -8.7417 -8.7417 -6.4830 -6.4830 -4.3178 -4.3178 -3.1147 -3.1147 -2.0014 -2.0014 -0.1263 -0.1263 0.6909 0.6909 2.7796 2.7796 5.7190 5.7190 6.5479 6.5479 8.2682 8.2682 9.5232 9.5232 14.5568 14.5568 14.9106 14.9106 15.1310 15.1310 15.9093 15.9093 17.1142 17.1142 17.9122 17.9122 20.8958 20.8958 21.3680 21.3680 22.4016 22.4016 k = 0.5000-0.0267-0.1925 ( 2594 PWs) bands (ev): -62.0447 -62.0447 -31.3755 -31.3755 -28.9968 -28.9968 -28.7172 -28.7172 -28.7027 -28.7027 -26.5826 -26.5826 -26.5212 -26.5212 -14.3302 -14.3302 -14.3184 -14.3184 -8.7406 -8.7406 -6.4889 -6.4889 -4.3083 -4.3083 -3.1004 -3.1004 -2.0358 -2.0358 -0.1193 -0.1193 0.6936 0.6936 2.7732 2.7732 5.7653 5.7653 6.5191 6.5191 8.2901 8.2901 9.5173 9.5173 14.5353 14.5353 14.9373 14.9373 15.1499 15.1499 15.8371 15.8371 17.1284 17.1284 17.9793 17.9793 20.9383 20.9383 21.3602 21.3602 22.2632 22.2633 k = 0.5000-0.0191-0.2016 ( 2598 PWs) bands (ev): -62.0447 -62.0447 -31.3747 -31.3747 -28.9971 -28.9971 -28.7176 -28.7176 -28.7030 -28.7030 -26.5820 -26.5820 -26.5219 -26.5219 -14.3327 -14.3327 -14.3165 -14.3165 -8.7396 -8.7396 -6.4954 -6.4954 -4.2980 -4.2980 -3.0847 -3.0847 -2.0724 -2.0724 -0.1116 -0.1116 0.6964 0.6964 2.7673 2.7673 5.8135 5.8135 6.4881 6.4881 8.3136 8.3136 9.5110 9.5110 14.5140 14.5140 14.9662 14.9662 15.1668 15.1668 15.7667 15.7667 17.1439 17.1439 18.0468 18.0468 20.9812 20.9812 21.3507 21.3507 22.1280 22.1280 k = 0.5000-0.0115-0.2107 ( 2596 PWs) bands (ev): -62.0447 -62.0447 -31.3738 -31.3738 -28.9975 -28.9975 -28.7179 -28.7179 -28.7034 -28.7034 -26.5814 -26.5814 -26.5224 -26.5224 -14.3353 -14.3353 -14.3144 -14.3144 -8.7385 -8.7385 -6.5025 -6.5025 -4.2871 -4.2871 -3.0677 -3.0677 -2.1109 -2.1109 -0.1031 -0.1031 0.6995 0.6995 2.7620 2.7620 5.8632 5.8632 6.4550 6.4550 8.3385 8.3385 9.5042 9.5042 14.4929 14.4929 14.9974 14.9974 15.1807 15.1807 15.6992 15.6992 17.1606 17.1606 18.1142 18.1142 21.0233 21.0233 21.3393 21.3393 21.9973 21.9973 k = 0.5000-0.0039-0.2198 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3728 -31.3728 -28.9978 -28.9978 -28.7183 -28.7183 -28.7038 -28.7038 -26.5808 -26.5808 -26.5231 -26.5231 -14.3382 -14.3382 -14.3122 -14.3122 -8.7375 -8.7375 -6.5101 -6.5101 -4.2755 -4.2755 -3.0495 -3.0495 -2.1510 -2.1510 -0.0938 -0.0938 0.7027 0.7027 2.7574 2.7574 5.9139 5.9139 6.4198 6.4198 8.3647 8.3647 9.4970 9.4970 14.4721 14.4721 15.0308 15.0308 15.1904 15.1904 15.6363 15.6363 17.1785 17.1785 18.1815 18.1815 21.0628 21.0628 21.3257 21.3257 21.8725 21.8725 k = 0.5000 0.0038-0.2289 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3718 -31.3718 -28.9982 -28.9982 -28.7188 -28.7188 -28.7042 -28.7042 -26.5801 -26.5801 -26.5239 -26.5239 -14.3412 -14.3412 -14.3100 -14.3100 -8.7365 -8.7365 -6.5183 -6.5183 -4.2634 -4.2634 -3.0300 -3.0300 -2.1924 -2.1924 -0.0838 -0.0838 0.7061 0.7061 2.7538 2.7538 5.9652 5.9652 6.3827 6.3827 8.3921 8.3921 9.4894 9.4894 14.4517 14.4517 15.0661 15.0661 15.1938 15.1938 15.5800 15.5800 17.1976 17.1976 18.2484 18.2484 21.0972 21.0972 21.3098 21.3098 21.7561 21.7561 k = 0.5000 0.0114-0.2380 ( 2586 PWs) bands (ev): -62.0447 -62.0447 -31.3708 -31.3708 -28.9986 -28.9986 -28.7192 -28.7192 -28.7046 -28.7046 -26.5794 -26.5794 -26.5246 -26.5246 -14.3442 -14.3442 -14.3077 -14.3077 -8.7355 -8.7355 -6.5270 -6.5270 -4.2509 -4.2509 -3.0092 -3.0092 -2.2349 -2.2349 -0.0730 -0.0730 0.7097 0.7097 2.7511 2.7511 6.0164 6.0164 6.3439 6.3439 8.4204 8.4204 9.4814 9.4814 14.4318 14.4318 15.1034 15.1034 15.1885 15.1885 15.5328 15.5328 17.2179 17.2179 18.3148 18.3148 21.1223 21.1223 21.2914 21.2914 21.6522 21.6522 k = 0.5000 0.0190-0.2471 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3697 -31.3697 -28.9990 -28.9990 -28.7197 -28.7197 -28.7050 -28.7050 -26.5788 -26.5788 -26.5254 -26.5254 -14.3474 -14.3474 -14.3054 -14.3054 -8.7347 -8.7347 -6.5364 -6.5364 -4.2380 -4.2380 -2.9873 -2.9873 -2.2780 -2.2780 -0.0615 -0.0615 0.7133 0.7133 2.7495 2.7495 6.0672 6.0672 6.3033 6.3033 8.4497 8.4497 9.4731 9.4731 14.4124 14.4124 15.1423 15.1423 15.1725 15.1725 15.4971 15.4971 17.2394 17.2394 18.3807 18.3807 21.1311 21.1311 21.2703 21.2703 21.5676 21.5676 k = 0.5000 0.0266-0.2562 ( 2596 PWs) bands (ev): -62.0447 -62.0447 -31.3687 -31.3687 -28.9994 -28.9994 -28.7202 -28.7202 -28.7054 -28.7054 -26.5781 -26.5781 -26.5263 -26.5263 -14.3506 -14.3506 -14.3031 -14.3031 -8.7339 -8.7339 -6.5463 -6.5463 -4.2250 -4.2250 -2.9641 -2.9641 -2.3214 -2.3214 -0.0491 -0.0491 0.7171 0.7171 2.7491 2.7491 6.1169 6.1169 6.2614 6.2614 8.4796 8.4796 9.4644 9.4644 14.3935 14.3935 15.1437 15.1437 15.1841 15.1841 15.4734 15.4734 17.2619 17.2619 18.4460 18.4460 21.1144 21.1144 21.2468 21.2468 21.5114 21.5114 k = 0.5000 0.0342-0.2653 ( 2596 PWs) bands (ev): -62.0447 -62.0447 -31.3676 -31.3676 -28.9998 -28.9998 -28.7207 -28.7207 -28.7057 -28.7057 -26.5774 -26.5774 -26.5271 -26.5271 -14.3538 -14.3538 -14.3009 -14.3009 -8.7333 -8.7333 -6.5567 -6.5567 -4.2120 -4.2120 -2.9398 -2.9398 -2.3648 -2.3648 -0.0360 -0.0360 0.7211 0.7211 2.7498 2.7498 6.1646 6.1646 6.2188 6.2188 8.5101 8.5101 9.4555 9.4555 14.3752 14.3752 15.1063 15.1063 15.2264 15.2264 15.4600 15.4600 17.2857 17.2857 18.5105 18.5105 21.0689 21.0689 21.2210 21.2210 21.4870 21.4870 k = 0.5000 0.0418-0.2744 ( 2588 PWs) bands (ev): -62.0447 -62.0447 -31.3664 -31.3664 -29.0002 -29.0002 -28.7211 -28.7211 -28.7061 -28.7061 -26.5767 -26.5767 -26.5280 -26.5280 -14.3570 -14.3570 -14.2988 -14.2988 -8.7328 -8.7328 -6.5676 -6.5676 -4.1991 -4.1991 -2.9144 -2.9144 -2.4076 -2.4076 -0.0221 -0.0221 0.7251 0.7251 2.7519 2.7519 6.1703 6.1703 6.2152 6.2152 8.5411 8.5411 9.4462 9.4462 14.3575 14.3575 15.0622 15.0622 15.2704 15.2704 15.4535 15.4535 17.3105 17.3105 18.5742 18.5742 21.0025 21.0025 21.1933 21.1933 21.4864 21.4864 k = 0.5000 0.0494-0.2835 ( 2588 PWs) bands (ev): -62.0447 -62.0447 -31.3652 -31.3652 -29.0006 -29.0006 -28.7216 -28.7216 -28.7064 -28.7064 -26.5760 -26.5760 -26.5289 -26.5289 -14.3602 -14.3602 -14.2967 -14.2967 -8.7325 -8.7325 -6.5790 -6.5790 -4.1867 -4.1867 -2.8879 -2.8879 -2.4495 -2.4495 -0.0073 -0.0073 0.7292 0.7292 2.7552 2.7552 6.1254 6.1254 6.2587 6.2587 8.5724 8.5724 9.4367 9.4367 14.3404 14.3404 15.0145 15.0145 15.3157 15.3157 15.4510 15.4510 17.3365 17.3365 18.6369 18.6369 20.9264 20.9264 21.1641 21.1641 21.4984 21.4984 k = 0.5000 0.0570-0.2926 ( 2588 PWs) bands (ev): -62.0447 -62.0447 -31.3641 -31.3641 -29.0009 -29.0009 -28.7221 -28.7221 -28.7067 -28.7067 -26.5753 -26.5753 -26.5299 -26.5299 -14.3634 -14.3634 -14.2948 -14.2948 -8.7324 -8.7324 -6.5909 -6.5909 -4.1748 -4.1748 -2.8604 -2.8604 -2.4901 -2.4901 0.0082 0.0082 0.7333 0.7333 2.7598 2.7598 6.0784 6.0784 6.3009 6.3009 8.6038 8.6038 9.4270 9.4270 14.3240 14.3240 14.9654 14.9654 15.3623 15.3623 15.4501 15.4501 17.3637 17.3637 18.6986 18.6986 20.8483 20.8483 21.1338 21.1338 21.5152 21.5152 k = 0.5000 0.0647-0.3017 ( 2586 PWs) bands (ev): -62.0447 -62.0447 -31.3630 -31.3630 -29.0013 -29.0013 -28.7226 -28.7226 -28.7070 -28.7070 -26.5746 -26.5746 -26.5309 -26.5309 -14.3664 -14.3664 -14.2931 -14.2931 -8.7324 -8.7324 -6.6033 -6.6033 -4.1638 -4.1638 -2.8318 -2.8318 -2.5290 -2.5290 0.0244 0.0244 0.7376 0.7376 2.7658 2.7658 6.0303 6.0303 6.3403 6.3403 8.6353 8.6353 9.4170 9.4170 14.3082 14.3082 14.9164 14.9164 15.4097 15.4097 15.4496 15.4496 17.3921 17.3921 18.7591 18.7591 20.7725 20.7725 21.1030 21.1030 21.5327 21.5327 k = 0.5000 0.0723-0.3109 ( 2586 PWs) bands (ev): -62.0446 -62.0446 -31.3618 -31.3618 -29.0017 -29.0017 -28.7231 -28.7231 -28.7072 -28.7072 -26.5739 -26.5739 -26.5319 -26.5319 -14.3694 -14.3694 -14.2915 -14.2915 -8.7327 -8.7327 -6.6161 -6.6161 -4.1540 -4.1540 -2.8024 -2.8024 -2.5655 -2.5655 0.0415 0.0415 0.7418 0.7418 2.7730 2.7730 5.9813 5.9813 6.3766 6.3766 8.6666 8.6666 9.4069 9.4069 14.2930 14.2930 14.8683 14.8683 15.4468 15.4468 15.4596 15.4596 17.4217 17.4217 18.8183 18.8183 20.7014 20.7014 21.0722 21.0722 21.5487 21.5487 k = 0.5000 0.0799-0.3200 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3607 -31.3607 -29.0020 -29.0020 -28.7236 -28.7236 -28.7074 -28.7074 -26.5732 -26.5732 -26.5329 -26.5329 -14.3723 -14.3723 -14.2901 -14.2901 -8.7332 -8.7332 -6.6293 -6.6293 -4.1457 -4.1457 -2.7720 -2.7720 -2.5994 -2.5994 0.0593 0.0593 0.7461 0.7461 2.7816 2.7816 5.9316 5.9316 6.4094 6.4094 8.6976 8.6976 9.3965 9.3965 14.2784 14.2784 14.8218 14.8218 15.4447 15.4447 15.5080 15.5080 17.4525 17.4525 18.8761 18.8761 20.6364 20.6364 21.0419 21.0419 21.5616 21.5616 k = 0.5000 0.0875-0.3291 ( 2588 PWs) bands (ev): -62.0446 -62.0446 -31.3596 -31.3596 -29.0023 -29.0023 -28.7241 -28.7241 -28.7076 -28.7076 -26.5726 -26.5726 -26.5339 -26.5339 -14.3751 -14.3751 -14.2890 -14.2890 -8.7339 -8.7339 -6.6429 -6.6429 -4.1392 -4.1392 -2.7409 -2.7409 -2.6300 -2.6300 0.0778 0.0778 0.7505 0.7505 2.7915 2.7915 5.8813 5.8813 6.4385 6.4385 8.7282 8.7282 9.3861 9.3861 14.2643 14.2643 14.7773 14.7773 15.4402 15.4402 15.5576 15.5576 17.4845 17.4845 18.9324 18.9324 20.5783 20.5783 21.0126 21.0126 21.5708 21.5708 k = 0.5000 0.0951-0.3382 ( 2588 PWs) bands (ev): -62.0446 -62.0446 -31.3585 -31.3585 -29.0026 -29.0026 -28.7245 -28.7245 -28.7078 -28.7078 -26.5719 -26.5719 -26.5350 -26.5350 -14.3777 -14.3777 -14.2880 -14.2880 -8.7349 -8.7349 -6.6570 -6.6570 -4.1349 -4.1349 -2.7090 -2.7090 -2.6569 -2.6569 0.0971 0.0971 0.7548 0.7548 2.8028 2.8028 5.8305 5.8305 6.4635 6.4635 8.7583 8.7583 9.3755 9.3755 14.2508 14.2508 14.7348 14.7348 15.4338 15.4338 15.6077 15.6077 17.5179 17.5179 18.9871 18.9871 20.5277 20.5277 20.9848 20.9848 21.5756 21.5756 k = 0.5000 0.1027-0.3473 ( 2588 PWs) bands (ev): -62.0446 -62.0446 -31.3574 -31.3574 -29.0029 -29.0029 -28.7249 -28.7249 -28.7080 -28.7080 -26.5713 -26.5713 -26.5361 -26.5361 -14.3802 -14.3802 -14.2873 -14.2873 -8.7361 -8.7361 -6.6714 -6.6714 -4.1329 -4.1329 -2.6811 -2.6811 -2.6748 -2.6748 0.1170 0.1170 0.7591 0.7591 2.8153 2.8153 5.7793 5.7793 6.4843 6.4843 8.7878 8.7878 9.3648 9.3648 14.2375 14.2375 14.6947 14.6947 15.4255 15.4255 15.6578 15.6578 17.5527 17.5527 19.0403 19.0403 20.4850 20.4850 20.9588 20.9588 21.5757 21.5757 k = 0.5000 0.1103-0.3564 ( 2588 PWs) bands (ev): -62.0446 -62.0446 -31.3564 -31.3564 -29.0031 -29.0031 -28.7253 -28.7253 -28.7081 -28.7081 -26.5707 -26.5707 -26.5372 -26.5372 -14.3825 -14.3825 -14.2869 -14.2869 -8.7376 -8.7376 -6.6861 -6.6861 -4.1337 -4.1337 -2.6982 -2.6982 -2.6427 -2.6427 0.1376 0.1376 0.7634 0.7634 2.8291 2.8291 5.7279 5.7279 6.5006 6.5006 8.8164 8.8164 9.3540 9.3540 14.2245 14.2245 14.6569 14.6569 15.4154 15.4154 15.7079 15.7079 17.5889 17.5889 19.0917 19.0917 20.4502 20.4502 20.9350 20.9350 21.5708 21.5708 k = 0.5000 0.1179-0.3655 ( 2580 PWs) bands (ev): -62.0446 -62.0446 -31.3553 -31.3553 -29.0033 -29.0033 -28.7256 -28.7256 -28.7082 -28.7082 -26.5701 -26.5701 -26.5383 -26.5383 -14.3846 -14.3846 -14.2867 -14.2867 -8.7393 -8.7393 -6.7010 -6.7010 -4.1375 -4.1375 -2.7116 -2.7116 -2.6088 -2.6088 0.1588 0.1588 0.7677 0.7677 2.8442 2.8442 5.6764 5.6764 6.5123 6.5123 8.8442 8.8442 9.3433 9.3433 14.2116 14.2116 14.6215 14.6215 15.4039 15.4039 15.7577 15.7577 17.6264 17.6264 19.1416 19.1416 20.4233 20.4233 20.9136 20.9136 21.5608 21.5608 k = 0.5000 0.1255-0.3746 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3543 -31.3543 -29.0035 -29.0035 -28.7259 -28.7259 -28.7083 -28.7083 -26.5696 -26.5696 -26.5394 -26.5394 -14.3866 -14.3866 -14.2868 -14.2868 -8.7414 -8.7414 -6.7162 -6.7162 -4.1443 -4.1443 -2.7201 -2.7201 -2.5744 -2.5744 0.1806 0.1806 0.7719 0.7719 2.8605 2.8605 5.6249 5.6249 6.5193 6.5193 8.8710 8.8710 9.3324 9.3324 14.1984 14.1984 14.5885 14.5885 15.3913 15.3913 15.8071 15.8071 17.6655 17.6655 19.1899 19.1899 20.4040 20.4040 20.8949 20.8949 21.5457 21.5457 k = 0.5000 0.1332-0.3837 ( 2594 PWs) bands (ev): -62.0446 -62.0446 -31.3535 -31.3535 -29.0037 -29.0037 -28.7262 -28.7262 -28.7083 -28.7083 -26.5692 -26.5692 -26.5407 -26.5407 -14.3884 -14.3884 -14.2873 -14.2873 -8.7437 -8.7437 -6.7316 -6.7316 -4.1543 -4.1543 -2.7233 -2.7233 -2.5395 -2.5395 0.2029 0.2029 0.7761 0.7761 2.8781 2.8781 5.5734 5.5734 6.5213 6.5213 8.8966 8.8966 9.3215 9.3215 14.1846 14.1846 14.5580 14.5580 15.3779 15.3779 15.8556 15.8556 17.7060 17.7060 19.2368 19.2368 20.3918 20.3918 20.8788 20.8788 21.5253 21.5253 k = 0.5000 0.1408-0.3928 ( 2594 PWs) bands (ev): -62.0446 -62.0446 -31.3526 -31.3526 -29.0039 -29.0039 -28.7264 -28.7264 -28.7083 -28.7083 -26.5687 -26.5687 -26.5418 -26.5418 -14.3899 -14.3899 -14.2879 -14.2879 -8.7462 -8.7462 -6.7472 -6.7472 -4.1674 -4.1674 -2.7213 -2.7213 -2.5042 -2.5042 0.2257 0.2257 0.7802 0.7802 2.8969 2.8969 5.5222 5.5222 6.5184 6.5184 8.9211 8.9211 9.3107 9.3107 14.1700 14.1700 14.5300 14.5300 15.3646 15.3646 15.9034 15.9034 17.7479 17.7479 19.2826 19.2826 20.3863 20.3863 20.8657 20.8657 21.4998 21.4998 k = 0.5000 0.1484-0.4019 ( 2592 PWs) bands (ev): -62.0446 -62.0446 -31.3517 -31.3517 -29.0040 -29.0040 -28.7266 -28.7266 -28.7083 -28.7083 -26.5683 -26.5683 -26.5430 -26.5430 -14.3913 -14.3913 -14.2888 -14.2888 -8.7491 -8.7491 -6.7629 -6.7629 -4.1836 -4.1836 -2.7140 -2.7140 -2.4687 -2.4687 0.2489 0.2489 0.7842 0.7842 2.9169 2.9169 5.4713 5.4713 6.5104 6.5104 8.9444 8.9444 9.2999 9.2999 14.1541 14.1541 14.5046 14.5046 15.3518 15.3518 15.9500 15.9500 17.7913 17.7913 19.3274 19.3274 20.3867 20.3867 20.8555 20.8555 21.4692 21.4693 k = 0.5000 0.1560-0.4110 ( 2588 PWs) bands (ev): -62.0446 -62.0446 -31.3509 -31.3509 -29.0040 -29.0040 -28.7267 -28.7267 -28.7083 -28.7083 -26.5679 -26.5679 -26.5440 -26.5440 -14.3924 -14.3924 -14.2900 -14.2900 -8.7522 -8.7522 -6.7786 -6.7786 -4.2025 -4.2025 -2.7019 -2.7019 -2.4329 -2.4329 0.2726 0.2726 0.7881 0.7881 2.9382 2.9382 5.4209 5.4209 6.4975 6.4975 8.9664 8.9664 9.2892 9.2892 14.1362 14.1362 14.4819 14.4819 15.3403 15.3403 15.9954 15.9954 17.8361 17.8361 19.3714 19.3714 20.3922 20.3922 20.8482 20.8482 21.4340 21.4340 k = 0.5000 0.1636-0.4201 ( 2590 PWs) bands (ev): -62.0446 -62.0446 -31.3501 -31.3501 -29.0040 -29.0040 -28.7268 -28.7268 -28.7082 -28.7082 -26.5675 -26.5675 -26.5452 -26.5452 -14.3933 -14.3933 -14.2915 -14.2915 -8.7555 -8.7555 -6.7945 -6.7945 -4.2240 -4.2240 -2.6849 -2.6849 -2.3970 -2.3970 0.2966 0.2966 0.7919 0.7919 2.9606 2.9606 5.3710 5.3710 6.4795 6.4795 8.9869 8.9869 9.2786 9.2786 14.1160 14.1160 14.4621 14.4621 15.3307 15.3307 16.0394 16.0394 17.8823 17.8823 19.4150 19.4150 20.4019 20.4019 20.8438 20.8438 21.3942 21.3942 k = 0.5000 0.1712-0.4292 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3493 -31.3493 -29.0040 -29.0040 -28.7269 -28.7269 -28.7081 -28.7081 -26.5672 -26.5672 -26.5462 -26.5462 -14.3940 -14.3940 -14.2932 -14.2932 -8.7590 -8.7590 -6.8103 -6.8103 -4.2478 -4.2478 -2.6635 -2.6635 -2.3611 -2.3611 0.3209 0.3209 0.7957 0.7957 2.9842 2.9842 5.3217 5.3217 6.4565 6.4565 9.0061 9.0061 9.2682 9.2682 14.0930 14.0930 14.4453 14.4453 15.3238 15.3238 16.0818 16.0818 17.9296 17.9296 19.4581 19.4581 20.4146 20.4146 20.8423 20.8423 21.3503 21.3503 k = 0.5000 0.1788-0.4383 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3487 -31.3487 -29.0040 -29.0040 -28.7269 -28.7269 -28.7079 -28.7079 -26.5669 -26.5669 -26.5473 -26.5473 -14.3946 -14.3946 -14.2952 -14.2952 -8.7628 -8.7628 -6.8261 -6.8261 -4.2735 -4.2735 -2.6380 -2.6380 -2.3251 -2.3251 0.3454 0.3454 0.7992 0.7992 3.0091 3.0091 5.2732 5.2732 6.4286 6.4286 9.0237 9.0237 9.2579 9.2579 14.0666 14.0666 14.4316 14.4316 15.3202 15.3202 16.1225 16.1225 17.9779 17.9779 19.5010 19.5010 20.4292 20.4292 20.8435 20.8435 21.3030 21.3030 k = 0.5000 0.1864-0.4474 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3480 -31.3480 -29.0039 -29.0039 -28.7269 -28.7269 -28.7078 -28.7078 -26.5667 -26.5667 -26.5484 -26.5484 -14.3949 -14.3949 -14.2974 -14.2974 -8.7668 -8.7668 -6.8419 -6.8419 -4.3008 -4.3008 -2.6089 -2.6089 -2.2893 -2.2893 0.3700 0.3700 0.8026 0.8026 3.0351 3.0351 5.2254 5.2254 6.3959 6.3959 9.0399 9.0399 9.2478 9.2478 14.0368 14.0368 14.4211 14.4211 15.3204 15.3204 16.1614 16.1614 18.0272 18.0272 19.5437 19.5437 20.4445 20.4445 20.8474 20.8474 21.2530 21.2530 k = 0.5000 0.1941-0.4566 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3475 -31.3475 -29.0039 -29.0039 -28.7268 -28.7268 -28.7076 -28.7076 -26.5665 -26.5665 -26.5495 -26.5495 -14.3950 -14.3950 -14.2999 -14.2999 -8.7710 -8.7710 -6.8575 -6.8575 -4.3294 -4.3294 -2.5764 -2.5764 -2.2537 -2.2537 0.3947 0.3947 0.8059 0.8059 3.0623 3.0623 5.1786 5.1786 6.3585 6.3585 9.0546 9.0546 9.2378 9.2378 14.0034 14.0034 14.4135 14.4135 15.3248 15.3248 16.1984 16.1984 18.0771 18.0771 19.5861 19.5861 20.4587 20.4587 20.8539 20.8539 21.2015 21.2015 k = 0.5000 0.2017-0.4657 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3469 -31.3469 -29.0037 -29.0037 -28.7268 -28.7268 -28.7074 -28.7074 -26.5663 -26.5663 -26.5506 -26.5506 -14.3949 -14.3949 -14.3025 -14.3025 -8.7754 -8.7754 -6.8730 -6.8730 -4.3589 -4.3589 -2.5409 -2.5409 -2.2184 -2.2184 0.4194 0.4194 0.8091 0.8091 3.0908 3.0908 5.1328 5.1328 6.3165 6.3165 9.0678 9.0678 9.2282 9.2282 13.9666 13.9666 14.4089 14.4089 15.3339 15.3339 16.2335 16.2335 18.1274 18.1274 19.6281 19.6281 20.4701 20.4701 20.8626 20.8626 21.1502 21.1503 k = 0.5000 0.2093-0.4748 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3464 -31.3464 -29.0036 -29.0036 -28.7267 -28.7267 -28.7071 -28.7071 -26.5662 -26.5662 -26.5516 -26.5516 -14.3946 -14.3946 -14.3054 -14.3054 -8.7799 -8.7799 -6.8882 -6.8882 -4.3890 -4.3890 -2.5028 -2.5028 -2.1834 -2.1834 0.4441 0.4441 0.8120 0.8120 3.1205 3.1205 5.0881 5.0881 6.2702 6.2702 9.0795 9.0795 9.2188 9.2188 13.9268 13.9268 14.4068 14.4068 15.3478 15.3478 16.2666 16.2666 18.1779 18.1779 19.6694 19.6694 20.4763 20.4763 20.8736 20.8736 21.1013 21.1013 k = 0.5000 0.2169-0.4839 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3460 -31.3460 -29.0034 -29.0034 -28.7265 -28.7265 -28.7069 -28.7069 -26.5661 -26.5661 -26.5526 -26.5526 -14.3942 -14.3942 -14.3084 -14.3084 -8.7846 -8.7846 -6.9033 -6.9033 -4.4194 -4.4194 -2.4626 -2.4626 -2.1489 -2.1489 0.4687 0.4687 0.8148 0.8148 3.1514 3.1514 5.0446 5.0446 6.2197 6.2197 9.0898 9.0898 9.2096 9.2096 13.8842 13.8842 14.4070 14.4070 15.3668 15.3668 16.2978 16.2978 18.2282 18.2282 19.7095 19.7095 20.4747 20.4747 20.8865 20.8865 21.0576 21.0576 k = 0.5000 0.2245-0.4930 ( 2592 PWs) bands (ev): -62.0446 -62.0446 -31.3456 -31.3456 -29.0033 -29.0033 -28.7264 -28.7264 -28.7066 -28.7066 -26.5661 -26.5661 -26.5536 -26.5536 -14.3937 -14.3937 -14.3116 -14.3116 -8.7894 -8.7894 -6.9181 -6.9181 -4.4500 -4.4500 -2.4206 -2.4206 -2.1150 -2.1150 0.4930 0.4930 0.8173 0.8173 3.1836 3.1836 5.0023 5.0023 6.1652 6.1652 9.0986 9.0986 9.2008 9.2008 13.8395 13.8395 14.4093 14.4093 15.3907 15.3907 16.3269 16.3269 18.2780 18.2780 19.7478 19.7478 20.4625 20.4625 20.9011 20.9011 21.0219 21.0219 k = 0.5000 0.2321-0.5021 ( 2594 PWs) bands (ev): -62.0445 -62.0445 -31.3452 -31.3452 -29.0031 -29.0031 -28.7262 -28.7262 -28.7062 -28.7062 -26.5661 -26.5661 -26.5546 -26.5546 -14.3929 -14.3929 -14.3150 -14.3150 -8.7943 -8.7943 -6.9325 -6.9325 -4.4804 -4.4804 -2.3771 -2.3771 -2.0817 -2.0817 0.5170 0.5170 0.8197 0.8197 3.2171 3.2171 4.9613 4.9613 6.1070 6.1070 9.1061 9.1061 9.1923 9.1923 13.7929 13.7929 14.4133 14.4133 15.4197 15.4197 16.3540 16.3540 18.3270 18.3270 19.7832 19.7832 20.4382 20.4382 20.9173 20.9173 20.9968 20.9968 k = 0.5000 0.2397-0.5112 ( 2594 PWs) bands (ev): -62.0445 -62.0445 -31.3449 -31.3449 -29.0029 -29.0029 -28.7260 -28.7260 -28.7059 -28.7059 -26.5661 -26.5661 -26.5556 -26.5556 -14.3921 -14.3921 -14.3183 -14.3183 -8.7992 -8.7992 -6.9466 -6.9466 -4.5104 -4.5104 -2.3325 -2.3325 -2.0491 -2.0491 0.5408 0.5408 0.8219 0.8219 3.2520 3.2520 4.9217 4.9217 6.0453 6.0453 9.1123 9.1123 9.1840 9.1840 13.7452 13.7452 14.4189 14.4189 15.4536 15.4536 16.3791 16.3791 18.3748 18.3748 19.8141 19.8141 20.4023 20.4023 20.9348 20.9348 20.9831 20.9831 k = 0.5000 0.2473-0.5203 ( 2598 PWs) bands (ev): -62.0445 -62.0445 -31.3447 -31.3447 -29.0026 -29.0026 -28.7258 -28.7258 -28.7055 -28.7055 -26.5662 -26.5662 -26.5565 -26.5565 -14.3911 -14.3911 -14.3219 -14.3219 -8.8042 -8.8042 -6.9604 -6.9604 -4.5399 -4.5399 -2.2871 -2.2871 -2.0173 -2.0173 0.5640 0.5640 0.8238 0.8238 3.2881 3.2881 4.8835 4.8835 5.9803 5.9803 9.1172 9.1172 9.1762 9.1762 13.6967 13.6967 14.4257 14.4257 15.4922 15.4922 16.4023 16.4023 18.4212 18.4212 19.8379 19.8379 20.3583 20.3583 20.9532 20.9532 20.9799 20.9799 k = 0.6507 0.3684 0.1511 ( 2598 PWs) bands (ev): -62.0445 -62.0445 -31.3447 -31.3447 -29.0026 -29.0026 -28.7258 -28.7258 -28.7055 -28.7055 -26.5662 -26.5662 -26.5565 -26.5565 -14.3911 -14.3911 -14.3219 -14.3219 -8.8042 -8.8042 -6.9604 -6.9604 -4.5399 -4.5399 -2.2871 -2.2871 -2.0173 -2.0173 0.5640 0.5640 0.8238 0.8238 3.2881 3.2881 4.8835 4.8835 5.9803 5.9803 9.1172 9.1172 9.1762 9.1762 13.6967 13.6967 14.4257 14.4257 15.4922 15.4922 16.4023 16.4023 18.4212 18.4212 19.8379 19.8379 20.3583 20.3583 20.9532 20.9532 20.9799 20.9799 k = 0.6435 0.3699 0.1599 ( 2604 PWs) bands (ev): -62.0445 -62.0445 -31.3445 -31.3445 -29.0024 -29.0024 -28.7257 -28.7257 -28.7052 -28.7052 -26.5663 -26.5663 -26.5574 -26.5574 -14.3901 -14.3901 -14.3253 -14.3253 -8.8091 -8.8091 -6.9732 -6.9732 -4.5677 -4.5677 -2.2429 -2.2429 -1.9875 -1.9875 0.5860 0.5860 0.8255 0.8255 3.3244 3.3244 4.8481 4.8481 5.9148 5.9148 9.1208 9.1208 9.1689 9.1689 13.6496 13.6496 14.4333 14.4333 15.5338 15.5338 16.4230 16.4230 18.4642 18.4642 19.8502 19.8502 20.3140 20.3140 20.9711 20.9711 20.9849 20.9849 k = 0.6363 0.3715 0.1687 ( 2592 PWs) bands (ev): -62.0445 -62.0445 -31.3442 -31.3442 -29.0021 -29.0021 -28.7254 -28.7254 -28.7048 -28.7048 -26.5663 -26.5663 -26.5582 -26.5582 -14.3889 -14.3889 -14.3287 -14.3287 -8.8138 -8.8138 -6.9856 -6.9856 -4.5947 -4.5947 -2.1984 -2.1984 -1.9585 -1.9585 0.6075 0.6075 0.8271 0.8271 3.3620 3.3620 4.8142 4.8142 5.8468 5.8468 9.1235 9.1235 9.1621 9.1621 13.6027 13.6027 14.4416 14.4416 15.5794 15.5794 16.4419 16.4419 18.5054 18.5054 19.8468 19.8468 20.2754 20.2754 20.9879 20.9879 20.9968 20.9968 k = 0.6291 0.3731 0.1775 ( 2590 PWs) bands (ev): -62.0445 -62.0445 -31.3440 -31.3440 -29.0019 -29.0019 -28.7252 -28.7252 -28.7043 -28.7043 -26.5664 -26.5664 -26.5589 -26.5589 -14.3877 -14.3877 -14.3322 -14.3322 -8.8185 -8.8185 -6.9976 -6.9976 -4.6209 -4.6209 -2.1541 -2.1541 -1.9306 -1.9306 0.6283 0.6283 0.8284 0.8284 3.4010 3.4010 4.7818 4.7818 5.7766 5.7766 9.1251 9.1251 9.1555 9.1555 13.5563 13.5563 14.4506 14.4506 15.6289 15.6289 16.4593 16.4593 18.5444 18.5444 19.8223 19.8223 20.2495 20.2495 21.0036 21.0036 21.0133 21.0133 k = 0.6220 0.3747 0.1863 ( 2586 PWs) bands (ev): -62.0445 -62.0445 -31.3439 -31.3439 -29.0016 -29.0016 -28.7250 -28.7250 -28.7039 -28.7039 -26.5665 -26.5665 -26.5596 -26.5596 -14.3865 -14.3865 -14.3356 -14.3356 -8.8231 -8.8231 -7.0090 -7.0090 -4.6460 -4.6460 -2.1102 -2.1102 -1.9037 -1.9037 0.6485 0.6485 0.8296 0.8296 3.4414 3.4414 4.7510 4.7510 5.7043 5.7043 9.1260 9.1260 9.1493 9.1493 13.5107 13.5107 14.4600 14.4600 15.6818 15.6818 16.4751 16.4751 18.5810 18.5810 19.7753 19.7753 20.2394 20.2394 21.0196 21.0196 21.0309 21.0309 k = 0.6148 0.3763 0.1951 ( 2586 PWs) bands (ev): -62.0445 -62.0445 -31.3438 -31.3438 -29.0013 -29.0013 -28.7248 -28.7248 -28.7035 -28.7035 -26.5667 -26.5667 -26.5604 -26.5604 -14.3852 -14.3852 -14.3390 -14.3390 -8.8277 -8.8277 -7.0200 -7.0200 -4.6701 -4.6701 -2.0670 -2.0670 -1.8778 -1.8778 0.6679 0.6679 0.8306 0.8306 3.4833 3.4833 4.7217 4.7217 5.6303 5.6303 9.1260 9.1260 9.1435 9.1435 13.4664 13.4664 14.4697 14.4697 15.7381 15.7381 16.4893 16.4893 18.6151 18.6151 19.7094 19.7094 20.2427 20.2427 21.0361 21.0361 21.0473 21.0473 k = 0.6076 0.3779 0.2039 ( 2588 PWs) bands (ev): -62.0445 -62.0445 -31.3437 -31.3437 -29.0011 -29.0011 -28.7246 -28.7246 -28.7031 -28.7031 -26.5669 -26.5669 -26.5610 -26.5610 -14.3840 -14.3840 -14.3423 -14.3423 -8.8321 -8.8321 -7.0305 -7.0305 -4.6931 -4.6931 -2.0247 -2.0247 -1.8532 -1.8532 0.6865 0.6865 0.8314 0.8314 3.5267 3.5267 4.6940 4.6940 5.5549 5.5549 9.1254 9.1254 9.1380 9.1380 13.4235 13.4235 14.4795 14.4795 15.7972 15.7972 16.5022 16.5022 18.6466 18.6466 19.6299 19.6299 20.2548 20.2548 21.0520 21.0520 21.0619 21.0619 k = 0.6004 0.3794 0.2126 ( 2588 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0008 -29.0008 -28.7244 -28.7244 -28.7027 -28.7027 -26.5671 -26.5671 -26.5616 -26.5616 -14.3827 -14.3827 -14.3455 -14.3455 -8.8364 -8.8364 -7.0403 -7.0403 -4.7148 -4.7148 -1.9836 -1.9836 -1.8299 -1.8299 0.7042 0.7042 0.8320 0.8320 3.5716 3.5716 4.6680 4.6680 5.4782 5.4782 9.1242 9.1242 9.1329 9.1329 13.3823 13.3823 14.4894 14.4894 15.8590 15.8590 16.5138 16.5138 18.6755 18.6755 19.5418 19.5418 20.2719 20.2719 21.0657 21.0657 21.0761 21.0761 k = 0.5933 0.3810 0.2214 ( 2580 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0005 -29.0005 -28.7241 -28.7241 -28.7022 -28.7022 -26.5672 -26.5672 -26.5621 -26.5621 -14.3814 -14.3814 -14.3486 -14.3486 -8.8405 -8.8405 -7.0497 -7.0497 -4.7353 -4.7353 -1.9440 -1.9440 -1.8078 -1.8078 0.7209 0.7209 0.8325 0.8325 3.6181 3.6181 4.6438 4.6438 5.4006 5.4006 9.1226 9.1226 9.1281 9.1281 13.3431 13.3431 14.4992 14.4992 15.9229 15.9229 16.5242 16.5242 18.7017 18.7017 19.4484 19.4484 20.2914 20.2914 21.0770 21.0770 21.0912 21.0912 k = 0.5861 0.3826 0.2302 ( 2584 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0003 -29.0003 -28.7240 -28.7240 -28.7018 -28.7018 -26.5674 -26.5674 -26.5627 -26.5627 -14.3802 -14.3802 -14.3516 -14.3516 -8.8444 -8.8444 -7.0584 -7.0584 -4.7544 -4.7544 -1.9062 -1.9062 -1.7871 -1.7871 0.7367 0.7367 0.8329 0.8329 3.6662 3.6662 4.6212 4.6212 5.3223 5.3223 9.1205 9.1205 9.1237 9.1237 13.3060 13.3060 14.5087 14.5087 15.9884 15.9884 16.5333 16.5333 18.7253 18.7253 19.3522 19.3522 20.3117 20.3117 21.0875 21.0875 21.1063 21.1063 k = 0.5789 0.3842 0.2390 ( 2592 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0001 -29.0001 -28.7238 -28.7238 -28.7014 -28.7014 -26.5676 -26.5676 -26.5631 -26.5631 -14.3790 -14.3790 -14.3544 -14.3544 -8.8481 -8.8481 -7.0665 -7.0665 -4.7721 -4.7721 -1.8703 -1.8703 -1.7679 -1.7679 0.7514 0.7514 0.8331 0.8331 3.7160 3.7160 4.6003 4.6003 5.2436 5.2436 9.1182 9.1182 9.1196 9.1196 13.2713 13.2713 14.5179 14.5179 16.0551 16.0551 16.5414 16.5414 18.7463 18.7463 19.2549 19.2549 20.3317 20.3317 21.0986 21.0986 21.1208 21.1208 k = 0.5717 0.3858 0.2478 ( 2594 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9999 -28.9999 -28.7237 -28.7237 -28.7011 -28.7011 -26.5678 -26.5678 -26.5636 -26.5636 -14.3779 -14.3779 -14.3570 -14.3570 -8.8516 -8.8516 -7.0739 -7.0739 -4.7884 -4.7884 -1.8366 -1.8366 -1.7501 -1.7501 0.7650 0.7650 0.8331 0.8331 3.7674 3.7674 4.5813 4.5813 5.1647 5.1647 9.1157 9.1157 9.1160 9.1160 13.2392 13.2392 14.5266 14.5266 16.1223 16.1223 16.5485 16.5485 18.7649 18.7649 19.1581 19.1581 20.3508 20.3508 21.1104 21.1104 21.1343 21.1343 k = 0.5646 0.3874 0.2566 ( 2592 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9997 -28.9997 -28.7235 -28.7235 -28.7007 -28.7007 -26.5680 -26.5680 -26.5639 -26.5639 -14.3769 -14.3769 -14.3594 -14.3594 -8.8548 -8.8548 -7.0807 -7.0807 -4.8033 -4.8033 -1.8053 -1.8053 -1.7339 -1.7339 0.7775 0.7775 0.8332 0.8332 3.8204 3.8204 4.5640 4.5640 5.0859 5.0859 9.1126 9.1126 9.1131 9.1131 13.2097 13.2097 14.5348 14.5348 16.1891 16.1891 16.5546 16.5546 18.7811 18.7811 19.0632 19.0632 20.3687 20.3687 21.1228 21.1228 21.1467 21.1467 k = 0.5574 0.3890 0.2654 ( 2590 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9995 -28.9995 -28.7234 -28.7234 -28.7004 -28.7004 -26.5682 -26.5682 -26.5642 -26.5642 -14.3760 -14.3760 -14.3615 -14.3615 -8.8577 -8.8577 -7.0868 -7.0868 -4.8166 -4.8166 -1.7768 -1.7768 -1.7192 -1.7192 0.7888 0.7888 0.8331 0.8331 3.8751 3.8751 4.5484 4.5484 5.0075 5.0075 9.1096 9.1096 9.1106 9.1106 13.1830 13.1830 14.5424 14.5424 16.2548 16.2548 16.5600 16.5600 18.7951 18.7951 18.9715 18.9715 20.3850 20.3850 21.1353 21.1353 21.1579 21.1579 k = 0.5502 0.3905 0.2742 ( 2590 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9993 -28.9993 -28.7232 -28.7232 -28.7001 -28.7001 -26.5683 -26.5683 -26.5645 -26.5645 -14.3752 -14.3752 -14.3634 -14.3634 -8.8603 -8.8603 -7.0923 -7.0923 -4.8285 -4.8285 -1.7510 -1.7510 -1.7061 -1.7061 0.7988 0.7988 0.8330 0.8330 3.9314 3.9314 4.5347 4.5347 4.9297 4.9297 9.1070 9.1070 9.1081 9.1081 13.1592 13.1592 14.5493 14.5493 16.3182 16.3182 16.5645 16.5645 18.8071 18.8071 18.8845 18.8845 20.3996 20.3996 21.1476 21.1476 21.1678 21.1678 k = 0.5430 0.3921 0.2830 ( 2590 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9992 -28.9992 -28.7231 -28.7231 -28.6998 -28.6998 -26.5685 -26.5685 -26.5648 -26.5648 -14.3746 -14.3746 -14.3649 -14.3649 -8.8627 -8.8627 -7.0970 -7.0970 -4.8388 -4.8388 -1.7284 -1.7284 -1.6946 -1.6946 0.8076 0.8076 0.8329 0.8329 3.9892 3.9892 4.5228 4.5228 4.8529 4.8529 9.1048 9.1048 9.1058 9.1058 13.1383 13.1383 14.5554 14.5554 16.3781 16.3781 16.5684 16.5684 18.8036 18.8036 18.8172 18.8172 20.4123 20.4123 21.1592 21.1592 21.1765 21.1765 k = 0.5359 0.3937 0.2918 ( 2592 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9990 -28.9990 -28.7231 -28.7231 -28.6996 -28.6996 -26.5687 -26.5687 -26.5650 -26.5650 -14.3742 -14.3742 -14.3662 -14.3662 -8.8646 -8.8646 -7.1010 -7.1010 -4.8475 -4.8475 -1.7090 -1.7090 -1.6848 -1.6848 0.8151 0.8151 0.8327 0.8327 4.0482 4.0482 4.5127 4.5127 4.7774 4.7774 9.1028 9.1028 9.1037 9.1037 13.1206 13.1206 14.5607 14.5607 16.4329 16.4329 16.5717 16.5717 18.7306 18.7306 18.8254 18.8254 20.4232 20.4232 21.1696 21.1696 21.1840 21.1840 k = 0.5287 0.3953 0.3005 ( 2594 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9989 -28.9989 -28.7230 -28.7230 -28.6994 -28.6994 -26.5688 -26.5688 -26.5651 -26.5651 -14.3740 -14.3740 -14.3671 -14.3671 -8.8663 -8.8663 -7.1043 -7.1043 -4.8547 -4.8547 -1.6930 -1.6930 -1.6766 -1.6766 0.8212 0.8212 0.8326 0.8326 4.1080 4.1080 4.5043 4.5043 4.7040 4.7040 9.1013 9.1013 9.1018 9.1018 13.1060 13.1060 14.5651 14.5651 16.4809 16.4809 16.5746 16.5746 18.6672 18.6672 18.8320 18.8320 20.4321 20.4321 21.1785 21.1785 21.1903 21.1903 k = 0.5215 0.3969 0.3093 ( 2592 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9989 -28.9989 -28.7229 -28.7229 -28.6993 -28.6993 -26.5689 -26.5689 -26.5652 -26.5652 -14.3740 -14.3740 -14.3676 -14.3676 -8.8675 -8.8675 -7.1069 -7.1069 -4.8603 -4.8603 -1.6808 -1.6808 -1.6700 -1.6700 0.8260 0.8260 0.8325 0.8325 4.1679 4.1679 4.4978 4.4978 4.6335 4.6335 9.1000 9.1000 9.1004 9.1004 13.0946 13.0946 14.5685 14.5685 16.5203 16.5203 16.5773 16.5773 18.6153 18.6153 18.8370 18.8370 20.4391 20.4391 21.1854 21.1854 21.1956 21.1956 k = 0.5143 0.3985 0.3181 ( 2590 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6992 -28.6992 -26.5689 -26.5689 -26.5653 -26.5653 -14.3740 -14.3740 -14.3679 -14.3679 -8.8684 -8.8684 -7.1087 -7.1087 -4.8643 -4.8643 -1.6724 -1.6724 -1.6647 -1.6647 0.8294 0.8294 0.8324 0.8324 4.2255 4.2255 4.4928 4.4928 4.5685 4.5685 9.0992 9.0992 9.0993 9.0993 13.0864 13.0864 14.5710 14.5710 16.5485 16.5485 16.5806 16.5806 18.5766 18.5766 18.8405 18.8405 20.4440 20.4440 21.1902 21.1902 21.1997 21.1997 k = 0.5072 0.4000 0.3269 ( 2596 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5690 -26.5690 -26.5653 -26.5653 -14.3741 -14.3741 -14.3681 -14.3681 -8.8689 -8.8689 -7.1099 -7.1099 -4.8667 -4.8667 -1.6678 -1.6678 -1.6611 -1.6611 0.8313 0.8313 0.8325 0.8325 4.2746 4.2746 4.4881 4.4881 4.5165 4.5165 9.0986 9.0986 9.0987 9.0987 13.0815 13.0815 14.5725 14.5725 16.5633 16.5633 16.5854 16.5854 18.5527 18.5527 18.8426 18.8426 20.4470 20.4470 21.1930 21.1930 21.2023 21.2023 k = 0.5000 0.4016 0.3357 ( 2604 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5690 -26.5690 -26.5653 -26.5653 -14.3742 -14.3742 -14.3681 -14.3681 -8.8691 -8.8691 -7.1103 -7.1103 -4.8675 -4.8675 -1.6664 -1.6664 -1.6598 -1.6598 0.8318 0.8318 0.8326 0.8326 4.2970 4.2970 4.4811 4.4811 4.4987 4.4987 9.0984 9.0984 9.0985 9.0985 13.0799 13.0799 14.5729 14.5729 16.5670 16.5670 16.5883 16.5883 18.5446 18.5446 18.8432 18.8432 20.4480 20.4480 21.1938 21.1938 21.2032 21.2032 k = 0.5000 0.4016 0.3357 ( 2604 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5690 -26.5690 -26.5653 -26.5653 -14.3742 -14.3742 -14.3681 -14.3681 -8.8691 -8.8691 -7.1103 -7.1103 -4.8675 -4.8675 -1.6664 -1.6664 -1.6598 -1.6598 0.8318 0.8318 0.8326 0.8326 4.2970 4.2970 4.4811 4.4811 4.4987 4.4987 9.0984 9.0984 9.0985 9.0985 13.0799 13.0799 14.5729 14.5729 16.5670 16.5670 16.5883 16.5883 18.5446 18.5446 18.8432 18.8432 20.4480 20.4480 21.1938 21.1938 21.2032 21.2032 k = 0.4918 0.3950 0.3302 ( 2592 PWs) bands (ev): -62.0445 -62.0445 -31.3437 -31.3437 -28.9987 -28.9987 -28.7228 -28.7228 -28.6991 -28.6991 -26.5690 -26.5690 -26.5653 -26.5653 -14.3742 -14.3742 -14.3681 -14.3681 -8.8691 -8.8691 -7.1099 -7.1099 -4.8676 -4.8676 -1.6663 -1.6663 -1.6597 -1.6597 0.8314 0.8314 0.8323 0.8323 4.2967 4.2967 4.4811 4.4811 4.4986 4.4986 9.0983 9.0983 9.0983 9.0983 13.0800 13.0800 14.5737 14.5737 16.5671 16.5671 16.5883 16.5883 18.5276 18.5276 18.8598 18.8598 20.4293 20.4293 21.1940 21.1940 21.2034 21.2034 k = 0.4836 0.3885 0.3247 ( 2586 PWs) bands (ev): -62.0445 -62.0445 -31.3438 -31.3438 -28.9987 -28.9987 -28.7228 -28.7228 -28.6991 -28.6991 -26.5688 -26.5688 -26.5652 -26.5652 -14.3741 -14.3741 -14.3681 -14.3681 -8.8690 -8.8690 -7.1088 -7.1088 -4.8680 -4.8680 -1.6660 -1.6660 -1.6594 -1.6594 0.8301 0.8301 0.8309 0.8309 4.2958 4.2958 4.4810 4.4810 4.4986 4.4986 9.0976 9.0976 9.0977 9.0977 13.0805 13.0805 14.5759 14.5759 16.5672 16.5672 16.5884 16.5884 18.4851 18.4851 18.9004 18.9004 20.3794 20.3794 21.1944 21.1944 21.2037 21.2037 k = 0.4754 0.3819 0.3192 ( 2583 PWs) bands (ev): -62.0445 -62.0445 -31.3440 -31.3440 -28.9987 -28.9987 -28.7229 -28.7229 -28.6991 -28.6991 -26.5686 -26.5686 -26.5650 -26.5650 -14.3741 -14.3741 -14.3680 -14.3680 -8.8688 -8.8688 -7.1068 -7.1068 -4.8686 -4.8686 -1.6655 -1.6655 -1.6589 -1.6589 0.8279 0.8279 0.8287 0.8287 4.2943 4.2943 4.4809 4.4809 4.4985 4.4985 9.0966 9.0966 9.0967 9.0967 13.0812 13.0812 14.5793 14.5793 16.5674 16.5674 16.5886 16.5886 18.4301 18.4301 18.9511 18.9511 20.3109 20.3109 21.1950 21.1950 21.2043 21.2043 k = 0.4672 0.3753 0.3137 ( 2583 PWs) bands (ev): -62.0445 -62.0445 -31.3443 -31.3443 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5684 -26.5684 -26.5647 -26.5647 -14.3740 -14.3740 -14.3680 -14.3680 -8.8685 -8.8685 -7.1042 -7.1042 -4.8694 -4.8694 -1.6648 -1.6648 -1.6582 -1.6582 0.8248 0.8248 0.8256 0.8256 4.2922 4.2922 4.4808 4.4808 4.4983 4.4983 9.0952 9.0952 9.0952 9.0952 13.0822 13.0822 14.5842 14.5842 16.5676 16.5676 16.5889 16.5889 18.3699 18.3699 19.0023 19.0023 20.2360 20.2360 21.1958 21.1958 21.2051 21.2051 k = 0.4590 0.3687 0.3082 ( 2574 PWs) bands (ev): -62.0445 -62.0445 -31.3446 -31.3446 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5680 -26.5680 -26.5643 -26.5643 -14.3739 -14.3739 -14.3679 -14.3679 -8.8681 -8.8681 -7.1008 -7.1008 -4.8705 -4.8705 -1.6639 -1.6639 -1.6573 -1.6573 0.8208 0.8208 0.8217 0.8217 4.2894 4.2894 4.4806 4.4806 4.4982 4.4982 9.0934 9.0934 9.0934 9.0934 13.0835 13.0835 14.5905 14.5905 16.5680 16.5680 16.5893 16.5893 18.3084 18.3084 19.0474 19.0474 20.1645 20.1645 21.1969 21.1969 21.2062 21.2062 k = 0.4508 0.3621 0.3027 ( 2574 PWs) bands (ev): -62.0445 -62.0445 -31.3451 -31.3451 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5676 -26.5676 -26.5639 -26.5639 -14.3738 -14.3738 -14.3678 -14.3678 -8.8677 -8.8677 -7.0966 -7.0966 -4.8719 -4.8719 -1.6629 -1.6629 -1.6562 -1.6562 0.8160 0.8160 0.8168 0.8168 4.2861 4.2861 4.4804 4.4804 4.4980 4.4980 9.0910 9.0910 9.0911 9.0911 13.0851 13.0851 14.5981 14.5981 16.5684 16.5684 16.5897 16.5897 18.2473 18.2473 19.0800 19.0800 20.1047 20.1047 21.1982 21.1982 21.2076 21.2076 k = 0.4426 0.3555 0.2972 ( 2574 PWs) bands (ev): -62.0445 -62.0445 -31.3456 -31.3456 -28.9988 -28.9988 -28.7230 -28.7230 -28.6992 -28.6992 -26.5670 -26.5670 -26.5634 -26.5634 -14.3737 -14.3737 -14.3677 -14.3677 -8.8672 -8.8672 -7.0917 -7.0917 -4.8735 -4.8735 -1.6616 -1.6616 -1.6550 -1.6550 0.8103 0.8103 0.8111 0.8111 4.2823 4.2823 4.4803 4.4803 4.4978 4.4978 9.0882 9.0882 9.0883 9.0883 13.0870 13.0870 14.6070 14.6070 16.5689 16.5689 16.5902 16.5902 18.1876 18.1876 19.0940 19.0940 20.0640 20.0640 21.1997 21.1997 21.2091 21.2091 k = 0.4344 0.3490 0.2917 ( 2574 PWs) bands (ev): -62.0445 -62.0445 -31.3462 -31.3462 -28.9989 -28.9989 -28.7231 -28.7231 -28.6992 -28.6992 -26.5665 -26.5665 -26.5629 -26.5629 -14.3736 -14.3736 -14.3676 -14.3676 -8.8667 -8.8667 -7.0861 -7.0861 -4.8755 -4.8755 -1.6602 -1.6602 -1.6535 -1.6535 0.8038 0.8038 0.8046 0.8046 4.2778 4.2778 4.4801 4.4801 4.4977 4.4977 9.0849 9.0849 9.0850 9.0850 13.0891 13.0891 14.6172 14.6172 16.5694 16.5694 16.5907 16.5907 18.1301 18.1301 19.0846 19.0846 20.0479 20.0479 21.2015 21.2015 21.2109 21.2109 k = 0.4262 0.3424 0.2862 ( 2583 PWs) bands (ev): -62.0445 -62.0445 -31.3468 -31.3468 -28.9990 -28.9990 -28.7231 -28.7231 -28.6993 -28.6993 -26.5658 -26.5658 -26.5622 -26.5622 -14.3735 -14.3735 -14.3675 -14.3675 -8.8660 -8.8660 -7.0797 -7.0797 -4.8777 -4.8777 -1.6585 -1.6585 -1.6519 -1.6519 0.7963 0.7963 0.7971 0.7971 4.2728 4.2728 4.4801 4.4801 4.4976 4.4976 9.0811 9.0811 9.0812 9.0812 13.0915 13.0915 14.6286 14.6286 16.5701 16.5701 16.5913 16.5913 18.0752 18.0752 19.0505 19.0505 20.0582 20.0582 21.2035 21.2035 21.2130 21.2130 k = 0.4180 0.3358 0.2807 ( 2595 PWs) bands (ev): -62.0445 -62.0445 -31.3476 -31.3476 -28.9990 -28.9990 -28.7232 -28.7232 -28.6994 -28.6994 -26.5652 -26.5652 -26.5616 -26.5616 -14.3734 -14.3734 -14.3673 -14.3673 -8.8654 -8.8654 -7.0725 -7.0725 -4.8802 -4.8802 -1.6567 -1.6567 -1.6500 -1.6500 0.7881 0.7881 0.7889 0.7889 4.2673 4.2673 4.4800 4.4800 4.4976 4.4976 9.0767 9.0767 9.0768 9.0768 13.0942 13.0942 14.6413 14.6413 16.5707 16.5707 16.5920 16.5920 18.0233 18.0233 18.9946 18.9946 20.0924 20.0924 21.2056 21.2056 21.2151 21.2151 k = 0.4098 0.3292 0.2752 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3484 -31.3484 -28.9991 -28.9991 -28.7233 -28.7233 -28.6994 -28.6994 -26.5644 -26.5644 -26.5609 -26.5609 -14.3732 -14.3732 -14.3672 -14.3672 -8.8647 -8.8647 -7.0646 -7.0646 -4.8831 -4.8831 -1.6547 -1.6547 -1.6480 -1.6480 0.7792 0.7792 0.7799 0.7799 4.2612 4.2612 4.4801 4.4801 4.4977 4.4977 9.0719 9.0719 9.0721 9.0721 13.0973 13.0973 14.6553 14.6553 16.5715 16.5715 16.5928 16.5928 17.9747 17.9747 18.9217 18.9217 20.1456 20.1456 21.2081 21.2081 21.2177 21.2177 k = 0.4016 0.3226 0.2697 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3492 -31.3492 -28.9992 -28.9992 -28.7234 -28.7234 -28.6995 -28.6995 -26.5636 -26.5636 -26.5600 -26.5600 -14.3730 -14.3730 -14.3670 -14.3670 -8.8638 -8.8638 -7.0559 -7.0559 -4.8863 -4.8863 -1.6524 -1.6524 -1.6458 -1.6458 0.7694 0.7694 0.7701 0.7701 4.2547 4.2547 4.4803 4.4803 4.4979 4.4979 9.0665 9.0665 9.0666 9.0666 13.1005 13.1005 14.6704 14.6704 16.5723 16.5723 16.5936 16.5936 17.9295 17.9295 18.8368 18.8368 20.2131 20.2131 21.2108 21.2108 21.2204 21.2204 k = 0.3934 0.3160 0.2642 ( 2577 PWs) bands (ev): -62.0445 -62.0445 -31.3502 -31.3502 -28.9992 -28.9992 -28.7235 -28.7235 -28.6995 -28.6995 -26.5626 -26.5626 -26.5591 -26.5591 -14.3728 -14.3728 -14.3668 -14.3668 -8.8630 -8.8630 -7.0465 -7.0465 -4.8898 -4.8898 -1.6500 -1.6500 -1.6433 -1.6433 0.7589 0.7589 0.7596 0.7596 4.2477 4.2477 4.4807 4.4807 4.4983 4.4983 9.0605 9.0605 9.0606 9.0606 13.1042 13.1042 14.6867 14.6867 16.5732 16.5732 16.5945 16.5945 17.8879 17.8879 18.7438 18.7438 20.2908 20.2908 21.2138 21.2138 21.2234 21.2234 k = 0.3852 0.3095 0.2587 ( 2577 PWs) bands (ev): -62.0445 -62.0445 -31.3512 -31.3512 -28.9993 -28.9993 -28.7236 -28.7236 -28.6996 -28.6996 -26.5617 -26.5617 -26.5581 -26.5581 -14.3726 -14.3726 -14.3666 -14.3666 -8.8620 -8.8620 -7.0363 -7.0363 -4.8938 -4.8938 -1.6474 -1.6474 -1.6407 -1.6407 0.7476 0.7476 0.7483 0.7483 4.2402 4.2402 4.4813 4.4813 4.4988 4.4988 9.0538 9.0538 9.0539 9.0539 13.1081 13.1081 14.7040 14.7040 16.5742 16.5742 16.5955 16.5955 17.8501 17.8501 18.6457 18.6457 20.3758 20.3758 21.2169 21.2169 21.2266 21.2266 k = 0.3770 0.3029 0.2532 ( 2583 PWs) bands (ev): -62.0445 -62.0445 -31.3522 -31.3522 -28.9994 -28.9994 -28.7237 -28.7237 -28.6997 -28.6997 -26.5607 -26.5607 -26.5572 -26.5572 -14.3725 -14.3725 -14.3665 -14.3665 -8.8610 -8.8610 -7.0254 -7.0254 -4.8981 -4.8981 -1.6446 -1.6446 -1.6379 -1.6379 0.7356 0.7356 0.7362 0.7362 4.2323 4.2323 4.4820 4.4820 4.4996 4.4996 9.0464 9.0464 9.0466 9.0466 13.1123 13.1123 14.7224 14.7224 16.5751 16.5751 16.5965 16.5965 17.8160 17.8160 18.5445 18.5445 20.4661 20.4661 21.2203 21.2203 21.2301 21.2301 k = 0.3689 0.2963 0.2477 ( 2577 PWs) bands (ev): -62.0445 -62.0445 -31.3534 -31.3534 -28.9994 -28.9994 -28.7238 -28.7238 -28.6997 -28.6997 -26.5595 -26.5595 -26.5560 -26.5560 -14.3723 -14.3723 -14.3662 -14.3662 -8.8599 -8.8599 -7.0138 -7.0138 -4.9029 -4.9029 -1.6416 -1.6416 -1.6349 -1.6349 0.7228 0.7228 0.7235 0.7235 4.2240 4.2240 4.4831 4.4831 4.5006 4.5006 9.0384 9.0384 9.0386 9.0386 13.1169 13.1169 14.7418 14.7418 16.5762 16.5762 16.5975 16.5975 17.7857 17.7857 18.4416 18.4416 20.5603 20.5603 21.2239 21.2239 21.2338 21.2338 k = 0.3607 0.2897 0.2421 ( 2571 PWs) bands (ev): -62.0445 -62.0445 -31.3545 -31.3545 -28.9995 -28.9995 -28.7239 -28.7239 -28.6998 -28.6998 -26.5583 -26.5583 -26.5549 -26.5549 -14.3720 -14.3720 -14.3660 -14.3660 -8.8588 -8.8588 -7.0014 -7.0014 -4.9080 -4.9080 -1.6385 -1.6385 -1.6318 -1.6318 0.7094 0.7094 0.7101 0.7101 4.2154 4.2154 4.4844 4.4844 4.5019 4.5019 9.0297 9.0297 9.0300 9.0300 13.1219 13.1219 14.7621 14.7621 16.5773 16.5773 16.5986 16.5986 17.7591 17.7591 18.3381 18.3381 20.6574 20.6574 21.2277 21.2277 21.2377 21.2377 k = 0.3525 0.2831 0.2366 ( 2571 PWs) bands (ev): -62.0445 -62.0445 -31.3558 -31.3558 -28.9996 -28.9996 -28.7240 -28.7240 -28.6999 -28.6999 -26.5571 -26.5571 -26.5537 -26.5537 -14.3718 -14.3718 -14.3658 -14.3658 -8.8577 -8.8577 -6.9883 -6.9883 -4.9137 -4.9137 -1.6351 -1.6351 -1.6284 -1.6284 0.6953 0.6953 0.6959 0.6959 4.2063 4.2063 4.4859 4.4859 4.5035 4.5035 9.0203 9.0203 9.0206 9.0206 13.1273 13.1273 14.7833 14.7833 16.5784 16.5784 16.5997 16.5997 17.7360 17.7360 18.2350 18.2350 20.7567 20.7567 21.2318 21.2318 21.2418 21.2418 k = 0.3443 0.2765 0.2311 ( 2565 PWs) bands (ev): -62.0446 -62.0446 -31.3570 -31.3570 -28.9997 -28.9997 -28.7241 -28.7241 -28.6999 -28.6999 -26.5559 -26.5559 -26.5525 -26.5525 -14.3716 -14.3716 -14.3656 -14.3656 -8.8565 -8.8565 -6.9745 -6.9745 -4.9198 -4.9198 -1.6316 -1.6316 -1.6249 -1.6249 0.6807 0.6807 0.6813 0.6813 4.1970 4.1970 4.4878 4.4878 4.5054 4.5054 9.0102 9.0102 9.0105 9.0105 13.1332 13.1332 14.8054 14.8054 16.5796 16.5796 16.6009 16.6009 17.7158 17.7158 18.1333 18.1333 20.8575 20.8575 21.2360 21.2360 21.2461 21.2461 k = 0.3361 0.2699 0.2256 ( 2559 PWs) bands (ev): -62.0446 -62.0446 -31.3583 -31.3583 -28.9998 -28.9998 -28.7242 -28.7242 -28.7000 -28.7000 -26.5546 -26.5546 -26.5512 -26.5512 -14.3713 -14.3713 -14.3654 -14.3654 -8.8553 -8.8553 -6.9599 -6.9599 -4.9264 -4.9264 -1.6280 -1.6280 -1.6212 -1.6212 0.6654 0.6654 0.6660 0.6660 4.1874 4.1874 4.4901 4.4901 4.5076 4.5076 8.9993 8.9993 8.9996 8.9996 13.1396 13.1396 14.8283 14.8283 16.5808 16.5808 16.6022 16.6022 17.6973 17.6973 18.0346 18.0346 20.9596 20.9596 21.2404 21.2404 21.2506 21.2506 k = 0.3279 0.2634 0.2201 ( 2559 PWs) bands (ev): -62.0446 -62.0446 -31.3597 -31.3597 -28.9999 -28.9999 -28.7244 -28.7244 -28.7001 -28.7001 -26.5532 -26.5532 -26.5499 -26.5499 -14.3711 -14.3711 -14.3651 -14.3651 -8.8541 -8.8541 -6.9446 -6.9446 -4.9335 -4.9335 -1.6241 -1.6241 -1.6173 -1.6173 0.6496 0.6496 0.6502 0.6502 4.1775 4.1775 4.4927 4.4927 4.5102 4.5102 8.9876 8.9876 8.9880 8.9880 13.1465 13.1465 14.8518 14.8518 16.5820 16.5820 16.6034 16.6034 17.6778 17.6778 17.9418 17.9418 21.0622 21.0622 21.2450 21.2450 21.2554 21.2554 k = 0.3197 0.2568 0.2146 ( 2553 PWs) bands (ev): -62.0446 -62.0446 -31.3611 -31.3611 -29.0000 -29.0000 -28.7245 -28.7245 -28.7002 -28.7002 -26.5518 -26.5518 -26.5485 -26.5485 -14.3708 -14.3708 -14.3648 -14.3648 -8.8528 -8.8528 -6.9286 -6.9286 -4.9411 -4.9411 -1.6200 -1.6200 -1.6133 -1.6133 0.6333 0.6333 0.6339 0.6339 4.1673 4.1673 4.4958 4.4958 4.5133 4.5133 8.9752 8.9752 8.9756 8.9756 13.1539 13.1539 14.8760 14.8760 16.5833 16.5833 16.6047 16.6047 17.6505 17.6505 17.8619 17.8619 21.1653 21.1653 21.2498 21.2498 21.2604 21.2604 k = 0.3115 0.2502 0.2091 ( 2559 PWs) bands (ev): -62.0446 -62.0446 -31.3625 -31.3625 -29.0001 -29.0001 -28.7246 -28.7246 -28.7003 -28.7003 -26.5504 -26.5504 -26.5471 -26.5471 -14.3706 -14.3706 -14.3646 -14.3646 -8.8516 -8.8516 -6.9120 -6.9120 -4.9493 -4.9493 -1.6159 -1.6159 -1.6091 -1.6091 0.6165 0.6165 0.6170 0.6170 4.1569 4.1569 4.4991 4.4991 4.5166 4.5166 8.9620 8.9620 8.9624 8.9624 13.1621 13.1621 14.9007 14.9007 16.5846 16.5846 16.6060 16.6060 17.6041 17.6041 17.8064 17.8064 21.2548 21.2548 21.2613 21.2613 21.2728 21.2728 k = 0.3033 0.2436 0.2036 ( 2553 PWs) bands (ev): -62.0446 -62.0446 -31.3639 -31.3639 -29.0002 -29.0002 -28.7247 -28.7247 -28.7004 -28.7004 -26.5490 -26.5490 -26.5457 -26.5457 -14.3703 -14.3703 -14.3644 -14.3644 -8.8503 -8.8503 -6.8945 -6.8945 -4.9580 -4.9580 -1.6115 -1.6115 -1.6047 -1.6047 0.5994 0.5994 0.5999 0.5999 4.1463 4.1463 4.5030 4.5030 4.5205 4.5205 8.9480 8.9480 8.9485 8.9485 13.1709 13.1709 14.9259 14.9259 16.5860 16.5860 16.6074 16.6074 17.5337 17.5337 17.7803 17.7803 21.2599 21.2599 21.2701 21.2701 21.3725 21.3725 k = 0.2951 0.2370 0.1981 ( 2547 PWs) bands (ev): -62.0446 -62.0446 -31.3653 -31.3653 -29.0003 -29.0003 -28.7249 -28.7249 -28.7005 -28.7005 -26.5475 -26.5475 -26.5442 -26.5442 -14.3700 -14.3700 -14.3641 -14.3641 -8.8490 -8.8490 -6.8764 -6.8764 -4.9673 -4.9673 -1.6070 -1.6070 -1.6002 -1.6002 0.5818 0.5818 0.5823 0.5823 4.1356 4.1356 4.5073 4.5073 4.5247 4.5247 8.9333 8.9333 8.9338 8.9338 13.1805 13.1805 14.9516 14.9516 16.5873 16.5873 16.6088 16.6088 17.4482 17.4482 17.7746 17.7746 21.2651 21.2651 21.2756 21.2756 21.4753 21.4753 k = 0.2869 0.2304 0.1926 ( 2547 PWs) bands (ev): -62.0446 -62.0446 -31.3668 -31.3668 -29.0004 -29.0004 -28.7250 -28.7250 -28.7006 -28.7006 -26.5460 -26.5460 -26.5428 -26.5428 -14.3698 -14.3698 -14.3638 -14.3638 -8.8476 -8.8476 -6.8577 -6.8577 -4.9772 -4.9772 -1.6023 -1.6023 -1.5955 -1.5955 0.5638 0.5638 0.5643 0.5643 4.1248 4.1248 4.5120 4.5120 4.5294 4.5294 8.9178 8.9178 8.9184 8.9184 13.1910 13.1910 14.9777 14.9777 16.5887 16.5887 16.6102 16.6102 17.3562 17.3562 17.7810 17.7810 21.2705 21.2705 21.2811 21.2811 21.5775 21.5775 k = 0.2787 0.2239 0.1871 ( 2547 PWs) bands (ev): -62.0446 -62.0446 -31.3683 -31.3683 -29.0005 -29.0005 -28.7251 -28.7251 -28.7007 -28.7007 -26.5445 -26.5445 -26.5413 -26.5413 -14.3695 -14.3695 -14.3636 -14.3636 -8.8463 -8.8463 -6.8384 -6.8384 -4.9877 -4.9877 -1.5976 -1.5976 -1.5907 -1.5907 0.5455 0.5455 0.5459 0.5459 4.1138 4.1138 4.5171 4.5171 4.5346 4.5346 8.9017 8.9017 8.9022 8.9022 13.2024 13.2024 15.0041 15.0041 16.5901 16.5901 16.6116 16.6116 17.2616 17.2616 17.7952 17.7952 21.2761 21.2761 21.2868 21.2868 21.6790 21.6790 k = 0.2705 0.2173 0.1816 ( 2547 PWs) bands (ev): -62.0446 -62.0446 -31.3699 -31.3699 -29.0006 -29.0006 -28.7253 -28.7253 -28.7009 -28.7009 -26.5430 -26.5430 -26.5398 -26.5398 -14.3693 -14.3693 -14.3634 -14.3634 -8.8449 -8.8449 -6.8185 -6.8185 -4.9989 -4.9989 -1.5926 -1.5926 -1.5858 -1.5858 0.5269 0.5269 0.5273 0.5273 4.1029 4.1029 4.5228 4.5228 4.5401 4.5401 8.8848 8.8848 8.8854 8.8854 13.2147 13.2147 15.0307 15.0307 16.5915 16.5915 16.6130 16.6130 17.1662 17.1662 17.8157 17.8157 21.2817 21.2817 21.2925 21.2925 21.7794 21.7794 k = 0.2623 0.2107 0.1761 ( 2547 PWs) bands (ev): -62.0446 -62.0446 -31.3714 -31.3714 -29.0007 -29.0007 -28.7254 -28.7254 -28.7010 -28.7010 -26.5414 -26.5414 -26.5383 -26.5383 -14.3690 -14.3690 -14.3631 -14.3631 -8.8436 -8.8436 -6.7979 -6.7979 -5.0106 -5.0106 -1.5876 -1.5876 -1.5807 -1.5807 0.5081 0.5081 0.5085 0.5085 4.0918 4.0918 4.5288 4.5288 4.5462 4.5462 8.8672 8.8672 8.8679 8.8679 13.2280 13.2280 15.0575 15.0575 16.5929 16.5929 16.6144 16.6144 17.0709 17.0709 17.8414 17.8414 21.2874 21.2874 21.2984 21.2984 21.8783 21.8783 k = 0.2541 0.2041 0.1706 ( 2553 PWs) bands (ev): -62.0446 -62.0446 -31.3730 -31.3730 -29.0009 -29.0009 -28.7256 -28.7256 -28.7011 -28.7011 -26.5399 -26.5399 -26.5368 -26.5368 -14.3688 -14.3688 -14.3629 -14.3629 -8.8423 -8.8423 -6.7768 -6.7768 -5.0230 -5.0230 -1.5825 -1.5825 -1.5756 -1.5756 0.4890 0.4890 0.4894 0.4894 4.0808 4.0808 4.5353 4.5353 4.5527 4.5527 8.8490 8.8490 8.8497 8.8497 13.2425 13.2425 15.0844 15.0844 16.5943 16.5943 16.6158 16.6158 16.9761 16.9761 17.8719 17.8719 21.2932 21.2932 21.3043 21.3043 21.9754 21.9754 k = 0.2459 0.1975 0.1651 ( 2577 PWs) bands (ev): -62.0447 -62.0447 -31.3745 -31.3745 -29.0010 -29.0010 -28.7257 -28.7257 -28.7013 -28.7013 -26.5385 -26.5385 -26.5354 -26.5354 -14.3687 -14.3687 -14.3627 -14.3627 -8.8409 -8.8409 -6.7552 -6.7552 -5.0361 -5.0361 -1.5772 -1.5772 -1.5703 -1.5703 0.4697 0.4697 0.4700 0.4700 4.0697 4.0697 4.5422 4.5422 4.5595 4.5595 8.8301 8.8301 8.8308 8.8308 13.2581 13.2581 15.1113 15.1113 16.5957 16.5957 16.6172 16.6172 16.8819 16.8819 17.9069 17.9069 21.2990 21.2990 21.3101 21.3101 22.0700 22.0700 k = 0.2377 0.1909 0.1596 ( 2574 PWs) bands (ev): -62.0447 -62.0447 -31.3761 -31.3761 -29.0011 -29.0011 -28.7259 -28.7259 -28.7014 -28.7014 -26.5369 -26.5369 -26.5338 -26.5338 -14.3684 -14.3684 -14.3625 -14.3625 -8.8396 -8.8396 -6.7329 -6.7329 -5.0497 -5.0497 -1.5719 -1.5719 -1.5649 -1.5649 0.4505 0.4505 0.4508 0.4508 4.0588 4.0588 4.5496 4.5496 4.5669 4.5669 8.8107 8.8107 8.8115 8.8115 13.2750 13.2750 15.1382 15.1382 16.5971 16.5971 16.6187 16.6187 16.7886 16.7886 17.9461 17.9461 21.3049 21.3049 21.3161 21.3161 22.1624 22.1624 k = 0.2295 0.1844 0.1541 ( 2574 PWs) bands (ev): -62.0447 -62.0447 -31.3776 -31.3776 -29.0012 -29.0012 -28.7260 -28.7260 -28.7015 -28.7015 -26.5354 -26.5354 -26.5323 -26.5323 -14.3682 -14.3682 -14.3623 -14.3623 -8.8382 -8.8382 -6.7102 -6.7102 -5.0639 -5.0639 -1.5664 -1.5664 -1.5595 -1.5595 0.4312 0.4312 0.4316 0.4316 4.0479 4.0479 4.5573 4.5573 4.5746 4.5746 8.7909 8.7909 8.7917 8.7917 13.2932 13.2932 15.1650 15.1650 16.5985 16.5985 16.6201 16.6201 16.6963 16.6963 17.9895 17.9895 21.3108 21.3108 21.3222 21.3222 22.2514 22.2514 k = 0.2213 0.1778 0.1486 ( 2571 PWs) bands (ev): -62.0447 -62.0447 -31.3791 -31.3791 -29.0013 -29.0013 -28.7262 -28.7262 -28.7016 -28.7016 -26.5339 -26.5339 -26.5309 -26.5309 -14.3680 -14.3680 -14.3621 -14.3621 -8.8369 -8.8369 -6.6868 -6.6868 -5.0788 -5.0788 -1.5609 -1.5609 -1.5540 -1.5540 0.4120 0.4120 0.4123 0.4123 4.0372 4.0372 4.5655 4.5655 4.5827 4.5827 8.7705 8.7705 8.7714 8.7714 13.3127 13.3127 15.1916 15.1916 16.5999 16.5999 16.6049 16.6049 16.6215 16.6215 18.0368 18.0368 21.3167 21.3167 21.3282 21.3282 22.3365 22.3365 k = 0.2131 0.1712 0.1431 ( 2577 PWs) bands (ev): -62.0447 -62.0447 -31.3806 -31.3806 -29.0015 -29.0015 -28.7263 -28.7263 -28.7018 -28.7018 -26.5324 -26.5324 -26.5294 -26.5294 -14.3677 -14.3677 -14.3619 -14.3619 -8.8356 -8.8356 -6.6631 -6.6631 -5.0943 -5.0943 -1.5554 -1.5554 -1.5484 -1.5484 0.3927 0.3927 0.3930 0.3930 4.0266 4.0266 4.5739 4.5739 4.5912 4.5912 8.7498 8.7498 8.7507 8.7507 13.3336 13.3336 15.2179 15.2179 16.5145 16.5145 16.6013 16.6013 16.6229 16.6229 18.0878 18.0878 21.3226 21.3226 21.3342 21.3342 22.4167 22.4167 k = 0.2049 0.1646 0.1376 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3821 -31.3821 -29.0016 -29.0016 -28.7265 -28.7265 -28.7019 -28.7019 -26.5309 -26.5309 -26.5280 -26.5280 -14.3676 -14.3676 -14.3617 -14.3617 -8.8343 -8.8343 -6.6390 -6.6390 -5.1104 -5.1104 -1.5498 -1.5498 -1.5428 -1.5428 0.3736 0.3736 0.3739 0.3739 4.0161 4.0161 4.5827 4.5827 4.5999 4.5999 8.7287 8.7287 8.7296 8.7296 13.3559 13.3559 15.2439 15.2439 16.4252 16.4252 16.6026 16.6026 16.6243 16.6243 18.1425 18.1425 21.3285 21.3285 21.3402 21.3402 22.4909 22.4909 k = 0.1967 0.1580 0.1321 ( 2586 PWs) bands (ev): -62.0447 -62.0447 -31.3835 -31.3835 -29.0017 -29.0017 -28.7266 -28.7266 -28.7020 -28.7020 -26.5294 -26.5294 -26.5265 -26.5265 -14.3673 -14.3673 -14.3615 -14.3615 -8.8330 -8.8330 -6.6144 -6.6144 -5.1271 -5.1271 -1.5442 -1.5442 -1.5371 -1.5371 0.3547 0.3547 0.3550 0.3550 4.0059 4.0059 4.5918 4.5918 4.6090 4.6090 8.7074 8.7074 8.7084 8.7084 13.3797 13.3797 15.2695 15.2695 16.3370 16.3370 16.6040 16.6040 16.6256 16.6256 18.2007 18.2007 21.3343 21.3343 21.3461 21.3461 22.5578 22.5578 k = 0.1885 0.1514 0.1266 ( 2586 PWs) bands (ev): -62.0447 -62.0447 -31.3850 -31.3850 -29.0018 -29.0018 -28.7267 -28.7267 -28.7021 -28.7021 -26.5280 -26.5280 -26.5251 -26.5251 -14.3671 -14.3671 -14.3613 -14.3613 -8.8318 -8.8318 -6.5895 -6.5895 -5.1443 -5.1443 -1.5385 -1.5385 -1.5314 -1.5314 0.3360 0.3360 0.3363 0.3363 3.9958 3.9958 4.6012 4.6012 4.6183 4.6183 8.6859 8.6859 8.6870 8.6870 13.4051 13.4051 15.2947 15.2947 16.2499 16.2499 16.6053 16.6053 16.6270 16.6270 18.2623 18.2623 21.3401 21.3401 21.3520 21.3520 22.6160 22.6160 k = 0.1803 0.1448 0.1211 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3864 -31.3864 -29.0019 -29.0019 -28.7268 -28.7268 -28.7022 -28.7022 -26.5266 -26.5266 -26.5237 -26.5237 -14.3670 -14.3670 -14.3611 -14.3611 -8.8306 -8.8306 -6.5643 -6.5643 -5.1621 -5.1621 -1.5329 -1.5329 -1.5258 -1.5258 0.3176 0.3176 0.3179 0.3179 3.9860 3.9860 4.6107 4.6107 4.6278 4.6278 8.6644 8.6644 8.6655 8.6655 13.4319 13.4319 15.3193 15.3193 16.1639 16.1639 16.6066 16.6066 16.6283 16.6283 18.3271 18.3271 21.3458 21.3458 21.3578 21.3578 22.6634 22.6634 k = 0.1721 0.1383 0.1156 ( 2592 PWs) bands (ev): -62.0448 -62.0448 -31.3877 -31.3877 -29.0020 -29.0020 -28.7269 -28.7269 -28.7024 -28.7024 -26.5252 -26.5252 -26.5223 -26.5223 -14.3668 -14.3668 -14.3609 -14.3609 -8.8294 -8.8294 -6.5389 -6.5389 -5.1804 -5.1804 -1.5273 -1.5273 -1.5202 -1.5202 0.2996 0.2996 0.2998 0.2998 3.9765 3.9765 4.6205 4.6205 4.6375 4.6375 8.6428 8.6428 8.6440 8.6440 13.4604 13.4604 15.3434 15.3434 16.0790 16.0790 16.6078 16.6078 16.6296 16.6296 18.3950 18.3950 21.3513 21.3513 21.3634 21.3634 22.6980 22.6980 k = 0.1639 0.1317 0.1101 ( 2592 PWs) bands (ev): -62.0448 -62.0448 -31.3891 -31.3891 -29.0021 -29.0021 -28.7271 -28.7271 -28.7025 -28.7025 -26.5239 -26.5239 -26.5210 -26.5210 -14.3666 -14.3666 -14.3608 -14.3608 -8.8282 -8.8282 -6.5131 -6.5131 -5.1992 -5.1992 -1.5217 -1.5217 -1.5146 -1.5146 0.2819 0.2819 0.2821 0.2821 3.9672 3.9672 4.6303 4.6303 4.6473 4.6473 8.6214 8.6214 8.6226 8.6226 13.4904 13.4904 15.3668 15.3668 15.9952 15.9952 16.6091 16.6091 16.6308 16.6308 18.4659 18.4659 21.3568 21.3568 21.3690 21.3690 22.7177 22.7177 k = 0.1557 0.1251 0.1046 ( 2592 PWs) bands (ev): -62.0448 -62.0448 -31.3904 -31.3904 -29.0022 -29.0022 -28.7272 -28.7272 -28.7026 -28.7026 -26.5226 -26.5226 -26.5198 -26.5198 -14.3665 -14.3665 -14.3606 -14.3606 -8.8271 -8.8271 -6.4873 -6.4873 -5.2184 -5.2184 -1.5162 -1.5162 -1.5091 -1.5091 0.2646 0.2646 0.2649 0.2649 3.9583 3.9583 4.6402 4.6402 4.6572 4.6572 8.6001 8.6001 8.6014 8.6014 13.5219 13.5219 15.3894 15.3894 15.9126 15.9126 16.6103 16.6103 16.6321 16.6321 18.5396 18.5396 21.3620 21.3620 21.3743 21.3743 22.7207 22.7207 k = 0.1475 0.1185 0.0991 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3916 -31.3916 -29.0023 -29.0023 -28.7273 -28.7273 -28.7026 -28.7026 -26.5213 -26.5213 -26.5185 -26.5185 -14.3663 -14.3663 -14.3605 -14.3605 -8.8260 -8.8260 -6.4612 -6.4612 -5.2379 -5.2379 -1.5108 -1.5108 -1.5036 -1.5036 0.2479 0.2479 0.2481 0.2481 3.9497 3.9497 4.6501 4.6501 4.6671 4.6671 8.5792 8.5792 8.5804 8.5804 13.5551 13.5551 15.4114 15.4114 15.8311 15.8311 16.6114 16.6114 16.6332 16.6332 18.6160 18.6160 21.3672 21.3672 21.3796 21.3796 22.7057 22.7057 k = 0.1393 0.1119 0.0936 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3928 -31.3928 -29.0024 -29.0024 -28.7274 -28.7274 -28.7027 -28.7027 -26.5201 -26.5201 -26.5173 -26.5173 -14.3662 -14.3662 -14.3603 -14.3603 -8.8249 -8.8249 -6.4352 -6.4352 -5.2579 -5.2579 -1.5055 -1.5055 -1.4983 -1.4983 0.2316 0.2316 0.2318 0.2318 3.9414 3.9414 4.6600 4.6600 4.6769 4.6769 8.5585 8.5585 8.5598 8.5598 13.5898 13.5898 15.4325 15.4325 15.7507 15.7507 16.6125 16.6125 16.6344 16.6344 18.6948 18.6948 21.3721 21.3721 21.3846 21.3846 22.6725 22.6725 k = 0.1311 0.1053 0.0881 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3940 -31.3940 -29.0025 -29.0025 -28.7275 -28.7275 -28.7028 -28.7028 -26.5189 -26.5189 -26.5162 -26.5162 -14.3660 -14.3660 -14.3602 -14.3602 -8.8239 -8.8239 -6.4093 -6.4093 -5.2781 -5.2781 -1.5003 -1.5003 -1.4931 -1.4931 0.2160 0.2160 0.2162 0.2162 3.9335 3.9335 4.6698 4.6698 4.6866 4.6866 8.5384 8.5384 8.5397 8.5397 13.6260 13.6260 15.4526 15.4526 15.6716 15.6716 16.6136 16.6136 16.6355 16.6355 18.7760 18.7760 21.3769 21.3769 21.3894 21.3894 22.6218 22.6218 k = 0.1230 0.0988 0.0826 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3951 -31.3951 -29.0026 -29.0026 -28.7276 -28.7276 -28.7029 -28.7029 -26.5178 -26.5178 -26.5151 -26.5151 -14.3659 -14.3659 -14.3601 -14.3601 -8.8230 -8.8230 -6.3834 -6.3834 -5.2984 -5.2984 -1.4953 -1.4953 -1.4880 -1.4880 0.2010 0.2010 0.2012 0.2012 3.9260 3.9260 4.6793 4.6793 4.6962 4.6962 8.5188 8.5188 8.5202 8.5202 13.6636 13.6636 15.4719 15.4719 15.5937 15.5937 16.6146 16.6146 16.6365 16.6365 18.8593 18.8593 21.3814 21.3814 21.3941 21.3941 22.5555 22.5555 k = 0.1148 0.0922 0.0770 ( 2577 PWs) bands (ev): -62.0448 -62.0448 -31.3961 -31.3961 -29.0026 -29.0026 -28.7277 -28.7277 -28.7030 -28.7030 -26.5168 -26.5168 -26.5141 -26.5141 -14.3658 -14.3658 -14.3599 -14.3599 -8.8220 -8.8220 -6.3577 -6.3577 -5.3189 -5.3189 -1.4904 -1.4904 -1.4832 -1.4832 0.1868 0.1868 0.1870 0.1870 3.9189 3.9189 4.6887 4.6887 4.7055 4.7055 8.5000 8.5000 8.5014 8.5014 13.7027 13.7027 15.4902 15.4902 15.5171 15.5171 16.6156 16.6156 16.6375 16.6375 18.9446 18.9446 21.3858 21.3858 21.3985 21.3985 22.4761 22.4761 k = 0.1066 0.0856 0.0715 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.3971 -31.3971 -29.0027 -29.0027 -28.7277 -28.7277 -28.7030 -28.7030 -26.5158 -26.5158 -26.5131 -26.5131 -14.3656 -14.3656 -14.3598 -14.3598 -8.8212 -8.8212 -6.3325 -6.3325 -5.3394 -5.3394 -1.4858 -1.4858 -1.4785 -1.4785 0.1732 0.1732 0.1734 0.1734 3.9122 3.9122 4.6978 4.6978 4.7146 4.7146 8.4819 8.4819 8.4833 8.4833 13.7432 13.7432 15.4418 15.4418 15.5074 15.5074 16.6165 16.6165 16.6384 16.6384 19.0313 19.0313 21.3898 21.3898 21.4026 21.4026 22.3861 22.3861 k = 0.0984 0.0790 0.0660 ( 2586 PWs) bands (ev): -62.0448 -62.0448 -31.3980 -31.3980 -29.0028 -29.0028 -28.7278 -28.7278 -28.7031 -28.7031 -26.5149 -26.5149 -26.5122 -26.5122 -14.3655 -14.3655 -14.3597 -14.3597 -8.8203 -8.8203 -6.3076 -6.3076 -5.3598 -5.3598 -1.4814 -1.4814 -1.4741 -1.4741 0.1604 0.1604 0.1606 0.1606 3.9060 3.9060 4.7065 4.7065 4.7233 4.7233 8.4646 8.4646 8.4661 8.4661 13.7849 13.7849 15.3680 15.3680 15.5234 15.5234 16.6174 16.6174 16.6393 16.6393 19.1194 19.1194 21.3937 21.3937 21.4065 21.4065 22.2883 22.2883 k = 0.0902 0.0724 0.0605 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.3989 -31.3989 -29.0028 -29.0028 -28.7279 -28.7279 -28.7032 -28.7032 -26.5140 -26.5140 -26.5113 -26.5113 -14.3654 -14.3654 -14.3596 -14.3596 -8.8196 -8.8196 -6.2834 -6.2834 -5.3800 -5.3800 -1.4772 -1.4772 -1.4699 -1.4699 0.1485 0.1485 0.1486 0.1486 3.9002 3.9002 4.7148 4.7148 4.7315 4.7315 8.4483 8.4483 8.4498 8.4498 13.8278 13.8278 15.2957 15.2957 15.5385 15.5385 16.6182 16.6182 16.6401 16.6401 19.2086 19.2086 21.3972 21.3972 21.4101 21.4101 22.1851 22.1851 k = 0.0820 0.0658 0.0550 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.3996 -31.3996 -29.0029 -29.0029 -28.7280 -28.7280 -28.7032 -28.7032 -26.5132 -26.5132 -26.5106 -26.5106 -14.3654 -14.3654 -14.3596 -14.3596 -8.8189 -8.8189 -6.2598 -6.2598 -5.3997 -5.3997 -1.4733 -1.4733 -1.4659 -1.4659 0.1374 0.1374 0.1376 0.1376 3.8949 3.8949 4.7226 4.7226 4.7393 4.7393 8.4331 8.4331 8.4346 8.4346 13.8716 13.8716 15.2250 15.2250 15.5524 15.5524 16.6189 16.6189 16.6409 16.6409 19.2981 19.2981 21.4005 21.4005 21.4135 21.4135 22.0788 22.0788 k = 0.0738 0.0593 0.0495 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4004 -31.4004 -29.0029 -29.0029 -28.7280 -28.7280 -28.7033 -28.7033 -26.5125 -26.5125 -26.5099 -26.5099 -14.3653 -14.3653 -14.3595 -14.3595 -8.8183 -8.8183 -6.2375 -6.2375 -5.4188 -5.4188 -1.4697 -1.4697 -1.4623 -1.4623 0.1273 0.1273 0.1275 0.1275 3.8900 3.8900 4.7299 4.7299 4.7466 4.7466 8.4191 8.4191 8.4206 8.4206 13.9162 13.9162 15.1562 15.1562 15.5650 15.5650 16.6196 16.6196 16.6416 16.6416 19.3876 19.3876 21.4035 21.4035 21.4165 21.4165 21.9711 21.9711 k = 0.0656 0.0527 0.0440 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4010 -31.4010 -29.0030 -29.0030 -28.7281 -28.7281 -28.7033 -28.7033 -26.5119 -26.5119 -26.5092 -26.5092 -14.3652 -14.3652 -14.3594 -14.3594 -8.8177 -8.8177 -6.2161 -6.2161 -5.4371 -5.4371 -1.4664 -1.4664 -1.4590 -1.4590 0.1181 0.1181 0.1183 0.1183 3.8856 3.8856 4.7365 4.7365 4.7532 4.7532 8.4063 8.4063 8.4078 8.4078 13.9613 13.9613 15.0895 15.0895 15.5764 15.5764 16.6202 16.6202 16.6422 16.6422 19.4762 19.4762 21.4063 21.4063 21.4193 21.4193 21.8642 21.8642 k = 0.0574 0.0461 0.0385 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4016 -31.4016 -29.0030 -29.0030 -28.7281 -28.7281 -28.7034 -28.7034 -26.5113 -26.5113 -26.5087 -26.5087 -14.3652 -14.3652 -14.3594 -14.3594 -8.8172 -8.8172 -6.1961 -6.1961 -5.4543 -5.4543 -1.4634 -1.4634 -1.4560 -1.4560 0.1099 0.1099 0.1101 0.1101 3.8817 3.8817 4.7426 4.7426 4.7592 4.7592 8.3947 8.3947 8.3963 8.3963 14.0064 14.0064 15.0253 15.0253 15.5866 15.5866 16.6207 16.6207 16.6427 16.6427 19.5629 19.5629 21.4087 21.4087 21.4217 21.4217 21.7597 21.7597 k = 0.0492 0.0395 0.0330 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4021 -31.4021 -29.0030 -29.0030 -28.7282 -28.7282 -28.7034 -28.7034 -26.5108 -26.5108 -26.5082 -26.5082 -14.3651 -14.3651 -14.3593 -14.3593 -8.8167 -8.8167 -6.1778 -6.1778 -5.4703 -5.4703 -1.4608 -1.4608 -1.4534 -1.4534 0.1028 0.1028 0.1029 0.1029 3.8783 3.8783 4.7479 4.7479 4.7646 4.7646 8.3846 8.3846 8.3862 8.3862 14.0511 14.0511 14.9642 14.9642 15.5954 15.5954 16.6212 16.6212 16.6432 16.6432 19.6465 19.6465 21.4108 21.4108 21.4239 21.4239 21.6596 21.6596 k = 0.0410 0.0329 0.0275 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4025 -31.4025 -29.0031 -29.0031 -28.7282 -28.7282 -28.7035 -28.7035 -26.5103 -26.5103 -26.5077 -26.5077 -14.3651 -14.3651 -14.3593 -14.3593 -8.8163 -8.8163 -6.1615 -6.1615 -5.4845 -5.4845 -1.4586 -1.4586 -1.4512 -1.4512 0.0966 0.0966 0.0968 0.0968 3.8754 3.8754 4.7525 4.7525 4.7691 4.7691 8.3759 8.3759 8.3775 8.3775 14.0945 14.0945 14.9070 14.9070 15.6029 15.6029 16.6216 16.6216 16.6436 16.6436 19.7252 19.7252 21.4126 21.4126 21.4257 21.4257 21.5663 21.5663 k = 0.0328 0.0263 0.0220 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4029 -31.4029 -29.0031 -29.0031 -28.7282 -28.7282 -28.7035 -28.7035 -26.5100 -26.5100 -26.5074 -26.5074 -14.3650 -14.3650 -14.3592 -14.3592 -8.8159 -8.8159 -6.1476 -6.1476 -5.4968 -5.4968 -1.4567 -1.4567 -1.4493 -1.4493 0.0916 0.0916 0.0917 0.0917 3.8731 3.8731 4.7563 4.7563 4.7729 4.7729 8.3687 8.3687 8.3703 8.3703 14.1353 14.1353 14.8548 14.8548 15.6091 15.6091 16.6219 16.6219 16.6440 16.6440 19.7966 19.7966 21.4141 21.4141 21.4272 21.4272 21.4824 21.4824 k = 0.0246 0.0198 0.0165 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4032 -31.4032 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5097 -26.5097 -26.5071 -26.5071 -14.3650 -14.3650 -14.3592 -14.3592 -8.8157 -8.8157 -6.1363 -6.1363 -5.5068 -5.5068 -1.4553 -1.4553 -1.4478 -1.4478 0.0876 0.0876 0.0877 0.0877 3.8712 3.8712 4.7593 4.7593 4.7759 4.7759 8.3631 8.3631 8.3647 8.3647 14.1719 14.1719 14.8094 14.8094 15.6139 15.6139 16.6222 16.6222 16.6442 16.6442 19.8580 19.8580 21.4111 21.4111 21.4152 21.4152 21.4284 21.4284 k = 0.0164 0.0132 0.0110 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4034 -31.4034 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5095 -26.5095 -26.5069 -26.5069 -14.3650 -14.3650 -14.3592 -14.3592 -8.8155 -8.8155 -6.1280 -6.1280 -5.5143 -5.5143 -1.4542 -1.4542 -1.4468 -1.4468 0.0848 0.0848 0.0849 0.0849 3.8699 3.8699 4.7614 4.7614 4.7781 4.7781 8.3591 8.3591 8.3607 8.3607 14.2017 14.2017 14.7734 14.7734 15.6174 15.6174 16.6224 16.6224 16.6444 16.6444 19.9057 19.9057 21.3561 21.3561 21.4160 21.4160 21.4292 21.4292 k = 0.0082 0.0066 0.0055 ( 2580 PWs) bands (ev): -62.0448 -62.0448 -31.4035 -31.4035 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5094 -26.5094 -26.5068 -26.5068 -14.3650 -14.3650 -14.3592 -14.3592 -8.8154 -8.8154 -6.1229 -6.1229 -5.5188 -5.5188 -1.4536 -1.4536 -1.4461 -1.4461 0.0831 0.0831 0.0832 0.0832 3.8691 3.8691 4.7628 4.7628 4.7794 4.7794 8.3566 8.3566 8.3582 8.3582 14.2215 14.2215 14.7497 14.7497 15.6194 15.6194 16.6225 16.6225 16.6445 16.6445 19.9363 19.9363 21.3211 21.3211 21.4165 21.4165 21.4297 21.4297 k = 0.0000 0.0000 0.0000 ( 2575 PWs) bands (ev): -62.0448 -62.0448 -31.4036 -31.4036 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5093 -26.5093 -26.5067 -26.5067 -14.3650 -14.3650 -14.3592 -14.3592 -8.8154 -8.8154 -6.1212 -6.1212 -5.5204 -5.5204 -1.4534 -1.4534 -1.4459 -1.4459 0.0826 0.0826 0.0827 0.0827 3.8689 3.8689 4.7632 4.7632 4.7798 4.7798 8.3558 8.3558 8.3574 8.3574 14.2285 14.2285 14.7415 14.7415 15.6202 15.6202 16.6225 16.6225 16.6446 16.6446 19.9470 19.9470 21.3091 21.3091 21.4167 21.4167 21.4299 21.4299 k = 0.0000 0.0000 0.0000 ( 2575 PWs) bands (ev): -62.0448 -62.0448 -31.4036 -31.4036 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5093 -26.5093 -26.5067 -26.5067 -14.3650 -14.3650 -14.3592 -14.3592 -8.8154 -8.8154 -6.1212 -6.1212 -5.5204 -5.5204 -1.4534 -1.4534 -1.4459 -1.4459 0.0826 0.0826 0.0827 0.0827 3.8689 3.8689 4.7632 4.7632 4.7798 4.7798 8.3558 8.3558 8.3574 8.3574 14.2285 14.2285 14.7415 14.7415 15.6202 15.6202 16.6225 16.6225 16.6446 16.6446 19.9470 19.9470 21.3091 21.3091 21.4167 21.4167 21.4299 21.4299 k = 0.0075-0.0016-0.0091 ( 2575 PWs) bands (ev): -62.0448 -62.0448 -31.4035 -31.4035 -29.0031 -29.0031 -28.7283 -28.7283 -28.7035 -28.7035 -26.5094 -26.5094 -26.5068 -26.5068 -14.3649 -14.3649 -14.3591 -14.3591 -8.8153 -8.8153 -6.1215 -6.1215 -5.5193 -5.5193 -1.4550 -1.4550 -1.4475 -1.4475 0.0827 0.0827 0.0831 0.0831 3.8637 3.8637 4.7667 4.7667 4.7843 4.7843 8.3562 8.3562 8.3581 8.3581 14.2300 14.2300 14.7420 14.7420 15.6191 15.6191 16.6203 16.6203 16.6426 16.6426 19.9524 19.9524 21.3063 21.3063 21.4172 21.4172 21.4303 21.4303 k = 0.0149-0.0033-0.0183 ( 2579 PWs) bands (ev): -62.0448 -62.0448 -31.4034 -31.4034 -29.0031 -29.0031 -28.7282 -28.7282 -28.7035 -28.7035 -26.5096 -26.5096 -26.5070 -26.5070 -14.3647 -14.3647 -14.3589 -14.3589 -8.8149 -8.8149 -6.1225 -6.1225 -5.5162 -5.5162 -1.4604 -1.4604 -1.4515 -1.4515 0.0830 0.0830 0.0846 0.0846 3.8485 3.8485 4.7731 4.7731 4.8011 4.8011 8.3565 8.3565 8.3610 8.3610 14.2343 14.2343 14.7434 14.7434 15.6159 15.6159 16.6123 16.6123 16.6382 16.6382 19.9687 19.9687 21.2982 21.2982 21.4185 21.4185 21.4314 21.4314 k = 0.0224-0.0049-0.0274 ( 2581 PWs) bands (ev): -62.0448 -62.0448 -31.4033 -31.4033 -29.0030 -29.0030 -28.7281 -28.7281 -28.7035 -28.7035 -26.5099 -26.5099 -26.5072 -26.5072 -14.3644 -14.3644 -14.3586 -14.3586 -8.8143 -8.8143 -6.1242 -6.1242 -5.5111 -5.5111 -1.4702 -1.4702 -1.4572 -1.4572 0.0835 0.0835 0.0871 0.0871 3.8246 3.8246 4.7798 4.7798 4.8317 4.8317 8.3566 8.3566 8.3661 8.3661 14.2415 14.2415 14.7458 14.7458 15.6106 15.6106 16.5963 16.5963 16.6339 16.6339 19.9954 19.9954 21.2853 21.2853 21.4203 21.4203 21.4330 21.4330 k = 0.0298-0.0066-0.0365 ( 2585 PWs) bands (ev): -62.0448 -62.0448 -31.4031 -31.4031 -29.0030 -29.0030 -28.7280 -28.7280 -28.7035 -28.7035 -26.5105 -26.5105 -26.5076 -26.5076 -14.3641 -14.3641 -14.3580 -14.3580 -8.8135 -8.8135 -6.1265 -6.1265 -5.5039 -5.5039 -1.4847 -1.4847 -1.4644 -1.4644 0.0842 0.0842 0.0906 0.0906 3.7938 3.7938 4.7878 4.7878 4.8731 4.8731 8.3567 8.3567 8.3734 8.3734 14.2515 14.2515 14.7492 14.7492 15.6031 15.6031 16.5724 16.5724 16.6301 16.6301 20.0319 20.0319 21.2680 21.2680 21.4223 21.4223 21.4347 21.4347 k = 0.0373-0.0082-0.0456 ( 2583 PWs) bands (ev): -62.0448 -62.0448 -31.4028 -31.4028 -29.0028 -29.0028 -28.7278 -28.7278 -28.7035 -28.7035 -26.5112 -26.5112 -26.5079 -26.5079 -14.3636 -14.3636 -14.3573 -14.3573 -8.8125 -8.8125 -6.1294 -6.1294 -5.4946 -5.4946 -1.5035 -1.5035 -1.4731 -1.4731 0.0850 0.0850 0.0950 0.0950 3.7578 3.7578 4.7977 4.7977 4.9231 4.9231 8.3569 8.3569 8.3828 8.3828 14.2643 14.2643 14.7534 14.7534 15.5938 15.5938 16.5418 16.5418 16.6262 16.6262 20.0776 20.0776 21.2468 21.2468 21.4243 21.4243 21.4364 21.4364 k = 0.0447-0.0099-0.0548 ( 2581 PWs) bands (ev): -62.0448 -62.0448 -31.4025 -31.4025 -29.0027 -29.0027 -28.7276 -28.7276 -28.7034 -28.7034 -26.5121 -26.5121 -26.5083 -26.5083 -14.3632 -14.3632 -14.3564 -14.3564 -8.8112 -8.8112 -6.1330 -6.1330 -5.4833 -5.4833 -1.5262 -1.5262 -1.4836 -1.4836 0.0860 0.0860 0.1004 0.1004 3.7181 3.7181 4.8095 4.8095 4.9796 4.9796 8.3571 8.3571 8.3941 8.3941 14.2799 14.2799 14.7585 14.7585 15.5823 15.5823 16.5056 16.5056 16.6220 16.6220 20.1314 20.1314 21.2219 21.2219 21.4260 21.4260 21.4378 21.4378 k = 0.0522-0.0115-0.0639 ( 2579 PWs) bands (ev): -62.0448 -62.0448 -31.4022 -31.4022 -29.0026 -29.0026 -28.7273 -28.7273 -28.7034 -28.7034 -26.5133 -26.5133 -26.5086 -26.5086 -14.3627 -14.3627 -14.3552 -14.3552 -8.8096 -8.8096 -6.1372 -6.1372 -5.4700 -5.4700 -1.5527 -1.5527 -1.4958 -1.4958 0.0870 0.0870 0.1067 0.1067 3.6760 3.6760 4.8234 4.8234 5.0412 5.0412 8.3574 8.3574 8.4074 8.4074 14.2983 14.2983 14.7644 14.7644 15.5688 15.5688 16.4648 16.4648 16.6172 16.6172 20.1924 20.1924 21.1934 21.1934 21.4271 21.4271 21.4391 21.4391 k = 0.0596-0.0132-0.0730 ( 2581 PWs) bands (ev): -62.0448 -62.0448 -31.4018 -31.4018 -29.0024 -29.0024 -28.7271 -28.7271 -28.7033 -28.7033 -26.5146 -26.5146 -26.5090 -26.5090 -14.3623 -14.3623 -14.3539 -14.3539 -8.8079 -8.8079 -6.1421 -6.1421 -5.4546 -5.4546 -1.5828 -1.5828 -1.5096 -1.5096 0.0881 0.0881 0.1139 0.1139 3.6325 3.6325 4.8392 4.8392 5.1067 5.1067 8.3578 8.3578 8.4226 8.4226 14.3194 14.3194 14.7709 14.7709 15.5533 15.5533 16.4203 16.4203 16.6117 16.6117 20.2594 20.2594 21.1614 21.1614 21.4270 21.4270 21.4403 21.4403 k = 0.0671-0.0148-0.0822 ( 2581 PWs) bands (ev): -62.0448 -62.0448 -31.4013 -31.4013 -29.0022 -29.0022 -28.7268 -28.7268 -28.7033 -28.7033 -26.5161 -26.5161 -26.5094 -26.5094 -14.3618 -14.3618 -14.3523 -14.3523 -8.8060 -8.8060 -6.1475 -6.1475 -5.4373 -5.4373 -1.6162 -1.6162 -1.5250 -1.5250 0.0891 0.0891 0.1219 0.1219 3.5883 3.5883 4.8571 4.8571 5.1751 5.1751 8.3584 8.3584 8.4397 8.4397 14.3432 14.3432 14.7781 14.7781 15.5360 15.5360 16.3730 16.3730 16.6056 16.6056 20.3314 20.3314 21.1261 21.1261 21.4255 21.4255 21.4415 21.4415 k = 0.0745-0.0165-0.0913 ( 2587 PWs) bands (ev): -62.0448 -62.0448 -31.4009 -31.4009 -29.0020 -29.0020 -28.7265 -28.7265 -28.7032 -28.7032 -26.5178 -26.5178 -26.5099 -26.5099 -14.3614 -14.3614 -14.3506 -14.3506 -8.8039 -8.8039 -6.1537 -6.1537 -5.4179 -5.4179 -1.6527 -1.6527 -1.5419 -1.5419 0.0901 0.0901 0.1307 0.1307 3.5440 3.5440 4.8769 4.8769 5.2455 5.2455 8.3590 8.3590 8.4585 8.4585 14.3696 14.3696 14.7857 14.7857 15.5169 15.5169 16.3236 16.3236 16.5988 16.5988 20.4073 20.4073 21.0874 21.0874 21.4225 21.4225 21.4426 21.4426 k = 0.0820-0.0181-0.1004 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.4003 -31.4003 -29.0018 -29.0018 -28.7261 -28.7261 -28.7032 -28.7032 -26.5197 -26.5197 -26.5103 -26.5103 -14.3609 -14.3609 -14.3488 -14.3488 -8.8017 -8.8017 -6.1604 -6.1604 -5.3967 -5.3967 -1.6920 -1.6920 -1.5602 -1.5602 0.0911 0.0911 0.1402 0.1402 3.4999 3.4999 4.8987 4.8987 5.3172 5.3172 8.3599 8.3599 8.4791 8.4791 14.3985 14.3985 14.7937 14.7937 15.4961 15.4961 16.2731 16.2731 16.5914 16.5914 20.4860 20.4860 21.0455 21.0455 21.4179 21.4179 21.4432 21.4432 k = 0.0894-0.0197-0.1095 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3997 -31.3997 -29.0016 -29.0016 -28.7257 -28.7257 -28.7031 -28.7031 -26.5216 -26.5216 -26.5108 -26.5108 -14.3604 -14.3604 -14.3468 -14.3468 -8.7992 -8.7992 -6.1677 -6.1677 -5.3734 -5.3734 -1.7339 -1.7339 -1.5799 -1.5799 0.0919 0.0919 0.1505 0.1505 3.4565 3.4565 4.9224 4.9224 5.3897 5.3897 8.3610 8.3610 8.5013 8.5013 14.4298 14.4298 14.8019 14.8019 15.4737 15.4737 16.2219 16.2219 16.5833 16.5833 20.5663 20.5663 21.0003 21.0003 21.4119 21.4119 21.4431 21.4431 k = 0.0969-0.0214-0.1187 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3991 -31.3991 -29.0013 -29.0013 -28.7253 -28.7253 -28.7030 -28.7030 -26.5237 -26.5237 -26.5113 -26.5113 -14.3598 -14.3598 -14.3448 -14.3448 -8.7967 -8.7967 -6.1756 -6.1756 -5.3483 -5.3483 -1.7781 -1.7781 -1.6008 -1.6008 0.0926 0.0926 0.1615 0.1615 3.4139 3.4139 4.9479 4.9479 5.4623 5.4623 8.3623 8.3623 8.5250 8.5250 14.4635 14.4635 14.8102 14.8102 15.4498 15.4498 16.1709 16.1709 16.5746 16.5746 20.6473 20.6473 20.9521 20.9521 21.4045 21.4045 21.4418 21.4418 k = 0.1043-0.0230-0.1278 ( 2585 PWs) bands (ev): -62.0448 -62.0448 -31.3983 -31.3983 -29.0011 -29.0011 -28.7249 -28.7249 -28.7029 -28.7029 -26.5259 -26.5259 -26.5117 -26.5117 -14.3592 -14.3592 -14.3426 -14.3426 -8.7940 -8.7940 -6.1841 -6.1841 -5.3213 -5.3213 -1.8243 -1.8243 -1.6229 -1.6229 0.0931 0.0931 0.1731 0.1731 3.3724 3.3724 4.9753 4.9753 5.5346 5.5346 8.3640 8.3640 8.5501 8.5501 14.4994 14.4994 14.8184 14.8184 15.4245 15.4245 16.1207 16.1207 16.5652 16.5652 20.7278 20.7278 20.9009 20.9009 21.3958 21.3958 21.4393 21.4393 k = 0.1118-0.0247-0.1369 ( 2585 PWs) bands (ev): -62.0448 -62.0448 -31.3976 -31.3976 -29.0008 -29.0008 -28.7245 -28.7245 -28.7029 -28.7029 -26.5282 -26.5282 -26.5122 -26.5122 -14.3585 -14.3585 -14.3405 -14.3405 -8.7912 -8.7912 -6.1932 -6.1932 -5.2924 -5.2924 -1.8723 -1.8723 -1.6461 -1.6461 0.0935 0.0935 0.1854 0.1854 3.3319 3.3319 5.0044 5.0044 5.6061 5.6061 8.3659 8.3659 8.5766 8.5766 14.5374 14.5374 14.8263 14.8263 15.3979 15.3979 16.0716 16.0716 16.5554 16.5554 20.8067 20.8067 20.8468 20.8468 21.3859 21.3859 21.4353 21.4353 k = 0.1192-0.0263-0.1460 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3968 -31.3968 -29.0006 -29.0006 -28.7241 -28.7241 -28.7028 -28.7028 -26.5305 -26.5305 -26.5128 -26.5128 -14.3578 -14.3578 -14.3384 -14.3384 -8.7883 -8.7883 -6.2027 -6.2027 -5.2618 -5.2618 -1.9218 -1.9218 -1.6703 -1.6703 0.0936 0.0936 0.1983 0.1983 3.2925 3.2925 5.0352 5.0352 5.6764 5.6764 8.3682 8.3682 8.6044 8.6044 14.5774 14.5774 14.8336 14.8336 15.3704 15.3704 16.0242 16.0242 16.5451 16.5451 20.7899 20.7899 20.8827 20.8827 21.3748 21.3748 21.4299 21.4299 k = 0.1267-0.0280-0.1552 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3960 -31.3960 -29.0003 -29.0003 -28.7237 -28.7237 -28.7027 -28.7027 -26.5330 -26.5330 -26.5134 -26.5134 -14.3569 -14.3569 -14.3363 -14.3363 -8.7854 -8.7854 -6.2126 -6.2126 -5.2294 -5.2294 -1.9725 -1.9725 -1.6955 -1.6955 0.0935 0.0935 0.2119 0.2119 3.2545 3.2545 5.0677 5.0677 5.7451 5.7451 8.3708 8.3708 8.6332 8.6332 14.6191 14.6191 14.8402 14.8402 15.3419 15.3419 15.9790 15.9790 16.5344 16.5344 20.7306 20.7306 20.9544 20.9544 21.3627 21.3627 21.4235 21.4235 k = 0.1341-0.0296-0.1643 ( 2591 PWs) bands (ev): -62.0448 -62.0448 -31.3951 -31.3951 -29.0001 -29.0001 -28.7233 -28.7233 -28.7026 -28.7026 -26.5354 -26.5354 -26.5140 -26.5140 -14.3560 -14.3560 -14.3342 -14.3342 -8.7824 -8.7824 -6.2232 -6.2232 -5.1953 -5.1953 -2.0243 -2.0243 -1.7215 -1.7215 0.0932 0.0932 0.2259 0.2259 3.2177 3.2177 5.1017 5.1017 5.8118 5.8118 8.3738 8.3738 8.6632 8.6632 14.6623 14.6623 14.8458 14.8458 15.3128 15.3128 15.9363 15.9363 16.5236 16.5236 20.6689 20.6689 21.0199 21.0199 21.3498 21.3498 21.4170 21.4170 k = 0.1416-0.0313-0.1734 ( 2585 PWs) bands (ev): -62.0448 -62.0448 -31.3942 -31.3942 -28.9998 -28.9998 -28.7229 -28.7229 -28.7025 -28.7025 -26.5378 -26.5378 -26.5146 -26.5146 -14.3550 -14.3550 -14.3322 -14.3322 -8.7793 -8.7793 -6.2343 -6.2343 -5.1595 -5.1595 -2.0767 -2.0767 -1.7482 -1.7482 0.0926 0.0926 0.2406 0.2406 3.1823 3.1823 5.1373 5.1373 5.8762 5.8762 8.3773 8.3773 8.6940 8.6940 14.7068 14.7068 14.8501 14.8501 15.2834 15.2834 15.8964 15.8964 16.5128 16.5128 20.6052 20.6052 21.0761 21.0761 21.3362 21.3362 21.4126 21.4126 k = 0.1490-0.0329-0.1826 ( 2585 PWs) bands (ev): -62.0448 -62.0448 -31.3932 -31.3932 -28.9996 -28.9996 -28.7225 -28.7225 -28.7025 -28.7025 -26.5403 -26.5403 -26.5152 -26.5152 -14.3539 -14.3539 -14.3303 -14.3303 -8.7763 -8.7763 -6.2458 -6.2458 -5.1222 -5.1222 -2.1296 -2.1296 -1.7757 -1.7757 0.0917 0.0917 0.2558 0.2558 3.1481 3.1481 5.1743 5.1743 5.9379 5.9379 8.3813 8.3813 8.7256 8.7256 14.7523 14.7523 14.8528 14.8528 15.2539 15.2539 15.8596 15.8596 16.5021 16.5021 20.5396 20.5396 21.1191 21.1191 21.3222 21.3222 21.4137 21.4137 k = 0.1565-0.0346-0.1917 ( 2587 PWs) bands (ev): -62.0448 -62.0448 -31.3922 -31.3922 -28.9994 -28.9994 -28.7222 -28.7222 -28.7024 -28.7024 -26.5429 -26.5429 -26.5159 -26.5159 -14.3527 -14.3527 -14.3286 -14.3286 -8.7732 -8.7732 -6.2577 -6.2577 -5.0834 -5.0834 -2.1827 -2.1827 -1.8037 -1.8037 0.0905 0.0905 0.2715 0.2715 3.1153 3.1153 5.2127 5.2127 5.9966 5.9966 8.3857 8.3857 8.7578 8.7578 14.7985 14.7985 14.8535 14.8535 15.2247 15.2247 15.8260 15.8260 16.4919 16.4919 20.4723 20.4723 21.1441 21.1441 21.3079 21.3079 21.4246 21.4246 k = 0.1639-0.0362-0.2008 ( 2583 PWs) bands (ev): -62.0448 -62.0448 -31.3912 -31.3912 -28.9992 -28.9992 -28.7218 -28.7218 -28.7024 -28.7024 -26.5453 -26.5453 -26.5165 -26.5165 -14.3514 -14.3514 -14.3270 -14.3270 -8.7702 -8.7702 -6.2701 -6.2701 -5.0432 -5.0432 -2.2358 -2.2358 -1.8323 -1.8323 0.0891 0.0891 0.2877 0.2877 3.0839 3.0839 5.2524 5.2524 6.0521 6.0521 8.3906 8.3906 8.7907 8.7907 14.8446 14.8446 14.8523 14.8523 15.1961 15.1961 15.7959 15.7959 16.4826 16.4826 20.4038 20.4038 21.1488 21.1488 21.2936 21.2936 21.4474 21.4474 k = 0.1714-0.0378-0.2099 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3902 -31.3902 -28.9990 -28.9990 -28.7215 -28.7215 -28.7023 -28.7023 -26.5478 -26.5478 -26.5173 -26.5173 -14.3501 -14.3501 -14.3256 -14.3256 -8.7672 -8.7672 -6.2828 -6.2828 -5.0017 -5.0017 -2.2886 -2.2886 -1.8614 -1.8614 0.0874 0.0874 0.3044 0.3044 3.0538 3.0538 5.2933 5.2933 6.1038 6.1038 8.3960 8.3960 8.8239 8.8239 14.8477 14.8477 14.8912 14.8912 15.1687 15.1687 15.7693 15.7693 16.4745 16.4745 20.3341 20.3341 21.1358 21.1358 21.2794 21.2794 21.4794 21.4794 k = 0.1788-0.0395-0.2191 ( 2591 PWs) bands (ev): -62.0448 -62.0448 -31.3891 -31.3891 -28.9988 -28.9988 -28.7212 -28.7212 -28.7023 -28.7023 -26.5502 -26.5502 -26.5179 -26.5179 -14.3486 -14.3486 -14.3244 -14.3244 -8.7643 -8.7643 -6.2959 -6.2959 -4.9589 -4.9589 -2.3409 -2.3409 -1.8909 -1.8909 0.0855 0.0855 0.3216 0.3216 3.0251 3.0251 5.3354 5.3354 6.1517 6.1517 8.4019 8.4019 8.8574 8.8574 14.8405 14.8405 14.9366 14.9366 15.1430 15.1430 15.7462 15.7462 16.4681 16.4681 20.2636 20.2636 21.1098 21.1098 21.2656 21.2656 21.5164 21.5164 k = 0.1863-0.0411-0.2282 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3879 -31.3879 -28.9987 -28.9987 -28.7210 -28.7210 -28.7023 -28.7023 -26.5525 -26.5525 -26.5186 -26.5186 -14.3470 -14.3470 -14.3234 -14.3234 -8.7614 -8.7614 -6.3094 -6.3094 -4.9151 -4.9151 -2.3924 -2.3924 -1.9207 -1.9207 0.0832 0.0832 0.3393 0.3393 2.9977 2.9977 5.3785 5.3785 6.1956 6.1956 8.4084 8.4084 8.8911 8.8911 14.8300 14.8300 14.9806 14.9806 15.1194 15.1194 15.7266 15.7266 16.4639 16.4639 20.1925 20.1925 21.0745 21.0746 21.2523 21.2523 21.5547 21.5547 k = 0.1937-0.0428-0.2373 ( 2589 PWs) bands (ev): -62.0448 -62.0448 -31.3868 -31.3868 -28.9985 -28.9985 -28.7207 -28.7207 -28.7023 -28.7023 -26.5548 -26.5548 -26.5193 -26.5193 -14.3453 -14.3453 -14.3227 -14.3227 -8.7586 -8.7586 -6.3231 -6.3231 -4.8703 -4.8703 -2.4429 -2.4429 -1.9508 -1.9508 0.0807 0.0807 0.3575 0.3575 2.9718 2.9718 5.4226 5.4226 6.2350 6.2350 8.4154 8.4154 8.9248 8.9248 14.8160 14.8160 15.0226 15.0226 15.0985 15.0985 15.7102 15.7102 16.4626 16.4626 20.1211 20.1211 21.0327 21.0327 21.2399 21.2399 21.5923 21.5923 k = 0.2012-0.0444-0.2465 ( 2593 PWs) bands (ev): -62.0448 -62.0448 -31.3856 -31.3856 -28.9984 -28.9984 -28.7205 -28.7205 -28.7023 -28.7023 -26.5570 -26.5570 -26.5200 -26.5200 -14.3435 -14.3435 -14.3223 -14.3223 -8.7559 -8.7559 -6.3372 -6.3372 -4.8248 -4.8248 -2.4922 -2.4922 -1.9810 -1.9810 0.0779 0.0779 0.3761 0.3761 2.9471 2.9471 5.4677 5.4677 6.2699 6.2699 8.4229 8.4229 8.9584 8.9584 14.7984 14.7984 15.0616 15.0616 15.0808 15.0808 15.6968 15.6968 16.4649 16.4649 20.0497 20.0497 20.9857 20.9857 21.2285 21.2285 21.6280 21.6280 k = 0.2086-0.0461-0.2556 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3844 -31.3844 -28.9984 -28.9984 -28.7203 -28.7203 -28.7024 -28.7024 -26.5590 -26.5590 -26.5207 -26.5207 -14.3416 -14.3416 -14.3221 -14.3221 -8.7533 -8.7533 -6.3514 -6.3514 -4.7785 -4.7785 -2.5400 -2.5400 -2.0114 -2.0114 0.0749 0.0749 0.3951 0.3951 2.9239 2.9239 5.5135 5.5135 6.3001 6.3001 8.4309 8.4309 8.9917 8.9917 14.7775 14.7775 15.0658 15.0658 15.0976 15.0976 15.6862 15.6862 16.4714 16.4714 19.9785 19.9785 20.9350 20.9350 21.2183 21.2183 21.6612 21.6612 k = 0.2161-0.0477-0.2647 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3832 -31.3832 -28.9983 -28.9983 -28.7202 -28.7202 -28.7024 -28.7024 -26.5610 -26.5610 -26.5213 -26.5213 -14.3396 -14.3396 -14.3222 -14.3222 -8.7508 -8.7508 -6.3659 -6.3659 -4.7319 -4.7319 -2.5860 -2.5860 -2.0419 -2.0419 0.0716 0.0716 0.4145 0.4145 2.9021 2.9021 5.5601 5.5601 6.3254 6.3254 8.4395 8.4395 9.0247 9.0247 14.7535 14.7535 15.0544 15.0544 15.1287 15.1287 15.6782 15.6782 16.4828 16.4828 19.9078 19.9078 20.8812 20.8812 21.2095 21.2095 21.6917 21.6917 k = 0.2235-0.0494-0.2738 ( 2595 PWs) bands (ev): -62.0447 -62.0447 -31.3820 -31.3820 -28.9983 -28.9983 -28.7201 -28.7201 -28.7025 -28.7025 -26.5629 -26.5629 -26.5220 -26.5220 -14.3375 -14.3375 -14.3226 -14.3226 -8.7485 -8.7485 -6.3806 -6.3806 -4.6850 -4.6850 -2.6300 -2.6300 -2.0724 -2.0724 0.0681 0.0681 0.4343 0.4343 2.8817 2.8817 5.6073 5.6073 6.3456 6.3456 8.4486 8.4486 9.0572 9.0572 14.7270 14.7270 15.0460 15.0460 15.1548 15.1548 15.6723 15.6723 16.4999 16.4999 19.8377 19.8377 20.8249 20.8249 21.2022 21.2022 21.7194 21.7194 k = 0.2310-0.0510-0.2830 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3808 -31.3808 -28.9983 -28.9983 -28.7200 -28.7200 -28.7027 -28.7027 -26.5647 -26.5647 -26.5227 -26.5227 -14.3354 -14.3354 -14.3232 -14.3232 -8.7463 -8.7463 -6.3953 -6.3953 -4.6381 -4.6381 -2.6718 -2.6718 -2.1029 -2.1029 0.0643 0.0643 0.4545 0.4545 2.8627 2.8627 5.6550 5.6550 6.3608 6.3608 8.4582 8.4582 9.0891 9.0891 14.6986 14.6986 15.0406 15.0406 15.1753 15.1753 15.6683 15.6683 16.5231 16.5231 19.7686 19.7686 20.7669 20.7669 21.1966 21.1966 21.7441 21.7441 k = 0.2384-0.0527-0.2921 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3795 -31.3795 -28.9983 -28.9983 -28.7199 -28.7199 -28.7028 -28.7028 -26.5663 -26.5663 -26.5234 -26.5234 -14.3333 -14.3333 -14.3240 -14.3240 -8.7443 -8.7443 -6.4102 -6.4102 -4.5916 -4.5916 -2.7110 -2.7110 -2.1332 -2.1332 0.0603 0.0603 0.4751 0.4751 2.8451 2.8451 5.7032 5.7032 6.3707 6.3707 8.4682 8.4682 9.1202 9.1202 14.6689 14.6689 15.0377 15.0377 15.1897 15.1897 15.6659 15.6659 16.5527 16.5527 19.7005 19.7005 20.7076 20.7076 21.1928 21.1928 21.7660 21.7660 k = 0.2459-0.0543-0.3012 ( 2593 PWs) bands (ev): -62.0447 -62.0447 -31.3782 -31.3782 -28.9984 -28.9984 -28.7199 -28.7199 -28.7030 -28.7030 -26.5678 -26.5678 -26.5241 -26.5241 -14.3315 -14.3315 -14.3247 -14.3247 -8.7424 -8.7424 -6.4252 -6.4252 -4.5456 -4.5456 -2.7474 -2.7474 -2.1634 -2.1634 0.0561 0.0561 0.4960 0.4960 2.8290 2.8290 5.7517 5.7517 6.3754 6.3754 8.4787 8.4787 9.1505 9.1505 14.6383 14.6383 15.0374 15.0374 15.1979 15.1979 15.6648 15.6648 16.5888 16.5888 19.6338 19.6338 20.6474 20.6474 21.1906 21.1906 21.7849 21.7849 k = 0.2533-0.0559-0.3104 ( 2593 PWs) bands (ev): -62.0447 -62.0447 -31.3770 -31.3770 -28.9985 -28.9985 -28.7199 -28.7199 -28.7032 -28.7032 -26.5691 -26.5691 -26.5247 -26.5247 -14.3307 -14.3307 -14.3247 -14.3247 -8.7406 -8.7406 -6.4403 -6.4403 -4.5005 -4.5005 -2.7806 -2.7806 -2.1934 -2.1934 0.0516 0.0516 0.5172 0.5172 2.8144 2.8144 5.8005 5.8005 6.3749 6.3749 8.4897 8.4897 9.1797 9.1797 14.6074 14.6074 15.0393 15.0393 15.1999 15.1999 15.6648 15.6648 16.6313 16.6313 19.5687 19.5687 20.5866 20.5866 21.1903 21.1903 21.8010 21.8010 k = 0.2608-0.0576-0.3195 ( 2595 PWs) bands (ev): -62.0447 -62.0447 -31.3757 -31.3757 -28.9986 -28.9986 -28.7200 -28.7200 -28.7034 -28.7034 -26.5704 -26.5704 -26.5253 -26.5253 -14.3315 -14.3315 -14.3232 -14.3232 -8.7391 -8.7391 -6.4554 -6.4554 -4.4567 -4.4567 -2.8104 -2.8104 -2.2231 -2.2231 0.0470 0.0470 0.5387 0.5387 2.8013 2.8013 5.8494 5.8494 6.3691 6.3691 8.5011 8.5011 9.2079 9.2079 14.5766 14.5766 15.0433 15.0433 15.1960 15.1960 15.6658 15.6658 16.6798 16.6798 19.5054 19.5054 20.5257 20.5257 21.1916 21.1916 21.8143 21.8143 k = 0.2682-0.0592-0.3286 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3744 -31.3744 -28.9987 -28.9987 -28.7201 -28.7201 -28.7037 -28.7037 -26.5714 -26.5714 -26.5259 -26.5259 -14.3334 -14.3334 -14.3209 -14.3209 -8.7377 -8.7377 -6.4703 -6.4703 -4.4146 -4.4146 -2.8363 -2.8363 -2.2525 -2.2525 0.0422 0.0422 0.5604 0.5604 2.7897 2.7897 5.8983 5.8983 6.3582 6.3582 8.5130 8.5130 9.2349 9.2349 14.5461 14.5461 15.0491 15.0491 15.1866 15.1866 15.6677 15.6677 16.7336 16.7336 19.4441 19.4441 20.4647 20.4647 21.1945 21.1945 21.8246 21.8246 k = 0.2757-0.0609-0.3377 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3731 -31.3731 -28.9989 -28.9989 -28.7202 -28.7202 -28.7040 -28.7040 -26.5724 -26.5724 -26.5265 -26.5265 -14.3358 -14.3358 -14.3182 -14.3182 -8.7364 -8.7364 -6.4854 -6.4854 -4.3745 -4.3745 -2.8581 -2.8581 -2.2816 -2.2816 0.0373 0.0373 0.5823 0.5823 2.7797 2.7797 5.9472 5.9472 6.3421 6.3421 8.5252 8.5252 9.2606 9.2606 14.5164 14.5164 15.0565 15.0565 15.1721 15.1721 15.6704 15.6704 16.7923 16.7923 19.3851 19.3851 20.4040 20.4040 21.1988 21.1988 21.8321 21.8321 k = 0.2831-0.0625-0.3469 ( 2591 PWs) bands (ev): -62.0447 -62.0447 -31.3719 -31.3719 -28.9991 -28.9991 -28.7204 -28.7204 -28.7043 -28.7043 -26.5732 -26.5732 -26.5270 -26.5270 -14.3386 -14.3386 -14.3154 -14.3154 -8.7353 -8.7353 -6.5003 -6.5003 -4.3368 -4.3368 -2.8754 -2.8754 -2.3102 -2.3102 0.0322 0.0322 0.6043 0.6043 2.7713 2.7713 5.9959 5.9959 6.3211 6.3211 8.5378 8.5378 9.2850 9.2850 14.4876 14.4876 15.0652 15.0652 15.1533 15.1533 15.6741 15.6741 16.8548 16.8548 19.3288 19.3288 20.3436 20.3436 21.2040 21.2040 21.8368 21.8368 k = 0.2906-0.0642-0.3560 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3706 -31.3706 -28.9993 -28.9993 -28.7206 -28.7206 -28.7046 -28.7046 -26.5737 -26.5737 -26.5276 -26.5276 -14.3417 -14.3417 -14.3125 -14.3125 -8.7344 -8.7344 -6.5151 -6.5151 -4.3020 -4.3020 -2.8880 -2.8880 -2.3384 -2.3384 0.0270 0.0270 0.6264 0.6264 2.7646 2.7646 6.0443 6.0443 6.2952 6.2952 8.5507 8.5507 9.3079 9.3079 14.4601 14.4601 15.0748 15.0748 15.1307 15.1307 15.6790 15.6790 16.9205 16.9205 19.2754 19.2754 20.2838 20.2838 21.2099 21.2099 21.8385 21.8385 k = 0.2980-0.0658-0.3651 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3694 -31.3694 -28.9996 -28.9996 -28.7208 -28.7208 -28.7050 -28.7050 -26.5742 -26.5742 -26.5282 -26.5282 -14.3451 -14.3451 -14.3095 -14.3095 -8.7337 -8.7337 -6.5298 -6.5298 -4.2703 -4.2703 -2.8956 -2.8956 -2.3660 -2.3660 0.0216 0.0216 0.6486 0.6486 2.7594 2.7594 6.0923 6.0923 6.2646 6.2646 8.5639 8.5639 9.3293 9.3293 14.4340 14.4340 15.0845 15.0845 15.1052 15.1052 15.6851 15.6851 16.9883 16.9883 19.2253 19.2253 20.2246 20.2246 21.2160 21.2160 21.8373 21.8373 k = 0.3055-0.0675-0.3743 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3681 -31.3681 -28.9999 -28.9999 -28.7211 -28.7211 -28.7054 -28.7054 -26.5746 -26.5746 -26.5287 -26.5287 -14.3487 -14.3487 -14.3065 -14.3065 -8.7331 -8.7331 -6.5442 -6.5442 -4.2422 -4.2422 -2.8980 -2.8980 -2.3931 -2.3931 0.0162 0.0162 0.6708 0.6708 2.7559 2.7559 6.1395 6.1395 6.2298 6.2298 8.5774 8.5774 9.3491 9.3491 14.4096 14.4096 15.0752 15.0752 15.0962 15.0962 15.6930 15.6930 17.0574 17.0574 19.1790 19.1790 20.1661 20.1661 21.2217 21.2217 21.8331 21.8331 k = 0.3129-0.0691-0.3834 ( 2585 PWs) bands (ev): -62.0447 -62.0447 -31.3669 -31.3669 -29.0002 -29.0002 -28.7214 -28.7214 -28.7057 -28.7057 -26.5748 -26.5748 -26.5292 -26.5292 -14.3526 -14.3526 -14.3034 -14.3034 -8.7327 -8.7327 -6.5584 -6.5584 -4.2177 -4.2177 -2.8952 -2.8952 -2.4196 -2.4196 0.0107 0.0107 0.6930 0.6930 2.7542 2.7542 6.1792 6.1792 6.1976 6.1976 8.5912 8.5912 9.3673 9.3673 14.3870 14.3870 15.0449 15.0449 15.1054 15.1054 15.7028 15.7028 17.1268 17.1268 19.1370 19.1370 20.1084 20.1084 21.2263 21.2263 21.8259 21.8259 k = 0.3204-0.0707-0.3925 ( 2583 PWs) bands (ev): -62.0447 -62.0447 -31.3657 -31.3657 -29.0005 -29.0005 -28.7217 -28.7217 -28.7061 -28.7061 -26.5750 -26.5750 -26.5296 -26.5296 -14.3566 -14.3566 -14.3002 -14.3002 -8.7325 -8.7325 -6.5724 -6.5724 -4.1970 -4.1970 -2.8871 -2.8871 -2.4455 -2.4455 0.0052 0.0052 0.7150 0.7150 2.7541 2.7541 6.1447 6.1447 6.2348 6.2348 8.6051 8.6051 9.3838 9.3838 14.3663 14.3663 15.0126 15.0126 15.1140 15.1140 15.7152 15.7152 17.1956 17.1956 19.0998 19.0998 20.0515 20.0515 21.2291 21.2291 21.8156 21.8156 k = 0.3278-0.0724-0.4016 ( 2587 PWs) bands (ev): -62.0447 -62.0447 -31.3645 -31.3645 -29.0008 -29.0008 -28.7221 -28.7221 -28.7065 -28.7065 -26.5750 -26.5750 -26.5301 -26.5301 -14.3608 -14.3608 -14.2971 -14.2971 -8.7324 -8.7324 -6.5861 -6.5861 -4.1801 -4.1801 -2.8741 -2.8741 -2.4706 -2.4706 -0.0004 -0.0004 0.7369 0.7369 2.7558 2.7558 6.0977 6.0977 6.2799 6.2799 8.6192 8.6192 9.3988 9.3988 14.3477 14.3477 14.9789 14.9789 15.1209 15.1209 15.7304 15.7304 17.2627 17.2627 19.0682 19.0682 19.9955 19.9955 21.2295 21.2295 21.8021 21.8021 k = 0.3353-0.0740-0.4108 ( 2587 PWs) bands (ev): -62.0447 -62.0447 -31.3633 -31.3633 -29.0012 -29.0012 -28.7225 -28.7225 -28.7069 -28.7069 -26.5748 -26.5748 -26.5305 -26.5305 -14.3651 -14.3651 -14.2940 -14.2940 -8.7324 -8.7324 -6.5995 -6.5995 -4.1669 -4.1669 -2.8564 -2.8564 -2.4951 -2.4951 -0.0060 -0.0060 0.7585 0.7585 2.7592 2.7592 6.0469 6.0469 6.3245 6.3245 8.6334 8.6334 9.4121 9.4121 14.3313 14.3313 14.9444 14.9444 15.1257 15.1257 15.7490 15.7490 17.3272 17.3272 19.0429 19.0429 19.9403 19.9403 21.2268 21.2268 21.7855 21.7855 k = 0.3427-0.0757-0.4199 ( 2589 PWs) bands (ev): -62.0446 -62.0446 -31.3622 -31.3622 -29.0016 -29.0016 -28.7229 -28.7229 -28.7073 -28.7073 -26.5746 -26.5746 -26.5310 -26.5310 -14.3696 -14.3696 -14.2908 -14.2908 -8.7325 -8.7325 -6.6125 -6.6125 -4.1571 -4.1571 -2.8343 -2.8343 -2.5187 -2.5187 -0.0116 -0.0116 0.7799 0.7799 2.7643 2.7643 5.9928 5.9928 6.3681 6.3681 8.6476 8.6476 9.4238 9.4238 14.3171 14.3171 14.9093 14.9093 15.1280 15.1280 15.7711 15.7711 17.3878 17.3878 19.0247 19.0247 19.8860 19.8860 21.2205 21.2205 21.7657 21.7657 k = 0.3502-0.0773-0.4290 ( 2589 PWs) bands (ev): -62.0446 -62.0446 -31.3611 -31.3611 -29.0019 -29.0019 -28.7233 -28.7233 -28.7077 -28.7077 -26.5743 -26.5743 -26.5314 -26.5314 -14.3741 -14.3741 -14.2877 -14.2877 -8.7328 -8.7328 -6.6251 -6.6251 -4.1504 -4.1504 -2.8084 -2.8084 -2.5415 -2.5415 -0.0172 -0.0172 0.8009 0.8009 2.7712 2.7712 5.9359 5.9359 6.4106 6.4106 8.6618 8.6618 9.4339 9.4339 14.3053 14.3053 14.8740 14.8740 15.1273 15.1273 15.7970 15.7970 17.4436 17.4436 19.0144 19.0144 19.8326 19.8326 21.2103 21.2103 21.7428 21.7429 k = 0.3576-0.0790-0.4381 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3600 -31.3600 -29.0023 -29.0023 -28.7238 -28.7238 -28.7080 -28.7080 -26.5739 -26.5739 -26.5318 -26.5318 -14.3787 -14.3787 -14.2846 -14.2846 -8.7331 -8.7331 -6.6374 -6.6374 -4.1465 -4.1465 -2.7793 -2.7793 -2.5635 -2.5635 -0.0227 -0.0227 0.8214 0.8214 2.7799 2.7799 5.8765 5.8765 6.4520 6.4520 8.6760 8.6760 9.4424 9.4424 14.2959 14.2959 14.8389 14.8389 15.1236 15.1236 15.8267 15.8267 17.4936 17.4936 19.0127 19.0127 19.7802 19.7802 21.1960 21.1960 21.7169 21.7169 k = 0.3651-0.0806-0.4473 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3590 -31.3590 -29.0027 -29.0027 -28.7243 -28.7243 -28.7084 -28.7084 -26.5734 -26.5734 -26.5321 -26.5321 -14.3833 -14.3833 -14.2816 -14.2816 -8.7336 -8.7336 -6.6492 -6.6492 -4.1450 -4.1450 -2.7475 -2.7475 -2.5846 -2.5846 -0.0281 -0.0281 0.8415 0.8415 2.7902 2.7902 5.8150 5.8150 6.4921 6.4921 8.6900 8.6900 9.4496 9.4496 14.2888 14.2888 14.8041 14.8041 15.1168 15.1168 15.8599 15.8599 17.5371 17.5371 19.0203 19.0203 19.7287 19.7287 21.1776 21.1776 21.6881 21.6881 k = 0.3725-0.0823-0.4564 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3580 -31.3580 -29.0031 -29.0031 -28.7248 -28.7248 -28.7087 -28.7087 -26.5729 -26.5729 -26.5324 -26.5324 -14.3878 -14.3878 -14.2787 -14.2787 -8.7341 -8.7341 -6.6606 -6.6606 -4.1456 -4.1456 -2.7137 -2.7137 -2.6048 -2.6048 -0.0335 -0.0335 0.8611 0.8611 2.8022 2.8022 5.7518 5.7518 6.5307 6.5307 8.7038 8.7038 9.4553 9.4553 14.2840 14.2840 14.7700 14.7700 15.1070 15.1070 15.8965 15.8965 17.5736 17.5736 19.0374 19.0374 19.6781 19.6781 21.1551 21.1551 21.6567 21.6567 k = 0.3800-0.0839-0.4655 ( 2589 PWs) bands (ev): -62.0446 -62.0446 -31.3571 -31.3571 -29.0035 -29.0035 -28.7253 -28.7253 -28.7091 -28.7091 -26.5723 -26.5723 -26.5327 -26.5327 -14.3923 -14.3923 -14.2758 -14.2758 -8.7346 -8.7346 -6.6714 -6.6714 -4.1477 -4.1477 -2.6785 -2.6785 -2.6239 -2.6239 -0.0387 -0.0387 0.8799 0.8799 2.8157 2.8157 5.6874 5.6874 6.5678 6.5678 8.7173 8.7173 9.4597 9.4597 14.2817 14.2817 14.7367 14.7367 15.0945 15.0945 15.9360 15.9360 17.6028 17.6028 19.0640 19.0640 19.6286 19.6286 21.1287 21.1287 21.6228 21.6228 k = 0.3874-0.0856-0.4747 ( 2583 PWs) bands (ev): -62.0446 -62.0446 -31.3562 -31.3562 -29.0039 -29.0039 -28.7258 -28.7258 -28.7094 -28.7094 -26.5717 -26.5717 -26.5329 -26.5329 -14.3968 -14.3968 -14.2730 -14.2730 -8.7352 -8.7352 -6.6817 -6.6817 -4.1511 -4.1511 -2.6450 -2.6450 -2.6396 -2.6396 -0.0437 -0.0437 0.8981 0.8981 2.8308 2.8308 5.6223 5.6223 6.6033 6.6033 8.7305 8.7305 9.4630 9.4630 14.2816 14.2816 14.7045 14.7045 15.0795 15.0795 15.9781 15.9781 17.6249 17.6249 19.1000 19.1000 19.5802 19.5802 21.0986 21.0986 21.5869 21.5869 k = 0.3949-0.0872-0.4838 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3553 -31.3553 -29.0043 -29.0043 -28.7263 -28.7263 -28.7097 -28.7097 -26.5711 -26.5711 -26.5332 -26.5332 -14.4011 -14.4011 -14.2704 -14.2704 -8.7359 -8.7359 -6.6915 -6.6915 -4.1555 -4.1555 -2.6596 -2.6596 -2.6058 -2.6058 -0.0486 -0.0486 0.9156 0.9156 2.8472 2.8472 5.5569 5.5569 6.6370 6.6370 8.7433 8.7433 9.4653 9.4653 14.2837 14.2837 14.6735 14.6735 15.0623 15.0623 16.0220 16.0220 17.6405 17.6405 19.1445 19.1445 19.5330 19.5330 21.0649 21.0649 21.5495 21.5495 k = 0.4023-0.0888-0.4929 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3545 -31.3545 -29.0047 -29.0047 -28.7268 -28.7268 -28.7099 -28.7099 -26.5705 -26.5705 -26.5335 -26.5335 -14.4053 -14.4053 -14.2678 -14.2678 -8.7366 -8.7366 -6.7007 -6.7007 -4.1605 -4.1605 -2.6757 -2.6757 -2.5697 -2.5697 -0.0534 -0.0534 0.9322 0.9322 2.8648 2.8648 5.4918 5.4918 6.6690 6.6690 8.7556 8.7556 9.4666 9.4666 14.2878 14.2878 14.6439 14.6439 15.0432 15.0432 16.0674 16.0674 17.6503 17.6503 19.1967 19.1967 19.4870 19.4870 21.0278 21.0278 21.5109 21.5109 k = 0.4098-0.0905-0.5020 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3538 -31.3538 -29.0050 -29.0050 -28.7273 -28.7273 -28.7102 -28.7102 -26.5699 -26.5699 -26.5337 -26.5337 -14.4093 -14.4093 -14.2654 -14.2654 -8.7373 -8.7373 -6.7093 -6.7093 -4.1659 -4.1659 -2.6908 -2.6908 -2.5342 -2.5342 -0.0579 -0.0579 0.9479 0.9479 2.8834 2.8834 5.4274 5.4274 6.6990 6.6990 8.7673 8.7673 9.4670 9.4670 14.2940 14.2940 14.6159 14.6159 15.0225 15.0225 16.1136 16.1136 17.6551 17.6551 19.2555 19.2555 19.4425 19.4425 20.9876 20.9876 21.4718 21.4718 k = 0.4172-0.0921-0.5112 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3531 -31.3531 -29.0054 -29.0054 -28.7278 -28.7278 -28.7104 -28.7104 -26.5692 -26.5692 -26.5339 -26.5339 -14.4131 -14.4131 -14.2631 -14.2631 -8.7380 -8.7380 -6.7173 -6.7173 -4.1716 -4.1716 -2.7047 -2.7047 -2.4999 -2.4999 -0.0621 -0.0621 0.9625 0.9625 2.9028 2.9028 5.3645 5.3645 6.7271 6.7271 8.7784 8.7784 9.4668 9.4668 14.3019 14.3019 14.5896 14.5896 15.0007 15.0007 16.1598 16.1598 17.6561 17.6561 19.3198 19.3198 19.3996 19.3996 20.9443 20.9443 21.4328 21.4328 k = 0.4247-0.0938-0.5203 ( 2581 PWs) bands (ev): -62.0446 -62.0446 -31.3524 -31.3524 -29.0057 -29.0057 -28.7282 -28.7282 -28.7106 -28.7106 -26.5686 -26.5686 -26.5341 -26.5341 -14.4167 -14.4167 -14.2610 -14.2610 -8.7387 -8.7387 -6.7247 -6.7247 -4.1773 -4.1773 -2.7176 -2.7176 -2.4672 -2.4672 -0.0661 -0.0661 0.9762 0.9762 2.9227 2.9227 5.3036 5.3036 6.7530 6.7530 8.7888 8.7888 9.4660 9.4660 14.3114 14.3114 14.5651 14.5651 14.9781 14.9781 16.2056 16.2056 17.6540 17.6540 19.3585 19.3585 19.3884 19.3884 20.8981 20.8981 21.3945 21.3945 k = 0.5753 0.3078-0.1846 ( 2581 PWs) bands (ev): -62.0446 -62.0446 -31.3524 -31.3524 -29.0057 -29.0057 -28.7282 -28.7282 -28.7106 -28.7106 -26.5686 -26.5686 -26.5341 -26.5341 -14.4167 -14.4167 -14.2610 -14.2610 -8.7387 -8.7387 -6.7247 -6.7247 -4.1773 -4.1773 -2.7176 -2.7176 -2.4672 -2.4672 -0.0662 -0.0662 0.9762 0.9762 2.9227 2.9227 5.3036 5.3036 6.7530 6.7530 8.7888 8.7888 9.4660 9.4660 14.3114 14.3114 14.5651 14.5651 14.9781 14.9781 16.2056 16.2056 17.6540 17.6540 19.3585 19.3585 19.3884 19.3884 20.8981 20.8981 21.3945 21.3945 k = 0.5685 0.3164-0.1846 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3519 -31.3519 -29.0060 -29.0060 -28.7286 -28.7286 -28.7108 -28.7108 -26.5680 -26.5680 -26.5343 -26.5343 -14.4198 -14.4198 -14.2592 -14.2592 -8.7393 -8.7393 -6.7309 -6.7309 -4.1824 -4.1824 -2.7284 -2.7284 -2.4388 -2.4388 -0.0696 -0.0696 0.9878 0.9878 2.9412 2.9412 5.2499 5.2499 6.7749 6.7749 8.7977 8.7977 9.4650 9.4650 14.3213 14.3213 14.5444 14.5444 14.9569 14.9569 16.2466 16.2466 17.6502 17.6502 19.3227 19.3227 19.4543 19.4543 20.8533 20.8533 21.3603 21.3603 k = 0.5616 0.3249-0.1846 ( 2583 PWs) bands (ev): -62.0446 -62.0446 -31.3514 -31.3514 -29.0062 -29.0062 -28.7290 -28.7290 -28.7110 -28.7110 -26.5675 -26.5675 -26.5344 -26.5344 -14.4227 -14.4227 -14.2575 -14.2575 -8.7399 -8.7399 -6.7366 -6.7366 -4.1872 -4.1872 -2.7382 -2.7382 -2.4123 -2.4123 -0.0727 -0.0727 0.9985 0.9985 2.9595 2.9595 5.1989 5.1989 6.7950 6.7950 8.8059 8.8059 9.4636 9.4636 14.3322 14.3322 14.5254 14.5254 14.9356 14.9356 16.2860 16.2860 17.6451 17.6451 19.2889 19.2889 19.5221 19.5221 20.8063 20.8063 21.3277 21.3277 k = 0.5548 0.3334-0.1846 ( 2577 PWs) bands (ev): -62.0446 -62.0446 -31.3509 -31.3509 -29.0065 -29.0065 -28.7293 -28.7293 -28.7111 -28.7111 -26.5670 -26.5670 -26.5345 -26.5345 -14.4253 -14.4253 -14.2560 -14.2560 -8.7405 -8.7405 -6.7416 -6.7416 -4.1918 -4.1918 -2.7470 -2.7470 -2.3880 -2.3880 -0.0756 -0.0756 1.0081 1.0081 2.9774 2.9774 5.1513 5.1513 6.8131 6.8131 8.8133 8.8133 9.4621 9.4621 14.3437 14.3437 14.5082 14.5082 14.9146 14.9146 16.3234 16.3234 17.6394 17.6394 19.2574 19.2574 19.5910 19.5910 20.7576 20.7576 21.2972 21.2972 k = 0.5479 0.3419-0.1846 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3505 -31.3505 -29.0067 -29.0067 -28.7296 -28.7296 -28.7113 -28.7113 -26.5666 -26.5666 -26.5347 -26.5347 -14.4276 -14.4276 -14.2547 -14.2547 -8.7410 -8.7410 -6.7462 -6.7462 -4.1960 -4.1960 -2.7549 -2.7549 -2.3660 -2.3660 -0.0782 -0.0782 1.0167 1.0167 2.9945 2.9945 5.1075 5.1075 6.8292 6.8292 8.8200 8.8200 9.4606 9.4606 14.3555 14.3555 14.4929 14.4929 14.8942 14.8942 16.3580 16.3580 17.6334 17.6334 19.2285 19.2285 19.6602 19.6602 20.7073 20.7073 21.2691 21.2691 k = 0.5411 0.3505-0.1846 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3501 -31.3501 -29.0069 -29.0069 -28.7299 -28.7299 -28.7114 -28.7114 -26.5662 -26.5662 -26.5347 -26.5347 -14.4296 -14.4296 -14.2535 -14.2535 -8.7414 -8.7414 -6.7501 -6.7501 -4.1997 -4.1997 -2.7617 -2.7617 -2.3465 -2.3465 -0.0805 -0.0805 1.0242 1.0242 3.0103 3.0103 5.0680 5.0680 6.8432 6.8432 8.8259 8.8259 9.4591 9.4591 14.3673 14.3673 14.4795 14.4795 14.8750 14.8750 16.3895 16.3895 17.6276 17.6276 19.2026 19.2026 19.7289 19.7289 20.6559 20.6559 21.2439 21.2439 k = 0.5342 0.3590-0.1846 ( 2580 PWs) bands (ev): -62.0446 -62.0446 -31.3498 -31.3498 -29.0070 -29.0070 -28.7301 -28.7301 -28.7115 -28.7115 -26.5659 -26.5659 -26.5348 -26.5348 -14.4314 -14.4314 -14.2524 -14.2524 -8.7418 -8.7418 -6.7535 -6.7535 -4.2030 -4.2030 -2.7674 -2.7674 -2.3298 -2.3298 -0.0825 -0.0825 1.0306 1.0306 3.0246 3.0246 5.0335 5.0335 6.8552 6.8552 8.8309 8.8309 9.4577 9.4577 14.3786 14.3786 14.4681 14.4681 14.8572 14.8572 16.4171 16.4171 17.6222 17.6222 19.1799 19.1799 19.7957 19.7957 20.6042 20.6042 21.2219 21.2219 k = 0.5274 0.3675-0.1846 ( 2576 PWs) bands (ev): -62.0446 -62.0446 -31.3496 -31.3496 -29.0072 -29.0072 -28.7303 -28.7303 -28.7115 -28.7115 -26.5656 -26.5656 -26.5349 -26.5349 -14.4328 -14.4328 -14.2516 -14.2516 -8.7422 -8.7422 -6.7563 -6.7563 -4.2057 -4.2057 -2.7722 -2.7722 -2.3160 -2.3160 -0.0840 -0.0840 1.0359 1.0359 3.0370 3.0370 5.0045 5.0045 6.8650 6.8650 8.8351 8.8351 9.4564 9.4564 14.3890 14.3890 14.4587 14.4587 14.8416 14.8416 16.4405 16.4405 17.6174 17.6174 19.1608 19.1608 19.8593 19.8593 20.5533 20.5533 21.2035 21.2035 k = 0.5205 0.3761-0.1846 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3494 -31.3494 -29.0073 -29.0073 -28.7305 -28.7305 -28.7116 -28.7116 -26.5654 -26.5654 -26.5349 -26.5349 -14.4340 -14.4340 -14.2509 -14.2509 -8.7425 -8.7425 -6.7584 -6.7584 -4.2078 -4.2078 -2.7759 -2.7759 -2.3050 -2.3050 -0.0853 -0.0853 1.0400 1.0400 3.0470 3.0470 4.9813 4.9813 6.8727 6.8727 8.8383 8.8383 9.4554 9.4554 14.3979 14.3979 14.4514 14.4514 14.8285 14.8285 16.4592 16.4592 17.6135 17.6135 19.1456 19.1456 19.9174 19.9174 20.5054 20.5054 21.1889 21.1889 k = 0.5137 0.3846-0.1846 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3492 -31.3492 -29.0074 -29.0074 -28.7306 -28.7306 -28.7116 -28.7116 -26.5652 -26.5652 -26.5350 -26.5350 -14.4348 -14.4348 -14.2505 -14.2505 -8.7426 -8.7426 -6.7600 -6.7600 -4.2094 -4.2094 -2.7785 -2.7785 -2.2972 -2.2972 -0.0862 -0.0862 1.0430 1.0430 3.0544 3.0544 4.9645 4.9645 6.8782 6.8782 8.8407 8.8407 9.4546 9.4546 14.4048 14.4048 14.4461 14.4461 14.8187 14.8187 16.4729 16.4729 17.6106 17.6106 19.1346 19.1346 19.9664 19.9664 20.4638 20.4638 21.1783 21.1783 k = 0.5068 0.3931-0.1846 ( 2580 PWs) bands (ev): -62.0446 -62.0446 -31.3492 -31.3492 -29.0074 -29.0074 -28.7307 -28.7307 -28.7117 -28.7117 -26.5652 -26.5652 -26.5350 -26.5350 -14.4353 -14.4353 -14.2502 -14.2502 -8.7428 -8.7428 -6.7609 -6.7609 -4.2103 -4.2103 -2.7801 -2.7801 -2.2924 -2.2924 -0.0868 -0.0868 1.0447 1.0447 3.0589 3.0589 4.9542 4.9542 6.8815 6.8815 8.8421 8.8421 9.4542 9.4542 14.4091 14.4091 14.4430 14.4430 14.8126 14.8126 16.4812 16.4812 17.6088 17.6088 19.1279 19.1279 20.0006 20.0006 20.4341 20.4341 21.1719 21.1719 k = 0.5000 0.4016-0.1846 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3491 -31.3491 -29.0074 -29.0074 -28.7307 -28.7307 -28.7117 -28.7117 -26.5652 -26.5652 -26.5350 -26.5350 -14.4355 -14.4355 -14.2501 -14.2501 -8.7428 -8.7428 -6.7612 -6.7612 -4.2106 -4.2106 -2.7806 -2.7806 -2.2909 -2.2909 -0.0869 -0.0869 1.0453 1.0453 3.0605 3.0605 4.9508 4.9508 6.8826 6.8826 8.8426 8.8426 9.4540 9.4540 14.4106 14.4106 14.4419 14.4419 14.8105 14.8105 16.4840 16.4840 17.6082 17.6082 19.1256 19.1256 20.0132 20.0132 20.4230 20.4230 21.1698 21.1698 k = 0.5000 0.4016-0.1846 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3491 -31.3491 -29.0074 -29.0074 -28.7307 -28.7307 -28.7117 -28.7117 -26.5652 -26.5652 -26.5350 -26.5350 -14.4355 -14.4355 -14.2501 -14.2501 -8.7428 -8.7428 -6.7612 -6.7612 -4.2106 -4.2106 -2.7806 -2.7806 -2.2909 -2.2909 -0.0869 -0.0869 1.0453 1.0453 3.0605 3.0605 4.9508 4.9508 6.8826 6.8826 8.8426 8.8426 9.4540 9.4540 14.4106 14.4106 14.4419 14.4419 14.8105 14.8105 16.4840 16.4840 17.6082 17.6082 19.1256 19.1256 20.0132 20.0132 20.4230 20.4230 21.1698 21.1698 k = 0.5025 0.4036-0.1734 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3491 -31.3491 -29.0074 -29.0074 -28.7307 -28.7307 -28.7117 -28.7117 -26.5652 -26.5652 -26.5351 -26.5351 -14.4354 -14.4354 -14.2502 -14.2502 -8.7429 -8.7429 -6.7616 -6.7616 -4.2112 -4.2112 -2.7799 -2.7799 -2.2903 -2.2903 -0.0856 -0.0856 1.0450 1.0450 3.0609 3.0609 4.9505 4.9505 6.8812 6.8812 8.8432 8.8432 9.4535 9.4535 14.4105 14.4105 14.4407 14.4407 14.8108 14.8108 16.4840 16.4840 17.6109 17.6109 19.1261 19.1261 20.0147 20.0147 20.4230 20.4230 21.1694 21.1694 k = 0.5050 0.4057-0.1622 ( 2574 PWs) bands (ev): -62.0446 -62.0446 -31.3491 -31.3491 -29.0074 -29.0074 -28.7306 -28.7306 -28.7116 -28.7116 -26.5651 -26.5651 -26.5352 -26.5352 -14.4352 -14.4352 -14.2506 -14.2506 -8.7432 -8.7432 -6.7628 -6.7628 -4.2128 -4.2128 -2.7779 -2.7779 -2.2887 -2.2887 -0.0817 -0.0817 1.0440 1.0440 3.0620 3.0620 4.9497 4.9497 6.8768 6.8768 8.8450 8.8450 9.4520 9.4520 14.4102 14.4102 14.4371 14.4371 14.8119 14.8119 16.4840 16.4840 17.6188 17.6188 19.1277 19.1277 20.0193 20.0193 20.4228 20.4228 21.1682 21.1682 k = 0.5075 0.4077-0.1510 ( 2576 PWs) bands (ev): -62.0446 -62.0446 -31.3490 -31.3490 -29.0073 -29.0073 -28.7306 -28.7306 -28.7116 -28.7116 -26.5652 -26.5652 -26.5354 -26.5354 -14.4348 -14.4348 -14.2512 -14.2512 -8.7438 -8.7438 -6.7650 -6.7650 -4.2156 -4.2156 -2.7745 -2.7745 -2.2860 -2.2860 -0.0753 -0.0753 1.0423 1.0423 3.0640 3.0640 4.9483 4.9483 6.8695 6.8695 8.8480 8.8480 9.4494 9.4494 14.4098 14.4098 14.4310 14.4310 14.8138 14.8138 16.4840 16.4840 17.6319 17.6319 19.1305 19.1305 20.0270 20.0270 20.4224 20.4224 21.1661 21.1661 k = 0.5100 0.4097-0.1398 ( 2574 PWs) bands (ev): -62.0446 -62.0446 -31.3489 -31.3489 -29.0073 -29.0073 -28.7305 -28.7305 -28.7115 -28.7115 -26.5652 -26.5652 -26.5357 -26.5357 -14.4344 -14.4344 -14.2520 -14.2520 -8.7445 -8.7445 -6.7679 -6.7679 -4.2196 -4.2196 -2.7698 -2.7698 -2.2822 -2.2822 -0.0663 -0.0663 1.0400 1.0400 3.0667 3.0667 4.9463 4.9463 6.8594 6.8594 8.8521 8.8521 9.4459 9.4459 14.4091 14.4091 14.4222 14.4222 14.8170 14.8170 16.4841 16.4841 17.6498 17.6498 19.1344 19.1344 20.0376 20.0376 20.4219 20.4219 21.1631 21.1631 k = 0.5126 0.4117-0.1286 ( 2574 PWs) bands (ev): -62.0446 -62.0446 -31.3488 -31.3488 -29.0072 -29.0072 -28.7304 -28.7304 -28.7114 -28.7114 -26.5652 -26.5652 -26.5361 -26.5361 -14.4337 -14.4337 -14.2531 -14.2531 -8.7455 -8.7455 -6.7717 -6.7717 -4.2246 -4.2246 -2.7636 -2.7636 -2.2774 -2.2774 -0.0550 -0.0550 1.0370 1.0370 3.0703 3.0703 4.9438 4.9438 6.8464 6.8464 8.8574 8.8574 9.4414 9.4414 14.4073 14.4073 14.4115 14.4115 14.8218 14.8218 16.4841 16.4841 17.6724 17.6724 19.1397 19.1397 20.0513 20.0513 20.4212 20.4212 21.1593 21.1593 k = 0.5151 0.4137-0.1174 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3487 -31.3487 -29.0071 -29.0071 -28.7303 -28.7303 -28.7113 -28.7113 -26.5652 -26.5652 -26.5366 -26.5366 -14.4330 -14.4330 -14.2545 -14.2545 -8.7467 -8.7467 -6.7762 -6.7762 -4.2308 -4.2308 -2.7561 -2.7561 -2.2716 -2.2716 -0.0413 -0.0413 1.0333 1.0333 3.0746 3.0746 4.9407 4.9407 6.8306 6.8306 8.8638 8.8638 9.4359 9.4359 14.3948 14.3948 14.4083 14.4083 14.8285 14.8285 16.4842 16.4842 17.6991 17.6991 19.1465 19.1465 20.0677 20.0677 20.4203 20.4203 21.1546 21.1546 k = 0.5176 0.4157-0.1063 ( 2582 PWs) bands (ev): -62.0446 -62.0446 -31.3486 -31.3486 -29.0070 -29.0070 -28.7302 -28.7302 -28.7112 -28.7112 -26.5652 -26.5652 -26.5372 -26.5372 -14.4321 -14.4321 -14.2560 -14.2560 -8.7481 -8.7481 -6.7815 -6.7815 -4.2381 -4.2381 -2.7471 -2.7471 -2.2647 -2.2647 -0.0253 -0.0253 1.0291 1.0291 3.0796 3.0796 4.9371 4.9371 6.8121 6.8121 8.8711 8.8711 9.4295 9.4295 14.3770 14.3770 14.4072 14.4072 14.8375 14.8375 16.4843 16.4843 17.7295 17.7295 19.1550 19.1550 20.0871 20.0871 20.4191 20.4191 21.1489 21.1489 k = 0.5201 0.4178-0.0951 ( 2578 PWs) bands (ev): -62.0446 -62.0446 -31.3484 -31.3484 -29.0069 -29.0069 -28.7301 -28.7301 -28.7111 -28.7111 -26.5652 -26.5652 -26.5378 -26.5378 -14.4311 -14.4311 -14.2578 -14.2578 -8.7498 -8.7498 -6.7875 -6.7875 -4.2466 -4.2466 -2.7366 -2.7366 -2.2568 -2.2568 -0.0072 -0.0072 1.0243 1.0243 3.0855 3.0855 4.9330 4.9330 6.7909 6.7909 8.8795 8.8795 9.4222 9.4222 14.3559 14.3559 14.4062 14.4062 14.8489 14.8489 16.4845 16.4845 17.7632 17.7632 19.1655 19.1655 20.1091 20.1091 20.4177 20.4177 21.1424 21.1424 k = 0.5226 0.4198-0.0839 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3482 -31.3482 -29.0067 -29.0067 -28.7299 -28.7299 -28.7109 -28.7109 -26.5653 -26.5653 -26.5385 -26.5385 -14.4300 -14.4300 -14.2598 -14.2598 -8.7516 -8.7516 -6.7942 -6.7942 -4.2561 -4.2561 -2.7247 -2.7247 -2.2479 -2.2479 0.0130 0.0130 1.0190 1.0190 3.0921 3.0921 4.9283 4.9283 6.7671 6.7671 8.8887 8.8887 9.4139 9.4139 14.3318 14.3318 14.4052 14.4052 14.8628 14.8628 16.4847 16.4847 17.7995 17.7995 19.1783 19.1783 20.1337 20.1337 20.4160 20.4160 21.1349 21.1349 k = 0.5251 0.4218-0.0727 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3481 -31.3481 -29.0066 -29.0066 -28.7298 -28.7298 -28.7107 -28.7107 -26.5653 -26.5653 -26.5393 -26.5393 -14.4287 -14.4287 -14.2620 -14.2620 -8.7536 -8.7536 -6.8015 -6.8015 -4.2667 -4.2667 -2.7113 -2.7113 -2.2381 -2.2381 0.0350 0.0350 1.0131 1.0131 3.0995 3.0995 4.9231 4.9231 6.7408 6.7408 8.8988 8.8988 9.4050 9.4050 14.3049 14.3049 14.4043 14.4043 14.8795 14.8795 16.4850 16.4850 17.8378 17.8378 19.1936 19.1936 20.1608 20.1608 20.4139 20.4139 21.1265 21.1265 k = 0.5276 0.4238-0.0615 ( 2585 PWs) bands (ev): -62.0446 -62.0446 -31.3479 -31.3479 -29.0064 -29.0064 -28.7296 -28.7296 -28.7106 -28.7106 -26.5653 -26.5653 -26.5401 -26.5401 -14.4274 -14.4274 -14.2643 -14.2643 -8.7558 -8.7558 -6.8094 -6.8094 -4.2783 -4.2783 -2.6964 -2.6964 -2.2273 -2.2273 0.0587 0.0587 1.0067 1.0067 3.1077 3.1077 4.9174 4.9174 6.7120 6.7120 8.9096 8.9096 9.3951 9.3951 14.2754 14.2754 14.4034 14.4034 14.8986 14.8986 16.4854 16.4854 17.8777 17.8777 19.2119 19.2119 20.1903 20.1903 20.4113 20.4113 21.1171 21.1171 k = 0.5301 0.4258-0.0503 ( 2584 PWs) bands (ev): -62.0446 -62.0446 -31.3476 -31.3476 -29.0062 -29.0062 -28.7294 -28.7294 -28.7103 -28.7103 -26.5653 -26.5653 -26.5410 -26.5410 -14.4259 -14.4259 -14.2669 -14.2669 -8.7581 -8.7581 -6.8178 -6.8178 -4.2910 -4.2910 -2.6799 -2.6799 -2.2157 -2.2157 0.0840 0.0840 0.9997 0.9997 3.1166 3.1166 4.9113 4.9113 6.6809 6.6809 8.9211 8.9211 9.3846 9.3846 14.2438 14.2438 14.4026 14.4026 14.9203 14.9203 16.4858 16.4858 17.9183 17.9183 19.2334 19.2334 20.2220 20.2220 20.4082 20.4082 21.1069 21.1069 k = 0.5326 0.4278-0.0391 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3474 -31.3474 -29.0061 -29.0061 -28.7292 -28.7292 -28.7101 -28.7101 -26.5654 -26.5654 -26.5419 -26.5419 -14.4243 -14.4243 -14.2697 -14.2697 -8.7607 -8.7607 -6.8267 -6.8267 -4.3046 -4.3046 -2.6620 -2.6620 -2.2032 -2.2032 0.1108 0.1108 0.9924 0.9924 3.1263 3.1263 4.9047 4.9047 6.6474 6.6474 8.9331 8.9331 9.3734 9.3734 14.2102 14.2102 14.4020 14.4020 14.9444 14.9444 16.4863 16.4863 17.9593 17.9593 19.2585 19.2585 20.2556 20.2556 20.4044 20.4044 21.0958 21.0958 k = 0.5352 0.4299-0.0279 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3472 -31.3472 -29.0058 -29.0058 -28.7290 -28.7290 -28.7099 -28.7099 -26.5654 -26.5654 -26.5429 -26.5429 -14.4227 -14.4227 -14.2726 -14.2726 -8.7633 -8.7633 -6.8360 -6.8360 -4.3191 -4.3191 -2.6426 -2.6426 -2.1898 -2.1898 0.1387 0.1387 0.9846 0.9846 3.1367 3.1367 4.8976 4.8976 6.6118 6.6118 8.9457 8.9457 9.3616 9.3616 14.1751 14.1751 14.4015 14.4015 14.9708 14.9708 16.4869 16.4869 17.9999 17.9999 19.2875 19.2875 20.2912 20.2912 20.3999 20.3999 21.0839 21.0839 k = 0.5377 0.4319-0.0167 ( 2586 PWs) bands (ev): -62.0446 -62.0446 -31.3469 -31.3469 -29.0056 -29.0056 -28.7287 -28.7287 -28.7096 -28.7096 -26.5654 -26.5654 -26.5440 -26.5440 -14.4209 -14.4209 -14.2756 -14.2756 -8.7662 -8.7662 -6.8456 -6.8456 -4.3345 -4.3345 -2.6219 -2.6219 -2.1757 -2.1757 0.1678 0.1678 0.9764 0.9764 3.1479 3.1479 4.8901 4.8901 6.5741 6.5741 8.9587 8.9587 9.3491 9.3491 14.1386 14.1386 14.4012 14.4012 14.9993 14.9993 16.4876 16.4876 18.0397 18.0397 19.3207 19.3207 20.3285 20.3285 20.3945 20.3945 21.0714 21.0714 k = 0.5402 0.4339-0.0055 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3467 -31.3467 -29.0054 -29.0054 -28.7285 -28.7285 -28.7093 -28.7093 -26.5654 -26.5654 -26.5450 -26.5450 -14.4191 -14.4191 -14.2788 -14.2788 -8.7691 -8.7691 -6.8556 -6.8556 -4.3507 -4.3507 -2.5997 -2.5997 -2.1609 -2.1609 0.1978 0.1978 0.9679 0.9679 3.1599 3.1599 4.8821 4.8821 6.5344 6.5344 8.9720 8.9720 9.3361 9.3361 14.1010 14.1010 14.4012 14.4012 15.0297 15.0297 16.4884 16.4884 18.0783 18.0783 19.3581 19.3581 20.3671 20.3671 20.3881 20.3881 21.0584 21.0584 k = 0.5427 0.4359 0.0056 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3464 -31.3464 -29.0052 -29.0052 -28.7283 -28.7283 -28.7090 -28.7090 -26.5655 -26.5655 -26.5461 -26.5461 -14.4172 -14.4172 -14.2821 -14.2821 -8.7722 -8.7722 -6.8657 -6.8657 -4.3676 -4.3676 -2.5762 -2.5762 -2.1453 -2.1453 0.2285 0.2285 0.9590 0.9590 3.1727 3.1727 4.8737 4.8737 6.4927 6.4927 8.9855 8.9855 9.3227 9.3227 14.0627 14.0627 14.4015 14.4015 15.0620 15.0620 16.4894 16.4894 18.1153 18.1153 19.4000 19.4000 20.3800 20.3800 20.4075 20.4075 21.0451 21.0451 k = 0.5452 0.4379 0.0168 ( 2591 PWs) bands (ev): -62.0446 -62.0446 -31.3462 -31.3462 -29.0050 -29.0050 -28.7280 -28.7280 -28.7088 -28.7088 -26.5655 -26.5655 -26.5472 -26.5472 -14.4153 -14.4153 -14.2855 -14.2855 -8.7754 -8.7754 -6.8761 -6.8761 -4.3851 -4.3851 -2.5515 -2.5515 -2.1291 -2.1291 0.2597 0.2597 0.9499 0.9499 3.1862 3.1862 4.8650 4.8650 6.4492 6.4492 8.9992 8.9992 9.3089 9.3089 14.0237 14.0237 14.4021 14.4021 15.0960 15.0960 16.4904 16.4904 18.1505 18.1505 19.4462 19.4462 20.3709 20.3709 20.4486 20.4486 21.0316 21.0316 k = 0.5477 0.4400 0.0280 ( 2591 PWs) bands (ev): -62.0446 -62.0446 -31.3459 -31.3459 -29.0047 -29.0047 -28.7278 -28.7278 -28.7084 -28.7084 -26.5655 -26.5655 -26.5484 -26.5484 -14.4132 -14.4132 -14.2890 -14.2890 -8.7787 -8.7787 -6.8866 -6.8866 -4.4032 -4.4032 -2.5256 -2.5256 -2.1123 -2.1123 0.2914 0.2914 0.9405 0.9405 3.2005 3.2005 4.8559 4.8559 6.4040 6.4040 9.0129 9.0129 9.2948 9.2948 13.9844 13.9844 14.4031 14.4031 15.1316 15.1316 16.4916 16.4916 18.1839 18.1839 19.4966 19.4966 20.3602 20.3602 20.4906 20.4906 21.0183 21.0183 k = 0.5502 0.4420 0.0392 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3457 -31.3457 -29.0044 -29.0044 -28.7275 -28.7275 -28.7081 -28.7081 -26.5655 -26.5655 -26.5495 -26.5495 -14.4112 -14.4112 -14.2926 -14.2926 -8.7821 -8.7821 -6.8972 -6.8972 -4.4217 -4.4217 -2.4986 -2.4986 -2.0950 -2.0950 0.3233 0.3233 0.9309 0.9309 3.2156 3.2156 4.8464 4.8464 6.3572 6.3572 9.0266 9.0266 9.2804 9.2804 13.9449 13.9449 14.4045 14.4045 15.1686 15.1686 16.4930 16.4930 18.2153 18.2153 19.5507 19.5507 20.3477 20.3477 20.5334 20.5334 21.0055 21.0055 k = 0.5527 0.4440 0.0504 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3454 -31.3454 -29.0042 -29.0042 -28.7273 -28.7273 -28.7078 -28.7078 -26.5655 -26.5655 -26.5506 -26.5506 -14.4091 -14.4091 -14.2962 -14.2962 -8.7855 -8.7855 -6.9078 -6.9078 -4.4407 -4.4407 -2.4706 -2.4706 -2.0772 -2.0772 0.3552 0.3552 0.9212 0.9212 3.2316 3.2316 4.8367 4.8367 6.3088 6.3088 9.0402 9.0402 9.2658 9.2658 13.9053 13.9053 14.4064 14.4064 15.2069 15.2069 16.4945 16.4945 18.2448 18.2448 19.6078 19.6078 20.3334 20.3334 20.5766 20.5766 20.9934 20.9934 k = 0.5552 0.4460 0.0616 ( 2587 PWs) bands (ev): -62.0445 -62.0445 -31.3452 -31.3452 -29.0039 -29.0039 -28.7270 -28.7270 -28.7074 -28.7074 -26.5655 -26.5655 -26.5518 -26.5518 -14.4069 -14.4069 -14.3000 -14.3000 -8.7891 -8.7891 -6.9183 -6.9183 -4.4599 -4.4599 -2.4418 -2.4418 -2.0589 -2.0589 0.3871 0.3871 0.9113 0.9113 3.2483 3.2483 4.8266 4.8266 6.2589 6.2589 9.0536 9.0536 9.2511 9.2511 13.8659 13.8659 14.4088 14.4088 15.2464 15.2464 16.4961 16.4961 18.2728 18.2728 19.6672 19.6672 20.3173 20.3173 20.6201 20.6201 20.9825 20.9825 k = 0.5578 0.4480 0.0728 ( 2587 PWs) bands (ev): -62.0445 -62.0445 -31.3450 -31.3450 -29.0037 -29.0037 -28.7268 -28.7268 -28.7071 -28.7071 -26.5655 -26.5655 -26.5529 -26.5529 -14.4047 -14.4047 -14.3037 -14.3037 -8.7926 -8.7926 -6.9288 -6.9288 -4.4794 -4.4794 -2.4121 -2.4121 -2.0403 -2.0403 0.4187 0.4187 0.9014 0.9014 3.2658 3.2658 4.8162 4.8162 6.2077 6.2077 9.0667 9.0667 9.2363 9.2363 13.8267 13.8267 14.4117 14.4117 15.2869 15.2869 16.4979 16.4979 18.2992 18.2992 19.7275 19.7275 20.2996 20.2996 20.6635 20.6635 20.9730 20.9730 k = 0.5603 0.4500 0.0840 ( 2587 PWs) bands (ev): -62.0445 -62.0445 -31.3448 -31.3448 -29.0034 -29.0034 -28.7265 -28.7265 -28.7067 -28.7067 -26.5655 -26.5655 -26.5540 -26.5540 -14.4026 -14.4026 -14.3075 -14.3075 -8.7962 -8.7962 -6.9391 -6.9391 -4.4991 -4.4991 -2.3817 -2.3817 -2.0214 -2.0214 0.4498 0.4498 0.8913 0.8913 3.2842 3.2842 4.8056 4.8056 6.1553 6.1553 9.0794 9.0794 9.2215 9.2215 13.7878 13.7878 14.4151 14.4151 15.3283 15.3283 16.4998 16.4998 18.3243 18.3243 19.7871 19.7871 20.2811 20.2811 20.7067 20.7067 20.9654 20.9654 k = 0.5628 0.4521 0.0952 ( 2587 PWs) bands (ev): -62.0445 -62.0445 -31.3446 -31.3446 -29.0032 -29.0032 -28.7263 -28.7263 -28.7063 -28.7063 -26.5655 -26.5655 -26.5551 -26.5551 -14.4004 -14.4004 -14.3112 -14.3112 -8.7999 -8.7999 -6.9493 -6.9493 -4.5188 -4.5188 -2.3507 -2.3507 -2.0022 -2.0022 0.4805 0.4805 0.8813 0.8813 3.3034 3.3034 4.7947 4.7947 6.1016 6.1016 9.0917 9.0917 9.2068 9.2068 13.7494 13.7494 14.4191 14.4191 15.3706 15.3706 16.5019 16.5019 18.3485 18.3485 19.8433 19.8433 20.2627 20.2627 20.7495 20.7495 20.9601 20.9601 k = 0.5653 0.4541 0.1064 ( 2585 PWs) bands (ev): -62.0445 -62.0445 -31.3444 -31.3444 -29.0029 -29.0029 -28.7261 -28.7261 -28.7060 -28.7060 -26.5655 -26.5655 -26.5561 -26.5561 -14.3982 -14.3982 -14.3150 -14.3150 -8.8034 -8.8034 -6.9591 -6.9591 -4.5385 -4.5385 -2.3192 -2.3192 -1.9829 -1.9829 0.5104 0.5104 0.8712 0.8712 3.3235 3.3235 4.7836 4.7836 6.0468 6.0468 9.1034 9.1034 9.1923 9.1923 13.7115 13.7115 14.4237 14.4237 15.4135 15.4135 16.5041 16.5041 18.3717 18.3717 19.8925 19.8925 20.2465 20.2465 20.7915 20.7915 20.9576 20.9576 k = 0.5678 0.4561 0.1175 ( 2581 PWs) bands (ev): -62.0445 -62.0445 -31.3443 -31.3443 -29.0026 -29.0026 -28.7258 -28.7258 -28.7056 -28.7056 -26.5654 -26.5654 -26.5570 -26.5570 -14.3961 -14.3961 -14.3187 -14.3187 -8.8070 -8.8070 -6.9687 -6.9687 -4.5581 -4.5581 -2.2874 -2.2874 -1.9635 -1.9635 0.5396 0.5396 0.8613 0.8613 3.3445 3.3445 4.7723 4.7723 5.9911 5.9911 9.1145 9.1145 9.1779 9.1779 13.6743 13.6743 14.4289 14.4289 15.4571 15.4571 16.5065 16.5065 18.3942 18.3942 19.9294 19.9294 20.2355 20.2355 20.8326 20.8326 20.9587 20.9587 k = 0.5703 0.4581 0.1287 ( 2586 PWs) bands (ev): -62.0445 -62.0445 -31.3442 -31.3442 -29.0024 -29.0024 -28.7256 -28.7256 -28.7052 -28.7052 -26.5654 -26.5654 -26.5580 -26.5580 -14.3940 -14.3940 -14.3225 -14.3225 -8.8106 -8.8106 -6.9780 -6.9780 -4.5777 -4.5777 -2.2553 -2.2553 -1.9440 -1.9440 0.5678 0.5678 0.8514 0.8514 3.3664 3.3664 4.7608 4.7608 5.9344 5.9344 9.1250 9.1250 9.1638 9.1638 13.6377 13.6377 14.4347 14.4347 15.5012 15.5012 16.5090 16.5090 18.4160 18.4160 19.9487 19.9487 20.2323 20.2323 20.8725 20.8725 20.9641 20.9641 k = 0.5728 0.4601 0.1399 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3442 -31.3442 -29.0022 -29.0022 -28.7254 -28.7254 -28.7048 -28.7048 -26.5655 -26.5655 -26.5588 -26.5588 -14.3919 -14.3919 -14.3261 -14.3261 -8.8142 -8.8142 -6.9869 -6.9869 -4.5970 -4.5970 -2.2231 -2.2231 -1.9246 -1.9246 0.5949 0.5949 0.8417 0.8417 3.3892 3.3892 4.7492 4.7492 5.8769 5.8769 9.1347 9.1347 9.1501 9.1501 13.6019 13.6019 14.4411 14.4411 15.5457 15.5457 16.5116 16.5116 18.4371 18.4371 19.9481 19.9481 20.2356 20.2356 20.9111 20.9111 20.9751 20.9751 k = 0.5753 0.4621 0.1511 ( 2593 PWs) bands (ev): -62.0445 -62.0445 -31.3441 -31.3441 -29.0019 -29.0019 -28.7252 -28.7252 -28.7045 -28.7045 -26.5655 -26.5655 -26.5597 -26.5597 -14.3899 -14.3899 -14.3297 -14.3297 -8.8177 -8.8177 -6.9954 -6.9954 -4.6160 -4.6160 -2.1907 -2.1907 -1.9052 -1.9052 0.6208 0.6208 0.8321 0.8321 3.4129 3.4129 4.7375 4.7375 5.8187 5.8187 9.1368 9.1368 9.1436 9.1436 13.5670 13.5670 14.4480 14.4480 15.5906 15.5906 16.5144 16.5144 18.4574 18.4574 19.9304 19.9304 20.2393 20.2393 20.9481 20.9481 20.9922 20.9922 k = 0.5753 0.4621 0.1511 ( 2593 PWs) bands (ev): -62.0445 -62.0445 -31.3441 -31.3441 -29.0019 -29.0019 -28.7252 -28.7252 -28.7045 -28.7045 -26.5655 -26.5655 -26.5597 -26.5597 -14.3899 -14.3899 -14.3297 -14.3297 -8.8177 -8.8177 -6.9954 -6.9954 -4.6160 -4.6160 -2.1907 -2.1907 -1.9052 -1.9052 0.6208 0.6208 0.8321 0.8321 3.4129 3.4129 4.7375 4.7375 5.8187 5.8187 9.1368 9.1368 9.1436 9.1436 13.5670 13.5670 14.4480 14.4480 15.5906 15.5906 16.5144 16.5144 18.4574 18.4574 19.9304 19.9304 20.2393 20.2393 20.9481 20.9481 20.9922 20.9922 k = 0.5711 0.4588 0.1614 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3440 -31.3440 -29.0016 -29.0016 -28.7250 -28.7250 -28.7040 -28.7040 -26.5658 -26.5658 -26.5602 -26.5602 -14.3882 -14.3882 -14.3335 -14.3335 -8.8224 -8.8224 -7.0071 -7.0071 -4.6416 -4.6416 -2.1410 -2.1410 -1.8837 -1.8837 0.6418 0.6418 0.8328 0.8328 3.4500 3.4500 4.7155 4.7155 5.7406 5.7406 9.1341 9.1341 9.1412 9.1412 13.5202 13.5202 14.4578 14.4578 15.6482 15.6482 16.5194 16.5194 18.5096 18.5096 19.8608 19.8608 20.2319 20.2319 20.9767 20.9767 21.0153 21.0153 k = 0.5670 0.4554 0.1716 ( 2588 PWs) bands (ev): -62.0445 -62.0445 -31.3439 -31.3439 -29.0014 -29.0014 -28.7248 -28.7248 -28.7036 -28.7036 -26.5661 -26.5661 -26.5608 -26.5608 -14.3866 -14.3866 -14.3373 -14.3373 -8.8270 -8.8270 -7.0182 -7.0182 -4.6662 -4.6662 -2.0926 -2.0926 -1.8624 -1.8624 0.6620 0.6620 0.8333 0.8333 3.4889 3.4889 4.6939 4.6939 5.6614 5.6614 9.1314 9.1314 9.1385 9.1385 13.4747 13.4747 14.4677 14.4677 15.7087 15.7087 16.5246 16.5246 18.5573 18.5573 19.7760 19.7760 20.2383 20.2383 21.0036 21.0036 21.0369 21.0369 k = 0.5628 0.4521 0.1819 ( 2590 PWs) bands (ev): -62.0445 -62.0445 -31.3437 -31.3437 -29.0011 -29.0011 -28.7246 -28.7246 -28.7032 -28.7032 -26.5664 -26.5664 -26.5613 -26.5613 -14.3851 -14.3851 -14.3409 -14.3409 -8.8315 -8.8315 -7.0289 -7.0289 -4.6896 -4.6896 -2.0458 -2.0458 -1.8416 -1.8416 0.6814 0.6814 0.8336 0.8336 3.5298 3.5298 4.6727 4.6727 5.5814 5.5814 9.1285 9.1285 9.1354 9.1354 13.4307 13.4307 14.4778 14.4778 15.7718 15.7718 16.5297 16.5297 18.6004 18.6004 19.6824 19.6824 20.2522 20.2522 21.0287 21.0287 21.0560 21.0560 k = 0.5586 0.4487 0.1921 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3437 -31.3437 -29.0009 -29.0009 -28.7244 -28.7244 -28.7027 -28.7027 -26.5667 -26.5667 -26.5618 -26.5618 -14.3836 -14.3836 -14.3444 -14.3444 -8.8359 -8.8359 -7.0389 -7.0389 -4.7117 -4.7117 -2.0008 -2.0008 -1.8214 -1.8214 0.6998 0.6998 0.8338 0.8338 3.5727 3.5727 4.6520 4.6520 5.5008 5.5008 9.1256 9.1256 9.1321 9.1321 13.3886 13.3886 14.4879 14.4879 15.8370 15.8370 16.5348 16.5348 18.6390 18.6390 19.5838 19.5838 20.2699 20.2699 21.0518 21.0518 21.0719 21.0719 k = 0.5544 0.4453 0.2024 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0006 -29.0006 -28.7242 -28.7242 -28.7023 -28.7023 -26.5670 -26.5670 -26.5623 -26.5623 -14.3821 -14.3821 -14.3477 -14.3477 -8.8400 -8.8400 -7.0484 -7.0484 -4.7326 -4.7326 -1.9579 -1.9579 -1.8018 -1.8018 0.7173 0.7173 0.8339 0.8339 3.6176 3.6176 4.6321 4.6321 5.4197 5.4197 9.1227 9.1227 9.1286 9.1286 13.3485 13.3485 14.4978 14.4978 15.9041 15.9041 16.5398 16.5398 18.6733 18.6733 19.4825 19.4825 20.2896 20.2896 21.0724 21.0724 21.0849 21.0849 k = 0.5502 0.4420 0.2126 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0004 -29.0004 -28.7240 -28.7240 -28.7019 -28.7019 -26.5672 -26.5672 -26.5628 -26.5628 -14.3807 -14.3807 -14.3509 -14.3509 -8.8440 -8.8440 -7.0573 -7.0573 -4.7521 -4.7521 -1.9171 -1.9171 -1.7831 -1.7831 0.7337 0.7337 0.8339 0.8339 3.6645 3.6645 4.6130 4.6130 5.3385 5.3385 9.1198 9.1198 9.1251 9.1251 13.3107 13.3107 14.5075 14.5075 15.9725 15.9725 16.5447 16.5447 18.7035 18.7035 19.3801 19.3801 20.3099 20.3099 21.0890 21.0890 21.0981 21.0981 k = 0.5460 0.4386 0.2229 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -29.0001 -29.0001 -28.7238 -28.7238 -28.7015 -28.7015 -26.5675 -26.5675 -26.5632 -26.5632 -14.3794 -14.3794 -14.3538 -14.3538 -8.8478 -8.8478 -7.0656 -7.0656 -4.7701 -4.7701 -1.8788 -1.8788 -1.7653 -1.7653 0.7490 0.7490 0.8339 0.8339 3.7133 3.7133 4.5948 4.5948 5.2572 5.2572 9.1169 9.1169 9.1216 9.1216 13.2753 13.2753 14.5169 14.5169 16.0417 16.0417 16.5495 16.5495 18.7298 18.7298 19.2779 19.2779 20.3299 20.3299 21.1012 21.1012 21.1137 21.1137 k = 0.5419 0.4352 0.2332 ( 2593 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9999 -28.9999 -28.7237 -28.7237 -28.7011 -28.7011 -26.5677 -26.5677 -26.5636 -26.5636 -14.3782 -14.3782 -14.3566 -14.3566 -8.8513 -8.8513 -7.0732 -7.0732 -4.7868 -4.7868 -1.8432 -1.8432 -1.7487 -1.7487 0.7631 0.7631 0.8338 0.8338 3.7641 3.7641 4.5777 4.5777 5.1760 5.1760 9.1141 9.1141 9.1182 9.1182 13.2424 13.2424 14.5257 14.5257 16.1111 16.1111 16.5540 16.5540 18.7524 18.7524 19.1772 19.1772 20.3492 20.3492 21.1123 21.1124 21.1291 21.1291 k = 0.5377 0.4319 0.2434 ( 2593 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9997 -28.9997 -28.7235 -28.7235 -28.7008 -28.7008 -26.5679 -26.5679 -26.5640 -26.5640 -14.3771 -14.3771 -14.3591 -14.3591 -8.8545 -8.8545 -7.0801 -7.0801 -4.8019 -4.8019 -1.8102 -1.8102 -1.7332 -1.7332 0.7760 0.7760 0.8336 0.8336 3.8168 3.8168 4.5619 4.5619 5.0954 5.0954 9.1114 9.1114 9.1148 9.1148 13.2123 13.2123 14.5341 14.5341 16.1800 16.1800 16.5582 16.5582 18.7716 18.7716 19.0790 19.0790 20.3672 20.3672 21.1239 21.1239 21.1430 21.1430 k = 0.5335 0.4285 0.2537 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9995 -28.9995 -28.7234 -28.7234 -28.7004 -28.7004 -26.5681 -26.5681 -26.5643 -26.5643 -14.3761 -14.3761 -14.3613 -14.3613 -8.8575 -8.8575 -7.0863 -7.0863 -4.8156 -4.8156 -1.7803 -1.7803 -1.7190 -1.7190 0.7876 0.7876 0.8334 0.8334 3.8714 3.8714 4.5474 4.5474 5.0153 5.0153 9.1089 9.1089 9.1117 9.1117 13.1851 13.1851 14.5418 14.5418 16.2475 16.2475 16.5621 16.5621 18.7877 18.7877 18.9848 18.9848 20.3838 20.3838 21.1357 21.1357 21.1554 21.1554 k = 0.5293 0.4252 0.2639 ( 2587 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9993 -28.9993 -28.7232 -28.7232 -28.7001 -28.7001 -26.5683 -26.5683 -26.5645 -26.5645 -14.3753 -14.3753 -14.3632 -14.3632 -8.8602 -8.8602 -7.0919 -7.0919 -4.8276 -4.8276 -1.7536 -1.7536 -1.7062 -1.7062 0.7980 0.7980 0.8332 0.8332 3.9278 3.9278 4.5343 4.5343 4.9361 4.9361 9.1067 9.1067 9.1088 9.1088 13.1608 13.1608 14.5489 14.5489 16.3125 16.3125 16.5658 16.5658 18.8001 18.8001 18.8965 18.8965 20.3986 20.3986 21.1476 21.1476 21.1663 21.1663 k = 0.5251 0.4218 0.2742 ( 2589 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9992 -28.9992 -28.7231 -28.7231 -28.6998 -28.6998 -26.5685 -26.5685 -26.5648 -26.5648 -14.3747 -14.3747 -14.3648 -14.3648 -8.8625 -8.8625 -7.0967 -7.0967 -4.8382 -4.8382 -1.7302 -1.7302 -1.6949 -1.6949 0.8070 0.8070 0.8330 0.8330 3.9858 3.9858 4.5228 4.5228 4.8581 4.8581 9.1046 9.1046 9.1062 9.1062 13.1396 13.1396 14.5551 14.5551 16.3738 16.3738 16.5690 16.5690 18.7968 18.7968 18.8281 18.8281 20.4116 20.4116 21.1590 21.1590 21.1755 21.1755 k = 0.5209 0.4184 0.2844 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9990 -28.9990 -28.7231 -28.7231 -28.6996 -28.6996 -26.5687 -26.5687 -26.5650 -26.5650 -14.3742 -14.3742 -14.3661 -14.3661 -8.8645 -8.8645 -7.1008 -7.1008 -4.8471 -4.8471 -1.7101 -1.7101 -1.6851 -1.6851 0.8147 0.8147 0.8328 0.8328 4.0452 4.0452 4.5128 4.5128 4.7815 4.7815 9.1028 9.1028 9.1039 9.1039 13.1215 13.1215 14.5605 14.5605 16.4298 16.4298 16.5720 16.5720 18.7333 18.7333 18.8259 18.8259 20.4227 20.4227 21.1693 21.1693 21.1834 21.1834 k = 0.5167 0.4151 0.2947 ( 2595 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9989 -28.9989 -28.7230 -28.7230 -28.6994 -28.6994 -26.5688 -26.5688 -26.5651 -26.5651 -14.3740 -14.3740 -14.3670 -14.3670 -8.8662 -8.8662 -7.1042 -7.1042 -4.8544 -4.8544 -1.6937 -1.6937 -1.6768 -1.6768 0.8210 0.8210 0.8326 0.8326 4.1056 4.1056 4.5045 4.5045 4.7070 4.7070 9.1013 9.1013 9.1020 9.1020 13.1066 13.1066 14.5649 14.5649 16.4789 16.4789 16.5746 16.5746 18.6695 18.6695 18.8319 18.8319 20.4318 20.4318 21.1782 21.1782 21.1900 21.1900 k = 0.5126 0.4117 0.3049 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9989 -28.9989 -28.7229 -28.7229 -28.6993 -28.6993 -26.5689 -26.5689 -26.5652 -26.5652 -14.3740 -14.3740 -14.3676 -14.3676 -8.8675 -8.8675 -7.1068 -7.1068 -4.8601 -4.8601 -1.6811 -1.6811 -1.6701 -1.6701 0.8259 0.8259 0.8325 0.8325 4.1660 4.1660 4.4979 4.4979 4.6356 4.6356 9.1001 9.1001 9.1004 9.1004 13.0949 13.0949 14.5684 14.5684 16.5192 16.5192 16.5772 16.5772 18.6167 18.6167 18.8369 18.8369 20.4389 20.4389 21.1852 21.1852 21.1955 21.1955 k = 0.5084 0.4084 0.3152 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6992 -28.6992 -26.5689 -26.5689 -26.5653 -26.5653 -14.3740 -14.3740 -14.3679 -14.3679 -8.8684 -8.8684 -7.1087 -7.1087 -4.8642 -4.8642 -1.6725 -1.6725 -1.6648 -1.6648 0.8294 0.8294 0.8324 0.8324 4.2244 4.2244 4.4929 4.4929 4.5697 4.5697 9.0992 9.0992 9.0994 9.0994 13.0866 13.0866 14.5710 14.5710 16.5481 16.5481 16.5805 16.5805 18.5773 18.5773 18.8404 18.8404 20.4440 20.4440 21.1901 21.1901 21.1996 21.1996 k = 0.5042 0.4050 0.3255 ( 2596 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5690 -26.5690 -26.5653 -26.5653 -14.3741 -14.3741 -14.3681 -14.3681 -8.8689 -8.8689 -7.1099 -7.1099 -4.8667 -4.8667 -1.6678 -1.6678 -1.6611 -1.6611 0.8313 0.8313 0.8325 0.8325 4.2742 4.2742 4.4882 4.4882 4.5169 4.5169 9.0986 9.0986 9.0987 9.0987 13.0815 13.0815 14.5725 14.5725 16.5632 16.5632 16.5853 16.5853 18.5529 18.5529 18.8426 18.8426 20.4470 20.4470 21.1929 21.1929 21.2023 21.2023 k = 0.5000 0.4016 0.3357 ( 2604 PWs) bands (ev): -62.0445 -62.0445 -31.3436 -31.3436 -28.9988 -28.9988 -28.7229 -28.7229 -28.6991 -28.6991 -26.5690 -26.5690 -26.5653 -26.5653 -14.3742 -14.3742 -14.3681 -14.3681 -8.8691 -8.8691 -7.1103 -7.1103 -4.8675 -4.8675 -1.6664 -1.6664 -1.6598 -1.6598 0.8318 0.8318 0.8326 0.8326 4.2970 4.2970 4.4811 4.4811 4.4987 4.4987 9.0984 9.0984 9.0985 9.0985 13.0799 13.0799 14.5729 14.5729 16.5670 16.5670 16.5883 16.5883 18.5446 18.5446 18.8432 18.8432 20.4480 20.4480 21.1938 21.1938 21.2032 21.2032 k = 0.5000-0.1104-0.0923 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3803 -31.3803 -28.9949 -28.9949 -28.7154 -28.7154 -28.7002 -28.7002 -26.5858 -26.5858 -26.5181 -26.5181 -14.3326 -14.3326 -14.3135 -14.3135 -8.7477 -8.7477 -6.4551 -6.4551 -4.3649 -4.3649 -3.1836 -3.1836 -1.8245 -1.8245 -0.1588 -0.1588 0.6775 0.6775 2.8260 2.8260 5.4657 5.4657 6.6910 6.6910 8.1566 8.1566 9.5524 9.5524 14.7170 14.7170 14.7804 14.7804 14.9696 14.9696 16.4353 16.4353 17.0450 17.0450 17.4359 17.4359 20.6505 20.6505 21.3939 21.3939 22.7297 22.7297 k = 0.5033-0.1017-0.0850 ( 2596 PWs) bands (ev): -62.0447 -62.0447 -31.3802 -31.3802 -28.9949 -28.9949 -28.7154 -28.7154 -28.7002 -28.7002 -26.5857 -26.5857 -26.5182 -26.5182 -14.3326 -14.3326 -14.3135 -14.3135 -8.7477 -8.7477 -6.4555 -6.4555 -4.3648 -4.3648 -3.1830 -3.1830 -1.8249 -1.8249 -0.1577 -0.1577 0.6775 0.6775 2.8264 2.8264 5.4649 5.4649 6.6905 6.6905 8.1577 8.1577 9.5522 9.5522 14.7167 14.7167 14.7808 14.7808 14.9676 14.9676 16.4353 16.4353 17.0471 17.0471 17.4372 17.4372 20.6503 20.6503 21.3936 21.3936 22.7297 22.7297 k = 0.5066-0.0930-0.0777 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3801 -31.3801 -28.9949 -28.9949 -28.7154 -28.7154 -28.7003 -28.7003 -26.5856 -26.5856 -26.5183 -26.5183 -14.3328 -14.3328 -14.3135 -14.3135 -8.7478 -8.7478 -6.4574 -6.4574 -4.3645 -4.3645 -3.1812 -3.1812 -1.8258 -1.8258 -0.1547 -0.1547 0.6774 0.6774 2.8274 2.8274 5.4627 5.4627 6.6891 6.6891 8.1610 8.1610 9.5515 9.5515 14.7158 14.7158 14.7819 14.7819 14.9620 14.9620 16.4354 16.4354 17.0535 17.0535 17.4412 17.4412 20.6497 20.6497 21.3928 21.3928 22.7297 22.7297 k = 0.5098-0.0842-0.0704 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3799 -31.3799 -28.9950 -28.9950 -28.7155 -28.7155 -28.7003 -28.7003 -26.5854 -26.5854 -26.5185 -26.5185 -14.3331 -14.3331 -14.3135 -14.3135 -8.7480 -8.7480 -6.4604 -6.4604 -4.3641 -4.3641 -3.1782 -3.1782 -1.8274 -1.8274 -0.1495 -0.1495 0.6771 0.6771 2.8292 2.8292 5.4589 5.4589 6.6867 6.6867 8.1664 8.1664 9.5505 9.5505 14.7142 14.7142 14.7838 14.7838 14.9526 14.9526 16.4355 16.4355 17.0638 17.0638 17.4478 17.4478 20.6486 20.6486 21.3914 21.3914 22.7297 22.7297 k = 0.5131-0.0755-0.0631 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3796 -31.3796 -28.9951 -28.9951 -28.7156 -28.7156 -28.7004 -28.7004 -26.5852 -26.5852 -26.5188 -26.5188 -14.3336 -14.3336 -14.3136 -14.3136 -8.7483 -8.7483 -6.4647 -6.4647 -4.3636 -4.3636 -3.1739 -3.1739 -1.8297 -1.8297 -0.1425 -0.1425 0.6768 0.6768 2.8316 2.8316 5.4536 5.4536 6.6833 6.6833 8.1740 8.1740 9.5492 9.5492 14.7119 14.7119 14.7863 14.7863 14.9398 14.9398 16.4357 16.4357 17.0780 17.0780 17.4572 17.4572 20.6472 20.6472 21.3894 21.3894 22.7296 22.7296 k = 0.5164-0.0668-0.0558 ( 2590 PWs) bands (ev): -62.0447 -62.0447 -31.3793 -31.3793 -28.9952 -28.9952 -28.7157 -28.7157 -28.7005 -28.7005 -26.5849 -26.5849 -26.5192 -26.5192 -14.3342 -14.3342 -14.3136 -14.3136 -8.7486 -8.7486 -6.4701 -6.4701 -4.3629 -4.3629 -3.1684 -3.1684 -1.8325 -1.8325 -0.1334 -0.1334 0.6765 0.6765 2.8348 2.8348 5.4470 5.4470 6.6791 6.6791 8.1836 8.1836 9.5474 9.5474 14.7090 14.7090 14.7895 14.7895 14.9237 14.9237 16.4360 16.4360 17.0957 17.0957 17.4696 17.4696 20.6454 20.6454 21.3869 21.3869 22.7296 22.7296 k = 0.5197-0.0580-0.0485 ( 2590 PWs) bands (ev): -62.0447 -62.0447 -31.3788 -31.3788 -28.9953 -28.9953 -28.7158 -28.7158 -28.7006 -28.7006 -26.5846 -26.5846 -26.5196 -26.5196 -14.3349 -14.3349 -14.3136 -14.3136 -8.7490 -8.7490 -6.4767 -6.4767 -4.3622 -4.3622 -3.1617 -3.1617 -1.8358 -1.8358 -0.1225 -0.1225 0.6760 0.6760 2.8386 2.8386 5.4389 5.4389 6.6738 6.6738 8.1952 8.1952 9.5452 9.5452 14.7055 14.7055 14.7932 14.7932 14.9047 14.9047 16.4362 16.4362 17.1164 17.1164 17.4850 17.4850 20.6433 20.6433 21.3838 21.3838 22.7297 22.7297 k = 0.5229-0.0493-0.0412 ( 2589 PWs) bands (ev): -62.0447 -62.0447 -31.3783 -31.3783 -28.9954 -28.9954 -28.7160 -28.7160 -28.7007 -28.7007 -26.5842 -26.5842 -26.5201 -26.5201 -14.3357 -14.3357 -14.3137 -14.3137 -8.7495 -8.7495 -6.4843 -6.4843 -4.3615 -4.3615 -3.1538 -3.1538 -1.8396 -1.8396 -0.1097 -0.1097 0.6754 0.6754 2.8431 2.8431 5.4295 5.4295 6.6676 6.6676 8.2087 8.2087 9.5427 9.5427 14.7013 14.7013 14.7971 14.7971 14.8835 14.8835 16.4366 16.4366 17.1398 17.1398 17.5038 17.5038 20.6409 20.6409 21.3801 21.3801 22.7298 22.7298 k = 0.5262-0.0406-0.0339 ( 2597 PWs) bands (ev): -62.0447 -62.0447 -31.3778 -31.3778 -28.9956 -28.9956 -28.7162 -28.7162 -28.7009 -28.7009 -26.5837 -26.5837 -26.5208 -26.5208 -14.3366 -14.3366 -14.3138 -14.3138 -8.7500 -8.7500 -6.4931 -6.4931 -4.3608 -4.3608 -3.1447 -3.1447 -1.8439 -1.8439 -0.0952 -0.0952 0.6748 0.6748 2.8483 2.8483 5.4189 5.4189 6.6605 6.6605 8.2240 8.2240 9.5397 9.5397 14.6965 14.6965 14.7999 14.7999 14.8615 14.8615 16.4370 16.4370 17.1651 17.1651 17.5260 17.5260 20.6382 20.6382 21.3757 21.3757 22.7301 22.7301 k = 0.5295-0.0318-0.0266 ( 2597 PWs) bands (ev): -62.0447 -62.0447 -31.3772 -31.3772 -28.9958 -28.9958 -28.7164 -28.7164 -28.7011 -28.7011 -26.5832 -26.5832 -26.5215 -26.5215 -14.3377 -14.3377 -14.3138 -14.3138 -8.7507 -8.7507 -6.5027 -6.5027 -4.3601 -4.3601 -3.1344 -3.1344 -1.8486 -1.8486 -0.0790 -0.0790 0.6741 0.6741 2.8542 2.8542 5.4072 5.4072 6.6525 6.6525 8.2411 8.2411 9.5364 9.5364 14.6912 14.6912 14.7974 14.7974 14.8433 14.8433 16.4375 16.4375 17.1921 17.1921 17.5521 17.5521 20.6353 20.6353 21.3708 21.3708 22.7306 22.7306 k = 0.5328-0.0231-0.0193 ( 2593 PWs) bands (ev): -62.0447 -62.0447 -31.3765 -31.3765 -28.9960 -28.9960 -28.7167 -28.7167 -28.7012 -28.7012 -26.5826 -26.5826 -26.5222 -26.5222 -14.3389 -14.3389 -14.3139 -14.3139 -8.7514 -8.7514 -6.5133 -6.5133 -4.3596 -4.3596 -3.1229 -3.1229 -1.8536 -1.8536 -0.0612 -0.0612 0.6733 0.6733 2.8607 2.8607 5.3943 5.3943 6.6435 6.6435 8.2597 8.2597 9.5326 9.5326 14.6853 14.6853 14.7815 14.7815 14.8372 14.8372 16.4380 16.4380 17.2200 17.2200 17.5823 17.5823 20.6323 20.6323 21.3652 21.3652 22.7313 22.7313 k = 0.5360-0.0144-0.0120 ( 2590 PWs) bands (ev): -62.0447 -62.0447 -31.3757 -31.3757 -28.9962 -28.9962 -28.7169 -28.7169 -28.7014 -28.7014 -26.5819 -26.5819 -26.5230 -26.5230 -14.3401 -14.3401 -14.3140 -14.3140 -8.7521 -8.7521 -6.5248 -6.5248 -4.3592 -4.3592 -3.1101 -3.1101 -1.8588 -1.8588 -0.0419 -0.0419 0.6726 0.6726 2.8679 2.8679 5.3804 5.3804 6.6337 6.6337 8.2799 8.2799 9.5285 9.5285 14.6788 14.6788 14.7546 14.7546 14.8412 14.8412 16.4386 16.4386 17.2485 17.2485 17.6167 17.6167 20.6292 20.6292 21.3590 21.3590 22.7322 22.7322 k = 0.5393-0.0056-0.0047 ( 2587 PWs) bands (ev): -62.0447 -62.0447 -31.3749 -31.3749 -28.9964 -28.9964 -28.7172 -28.7172 -28.7016 -28.7016 -26.5813 -26.5813 -26.5239 -26.5239 -14.3415 -14.3415 -14.3141 -14.3141 -8.7530 -8.7530 -6.5370 -6.5370 -4.3591 -4.3591 -3.0962 -3.0962 -1.8643 -1.8643 -0.0212 -0.0212 0.6717 0.6717 2.8757 2.8757 5.3656 5.3656 6.6229 6.6229 8.3015 8.3015 9.5239 9.5239 14.6719 14.6719 14.7230 14.7230 14.8493 14.8493 16.4393 16.4393 17.2770 17.2770 17.6555 17.6555 20.6260 20.6260 21.3521 21.3521 22.7334 22.7334 k = 0.5426 0.0031 0.0026 ( 2588 PWs) bands (ev): -62.0447 -62.0447 -31.3740 -31.3740 -28.9966 -28.9966 -28.7175 -28.7175 -28.7018 -28.7018 -26.5806 -26.5806 -26.5249 -26.5249 -14.3429 -14.3429 -14.3142 -14.3142 -8.7540 -8.7540 -6.5500 -6.5500 -4.3593 -4.3593 -3.0811 -3.0811 -1.8700 -1.8700 0.0009 0.0009 0.6708 0.6708 2.8842 2.8842 5.3500 5.3500 6.6113 6.6113 8.3243 8.3243 9.5189 9.5189 14.6644 14.6644 14.6889 14.6889 14.8594 14.8594 16.4401 16.4401 17.3054 17.3054 17.6987 17.6987 20.6228 20.6228 21.3446 21.3446 22.7350 22.7350 k = 0.5459 0.0118 0.0099 ( 2592 PWs) bands (ev): -62.0447 -62.0447 -31.3731 -31.3731 -28.9969 -28.9969 -28.7179 -28.7179 -28.7020 -28.7020 -26.5799 -26.5799 -26.5259 -26.5259 -14.3444 -14.3444 -14.3143 -14.3143 -8.7550 -8.7550 -6.5637 -6.5637 -4.3598 -4.3598 -3.0649 -3.0649 -1.8757 -1.8757 0.0240 0.0240 0.6699 0.6699 2.8932 2.8932 5.3336 5.3336 6.5988 6.5988 8.3483 8.3483 9.5134 9.5134 14.6530 14.6530 14.6565 14.6565 14.8711 14.8711 16.4409 16.4409 17.3333 17.3333 17.7462 17.7462 20.6198 20.6198 21.3363 21.3363 22.7366 22.7366 k = 0.5491 0.0205 0.0172 ( 2596 PWs) bands (ev): -62.0447 -62.0447 -31.3721 -31.3721 -28.9972 -28.9972 -28.7182 -28.7182 -28.7022 -28.7022 -26.5791 -26.5791 -26.5270 -26.5270 -14.3461 -14.3461 -14.3145 -14.3145 -8.7561 -8.7561 -6.5779 -6.5779 -4.3607 -4.3607 -3.0476 -3.0476 -1.8815 -1.8815 0.0484 0.0484 0.6688 0.6688 2.9029 2.9029 5.3166 5.3166 6.5854 6.5854 8.3733 8.3733 9.5076 9.5076 14.6159 14.6159 14.6481 14.6481 14.8840 14.8840 16.4418 16.4418 17.3609 17.3609 17.7980 17.7980 20.6169 20.6169 21.3275 21.3275 22.6705 22.6708 k = 0.5524 0.0293 0.0245 ( 2598 PWs) bands (ev): -62.0447 -62.0447 -31.3711 -31.3711 -28.9975 -28.9975 -28.7186 -28.7186 -28.7024 -28.7024 -26.5783 -26.5783 -26.5282 -26.5282 -14.3477 -14.3477 -14.3146 -14.3146 -8.7572 -8.7572 -6.5927 -6.5927 -4.3620 -4.3620 -3.0292 -3.0292 -1.8873 -1.8873 0.0737 0.0737 0.6678 0.6678 2.9132 2.9132 5.2990 5.2990 6.5712 6.5712 8.3992 8.3992 9.5013 9.5013 14.5779 14.5779 14.6393 14.6393 14.8981 14.8981 16.4428 16.4428 17.3879 17.3879 17.8537 17.8537 20.6142 20.6142 21.3180 21.3180 22.5786 22.5787 k = 0.5557 0.0380 0.0318 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3701 -31.3701 -28.9977 -28.9977 -28.7190 -28.7190 -28.7026 -28.7026 -26.5775 -26.5775 -26.5294 -26.5294 -14.3495 -14.3495 -14.3148 -14.3148 -8.7585 -8.7585 -6.6079 -6.6079 -4.3637 -4.3637 -3.0097 -3.0097 -1.8930 -1.8930 0.0999 0.0999 0.6668 0.6668 2.9241 2.9241 5.2808 5.2808 6.5561 6.5561 8.4258 8.4258 9.4946 9.4946 14.5391 14.5391 14.6302 14.6302 14.9134 14.9134 16.4439 16.4439 17.4146 17.4146 17.9132 17.9132 20.6119 20.6119 21.3077 21.3077 22.4867 22.4867 k = 0.5590 0.0467 0.0391 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3690 -31.3690 -28.9980 -28.9980 -28.7193 -28.7193 -28.7028 -28.7028 -26.5767 -26.5767 -26.5306 -26.5306 -14.3512 -14.3512 -14.3150 -14.3150 -8.7598 -8.7598 -6.6235 -6.6235 -4.3660 -4.3660 -2.9891 -2.9891 -1.8986 -1.8986 0.1269 0.1269 0.6657 0.6657 2.9355 2.9355 5.2622 5.2622 6.5403 6.5403 8.4532 8.4532 9.4875 9.4875 14.4998 14.4998 14.6207 14.6207 14.9298 14.9298 16.4450 16.4450 17.4411 17.4411 17.9761 17.9761 20.6100 20.6100 21.2970 21.2970 22.3949 22.3949 k = 0.5622 0.0555 0.0464 ( 2600 PWs) bands (ev): -62.0447 -62.0447 -31.3679 -31.3679 -28.9983 -28.9983 -28.7197 -28.7197 -28.7030 -28.7030 -26.5759 -26.5759 -26.5319 -26.5319 -14.3530 -14.3530 -14.3152 -14.3152 -8.7612 -8.7612 -6.6393 -6.6393 -4.3687 -4.3687 -2.9676 -2.9676 -1.9040 -1.9040 0.1546 0.1546 0.6646 0.6646 2.9475 2.9475 5.2433 5.2433 6.5236 6.5236 8.4811 8.4811 9.4799 9.4799 14.4601 14.4601 14.6110 14.6110 14.9473 14.9473 16.4463 16.4463 17.4673 17.4673 18.0423 18.0423 20.6085 20.6085 21.2856 21.2856 22.3033 22.3033 k = 0.5655 0.0642 0.0537 ( 2598 PWs) bands (ev): -62.0447 -62.0447 -31.3668 -31.3668 -28.9986 -28.9986 -28.7201 -28.7201 -28.7032 -28.7032 -26.5750 -26.5750 -26.5333 -26.5333 -14.3549 -14.3549 -14.3154 -14.3154 -8.7627 -8.7627 -6.6554 -6.6554 -4.3720 -4.3720 -2.9451 -2.9451 -1.9092 -1.9092 0.1829 0.1829 0.6636 0.6636 2.9600 2.9600 5.2240 5.2240 6.5062 6.5062 8.5094 8.5094 9.4719 9.4719 14.4202 14.4202 14.6011 14.6011 14.9659 14.9659 16.4476 16.4476 17.4934 17.4934 18.1114 18.1114 20.6075 20.6075 21.2736 21.2736 22.2121 22.2121 k = 0.5688 0.0729 0.0610 ( 2596 PWs) bands (ev): -62.0446 -62.0446 -31.3656 -31.3656 -28.9989 -28.9989 -28.7205 -28.7205 -28.7034 -28.7034 -26.5742 -26.5742 -26.5346 -26.5346 -14.3567 -14.3567 -14.3156 -14.3156 -8.7642 -8.7642 -6.6716 -6.6716 -4.3758 -4.3758 -2.9217 -2.9217 -1.9142 -1.9142 0.2117 0.2117 0.6624 0.6624 2.9731 2.9731 5.2045 5.2045 6.4879 6.4879 8.5381 8.5381 9.4635 9.4635 14.3802 14.3802 14.5910 14.5910 14.9855 14.9855 16.4491 16.4491 17.5196 17.5196 18.1832 18.1832 20.6070 20.6070 21.2611 21.2611 22.1213 22.1213 k = 0.5721 0.0817 0.0683 ( 2599 PWs) bands (ev): -62.0446 -62.0446 -31.3644 -31.3644 -28.9992 -28.9992 -28.7209 -28.7209 -28.7036 -28.7036 -26.5734 -26.5734 -26.5360 -26.5360 -14.3586 -14.3586 -14.3159 -14.3159 -8.7659 -8.7659 -6.6880 -6.6880 -4.3802 -4.3802 -2.8975 -2.8975 -1.9188 -1.9188 0.2408 0.2408 0.6612 0.6612 2.9866 2.9866 5.1848 5.1848 6.4689 6.4689 8.5670 8.5670 9.4546 9.4546 14.3403 14.3403 14.5808 14.5808 15.0060 15.0060 16.4506 16.4506 17.5458 17.5458 18.2577 18.2577 20.6072 20.6072 21.2481 21.2481 22.0311 22.0311 k = 0.5753 0.0904 0.0756 ( 2594 PWs) bands (ev): -62.0446 -62.0446 -31.3633 -31.3633 -28.9994 -28.9994 -28.7213 -28.7213 -28.7037 -28.7037 -26.5725 -26.5725 -26.5374 -26.5374 -14.3605 -14.3605 -14.3161 -14.3161 -8.7675 -8.7675 -6.7044 -6.7044 -4.3852 -4.3852 -2.8724 -2.8724 -1.9232 -1.9232 0.2703 0.2703 0.6601 0.6601 3.0007 3.0007 5.1650 5.1650 6.4492 6.4492 8.5960 8.5960 9.4453 9.4453 14.3005 14.3005 14.5704 14.5704 15.0275 15.0275 16.4522 16.4522 17.5723 17.5723 18.3345 18.3345 20.6080 20.6080 21.2347 21.2347 21.9415 21.9415 k = 0.5786 0.0991 0.0829 ( 2598 PWs) bands (ev): -62.0446 -62.0446 -31.3621 -31.3621 -28.9997 -28.9997 -28.7217 -28.7217 -28.7039 -28.7039 -26.5717 -26.5717 -26.5388 -26.5388 -14.3624 -14.3624 -14.3164 -14.3164 -8.7693 -8.7693 -6.7209 -6.7209 -4.3907 -4.3907 -2.8465 -2.8465 -1.9272 -1.9272 0.2999 0.2999 0.6589 0.6589 3.0152 3.0152 5.1451 5.1451 6.4288 6.4288 8.6251 8.6251 9.4355 9.4355 14.2610 14.2610 14.5601 14.5601 15.0499 15.0499 16.4539 16.4539 17.5991 17.5991 18.4135 18.4135 20.6094 20.6094 21.2208 21.2208 21.8526 21.8526 k = 0.5819 0.1079 0.0902 ( 2598 PWs) bands (ev): -62.0446 -62.0446 -31.3609 -31.3609 -29.0000 -29.0000 -28.7221 -28.7221 -28.7041 -28.7041 -26.5709 -26.5709 -26.5402 -26.5402 -14.3643 -14.3643 -14.3168 -14.3168 -8.7711 -8.7711 -6.7373 -6.7373 -4.3968 -4.3968 -2.8200 -2.8200 -1.9308 -1.9308 0.3296 0.3296 0.6577 0.6577 3.0302 3.0302 5.1251 5.1251 6.4076 6.4076 8.6541 8.6541 9.4253 9.4253 14.2218 14.2218 14.5498 14.5498 15.0731 15.0731 16.4558 16.4558 17.6263 17.6263 18.4947 18.4947 20.6114 20.6114 21.2067 21.2067 21.7646 21.7646 k = 0.5852 0.1166 0.0975 ( 2596 PWs) bands (ev): -62.0446 -62.0446 -31.3597 -31.3597 -29.0002 -29.0002 -28.7224 -28.7224 -28.7042 -28.7042 -26.5701 -26.5701 -26.5416 -26.5416 -14.3661 -14.3661 -14.3171 -14.3171 -8.7730 -8.7730 -6.7536 -6.7536 -4.4034 -4.4034 -2.7928 -2.7928 -1.9341 -1.9341 0.3594 0.3594 0.6564 0.6564 3.0456 3.0456 5.1051 5.1051 6.3857 6.3857 8.6830 8.6830 9.4148 9.4148 14.1831 14.1831 14.5397 14.5397 15.0970 15.0970 16.4577 16.4577 17.6540 17.6540 18.5778 18.5778 20.6140 20.6140 21.1922 21.1922 21.6776 21.6776 k = 0.5884 0.1253 0.1048 ( 2594 PWs) bands (ev): -62.0446 -62.0446 -31.3585 -31.3585 -29.0004 -29.0004 -28.7228 -28.7228 -28.7043 -28.7043 -26.5694 -26.5694 -26.5430 -26.5430 -14.3680 -14.3680 -14.3175 -14.3175 -8.7749 -8.7749 -6.7697 -6.7697 -4.4105 -4.4105 -2.7649 -2.7649 -1.9369 -1.9369 0.3890 0.3890 0.6552 0.6552 3.0614 3.0614 5.0852 5.0852 6.3632 6.3632 8.7117 8.7117 9.4038 9.4038 14.1449 14.1449 14.5297 14.5297 15.1216 15.1216 16.4597 16.4597 17.6823 17.6823 18.6628 18.6628 20.6170 20.6170 21.1776 21.1776 21.5918 21.5918 k = 0.5917 0.1341 0.1120 ( 2596 PWs) bands (ev): -62.0446 -62.0446 -31.3574 -31.3574 -29.0007 -29.0007 -28.7231 -28.7231 -28.7045 -28.7045 -26.5687 -26.5687 -26.5445 -26.5445 -14.3698 -14.3698 -14.3179 -14.3179 -8.7769 -8.7769 -6.7856 -6.7856 -4.4182 -4.4182 -2.7366 -2.7366 -1.9393 -1.9393 0.4185 0.4185 0.6539 0.6539 3.0776 3.0776 5.0653 5.0653 6.3399 6.3399 8.7401 8.7401 9.3923 9.3923 14.1072 14.1072 14.5199 14.5199 15.1467 15.1467 16.4618 16.4618 17.7113 17.7113 18.7495 18.7495 20.6203 20.6203 21.1627 21.1627 21.5075 21.5075 k = 0.5950 0.1428 0.1193 ( 2592 PWs) bands (ev): -62.0446 -62.0446 -31.3562 -31.3562 -29.0009 -29.0009 -28.7234 -28.7234 -28.7046 -28.7046 -26.5679 -26.5679 -26.5458 -26.5458 -14.3715 -14.3715 -14.3183 -14.3183 -8.7790 -8.7790 -6.8012 -6.8012 -4.4263 -4.4263 -2.7077 -2.7077 -1.9413 -1.9413 0.4477 0.4477 0.6525 0.6525 3.0942 3.0942 5.0455 5.0455 6.3160 6.3160 8.7681 8.7681 9.3806 9.3806 14.0702 14.0702 14.5104 14.5104 15.1723 15.1723 16.4641 16.4641 17.7411 17.7411 18.8379 18.8379 20.6236 20.6236 21.1478 21.1478 21.4250 21.4250 k = 0.5983 0.1515 0.1266 ( 2591 PWs) bands (ev): -62.0446 -62.0446 -31.3551 -31.3551 -29.0011 -29.0011 -28.7237 -28.7237 -28.7047 -28.7047 -26.5673 -26.5673 -26.5472 -26.5472 -14.3732 -14.3732 -14.3187 -14.3187 -8.7811 -8.7811 -6.8166 -6.8166 -4.4350 -4.4350 -2.6784 -2.6784 -1.9428 -1.9428 0.4766 0.4766 0.6512 0.6512 3.1111 3.1111 5.0258 5.0258 6.2915 6.2915 8.7958 8.7958 9.3684 9.3684 14.0339 14.0339 14.5013 14.5013 15.1983 15.1983 16.4664 16.4664 17.7718 17.7718 18.9278 18.9278 20.6265 20.6265 21.1329 21.1329 21.3447 21.3447 k = 0.6015 0.1602 0.1339 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3540 -31.3540 -29.0012 -29.0012 -28.7239 -28.7239 -28.7047 -28.7047 -26.5666 -26.5666 -26.5486 -26.5486 -14.3748 -14.3748 -14.3192 -14.3192 -8.7832 -8.7832 -6.8315 -6.8315 -4.4441 -4.4441 -2.6487 -2.6487 -1.9438 -1.9438 0.5051 0.5051 0.6498 0.6498 3.1284 3.1284 5.0062 5.0062 6.2663 6.2663 8.8229 8.8229 9.3559 9.3559 13.9983 13.9983 14.4926 14.4926 15.2246 15.2246 16.4688 16.4688 17.8036 17.8036 19.0190 19.0190 20.6283 20.6283 21.1180 21.1180 21.2674 21.2674 k = 0.6048 0.1690 0.1412 ( 2587 PWs) bands (ev): -62.0446 -62.0446 -31.3530 -31.3530 -29.0014 -29.0014 -28.7242 -28.7242 -28.7048 -28.7048 -26.5660 -26.5660 -26.5500 -26.5500 -14.3764 -14.3764 -14.3197 -14.3197 -8.7854 -8.7854 -6.8462 -6.8462 -4.4536 -4.4536 -2.6187 -2.6187 -1.9444 -1.9444 0.5330 0.5330 0.6484 0.6484 3.1460 3.1460 4.9867 4.9867 6.2405 6.2405 8.8495 8.8495 9.3430 9.3430 13.9635 13.9635 14.4844 14.4844 15.2510 15.2510 16.4713 16.4713 17.8365 17.8365 19.1116 19.1116 20.6282 20.6282 21.1032 21.1032 21.1940 21.1940 k = 0.6081 0.1777 0.1485 ( 2585 PWs) bands (ev): -62.0446 -62.0446 -31.3520 -31.3520 -29.0016 -29.0016 -28.7244 -28.7244 -28.7049 -28.7049 -26.5655 -26.5655 -26.5513 -26.5513 -14.3779 -14.3779 -14.3202 -14.3202 -8.7877 -8.7877 -6.8604 -6.8604 -4.4635 -4.4635 -2.5884 -2.5884 -1.9445 -1.9445 0.5603 0.5603 0.6469 0.6469 3.1638 3.1638 4.9675 4.9675 6.2141 6.2141 8.8755 8.8755 9.3298 9.3298 13.9295 13.9295 14.4766 14.4766 15.2774 15.2774 16.4739 16.4739 17.8708 17.8708 19.2052 19.2052 20.6246 20.6246 21.0886 21.0886 21.1261 21.1261 k = 0.6114 0.1864 0.1558 ( 2581 PWs) bands (ev): -62.0446 -62.0446 -31.3510 -31.3510 -29.0017 -29.0017 -28.7246 -28.7246 -28.7049 -28.7049 -26.5650 -26.5650 -26.5525 -26.5525 -14.3793 -14.3793 -14.3208 -14.3208 -8.7899 -8.7899 -6.8741 -6.8741 -4.4738 -4.4738 -2.5578 -2.5578 -1.9441 -1.9441 0.5870 0.5870 0.6454 0.6454 3.1820 3.1820 4.9484 4.9484 6.1871 6.1871 8.9009 8.9009 9.3163 9.3163 13.8964 13.8964 14.4695 14.4695 15.3038 15.3038 16.4766 16.4766 17.9064 17.9064 19.2998 19.2998 20.6156 20.6156 21.0652 21.0652 21.0748 21.0748 k = 0.6146 0.1952 0.1631 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3501 -31.3501 -29.0018 -29.0018 -28.7247 -28.7247 -28.7050 -28.7050 -26.5645 -26.5645 -26.5537 -26.5537 -14.3807 -14.3807 -14.3213 -14.3213 -8.7922 -8.7922 -6.8874 -6.8874 -4.4844 -4.4844 -2.5271 -2.5271 -1.9433 -1.9433 0.6129 0.6129 0.6437 0.6437 3.2004 3.2004 4.9295 4.9295 6.1595 6.1595 8.9254 8.9254 9.3026 9.3026 13.8641 13.8641 14.4631 14.4631 15.3301 15.3301 16.4794 16.4794 17.9436 17.9436 19.3949 19.3949 20.5987 20.5987 21.0151 21.0151 21.0606 21.0606 k = 0.6179 0.2039 0.1704 ( 2579 PWs) bands (ev): -62.0446 -62.0446 -31.3493 -31.3493 -29.0019 -29.0019 -28.7249 -28.7249 -28.7050 -28.7050 -26.5641 -26.5641 -26.5549 -26.5549 -14.3820 -14.3820 -14.3220 -14.3220 -8.7945 -8.7945 -6.9002 -6.9002 -4.4954 -4.4954 -2.4962 -2.4962 -1.9420 -1.9420 0.6380 0.6380 0.6421 0.6421 3.2190 3.2190 4.9108 4.9108 6.1313 6.1313 8.9493 8.9493 9.2886 9.2886 13.8327 13.8327 14.4573 14.4573 15.3561 15.3561 16.4822 16.4822 17.9823 17.9823 19.4904 19.4904 20.5717 20.5717 20.9770 20.9770 21.0471 21.0471 k = 0.6212 0.2126 0.1777 ( 2583 PWs) bands (ev): -62.0446 -62.0446 -31.3485 -31.3485 -29.0020 -29.0020 -28.7250 -28.7250 -28.7050 -28.7050 -26.5638 -26.5638 -26.5560 -26.5560 -14.3832 -14.3832 -14.3226 -14.3226 -8.7969 -8.7969 -6.9125 -6.9125 -4.5067 -4.5067 -2.4653 -2.4653 -1.9403 -1.9403 0.6403 0.6403 0.6623 0.6623 3.2378 3.2378 4.8923 4.8923 6.1025 6.1025 8.9723 8.9723 9.2744 9.2744 13.8021 13.8021 14.4523 14.4523 15.3817 15.3817 16.4851 16.4851 18.0228 18.0228 19.5855 19.5855 20.5338 20.5338 20.9521 20.9521 21.0340 21.0340 k = 0.6245 0.2214 0.1850 ( 2581 PWs) bands (ev): -62.0445 -62.0445 -31.3477 -31.3477 -29.0020 -29.0020 -28.7251 -28.7251 -28.7050 -28.7050 -26.5635 -26.5635 -26.5570 -26.5570 -14.3843 -14.3843 -14.3233 -14.3233 -8.7993 -8.7993 -6.9242 -6.9242 -4.5181 -4.5181 -2.4343 -2.4343 -1.9381 -1.9381 0.6385 0.6385 0.6856 0.6856 3.2568 3.2568 4.8741 4.8741 6.0732 6.0732 8.9945 8.9945 9.2600 9.2600 13.7725 13.7725 14.4481 14.4481 15.4069 15.4069 16.4882 16.4882 18.0650 18.0650 19.6796 19.6796 20.4867 20.4867 20.9393 20.9393 21.0215 21.0215 k = 0.6277 0.2301 0.1923 ( 2584 PWs) bands (ev): -62.0445 -62.0445 -31.3470 -31.3470 -29.0021 -29.0021 -28.7252 -28.7252 -28.7050 -28.7050 -26.5633 -26.5633 -26.5579 -26.5579 -14.3853 -14.3853 -14.3240 -14.3240 -8.8016 -8.8016 -6.9353 -6.9353 -4.5299 -4.5299 -2.4034 -2.4034 -1.9355 -1.9355 0.6366 0.6366 0.7079 0.7079 3.2759 3.2759 4.8561 4.8561 6.0432 6.0432 9.0158 9.0158 9.2455 9.2455 13.7438 13.7438 14.4447 14.4447 15.4317 15.4317 16.4912 16.4912 18.1090 18.1090 19.7715 19.7715 20.4330 20.4330 20.9361 20.9361 21.0097 21.0097 k = 0.6310 0.2388 0.1996 ( 2586 PWs) bands (ev): -62.0445 -62.0445 -31.3464 -31.3464 -29.0021 -29.0021 -28.7253 -28.7253 -28.7050 -28.7050 -26.5632 -26.5632 -26.5587 -26.5587 -14.3862 -14.3862 -14.3247 -14.3247 -8.8040 -8.8040 -6.9458 -6.9458 -4.5418 -4.5418 -2.3725 -2.3725 -1.9324 -1.9324 0.6347 0.6347 0.7292 0.7292 3.2952 3.2952 4.8383 4.8383 6.0128 6.0128 9.0361 9.0361 9.2309 9.2309 13.7160 13.7160 14.4423 14.4423 15.4559 15.4559 16.4944 16.4944 18.1548 18.1548 19.8591 19.8591 20.3763 20.3763 20.9399 20.9399 20.9986 20.9986 k = 0.6343 0.2476 0.2069 ( 2584 PWs) bands (ev): -62.0445 -62.0445 -31.3458 -31.3458 -29.0021 -29.0021 -28.7253 -28.7253 -28.7049 -28.7049 -26.5633 -26.5633 -26.5592 -26.5592 -14.3871 -14.3871 -14.3255 -14.3255 -8.8063 -8.8063 -6.9557 -6.9557 -4.5539 -4.5539 -2.3417 -2.3417 -1.9289 -1.9289 0.6326 0.6326 0.7494 0.7494 3.3147 3.3147 4.8208 4.8208 5.9818 5.9818 9.0555 9.0555 9.2163 9.2163 13.6890 13.6890 14.4407 14.4407 15.4797 15.4797 16.4976 16.4976 18.2023 18.2023 19.9385 19.9385 20.3208 20.3208 20.9484 20.9484 20.9883 20.9883 k = 0.6376 0.2563 0.2142 ( 2582 PWs) bands (ev): -62.0445 -62.0445 -31.3453 -31.3453 -29.0021 -29.0021 -28.7253 -28.7253 -28.7048 -28.7048 -26.5636 -26.5636 -26.5595 -26.5595 -14.3878 -14.3878 -14.3262 -14.3262 -8.8086 -8.8086 -6.9650 -6.9650 -4.5661 -4.5661 -2.3110 -2.3110 -1.9249 -1.9249 0.6305 0.6305 0.7684 0.7684 3.3342 3.3342 4.8035 4.8035 5.9502 5.9502 9.0739 9.0739 9.2016 9.2016 13.6629 13.6629 14.4402 14.4402 15.5028 15.5028 16.5009 16.5009 18.2513 18.2513 20.0018 20.0018 20.2734 20.2734 20.9595 20.9595 20.9793 20.9793 k = 0.6408 0.2650 0.2215 ( 2584 PWs) bands (ev): -62.0445 -62.0445 -31.3449 -31.3449 -29.0021 -29.0021 -28.7253 -28.7253 -28.7048 -28.7048 -26.5640 -26.5640 -26.5597 -26.5597 -14.3885 -14.3885 -14.3271 -14.3271 -8.8110 -8.8110 -6.9736 -6.9736 -4.5785 -4.5785 -2.2806 -2.2806 -1.9206 -1.9206 0.6282 0.6282 0.7863 0.7863 3.3538 3.3538 4.7866 4.7866 5.9181 5.9181 9.0912 9.0912 9.1870 9.1870 13.6377 13.6377 14.4406 14.4406 15.5255 15.5255 16.5042 16.5042 18.3018 18.3018 20.0332 20.0332 20.2467 20.2467 20.9664 20.9664 20.9760 20.9760 k = 0.6441 0.2737 0.2288 ( 2591 PWs) bands (ev): -62.0445 -62.0445 -31.3446 -31.3446 -29.0020 -29.0020 -28.7253 -28.7253 -28.7047 -28.7047 -26.5645 -26.5645 -26.5598 -26.5598 -14.3890 -14.3890 -14.3280 -14.3280 -8.8133 -8.8133 -6.9816 -6.9816 -4.5909 -4.5909 -2.2503 -2.2503 -1.9159 -1.9159 0.6258 0.6258 0.8028 0.8028 3.3734 3.3734 4.7699 4.7699 5.8855 5.8855 9.1075 9.1075 9.1724 9.1724 13.6133 13.6133 14.4420 14.4420 15.5476 15.5476 16.5075 16.5075 18.3532 18.3532 20.0211 20.0211 20.2469 20.2469 20.9606 20.9606 20.9836 20.9836 k = 0.6474 0.2825 0.2361 ( 2588 PWs) bands (ev): -62.0445 -62.0445 -31.3443 -31.3443 -29.0020 -29.0020 -28.7253 -28.7253 -28.7046 -28.7046 -26.5650 -26.5650 -26.5597 -26.5597 -14.3895 -14.3895 -14.3288 -14.3288 -8.8155 -8.8155 -6.9888 -6.9888 -4.6034 -4.6034 -2.2204 -2.2204 -1.9107 -1.9107 0.6234 0.6234 0.8182 0.8182 3.3932 3.3932 4.7535 4.7535 5.8524 5.8524 9.1227 9.1227 9.1580 9.1580 13.5898 13.5898 14.4445 14.4445 15.5693 15.5693 16.5109 16.5109 18.4053 18.4053 19.9808 19.9808 20.2522 20.2522 20.9540 20.9540 20.9877 20.9877 k = 0.6507 0.2912 0.2434 ( 2593 PWs) bands (ev): -62.0445 -62.0445 -31.3441 -31.3441 -29.0019 -29.0019 -28.7252 -28.7252 -28.7045 -28.7045 -26.5655 -26.5655 -26.5596 -26.5596 -14.3898 -14.3898 -14.3297 -14.3297 -8.8177 -8.8177 -6.9954 -6.9954 -4.6160 -4.6160 -2.1907 -2.1907 -1.9052 -1.9052 0.6208 0.6208 0.8321 0.8321 3.4129 3.4129 4.7374 4.7374 5.8187 5.8187 9.1367 9.1367 9.1437 9.1437 13.5670 13.5670 14.4480 14.4480 15.5906 15.5906 16.5144 16.5144 18.4574 18.4574 19.9304 19.9304 20.2393 20.2393 20.9481 20.9482 20.9922 20.9922 Writing output data file MgCO6.save init_run : 0.15s CPU 0.57s WALL ( 1 calls) electrons : 167.59s CPU 171.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 167.59s CPU 171.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 344 calls) cegterg : 160.23s CPU 163.01s WALL ( 645 calls) Called by sum_band: Called by *egterg: h_psi : 59.90s CPU 61.53s WALL ( 11405 calls) s_psi : 3.23s CPU 3.18s WALL ( 11405 calls) g_psi : 0.19s CPU 0.20s WALL ( 10416 calls) cdiaghg : 85.28s CPU 86.82s WALL ( 10760 calls) cegterg:over : 6.46s CPU 6.54s WALL ( 10416 calls) cegterg:upda : 4.79s CPU 4.59s WALL ( 10416 calls) cegterg:last : 3.03s CPU 3.14s WALL ( 1615 calls) cdiaghg:chol : 4.60s CPU 4.64s WALL ( 10760 calls) cdiaghg:inve : 3.22s CPU 3.24s WALL ( 10760 calls) cdiaghg:para : 5.44s CPU 5.50s WALL ( 21520 calls) Called by h_psi: h_psi:vloc : 51.60s CPU 52.95s WALL ( 11405 calls) h_psi:vnl : 8.09s CPU 8.38s WALL ( 11405 calls) add_vuspsi : 3.31s CPU 3.29s WALL ( 11405 calls) General routines calbec : 4.75s CPU 5.06s WALL ( 11405 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.85s CPU 49.12s WALL ( 1114156 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.28s WALL ( 688 calls) Parallel routines fft_scatter : 24.20s CPU 25.07s WALL ( 1114179 calls) PWSCF : 3m 2.42s CPU 3m39.00s WALL This run was terminated on: 17:13: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=