Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:30:46 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: ./CsS.save/ 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 105 105 29 3182 3182 460 Max 106 106 30 3184 3184 462 Sum 3805 3805 1059 114595 114595 16583 bravais-lattice index = 14 lattice parameter (alat) = 12.2727 a.u. unit-cell volume = 1186.8203 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.272680 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.675493 celldm(5)= -0.420449 celldm(6)= 0.095942 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.095942 0.995387 0.000000 ) a(3) = ( -0.420449 -0.638098 0.645022 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.096386 0.556485 ) b(2) = ( 0.000000 1.004634 0.993849 ) b(3) = ( 0.000000 0.000000 1.550334 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Cs 9.00 132.90550 Cs( 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= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( -0.0083083 0.0091476 0.0165145), wk = 0.0032051 k( 3) = ( -0.0166167 0.0182953 0.0330289), wk = 0.0032051 k( 4) = ( -0.0249250 0.0274429 0.0495433), wk = 0.0032051 k( 5) = ( -0.0332333 0.0365906 0.0660578), wk = 0.0032051 k( 6) = ( -0.0415416 0.0457382 0.0825722), wk = 0.0032051 k( 7) = ( -0.0498500 0.0548858 0.0990867), wk = 0.0032051 k( 8) = ( -0.0581583 0.0640335 0.1156011), wk = 0.0032051 k( 9) = ( -0.0664666 0.0731811 0.1321156), wk = 0.0032051 k( 10) = ( -0.0747749 0.0823288 0.1486300), wk = 0.0032051 k( 11) = ( -0.0830833 0.0914764 0.1651445), wk = 0.0032051 k( 12) = ( -0.0913916 0.1006240 0.1816589), wk = 0.0032051 k( 13) = ( -0.0996999 0.1097717 0.1981734), wk = 0.0032051 k( 14) = ( -0.1080083 0.1189193 0.2146878), wk = 0.0032051 k( 15) = ( -0.1163166 0.1280670 0.2312022), wk = 0.0032051 k( 16) = ( -0.1246249 0.1372146 0.2477167), wk = 0.0032051 k( 17) = ( -0.1329332 0.1463622 0.2642312), wk = 0.0032051 k( 18) = ( -0.1412415 0.1555099 0.2807456), wk = 0.0032051 k( 19) = ( -0.1495499 0.1646575 0.2972600), wk = 0.0032051 k( 20) = ( -0.1578582 0.1738052 0.3137745), wk = 0.0032051 k( 21) = ( -0.1661665 0.1829528 0.3302889), wk = 0.0032051 k( 22) = ( -0.1744749 0.1921004 0.3468034), wk = 0.0032051 k( 23) = ( -0.1827832 0.2012481 0.3633178), wk = 0.0032051 k( 24) = ( -0.1910915 0.2103957 0.3798323), wk = 0.0032051 k( 25) = ( -0.1993998 0.2195434 0.3963467), wk = 0.0032051 k( 26) = ( -0.2077082 0.2286910 0.4128612), wk = 0.0032051 k( 27) = ( -0.2160165 0.2378386 0.4293756), wk = 0.0032051 k( 28) = ( -0.2243248 0.2469863 0.4458901), wk = 0.0032051 k( 29) = ( -0.2326332 0.2561339 0.4624045), wk = 0.0032051 k( 30) = ( -0.2409415 0.2652816 0.4789190), wk = 0.0032051 k( 31) = ( -0.2492498 0.2744292 0.4954334), wk = 0.0032051 k( 32) = ( -0.2575581 0.2835769 0.5119479), wk = 0.0032051 k( 33) = ( -0.2658664 0.2927245 0.5284623), wk = 0.0032051 k( 34) = ( -0.2741748 0.3018721 0.5449767), wk = 0.0032051 k( 35) = ( -0.2824831 0.3110198 0.5614912), wk = 0.0032051 k( 36) = ( -0.2907914 0.3201674 0.5780057), wk = 0.0032051 k( 37) = ( -0.2990998 0.3293150 0.5945201), wk = 0.0032051 k( 38) = ( -0.3074081 0.3384627 0.6110345), wk = 0.0032051 k( 39) = ( -0.3157164 0.3476103 0.6275490), wk = 0.0032051 k( 40) = ( -0.3240247 0.3567580 0.6440634), wk = 0.0032051 k( 41) = ( -0.3240247 0.3567580 0.6440634), wk = 0.0032051 k( 42) = ( -0.3133160 0.3449674 0.6559819), wk = 0.0032051 k( 43) = ( -0.3026073 0.3331769 0.6679004), wk = 0.0032051 k( 44) = ( -0.2918985 0.3213863 0.6798189), wk = 0.0032051 k( 45) = ( -0.2811898 0.3095958 0.6917374), wk = 0.0032051 k( 46) = ( -0.2704811 0.2978053 0.7036559), wk = 0.0032051 k( 47) = ( -0.2597723 0.2860147 0.7155744), wk = 0.0032051 k( 48) = ( -0.2490636 0.2742242 0.7274929), wk = 0.0032051 k( 49) = ( -0.2383549 0.2624336 0.7394114), wk = 0.0032051 k( 50) = ( -0.2276461 0.2506431 0.7513299), wk = 0.0032051 k( 51) = ( -0.2169374 0.2388526 0.7632483), wk = 0.0032051 k( 52) = ( -0.2062286 0.2270620 0.7751668), wk = 0.0032051 k( 53) = ( -0.2062286 0.2270620 0.7751668), wk = 0.0032051 k( 54) = ( -0.1924801 0.2119246 0.7751668), wk = 0.0032051 k( 55) = ( -0.1787315 0.1967871 0.7751668), wk = 0.0032051 k( 56) = ( -0.1649829 0.1816496 0.7751668), wk = 0.0032051 k( 57) = ( -0.1512343 0.1665121 0.7751668), wk = 0.0032051 k( 58) = ( -0.1374858 0.1513747 0.7751668), wk = 0.0032051 k( 59) = ( -0.1237372 0.1362372 0.7751668), wk = 0.0032051 k( 60) = ( -0.1099886 0.1210997 0.7751669), wk = 0.0032051 k( 61) = ( -0.0962400 0.1059623 0.7751668), wk = 0.0032051 k( 62) = ( -0.0824915 0.0908248 0.7751669), wk = 0.0032051 k( 63) = ( -0.0687429 0.0756873 0.7751668), wk = 0.0032051 k( 64) = ( -0.0549943 0.0605499 0.7751668), wk = 0.0032051 k( 65) = ( -0.0412457 0.0454124 0.7751668), wk = 0.0032051 k( 66) = ( -0.0274972 0.0302749 0.7751668), wk = 0.0032051 k( 67) = ( -0.0137486 0.0151375 0.7751668), wk = 0.0032051 k( 68) = ( 0.0000000 0.0000000 0.7751668), wk = 0.0032051 k( 69) = ( 0.0000000 0.0000000 0.7751668), wk = 0.0032051 k( 70) = ( 0.0147059 0.0133566 0.7751668), wk = 0.0032051 k( 71) = ( 0.0294118 0.0267132 0.7751668), wk = 0.0032051 k( 72) = ( 0.0441177 0.0400698 0.7751668), wk = 0.0032051 k( 73) = ( 0.0588235 0.0534264 0.7751668), wk = 0.0032051 k( 74) = ( 0.0735294 0.0667829 0.7751668), wk = 0.0032051 k( 75) = ( 0.0882353 0.0801395 0.7751668), wk = 0.0032051 k( 76) = ( 0.1029412 0.0934961 0.7751668), wk = 0.0032051 k( 77) = ( 0.1176471 0.1068527 0.7751668), wk = 0.0032051 k( 78) = ( 0.1323529 0.1202093 0.7751668), wk = 0.0032051 k( 79) = ( 0.1470588 0.1335659 0.7751668), wk = 0.0032051 k( 80) = ( 0.1617647 0.1469225 0.7751668), wk = 0.0032051 k( 81) = ( 0.1764706 0.1602791 0.7751668), wk = 0.0032051 k( 82) = ( 0.1911765 0.1736357 0.7751668), wk = 0.0032051 k( 83) = ( 0.2058823 0.1869922 0.7751668), wk = 0.0032051 k( 84) = ( 0.2205882 0.2003488 0.7751668), wk = 0.0032051 k( 85) = ( 0.2352941 0.2137054 0.7751668), wk = 0.0032051 k( 86) = ( 0.2500000 0.2270620 0.7751668), wk = 0.0032051 k( 87) = ( 0.2500000 0.2270620 0.7751668), wk = 0.0032051 k( 88) = ( 0.2391304 0.2390296 0.7630693), wk = 0.0032051 k( 89) = ( 0.2282609 0.2509973 0.7509719), wk = 0.0032051 k( 90) = ( 0.2173913 0.2629649 0.7388744), wk = 0.0032051 k( 91) = ( 0.2065217 0.2749325 0.7267769), wk = 0.0032051 k( 92) = ( 0.1956522 0.2869001 0.7146794), wk = 0.0032051 k( 93) = ( 0.1847826 0.2988677 0.7025819), wk = 0.0032051 k( 94) = ( 0.1739130 0.3108353 0.6904844), wk = 0.0032051 k( 95) = ( 0.1630435 0.3228030 0.6783869), wk = 0.0032051 k( 96) = ( 0.1521739 0.3347706 0.6662894), wk = 0.0032051 k( 97) = ( 0.1413043 0.3467382 0.6541919), wk = 0.0032051 k( 98) = ( 0.1304348 0.3587058 0.6420945), wk = 0.0032051 k( 99) = ( 0.1195652 0.3706734 0.6299970), wk = 0.0032051 k( 100) = ( 0.1086957 0.3826410 0.6178995), wk = 0.0032051 k( 101) = ( 0.0978261 0.3946087 0.6058020), wk = 0.0032051 k( 102) = ( 0.0869565 0.4065763 0.5937045), wk = 0.0032051 k( 103) = ( 0.0760870 0.4185439 0.5816070), wk = 0.0032051 k( 104) = ( 0.0652174 0.4305115 0.5695095), wk = 0.0032051 k( 105) = ( 0.0543478 0.4424791 0.5574120), wk = 0.0032051 k( 106) = ( 0.0434783 0.4544467 0.5453145), wk = 0.0032051 k( 107) = ( 0.0326087 0.4664144 0.5332170), wk = 0.0032051 k( 108) = ( 0.0217391 0.4783820 0.5211196), wk = 0.0032051 k( 109) = ( 0.0108696 0.4903496 0.5090221), wk = 0.0032051 k( 110) = ( 0.0000000 0.5023172 0.4969246), wk = 0.0032051 k( 111) = ( 0.0000000 0.5023172 0.4969246), wk = 0.0032051 k( 112) = ( 0.0170539 0.5099782 0.4891804), wk = 0.0032051 k( 113) = ( 0.0341079 0.5176392 0.4814363), wk = 0.0032051 k( 114) = ( 0.0511618 0.5253003 0.4736921), wk = 0.0032051 k( 115) = ( 0.0682157 0.5329613 0.4659480), wk = 0.0032051 k( 116) = ( 0.0852697 0.5406223 0.4582038), wk = 0.0032051 k( 117) = ( 0.1023236 0.5482833 0.4504597), wk = 0.0032051 k( 118) = ( 0.1193775 0.5559443 0.4427155), wk = 0.0032051 k( 119) = ( 0.1364315 0.5636053 0.4349714), wk = 0.0032051 k( 120) = ( 0.1534854 0.5712663 0.4272272), wk = 0.0032051 k( 121) = ( 0.1705393 0.5789273 0.4194831), wk = 0.0032051 k( 122) = ( 0.1875933 0.5865883 0.4117389), wk = 0.0032051 k( 123) = ( 0.2046472 0.5942494 0.4039948), wk = 0.0032051 k( 124) = ( 0.2217011 0.6019104 0.3962506), wk = 0.0032051 k( 125) = ( 0.2387551 0.6095714 0.3885065), wk = 0.0032051 k( 126) = ( 0.2558090 0.6172324 0.3807623), wk = 0.0032051 k( 127) = ( 0.2728629 0.6248934 0.3730182), wk = 0.0032051 k( 128) = ( 0.2899169 0.6325544 0.3652740), wk = 0.0032051 k( 129) = ( 0.3069708 0.6402154 0.3575299), wk = 0.0032051 k( 130) = ( 0.3240247 0.6478765 0.3497857), wk = 0.0032051 k( 131) = ( 0.3240247 0.6478765 0.3497857), wk = 0.0032051 k( 132) = ( 0.3320236 0.6390695 0.3338864), wk = 0.0032051 k( 133) = ( 0.3400225 0.6302626 0.3179870), wk = 0.0032051 k( 134) = ( 0.3480214 0.6214557 0.3020877), wk = 0.0032051 k( 135) = ( 0.3560202 0.6126487 0.2861883), wk = 0.0032051 k( 136) = ( 0.3640191 0.6038418 0.2702890), wk = 0.0032051 k( 137) = ( 0.3720180 0.5950349 0.2543896), wk = 0.0032051 k( 138) = ( 0.3800169 0.5862280 0.2384903), wk = 0.0032051 k( 139) = ( 0.3880157 0.5774210 0.2225909), wk = 0.0032051 k( 140) = ( 0.3960146 0.5686141 0.2066916), wk = 0.0032051 k( 141) = ( 0.4040135 0.5598072 0.1907922), wk = 0.0032051 k( 142) = ( 0.4120124 0.5510002 0.1748929), wk = 0.0032051 k( 143) = ( 0.4200113 0.5421933 0.1589935), wk = 0.0032051 k( 144) = ( 0.4280101 0.5333864 0.1430942), wk = 0.0032051 k( 145) = ( 0.4360090 0.5245795 0.1271948), wk = 0.0032051 k( 146) = ( 0.4440079 0.5157725 0.1112955), wk = 0.0032051 k( 147) = ( 0.4520068 0.5069656 0.0953961), wk = 0.0032051 k( 148) = ( 0.4600056 0.4981587 0.0794968), wk = 0.0032051 k( 149) = ( 0.4680045 0.4893517 0.0635974), wk = 0.0032051 k( 150) = ( 0.4760034 0.4805448 0.0476981), wk = 0.0032051 k( 151) = ( 0.4840023 0.4717379 0.0317987), wk = 0.0032051 k( 152) = ( 0.4920011 0.4629310 0.0158994), wk = 0.0032051 k( 153) = ( 0.5000000 0.4541240 0.0000000), wk = 0.0032051 k( 154) = ( 0.5000000 0.4541240 0.0000000), wk = 0.0032051 k( 155) = ( 0.4848485 0.4403627 0.0000000), wk = 0.0032051 k( 156) = ( 0.4696970 0.4266014 0.0000000), wk = 0.0032051 k( 157) = ( 0.4545455 0.4128400 0.0000000), wk = 0.0032051 k( 158) = ( 0.4393939 0.3990787 0.0000000), wk = 0.0032051 k( 159) = ( 0.4242424 0.3853174 0.0000000), wk = 0.0032051 k( 160) = ( 0.4090909 0.3715560 0.0000000), wk = 0.0032051 k( 161) = ( 0.3939394 0.3577947 0.0000000), wk = 0.0032051 k( 162) = ( 0.3787879 0.3440334 0.0000000), wk = 0.0032051 k( 163) = ( 0.3636364 0.3302720 0.0000000), wk = 0.0032051 k( 164) = ( 0.3484849 0.3165107 0.0000000), wk = 0.0032051 k( 165) = ( 0.3333333 0.3027494 0.0000000), wk = 0.0032051 k( 166) = ( 0.3181818 0.2889880 0.0000000), wk = 0.0032051 k( 167) = ( 0.3030303 0.2752267 0.0000000), wk = 0.0032051 k( 168) = ( 0.2878788 0.2614654 0.0000000), wk = 0.0032051 k( 169) = ( 0.2727273 0.2477040 0.0000000), wk = 0.0032051 k( 170) = ( 0.2575758 0.2339427 0.0000000), wk = 0.0032051 k( 171) = ( 0.2424242 0.2201814 0.0000000), wk = 0.0032051 k( 172) = ( 0.2272727 0.2064200 0.0000000), wk = 0.0032051 k( 173) = ( 0.2121212 0.1926587 0.0000000), wk = 0.0032051 k( 174) = ( 0.1969697 0.1788974 0.0000000), wk = 0.0032051 k( 175) = ( 0.1818182 0.1651360 0.0000000), wk = 0.0032051 k( 176) = ( 0.1666667 0.1513747 0.0000000), wk = 0.0032051 k( 177) = ( 0.1515151 0.1376133 0.0000000), wk = 0.0032051 k( 178) = ( 0.1363636 0.1238520 0.0000000), wk = 0.0032051 k( 179) = ( 0.1212121 0.1100907 0.0000000), wk = 0.0032051 k( 180) = ( 0.1060606 0.0963293 0.0000000), wk = 0.0032051 k( 181) = ( 0.0909091 0.0825680 0.0000000), wk = 0.0032051 k( 182) = ( 0.0757576 0.0688067 0.0000000), wk = 0.0032051 k( 183) = ( 0.0606061 0.0550453 0.0000000), wk = 0.0032051 k( 184) = ( 0.0454546 0.0412840 0.0000000), wk = 0.0032051 k( 185) = ( 0.0303030 0.0275227 0.0000000), wk = 0.0032051 k( 186) = ( 0.0151515 0.0137613 0.0000000), wk = 0.0032051 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 189) = ( 0.0109201 -0.0120233 0.0121537), wk = 0.0032051 k( 190) = ( 0.0218402 -0.0240465 0.0243075), wk = 0.0032051 k( 191) = ( 0.0327603 -0.0360698 0.0364612), wk = 0.0032051 k( 192) = ( 0.0436805 -0.0480931 0.0486150), wk = 0.0032051 k( 193) = ( 0.0546006 -0.0601164 0.0607687), wk = 0.0032051 k( 194) = ( 0.0655207 -0.0721396 0.0729225), wk = 0.0032051 k( 195) = ( 0.0764408 -0.0841629 0.0850762), wk = 0.0032051 k( 196) = ( 0.0873609 -0.0961862 0.0972300), wk = 0.0032051 k( 197) = ( 0.0982810 -0.1082094 0.1093837), wk = 0.0032051 k( 198) = ( 0.1092011 -0.1202327 0.1215375), wk = 0.0032051 k( 199) = ( 0.1201212 -0.1322560 0.1336912), wk = 0.0032051 k( 200) = ( 0.1310413 -0.1442792 0.1458450), wk = 0.0032051 k( 201) = ( 0.1419614 -0.1563025 0.1579987), wk = 0.0032051 k( 202) = ( 0.1528816 -0.1683258 0.1701524), wk = 0.0032051 k( 203) = ( 0.1638017 -0.1803490 0.1823062), wk = 0.0032051 k( 204) = ( 0.1747218 -0.1923723 0.1944599), wk = 0.0032051 k( 205) = ( 0.1856419 -0.2043956 0.2066137), wk = 0.0032051 k( 206) = ( 0.1965620 -0.2164189 0.2187674), wk = 0.0032051 k( 207) = ( 0.2074821 -0.2284421 0.2309212), wk = 0.0032051 k( 208) = ( 0.2184022 -0.2404654 0.2430749), wk = 0.0032051 k( 209) = ( 0.2293223 -0.2524887 0.2552287), wk = 0.0032051 k( 210) = ( 0.2402424 -0.2645119 0.2673824), wk = 0.0032051 k( 211) = ( 0.2511626 -0.2765352 0.2795362), wk = 0.0032051 k( 212) = ( 0.2620827 -0.2885585 0.2916899), wk = 0.0032051 k( 213) = ( 0.2730028 -0.3005817 0.3038437), wk = 0.0032051 k( 214) = ( 0.2839229 -0.3126050 0.3159974), wk = 0.0032051 k( 215) = ( 0.2948430 -0.3246283 0.3281512), wk = 0.0032051 k( 216) = ( 0.3057631 -0.3366515 0.3403049), wk = 0.0032051 k( 217) = ( 0.3166832 -0.3486748 0.3524586), wk = 0.0032051 k( 218) = ( 0.3276033 -0.3606981 0.3646124), wk = 0.0032051 k( 219) = ( 0.3385235 -0.3727214 0.3767661), wk = 0.0032051 k( 220) = ( 0.3494436 -0.3847446 0.3889199), wk = 0.0032051 k( 221) = ( 0.3603637 -0.3967679 0.4010736), wk = 0.0032051 k( 222) = ( 0.3712838 -0.4087912 0.4132274), wk = 0.0032051 k( 223) = ( 0.3822039 -0.4208144 0.4253811), wk = 0.0032051 k( 224) = ( 0.3822039 -0.4208144 0.4253811), wk = 0.0032051 k( 225) = ( 0.3878132 -0.4030706 0.4183745), wk = 0.0032051 k( 226) = ( 0.3934226 -0.3853267 0.4113679), wk = 0.0032051 k( 227) = ( 0.3990319 -0.3675828 0.4043613), wk = 0.0032051 k( 228) = ( 0.4046413 -0.3498390 0.3973547), wk = 0.0032051 k( 229) = ( 0.4102506 -0.3320951 0.3903481), wk = 0.0032051 k( 230) = ( 0.4158599 -0.3143512 0.3833415), wk = 0.0032051 k( 231) = ( 0.4214693 -0.2966073 0.3763348), wk = 0.0032051 k( 232) = ( 0.4270786 -0.2788635 0.3693282), wk = 0.0032051 k( 233) = ( 0.4326879 -0.2611196 0.3623216), wk = 0.0032051 k( 234) = ( 0.4382973 -0.2433757 0.3553150), wk = 0.0032051 k( 235) = ( 0.4439066 -0.2256319 0.3483084), wk = 0.0032051 k( 236) = ( 0.4495160 -0.2078880 0.3413018), wk = 0.0032051 k( 237) = ( 0.4551253 -0.1901441 0.3342952), wk = 0.0032051 k( 238) = ( 0.4607346 -0.1724003 0.3272886), wk = 0.0032051 k( 239) = ( 0.4663440 -0.1546564 0.3202819), wk = 0.0032051 k( 240) = ( 0.4719533 -0.1369125 0.3132753), wk = 0.0032051 k( 241) = ( 0.4775626 -0.1191686 0.3062687), wk = 0.0032051 k( 242) = ( 0.4831720 -0.1014248 0.2992621), wk = 0.0032051 k( 243) = ( 0.4887813 -0.0836809 0.2922555), wk = 0.0032051 k( 244) = ( 0.4943907 -0.0659370 0.2852489), wk = 0.0032051 k( 245) = ( 0.5000000 -0.0481932 0.2782423), wk = 0.0032051 k( 246) = ( 0.5000000 -0.0481932 0.2782423), wk = 0.0032051 k( 247) = ( 0.4919355 -0.0393140 0.2942721), wk = 0.0032051 k( 248) = ( 0.4838710 -0.0304348 0.3103019), wk = 0.0032051 k( 249) = ( 0.4758064 -0.0215556 0.3263317), wk = 0.0032051 k( 250) = ( 0.4677419 -0.0126764 0.3423616), wk = 0.0032051 k( 251) = ( 0.4596774 -0.0037972 0.3583914), wk = 0.0032051 k( 252) = ( 0.4516129 0.0050820 0.3744212), wk = 0.0032051 k( 253) = ( 0.4435484 0.0139612 0.3904510), wk = 0.0032051 k( 254) = ( 0.4354839 0.0228404 0.4064809), wk = 0.0032051 k( 255) = ( 0.4274193 0.0317196 0.4225107), wk = 0.0032051 k( 256) = ( 0.4193548 0.0405988 0.4385405), wk = 0.0032051 k( 257) = ( 0.4112903 0.0494780 0.4545703), wk = 0.0032051 k( 258) = ( 0.4032258 0.0583572 0.4706002), wk = 0.0032051 k( 259) = ( 0.3951613 0.0672364 0.4866300), wk = 0.0032051 k( 260) = ( 0.3870968 0.0761156 0.5026598), wk = 0.0032051 k( 261) = ( 0.3790323 0.0849948 0.5186896), wk = 0.0032051 k( 262) = ( 0.3709677 0.0938740 0.5347195), wk = 0.0032051 k( 263) = ( 0.3629032 0.1027532 0.5507493), wk = 0.0032051 k( 264) = ( 0.3548387 0.1116324 0.5667791), wk = 0.0032051 k( 265) = ( 0.3467742 0.1205116 0.5828090), wk = 0.0032051 k( 266) = ( 0.3387097 0.1293908 0.5988388), wk = 0.0032051 k( 267) = ( 0.3306452 0.1382700 0.6148686), wk = 0.0032051 k( 268) = ( 0.3225807 0.1471492 0.6308984), wk = 0.0032051 k( 269) = ( 0.3145161 0.1560284 0.6469282), wk = 0.0032051 k( 270) = ( 0.3064516 0.1649076 0.6629581), wk = 0.0032051 k( 271) = ( 0.2983871 0.1737868 0.6789879), wk = 0.0032051 k( 272) = ( 0.2903226 0.1826660 0.6950177), wk = 0.0032051 k( 273) = ( 0.2822581 0.1915452 0.7110476), wk = 0.0032051 k( 274) = ( 0.2741936 0.2004244 0.7270774), wk = 0.0032051 k( 275) = ( 0.2661290 0.2093036 0.7431072), wk = 0.0032051 k( 276) = ( 0.2580645 0.2181828 0.7591370), wk = 0.0032051 k( 277) = ( 0.2500000 0.2270620 0.7751668), wk = 0.0032051 k( 278) = ( 0.2062286 -0.2270620 0.7751668), wk = 0.0032051 k( 279) = ( 0.2142275 -0.2358689 0.7592675), wk = 0.0032051 k( 280) = ( 0.2222264 -0.2446759 0.7433681), wk = 0.0032051 k( 281) = ( 0.2302253 -0.2534828 0.7274688), wk = 0.0032051 k( 282) = ( 0.2382241 -0.2622897 0.7115694), wk = 0.0032051 k( 283) = ( 0.2462230 -0.2710967 0.6956701), wk = 0.0032051 k( 284) = ( 0.2542219 -0.2799036 0.6797707), wk = 0.0032051 k( 285) = ( 0.2622208 -0.2887105 0.6638714), wk = 0.0032051 k( 286) = ( 0.2702196 -0.2975174 0.6479720), wk = 0.0032051 k( 287) = ( 0.2782185 -0.3063244 0.6320727), wk = 0.0032051 k( 288) = ( 0.2862174 -0.3151313 0.6161733), wk = 0.0032051 k( 289) = ( 0.2942163 -0.3239382 0.6002740), wk = 0.0032051 k( 290) = ( 0.3022151 -0.3327452 0.5843746), wk = 0.0032051 k( 291) = ( 0.3102140 -0.3415521 0.5684753), wk = 0.0032051 k( 292) = ( 0.3182129 -0.3503590 0.5525759), wk = 0.0032051 k( 293) = ( 0.3262118 -0.3591659 0.5366766), wk = 0.0032051 k( 294) = ( 0.3342106 -0.3679729 0.5207772), wk = 0.0032051 k( 295) = ( 0.3422095 -0.3767798 0.5048779), wk = 0.0032051 k( 296) = ( 0.3502084 -0.3855867 0.4889785), wk = 0.0032051 k( 297) = ( 0.3582073 -0.3943937 0.4730792), wk = 0.0032051 k( 298) = ( 0.3662062 -0.4032006 0.4571798), wk = 0.0032051 k( 299) = ( 0.3742050 -0.4120075 0.4412805), wk = 0.0032051 k( 300) = ( 0.3822039 -0.4208144 0.4253811), wk = 0.0032051 k( 301) = ( 0.6177961 0.3244281 0.1311034), wk = 0.0032051 k( 302) = ( 0.6070874 0.3362186 0.1191849), wk = 0.0032051 k( 303) = ( 0.5963786 0.3480092 0.1072664), wk = 0.0032051 k( 304) = ( 0.5856699 0.3597997 0.0953479), wk = 0.0032051 k( 305) = ( 0.5749612 0.3715903 0.0834294), wk = 0.0032051 k( 306) = ( 0.5642524 0.3833808 0.0715110), wk = 0.0032051 k( 307) = ( 0.5535437 0.3951713 0.0595925), wk = 0.0032051 k( 308) = ( 0.5428350 0.4069619 0.0476740), wk = 0.0032051 k( 309) = ( 0.5321262 0.4187524 0.0357555), wk = 0.0032051 k( 310) = ( 0.5214175 0.4305430 0.0238370), wk = 0.0032051 k( 311) = ( 0.5107087 0.4423335 0.0119185), wk = 0.0032051 k( 312) = ( 0.5000000 0.4541240 0.0000000), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( -0.0083083 0.0083083 0.0083083), wk = 0.0032051 k( 3) = ( -0.0166167 0.0166166 0.0166167), wk = 0.0032051 k( 4) = ( -0.0249250 0.0249250 0.0249250), wk = 0.0032051 k( 5) = ( -0.0332333 0.0332333 0.0332333), wk = 0.0032051 k( 6) = ( -0.0415416 0.0415416 0.0415416), wk = 0.0032051 k( 7) = ( -0.0498500 0.0498500 0.0498500), wk = 0.0032051 k( 8) = ( -0.0581583 0.0581583 0.0581583), wk = 0.0032051 k( 9) = ( -0.0664666 0.0664666 0.0664666), wk = 0.0032051 k( 10) = ( -0.0747749 0.0747749 0.0747749), wk = 0.0032051 k( 11) = ( -0.0830833 0.0830833 0.0830833), wk = 0.0032051 k( 12) = ( -0.0913916 0.0913916 0.0913916), wk = 0.0032051 k( 13) = ( -0.0996999 0.0996999 0.0996999), wk = 0.0032051 k( 14) = ( -0.1080083 0.1080083 0.1080083), wk = 0.0032051 k( 15) = ( -0.1163166 0.1163166 0.1163166), wk = 0.0032051 k( 16) = ( -0.1246249 0.1246249 0.1246249), wk = 0.0032051 k( 17) = ( -0.1329332 0.1329332 0.1329332), wk = 0.0032051 k( 18) = ( -0.1412415 0.1412415 0.1412416), wk = 0.0032051 k( 19) = ( -0.1495499 0.1495499 0.1495499), wk = 0.0032051 k( 20) = ( -0.1578582 0.1578582 0.1578582), wk = 0.0032051 k( 21) = ( -0.1661665 0.1661665 0.1661665), wk = 0.0032051 k( 22) = ( -0.1744749 0.1744749 0.1744749), wk = 0.0032051 k( 23) = ( -0.1827832 0.1827832 0.1827832), wk = 0.0032051 k( 24) = ( -0.1910915 0.1910915 0.1910915), wk = 0.0032051 k( 25) = ( -0.1993998 0.1993998 0.1993998), wk = 0.0032051 k( 26) = ( -0.2077082 0.2077082 0.2077082), wk = 0.0032051 k( 27) = ( -0.2160165 0.2160165 0.2160165), wk = 0.0032051 k( 28) = ( -0.2243248 0.2243248 0.2243248), wk = 0.0032051 k( 29) = ( -0.2326332 0.2326331 0.2326332), wk = 0.0032051 k( 30) = ( -0.2409415 0.2409415 0.2409415), wk = 0.0032051 k( 31) = ( -0.2492498 0.2492498 0.2492498), wk = 0.0032051 k( 32) = ( -0.2575581 0.2575581 0.2575581), wk = 0.0032051 k( 33) = ( -0.2658664 0.2658664 0.2658664), wk = 0.0032051 k( 34) = ( -0.2741748 0.2741748 0.2741748), wk = 0.0032051 k( 35) = ( -0.2824831 0.2824831 0.2824831), wk = 0.0032051 k( 36) = ( -0.2907914 0.2907914 0.2907914), wk = 0.0032051 k( 37) = ( -0.2990998 0.2990998 0.2990998), wk = 0.0032051 k( 38) = ( -0.3074081 0.3074081 0.3074081), wk = 0.0032051 k( 39) = ( -0.3157164 0.3157164 0.3157164), wk = 0.0032051 k( 40) = ( -0.3240247 0.3240247 0.3240247), wk = 0.0032051 k( 41) = ( -0.3240247 0.3240247 0.3240247), wk = 0.0032051 k( 42) = ( -0.3133160 0.3133160 0.3347335), wk = 0.0032051 k( 43) = ( -0.3026073 0.3026073 0.3454422), wk = 0.0032051 k( 44) = ( -0.2918985 0.2918985 0.3561510), wk = 0.0032051 k( 45) = ( -0.2811898 0.2811898 0.3668597), wk = 0.0032051 k( 46) = ( -0.2704811 0.2704811 0.3775684), wk = 0.0032051 k( 47) = ( -0.2597723 0.2597723 0.3882772), wk = 0.0032051 k( 48) = ( -0.2490636 0.2490636 0.3989859), wk = 0.0032051 k( 49) = ( -0.2383549 0.2383549 0.4096946), wk = 0.0032051 k( 50) = ( -0.2276461 0.2276461 0.4204034), wk = 0.0032051 k( 51) = ( -0.2169374 0.2169374 0.4311121), wk = 0.0032051 k( 52) = ( -0.2062286 0.2062286 0.4418208), wk = 0.0032051 k( 53) = ( -0.2062286 0.2062286 0.4418208), wk = 0.0032051 k( 54) = ( -0.1924801 0.1924801 0.4456995), wk = 0.0032051 k( 55) = ( -0.1787315 0.1787315 0.4495781), wk = 0.0032051 k( 56) = ( -0.1649829 0.1649829 0.4534567), wk = 0.0032051 k( 57) = ( -0.1512343 0.1512343 0.4573353), wk = 0.0032051 k( 58) = ( -0.1374858 0.1374858 0.4612139), wk = 0.0032051 k( 59) = ( -0.1237372 0.1237372 0.4650925), wk = 0.0032051 k( 60) = ( -0.1099886 0.1099886 0.4689711), wk = 0.0032051 k( 61) = ( -0.0962400 0.0962400 0.4728497), wk = 0.0032051 k( 62) = ( -0.0824915 0.0824915 0.4767283), wk = 0.0032051 k( 63) = ( -0.0687429 0.0687429 0.4806070), wk = 0.0032051 k( 64) = ( -0.0549943 0.0549943 0.4844856), wk = 0.0032051 k( 65) = ( -0.0412457 0.0412457 0.4883642), wk = 0.0032051 k( 66) = ( -0.0274972 0.0274971 0.4922428), wk = 0.0032051 k( 67) = ( -0.0137486 0.0137486 0.4961214), wk = 0.0032051 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 70) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0032051 k( 71) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0032051 k( 72) = ( 0.0441177 0.0441176 0.4558824), wk = 0.0032051 k( 73) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0032051 k( 74) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0032051 k( 75) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0032051 k( 76) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0032051 k( 77) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0032051 k( 78) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0032051 k( 79) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0032051 k( 80) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0032051 k( 81) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0032051 k( 82) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0032051 k( 83) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0032051 k( 84) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0032051 k( 85) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0032051 k( 86) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 87) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 88) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0032051 k( 89) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0032051 k( 90) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0032051 k( 91) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0032051 k( 92) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0032051 k( 93) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0032051 k( 94) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0032051 k( 95) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0032051 k( 96) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0032051 k( 97) = ( 0.1413043 0.3586956 0.1413044), wk = 0.0032051 k( 98) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0032051 k( 99) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0032051 k( 100) = ( 0.1086957 0.3913043 0.1086957), wk = 0.0032051 k( 101) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0032051 k( 102) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0032051 k( 103) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0032051 k( 104) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0032051 k( 105) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0032051 k( 106) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0032051 k( 107) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0032051 k( 108) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0032051 k( 109) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0032051 k( 110) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032051 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032051 k( 112) = ( 0.0170539 0.5092619 -0.0170539), wk = 0.0032051 k( 113) = ( 0.0341079 0.5185237 -0.0341079), wk = 0.0032051 k( 114) = ( 0.0511618 0.5277856 -0.0511618), wk = 0.0032051 k( 115) = ( 0.0682157 0.5370474 -0.0682157), wk = 0.0032051 k( 116) = ( 0.0852697 0.5463093 -0.0852697), wk = 0.0032051 k( 117) = ( 0.1023236 0.5555711 -0.1023236), wk = 0.0032051 k( 118) = ( 0.1193775 0.5648330 -0.1193775), wk = 0.0032051 k( 119) = ( 0.1364315 0.5740948 -0.1364315), wk = 0.0032051 k( 120) = ( 0.1534854 0.5833567 -0.1534854), wk = 0.0032051 k( 121) = ( 0.1705393 0.5926186 -0.1705393), wk = 0.0032051 k( 122) = ( 0.1875933 0.6018804 -0.1875933), wk = 0.0032051 k( 123) = ( 0.2046472 0.6111423 -0.2046472), wk = 0.0032051 k( 124) = ( 0.2217011 0.6204041 -0.2217011), wk = 0.0032051 k( 125) = ( 0.2387551 0.6296660 -0.2387551), wk = 0.0032051 k( 126) = ( 0.2558090 0.6389278 -0.2558090), wk = 0.0032051 k( 127) = ( 0.2728629 0.6481897 -0.2728629), wk = 0.0032051 k( 128) = ( 0.2899169 0.6574515 -0.2899169), wk = 0.0032051 k( 129) = ( 0.3069708 0.6667134 -0.3069708), wk = 0.0032051 k( 130) = ( 0.3240247 0.6759753 -0.3240247), wk = 0.0032051 k( 131) = ( 0.3240247 0.6759753 -0.3240247), wk = 0.0032051 k( 132) = ( 0.3320236 0.6679764 -0.3320236), wk = 0.0032051 k( 133) = ( 0.3400225 0.6599775 -0.3400225), wk = 0.0032051 k( 134) = ( 0.3480214 0.6519786 -0.3480214), wk = 0.0032051 k( 135) = ( 0.3560202 0.6439798 -0.3560202), wk = 0.0032051 k( 136) = ( 0.3640191 0.6359809 -0.3640191), wk = 0.0032051 k( 137) = ( 0.3720180 0.6279820 -0.3720180), wk = 0.0032051 k( 138) = ( 0.3800169 0.6199831 -0.3800169), wk = 0.0032051 k( 139) = ( 0.3880157 0.6119843 -0.3880157), wk = 0.0032051 k( 140) = ( 0.3960146 0.6039854 -0.3960146), wk = 0.0032051 k( 141) = ( 0.4040135 0.5959865 -0.4040135), wk = 0.0032051 k( 142) = ( 0.4120124 0.5879876 -0.4120124), wk = 0.0032051 k( 143) = ( 0.4200113 0.5799887 -0.4200113), wk = 0.0032051 k( 144) = ( 0.4280101 0.5719899 -0.4280101), wk = 0.0032051 k( 145) = ( 0.4360090 0.5639910 -0.4360090), wk = 0.0032051 k( 146) = ( 0.4440079 0.5559921 -0.4440079), wk = 0.0032051 k( 147) = ( 0.4520068 0.5479932 -0.4520068), wk = 0.0032051 k( 148) = ( 0.4600056 0.5399944 -0.4600056), wk = 0.0032051 k( 149) = ( 0.4680045 0.5319955 -0.4680045), wk = 0.0032051 k( 150) = ( 0.4760034 0.5239966 -0.4760034), wk = 0.0032051 k( 151) = ( 0.4840023 0.5159978 -0.4840022), wk = 0.0032051 k( 152) = ( 0.4920011 0.5079989 -0.4920011), wk = 0.0032051 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 155) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0032051 k( 156) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0032051 k( 157) = ( 0.4545455 0.4545454 -0.4545455), wk = 0.0032051 k( 158) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0032051 k( 159) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0032051 k( 160) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0032051 k( 161) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0032051 k( 162) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0032051 k( 163) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0032051 k( 164) = ( 0.3484849 0.3484848 -0.3484848), wk = 0.0032051 k( 165) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0032051 k( 166) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0032051 k( 167) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0032051 k( 168) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0032051 k( 169) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0032051 k( 170) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0032051 k( 171) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0032051 k( 172) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0032051 k( 173) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0032051 k( 174) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0032051 k( 175) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0032051 k( 176) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0032051 k( 177) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0032051 k( 178) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0032051 k( 179) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0032051 k( 180) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0032051 k( 181) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0032051 k( 182) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0032051 k( 183) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0032051 k( 184) = ( 0.0454546 0.0454545 -0.0454545), wk = 0.0032051 k( 185) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0032051 k( 186) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0032051 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 189) = ( 0.0109201 -0.0109201 0.0109201), wk = 0.0032051 k( 190) = ( 0.0218402 -0.0218402 0.0218402), wk = 0.0032051 k( 191) = ( 0.0327603 -0.0327603 0.0327603), wk = 0.0032051 k( 192) = ( 0.0436805 -0.0436805 0.0436805), wk = 0.0032051 k( 193) = ( 0.0546006 -0.0546006 0.0546006), wk = 0.0032051 k( 194) = ( 0.0655207 -0.0655207 0.0655207), wk = 0.0032051 k( 195) = ( 0.0764408 -0.0764408 0.0764408), wk = 0.0032051 k( 196) = ( 0.0873609 -0.0873609 0.0873609), wk = 0.0032051 k( 197) = ( 0.0982810 -0.0982810 0.0982810), wk = 0.0032051 k( 198) = ( 0.1092011 -0.1092011 0.1092011), wk = 0.0032051 k( 199) = ( 0.1201212 -0.1201212 0.1201212), wk = 0.0032051 k( 200) = ( 0.1310413 -0.1310413 0.1310413), wk = 0.0032051 k( 201) = ( 0.1419614 -0.1419614 0.1419614), wk = 0.0032051 k( 202) = ( 0.1528816 -0.1528816 0.1528816), wk = 0.0032051 k( 203) = ( 0.1638017 -0.1638017 0.1638017), wk = 0.0032051 k( 204) = ( 0.1747218 -0.1747218 0.1747218), wk = 0.0032051 k( 205) = ( 0.1856419 -0.1856419 0.1856419), wk = 0.0032051 k( 206) = ( 0.1965620 -0.1965620 0.1965620), wk = 0.0032051 k( 207) = ( 0.2074821 -0.2074821 0.2074821), wk = 0.0032051 k( 208) = ( 0.2184022 -0.2184022 0.2184022), wk = 0.0032051 k( 209) = ( 0.2293223 -0.2293223 0.2293223), wk = 0.0032051 k( 210) = ( 0.2402424 -0.2402424 0.2402425), wk = 0.0032051 k( 211) = ( 0.2511626 -0.2511626 0.2511626), wk = 0.0032051 k( 212) = ( 0.2620827 -0.2620827 0.2620827), wk = 0.0032051 k( 213) = ( 0.2730028 -0.2730028 0.2730028), wk = 0.0032051 k( 214) = ( 0.2839229 -0.2839229 0.2839229), wk = 0.0032051 k( 215) = ( 0.2948430 -0.2948430 0.2948430), wk = 0.0032051 k( 216) = ( 0.3057631 -0.3057631 0.3057631), wk = 0.0032051 k( 217) = ( 0.3166832 -0.3166832 0.3166832), wk = 0.0032051 k( 218) = ( 0.3276033 -0.3276033 0.3276033), wk = 0.0032051 k( 219) = ( 0.3385235 -0.3385235 0.3385235), wk = 0.0032051 k( 220) = ( 0.3494436 -0.3494436 0.3494436), wk = 0.0032051 k( 221) = ( 0.3603637 -0.3603637 0.3603637), wk = 0.0032051 k( 222) = ( 0.3712838 -0.3712838 0.3712838), wk = 0.0032051 k( 223) = ( 0.3822039 -0.3822039 0.3822039), wk = 0.0032051 k( 224) = ( 0.3822039 -0.3822039 0.3822039), wk = 0.0032051 k( 225) = ( 0.3878132 -0.3640037 0.3640037), wk = 0.0032051 k( 226) = ( 0.3934226 -0.3458035 0.3458035), wk = 0.0032051 k( 227) = ( 0.3990319 -0.3276033 0.3276033), wk = 0.0032051 k( 228) = ( 0.4046413 -0.3094032 0.3094032), wk = 0.0032051 k( 229) = ( 0.4102506 -0.2912030 0.2912030), wk = 0.0032051 k( 230) = ( 0.4158599 -0.2730028 0.2730028), wk = 0.0032051 k( 231) = ( 0.4214693 -0.2548026 0.2548026), wk = 0.0032051 k( 232) = ( 0.4270786 -0.2366024 0.2366024), wk = 0.0032051 k( 233) = ( 0.4326879 -0.2184022 0.2184022), wk = 0.0032051 k( 234) = ( 0.4382973 -0.2002020 0.2002020), wk = 0.0032051 k( 235) = ( 0.4439066 -0.1820019 0.1820019), wk = 0.0032051 k( 236) = ( 0.4495160 -0.1638017 0.1638017), wk = 0.0032051 k( 237) = ( 0.4551253 -0.1456015 0.1456015), wk = 0.0032051 k( 238) = ( 0.4607346 -0.1274013 0.1274013), wk = 0.0032051 k( 239) = ( 0.4663440 -0.1092011 0.1092011), wk = 0.0032051 k( 240) = ( 0.4719533 -0.0910009 0.0910009), wk = 0.0032051 k( 241) = ( 0.4775626 -0.0728007 0.0728007), wk = 0.0032051 k( 242) = ( 0.4831720 -0.0546006 0.0546006), wk = 0.0032051 k( 243) = ( 0.4887813 -0.0364004 0.0364004), wk = 0.0032051 k( 244) = ( 0.4943907 -0.0182002 0.0182002), wk = 0.0032051 k( 245) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 246) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 247) = ( 0.4919355 0.0080645 0.0080645), wk = 0.0032051 k( 248) = ( 0.4838710 0.0161290 0.0161290), wk = 0.0032051 k( 249) = ( 0.4758064 0.0241936 0.0241935), wk = 0.0032051 k( 250) = ( 0.4677419 0.0322581 0.0322581), wk = 0.0032051 k( 251) = ( 0.4596774 0.0403226 0.0403226), wk = 0.0032051 k( 252) = ( 0.4516129 0.0483871 0.0483871), wk = 0.0032051 k( 253) = ( 0.4435484 0.0564516 0.0564516), wk = 0.0032051 k( 254) = ( 0.4354839 0.0645161 0.0645161), wk = 0.0032051 k( 255) = ( 0.4274193 0.0725806 0.0725807), wk = 0.0032051 k( 256) = ( 0.4193548 0.0806452 0.0806452), wk = 0.0032051 k( 257) = ( 0.4112903 0.0887097 0.0887097), wk = 0.0032051 k( 258) = ( 0.4032258 0.0967742 0.0967742), wk = 0.0032051 k( 259) = ( 0.3951613 0.1048387 0.1048387), wk = 0.0032051 k( 260) = ( 0.3870968 0.1129032 0.1129032), wk = 0.0032051 k( 261) = ( 0.3790323 0.1209677 0.1209677), wk = 0.0032051 k( 262) = ( 0.3709677 0.1290323 0.1290323), wk = 0.0032051 k( 263) = ( 0.3629032 0.1370968 0.1370968), wk = 0.0032051 k( 264) = ( 0.3548387 0.1451613 0.1451613), wk = 0.0032051 k( 265) = ( 0.3467742 0.1532258 0.1532258), wk = 0.0032051 k( 266) = ( 0.3387097 0.1612903 0.1612903), wk = 0.0032051 k( 267) = ( 0.3306452 0.1693548 0.1693548), wk = 0.0032051 k( 268) = ( 0.3225807 0.1774194 0.1774194), wk = 0.0032051 k( 269) = ( 0.3145161 0.1854839 0.1854839), wk = 0.0032051 k( 270) = ( 0.3064516 0.1935484 0.1935484), wk = 0.0032051 k( 271) = ( 0.2983871 0.2016129 0.2016129), wk = 0.0032051 k( 272) = ( 0.2903226 0.2096774 0.2096774), wk = 0.0032051 k( 273) = ( 0.2822581 0.2177419 0.2177419), wk = 0.0032051 k( 274) = ( 0.2741936 0.2258064 0.2258065), wk = 0.0032051 k( 275) = ( 0.2661290 0.2338710 0.2338710), wk = 0.0032051 k( 276) = ( 0.2580645 0.2419355 0.2419355), wk = 0.0032051 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 278) = ( 0.2062286 -0.2062286 0.5581792), wk = 0.0032051 k( 279) = ( 0.2142275 -0.2142275 0.5501803), wk = 0.0032051 k( 280) = ( 0.2222264 -0.2222264 0.5421814), wk = 0.0032051 k( 281) = ( 0.2302253 -0.2302253 0.5341825), wk = 0.0032051 k( 282) = ( 0.2382241 -0.2382241 0.5261837), wk = 0.0032051 k( 283) = ( 0.2462230 -0.2462230 0.5181848), wk = 0.0032051 k( 284) = ( 0.2542219 -0.2542219 0.5101859), wk = 0.0032051 k( 285) = ( 0.2622208 -0.2622208 0.5021870), wk = 0.0032051 k( 286) = ( 0.2702196 -0.2702197 0.4941882), wk = 0.0032051 k( 287) = ( 0.2782185 -0.2782185 0.4861893), wk = 0.0032051 k( 288) = ( 0.2862174 -0.2862174 0.4781904), wk = 0.0032051 k( 289) = ( 0.2942163 -0.2942163 0.4701915), wk = 0.0032051 k( 290) = ( 0.3022151 -0.3022151 0.4621927), wk = 0.0032051 k( 291) = ( 0.3102140 -0.3102140 0.4541938), wk = 0.0032051 k( 292) = ( 0.3182129 -0.3182129 0.4461949), wk = 0.0032051 k( 293) = ( 0.3262118 -0.3262118 0.4381960), wk = 0.0032051 k( 294) = ( 0.3342106 -0.3342106 0.4301971), wk = 0.0032051 k( 295) = ( 0.3422095 -0.3422095 0.4221983), wk = 0.0032051 k( 296) = ( 0.3502084 -0.3502084 0.4141994), wk = 0.0032051 k( 297) = ( 0.3582073 -0.3582073 0.4062005), wk = 0.0032051 k( 298) = ( 0.3662062 -0.3662062 0.3982017), wk = 0.0032051 k( 299) = ( 0.3742050 -0.3742050 0.3902028), wk = 0.0032051 k( 300) = ( 0.3822039 -0.3822039 0.3822039), wk = 0.0032051 k( 301) = ( 0.6177961 0.3822039 -0.3822039), wk = 0.0032051 k( 302) = ( 0.6070874 0.3929126 -0.3929126), wk = 0.0032051 k( 303) = ( 0.5963786 0.4036214 -0.4036214), wk = 0.0032051 k( 304) = ( 0.5856699 0.4143301 -0.4143301), wk = 0.0032051 k( 305) = ( 0.5749612 0.4250388 -0.4250389), wk = 0.0032051 k( 306) = ( 0.5642524 0.4357476 -0.4357476), wk = 0.0032051 k( 307) = ( 0.5535437 0.4464563 -0.4464563), wk = 0.0032051 k( 308) = ( 0.5428350 0.4571650 -0.4571651), wk = 0.0032051 k( 309) = ( 0.5321262 0.4678738 -0.4678738), wk = 0.0032051 k( 310) = ( 0.5214175 0.4785825 -0.4785825), wk = 0.0032051 k( 311) = ( 0.5107087 0.4892913 -0.4892913), wk = 0.0032051 k( 312) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 Dense grid: 114595 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 810, 38) NL pseudopotentials 1.19 Mb ( 405, 192) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3184) G-vector shells 0.02 Mb ( 2816) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.88 Mb ( 810, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.22 Mb ( 192, 2, 38) The potential is recalculated from file : ./CsS.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.2 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.9 secs Computing kpt #: 14 total cpu time spent up to now is 13.8 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.8 secs Computing kpt #: 17 total cpu time spent up to now is 16.8 secs Computing kpt #: 18 total cpu time spent up to now is 17.8 secs Computing kpt #: 19 total cpu time spent up to now is 18.8 secs Computing kpt #: 20 total cpu time spent up to now is 19.8 secs Computing kpt #: 21 total cpu time spent up to now is 20.8 secs Computing kpt #: 22 total cpu time spent up to now is 21.7 secs Computing kpt #: 23 total cpu time spent up to now is 22.8 secs Computing kpt #: 24 total cpu time spent up to now is 23.8 secs Computing kpt #: 25 total cpu time spent up to now is 24.8 secs Computing kpt #: 26 total cpu time spent up to now is 25.8 secs Computing kpt #: 27 total cpu time spent up to now is 26.8 secs Computing kpt #: 28 total cpu time spent up to now is 27.8 secs Computing kpt #: 29 total cpu time spent up to now is 28.9 secs Computing kpt #: 30 total cpu time spent up to now is 29.9 secs Computing kpt #: 31 total cpu time spent up to now is 31.0 secs Computing kpt #: 32 total cpu time spent up to now is 32.0 secs Computing kpt #: 33 total cpu time spent up to now is 33.0 secs Computing kpt #: 34 total cpu time spent up to now is 34.1 secs Computing kpt #: 35 total cpu time spent up to now is 35.1 secs Computing kpt #: 36 total cpu time spent up to now is 36.0 secs Computing kpt #: 37 total cpu time spent up to now is 37.0 secs Computing kpt #: 38 total cpu time spent up to now is 38.0 secs Computing kpt #: 39 total cpu time spent up to now is 38.9 secs Computing kpt #: 40 total cpu time spent up to now is 39.9 secs Computing kpt #: 41 total cpu time spent up to now is 40.9 secs Computing kpt #: 42 total cpu time spent up to now is 41.9 secs Computing kpt #: 43 total cpu time spent up to now is 42.8 secs Computing kpt #: 44 total cpu time spent up to now is 43.7 secs Computing kpt #: 45 total cpu time spent up to now is 44.7 secs Computing kpt #: 46 total cpu time spent up to now is 45.7 secs Computing kpt #: 47 total cpu time spent up to now is 46.8 secs Computing kpt #: 48 total cpu time spent up to now is 47.9 secs Computing kpt #: 49 total cpu time spent up to now is 49.1 secs Computing kpt #: 50 total cpu time spent up to now is 50.4 secs Computing kpt #: 51 total cpu time spent up to now is 51.4 secs Computing kpt #: 52 total cpu time spent up to now is 52.6 secs Computing kpt #: 53 total cpu time spent up to now is 53.7 secs Computing kpt #: 54 total cpu time spent up to now is 54.7 secs Computing kpt #: 55 total cpu time spent up to now is 55.7 secs Computing kpt #: 56 total cpu time spent up to now is 56.7 secs Computing kpt #: 57 total cpu time spent up to now is 57.6 secs Computing kpt #: 58 total cpu time spent up to now is 58.5 secs Computing kpt #: 59 total cpu time spent up to now is 59.5 secs Computing kpt #: 60 total cpu time spent up to now is 60.4 secs Computing kpt #: 61 total cpu time spent up to now is 61.3 secs Computing kpt #: 62 total cpu time spent up to now is 62.1 secs Computing kpt #: 63 total cpu time spent up to now is 62.9 secs Computing kpt #: 64 total cpu time spent up to now is 63.7 secs Computing kpt #: 65 total cpu time spent up to now is 64.5 secs Computing kpt #: 66 total cpu time spent up to now is 65.3 secs Computing kpt #: 67 total cpu time spent up to now is 66.1 secs Computing kpt #: 68 total cpu time spent up to now is 66.9 secs Computing kpt #: 69 total cpu time spent up to now is 67.7 secs Computing kpt #: 70 total cpu time spent up to now is 68.5 secs Computing kpt #: 71 total cpu time spent up to now is 69.5 secs Computing kpt #: 72 total cpu time spent up to now is 70.4 secs Computing kpt #: 73 total cpu time spent up to now is 71.3 secs Computing kpt #: 74 total cpu time spent up to now is 72.2 secs Computing kpt #: 75 total cpu time spent up to now is 73.1 secs Computing kpt #: 76 total cpu time spent up to now is 74.1 secs Computing kpt #: 77 total cpu time spent up to now is 75.0 secs Computing kpt #: 78 total cpu time spent up to now is 76.0 secs Computing kpt #: 79 total cpu time spent up to now is 77.0 secs Computing kpt #: 80 total cpu time spent up to now is 77.9 secs Computing kpt #: 81 total cpu time spent up to now is 78.9 secs Computing kpt #: 82 total cpu time spent up to now is 79.9 secs Computing kpt #: 83 total cpu time spent up to now is 81.0 secs Computing kpt #: 84 total cpu time spent up to now is 82.0 secs Computing kpt #: 85 total cpu time spent up to now is 82.9 secs Computing kpt #: 86 total cpu time spent up to now is 83.9 secs Computing kpt #: 87 total cpu time spent up to now is 84.9 secs Computing kpt #: 88 total cpu time spent up to now is 85.9 secs Computing kpt #: 89 total cpu time spent up to now is 86.9 secs Computing kpt #: 90 total cpu time spent up to now is 87.9 secs Computing kpt #: 91 total cpu time spent up to now is 88.9 secs Computing kpt #: 92 total cpu time spent up to now is 89.9 secs Computing kpt #: 93 total cpu time spent up to now is 91.0 secs Computing kpt #: 94 total cpu time spent up to now is 92.0 secs Computing kpt #: 95 total cpu time spent up to now is 93.3 secs Computing kpt #: 96 total cpu time spent up to now is 94.5 secs Computing kpt #: 97 total cpu time spent up to now is 95.5 secs Computing kpt #: 98 total cpu time spent up to now is 96.6 secs Computing kpt #: 99 total cpu time spent up to now is 97.7 secs Computing kpt #: 100 total cpu time spent up to now is 98.8 secs Computing kpt #: 101 total cpu time spent up to now is 99.8 secs Computing kpt #: 102 total cpu time spent up to now is 100.9 secs Computing kpt #: 103 total cpu time spent up to now is 102.0 secs Computing kpt #: 104 total cpu time spent up to now is 103.0 secs Computing kpt #: 105 total cpu time spent up to now is 104.1 secs Computing kpt #: 106 total cpu time spent up to now is 105.1 secs Computing kpt #: 107 total cpu time spent up to now is 106.1 secs Computing kpt #: 108 total cpu time spent up to now is 107.2 secs Computing kpt #: 109 total cpu time spent up to now is 108.2 secs Computing kpt #: 110 total cpu time spent up to now is 109.2 secs Computing kpt #: 111 total cpu time spent up to now is 110.2 secs Computing kpt #: 112 total cpu time spent up to now is 111.2 secs Computing kpt #: 113 total cpu time spent up to now is 112.3 secs Computing kpt #: 114 total cpu time spent up to now is 113.3 secs Computing kpt #: 115 total cpu time spent up to now is 114.4 secs Computing kpt #: 116 total cpu time spent up to now is 115.5 secs Computing kpt #: 117 total cpu time spent up to now is 116.6 secs Computing kpt #: 118 total cpu time spent up to now is 117.8 secs Computing kpt #: 119 total cpu time spent up to now is 119.1 secs Computing kpt #: 120 total cpu time spent up to now is 120.3 secs Computing kpt #: 121 total cpu time spent up to now is 121.4 secs Computing kpt #: 122 total cpu time spent up to now is 122.4 secs Computing kpt #: 123 total cpu time spent up to now is 123.5 secs Computing kpt #: 124 total cpu time spent up to now is 124.5 secs Computing kpt #: 125 total cpu time spent up to now is 125.6 secs Computing kpt #: 126 total cpu time spent up to now is 126.6 secs Computing kpt #: 127 total cpu time spent up to now is 127.6 secs Computing kpt #: 128 total cpu time spent up to now is 128.6 secs Computing kpt #: 129 total cpu time spent up to now is 129.6 secs Computing kpt #: 130 total cpu time spent up to now is 130.6 secs Computing kpt #: 131 total cpu time spent up to now is 131.5 secs Computing kpt #: 132 total cpu time spent up to now is 132.5 secs Computing kpt #: 133 total cpu time spent up to now is 133.6 secs Computing kpt #: 134 total cpu time spent up to now is 134.6 secs Computing kpt #: 135 total cpu time spent up to now is 135.6 secs Computing kpt #: 136 total cpu time spent up to now is 136.7 secs Computing kpt #: 137 total cpu time spent up to now is 137.7 secs Computing kpt #: 138 total cpu time spent up to now is 138.8 secs Computing kpt #: 139 total cpu time spent up to now is 139.8 secs Computing kpt #: 140 total cpu time spent up to now is 140.9 secs Computing kpt #: 141 total cpu time spent up to now is 142.0 secs Computing kpt #: 142 total cpu time spent up to now is 143.1 secs Computing kpt #: 143 total cpu time spent up to now is 144.2 secs Computing kpt #: 144 total cpu time spent up to now is 145.3 secs Computing kpt #: 145 total cpu time spent up to now is 146.4 secs Computing kpt #: 146 total cpu time spent up to now is 147.6 secs Computing kpt #: 147 total cpu time spent up to now is 148.8 secs Computing kpt #: 148 total cpu time spent up to now is 150.0 secs Computing kpt #: 149 total cpu time spent up to now is 151.2 secs Computing kpt #: 150 total cpu time spent up to now is 152.4 secs Computing kpt #: 151 total cpu time spent up to now is 153.7 secs Computing kpt #: 152 total cpu time spent up to now is 154.6 secs Computing kpt #: 153 total cpu time spent up to now is 155.8 secs Computing kpt #: 154 total cpu time spent up to now is 156.8 secs Computing kpt #: 155 total cpu time spent up to now is 157.8 secs Computing kpt #: 156 total cpu time spent up to now is 159.0 secs Computing kpt #: 157 total cpu time spent up to now is 160.2 secs Computing kpt #: 158 total cpu time spent up to now is 161.4 secs Computing kpt #: 159 total cpu time spent up to now is 162.6 secs Computing kpt #: 160 total cpu time spent up to now is 163.8 secs Computing kpt #: 161 total cpu time spent up to now is 165.1 secs Computing kpt #: 162 total cpu time spent up to now is 166.3 secs Computing kpt #: 163 total cpu time spent up to now is 167.5 secs Computing kpt #: 164 total cpu time spent up to now is 168.7 secs Computing kpt #: 165 total cpu time spent up to now is 169.9 secs Computing kpt #: 166 total cpu time spent up to now is 171.2 secs Computing kpt #: 167 total cpu time spent up to now is 172.4 secs Computing kpt #: 168 total cpu time spent up to now is 173.6 secs Computing kpt #: 169 total cpu time spent up to now is 174.8 secs Computing kpt #: 170 total cpu time spent up to now is 175.9 secs Computing kpt #: 171 total cpu time spent up to now is 177.0 secs Computing kpt #: 172 total cpu time spent up to now is 178.1 secs Computing kpt #: 173 total cpu time spent up to now is 179.2 secs Computing kpt #: 174 total cpu time spent up to now is 180.2 secs Computing kpt #: 175 total cpu time spent up to now is 181.2 secs Computing kpt #: 176 total cpu time spent up to now is 182.1 secs Computing kpt #: 177 total cpu time spent up to now is 183.1 secs Computing kpt #: 178 total cpu time spent up to now is 184.0 secs Computing kpt #: 179 total cpu time spent up to now is 184.9 secs Computing kpt #: 180 total cpu time spent up to now is 185.7 secs Computing kpt #: 181 total cpu time spent up to now is 186.5 secs Computing kpt #: 182 total cpu time spent up to now is 187.3 secs Computing kpt #: 183 total cpu time spent up to now is 188.0 secs Computing kpt #: 184 total cpu time spent up to now is 188.8 secs Computing kpt #: 185 total cpu time spent up to now is 189.6 secs Computing kpt #: 186 total cpu time spent up to now is 190.4 secs Computing kpt #: 187 total cpu time spent up to now is 191.1 secs Computing kpt #: 188 total cpu time spent up to now is 191.9 secs Computing kpt #: 189 total cpu time spent up to now is 192.7 secs Computing kpt #: 190 total cpu time spent up to now is 193.4 secs Computing kpt #: 191 total cpu time spent up to now is 194.2 secs Computing kpt #: 192 total cpu time spent up to now is 195.0 secs Computing kpt #: 193 total cpu time spent up to now is 195.8 secs Computing kpt #: 194 total cpu time spent up to now is 196.6 secs Computing kpt #: 195 total cpu time spent up to now is 197.3 secs Computing kpt #: 196 total cpu time spent up to now is 198.1 secs Computing kpt #: 197 total cpu time spent up to now is 199.0 secs Computing kpt #: 198 total cpu time spent up to now is 200.0 secs Computing kpt #: 199 total cpu time spent up to now is 200.9 secs Computing kpt #: 200 total cpu time spent up to now is 201.8 secs Computing kpt #: 201 total cpu time spent up to now is 202.8 secs Computing kpt #: 202 total cpu time spent up to now is 203.8 secs Computing kpt #: 203 total cpu time spent up to now is 204.7 secs Computing kpt #: 204 total cpu time spent up to now is 205.7 secs Computing kpt #: 205 total cpu time spent up to now is 206.6 secs Computing kpt #: 206 total cpu time spent up to now is 207.6 secs Computing kpt #: 207 total cpu time spent up to now is 208.6 secs Computing kpt #: 208 total cpu time spent up to now is 209.5 secs Computing kpt #: 209 total cpu time spent up to now is 210.6 secs Computing kpt #: 210 total cpu time spent up to now is 211.9 secs Computing kpt #: 211 total cpu time spent up to now is 213.1 secs Computing kpt #: 212 total cpu time spent up to now is 214.4 secs Computing kpt #: 213 total cpu time spent up to now is 215.6 secs Computing kpt #: 214 total cpu time spent up to now is 216.9 secs Computing kpt #: 215 total cpu time spent up to now is 218.2 secs Computing kpt #: 216 total cpu time spent up to now is 219.4 secs Computing kpt #: 217 total cpu time spent up to now is 220.7 secs Computing kpt #: 218 total cpu time spent up to now is 221.8 secs Computing kpt #: 219 total cpu time spent up to now is 223.0 secs Computing kpt #: 220 total cpu time spent up to now is 224.1 secs Computing kpt #: 221 total cpu time spent up to now is 225.4 secs Computing kpt #: 222 total cpu time spent up to now is 226.7 secs Computing kpt #: 223 total cpu time spent up to now is 228.0 secs Computing kpt #: 224 total cpu time spent up to now is 229.2 secs Computing kpt #: 225 total cpu time spent up to now is 230.5 secs Computing kpt #: 226 total cpu time spent up to now is 231.8 secs Computing kpt #: 227 total cpu time spent up to now is 233.1 secs Computing kpt #: 228 total cpu time spent up to now is 234.3 secs Computing kpt #: 229 total cpu time spent up to now is 235.5 secs Computing kpt #: 230 total cpu time spent up to now is 236.6 secs Computing kpt #: 231 total cpu time spent up to now is 237.7 secs Computing kpt #: 232 total cpu time spent up to now is 238.8 secs Computing kpt #: 233 total cpu time spent up to now is 239.9 secs Computing kpt #: 234 total cpu time spent up to now is 240.9 secs Computing kpt #: 235 total cpu time spent up to now is 241.9 secs Computing kpt #: 236 total cpu time spent up to now is 243.0 secs Computing kpt #: 237 total cpu time spent up to now is 244.0 secs Computing kpt #: 238 total cpu time spent up to now is 245.1 secs Computing kpt #: 239 total cpu time spent up to now is 246.1 secs Computing kpt #: 240 total cpu time spent up to now is 247.1 secs Computing kpt #: 241 total cpu time spent up to now is 248.1 secs Computing kpt #: 242 total cpu time spent up to now is 249.1 secs Computing kpt #: 243 total cpu time spent up to now is 250.1 secs Computing kpt #: 244 total cpu time spent up to now is 251.1 secs Computing kpt #: 245 total cpu time spent up to now is 252.0 secs Computing kpt #: 246 total cpu time spent up to now is 253.0 secs Computing kpt #: 247 total cpu time spent up to now is 254.0 secs Computing kpt #: 248 total cpu time spent up to now is 255.0 secs Computing kpt #: 249 total cpu time spent up to now is 256.0 secs Computing kpt #: 250 total cpu time spent up to now is 257.1 secs Computing kpt #: 251 total cpu time spent up to now is 258.1 secs Computing kpt #: 252 total cpu time spent up to now is 259.0 secs Computing kpt #: 253 total cpu time spent up to now is 260.2 secs Computing kpt #: 254 total cpu time spent up to now is 261.5 secs Computing kpt #: 255 total cpu time spent up to now is 262.5 secs Computing kpt #: 256 total cpu time spent up to now is 263.7 secs Computing kpt #: 257 total cpu time spent up to now is 264.8 secs Computing kpt #: 258 total cpu time spent up to now is 266.1 secs Computing kpt #: 259 total cpu time spent up to now is 267.2 secs Computing kpt #: 260 total cpu time spent up to now is 268.3 secs Computing kpt #: 261 total cpu time spent up to now is 269.5 secs Computing kpt #: 262 total cpu time spent up to now is 270.8 secs Computing kpt #: 263 total cpu time spent up to now is 272.0 secs Computing kpt #: 264 total cpu time spent up to now is 273.1 secs Computing kpt #: 265 total cpu time spent up to now is 274.2 secs Computing kpt #: 266 total cpu time spent up to now is 275.3 secs Computing kpt #: 267 total cpu time spent up to now is 276.4 secs Computing kpt #: 268 total cpu time spent up to now is 277.4 secs Computing kpt #: 269 total cpu time spent up to now is 278.5 secs Computing kpt #: 270 total cpu time spent up to now is 279.5 secs Computing kpt #: 271 total cpu time spent up to now is 280.5 secs Computing kpt #: 272 total cpu time spent up to now is 281.6 secs Computing kpt #: 273 total cpu time spent up to now is 282.5 secs Computing kpt #: 274 total cpu time spent up to now is 283.6 secs Computing kpt #: 275 total cpu time spent up to now is 284.5 secs Computing kpt #: 276 total cpu time spent up to now is 285.5 secs Computing kpt #: 277 total cpu time spent up to now is 286.5 secs Computing kpt #: 278 total cpu time spent up to now is 287.6 secs Computing kpt #: 279 total cpu time spent up to now is 288.8 secs Computing kpt #: 280 total cpu time spent up to now is 290.2 secs Computing kpt #: 281 total cpu time spent up to now is 292.0 secs Computing kpt #: 282 total cpu time spent up to now is 293.3 secs Computing kpt #: 283 total cpu time spent up to now is 294.6 secs Computing kpt #: 284 total cpu time spent up to now is 295.8 secs Computing kpt #: 285 total cpu time spent up to now is 297.1 secs Computing kpt #: 286 total cpu time spent up to now is 298.3 secs Computing kpt #: 287 total cpu time spent up to now is 299.5 secs Computing kpt #: 288 total cpu time spent up to now is 300.8 secs Computing kpt #: 289 total cpu time spent up to now is 302.0 secs Computing kpt #: 290 total cpu time spent up to now is 303.2 secs Computing kpt #: 291 total cpu time spent up to now is 304.5 secs Computing kpt #: 292 total cpu time spent up to now is 305.7 secs Computing kpt #: 293 total cpu time spent up to now is 307.0 secs Computing kpt #: 294 total cpu time spent up to now is 308.2 secs Computing kpt #: 295 total cpu time spent up to now is 309.5 secs Computing kpt #: 296 total cpu time spent up to now is 310.6 secs Computing kpt #: 297 total cpu time spent up to now is 311.9 secs Computing kpt #: 298 total cpu time spent up to now is 313.1 secs Computing kpt #: 299 total cpu time spent up to now is 314.3 secs Computing kpt #: 300 total cpu time spent up to now is 315.5 secs Computing kpt #: 301 total cpu time spent up to now is 316.8 secs Computing kpt #: 302 total cpu time spent up to now is 318.1 secs Computing kpt #: 303 total cpu time spent up to now is 319.2 secs Computing kpt #: 304 total cpu time spent up to now is 320.4 secs Computing kpt #: 305 total cpu time spent up to now is 321.5 secs Computing kpt #: 306 total cpu time spent up to now is 322.6 secs Computing kpt #: 307 total cpu time spent up to now is 323.7 secs Computing kpt #: 308 total cpu time spent up to now is 324.7 secs Computing kpt #: 309 total cpu time spent up to now is 325.9 secs Computing kpt #: 310 total cpu time spent up to now is 327.0 secs Computing kpt #: 311 total cpu time spent up to now is 328.2 secs Computing kpt #: 312 total cpu time spent up to now is 329.4 secs ethr = 3.33E-08, avg # of iterations = 33.0 total cpu time spent up to now is 329.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14373 PWs) bands (ev): -16.5304 -16.5304 -16.3957 -16.3957 -9.7765 -9.7765 -5.8957 -5.8957 -5.4167 -5.4167 -5.1173 -5.1173 -4.1090 -4.1090 -3.9356 -3.9356 -3.7180 -3.7180 -3.5762 -3.5762 0.0334 0.0334 1.1411 1.1411 1.2345 1.2345 3.5270 3.5270 3.9359 3.9359 6.0887 6.0887 6.8850 6.8850 7.3044 7.3044 7.8871 7.8871 k =-0.0083 0.0091 0.0165 ( 14391 PWs) bands (ev): -16.5303 -16.5303 -16.3957 -16.3957 -9.7767 -9.7767 -5.8956 -5.8956 -5.4168 -5.4168 -5.1174 -5.1174 -4.1091 -4.1091 -3.9361 -3.9361 -3.7176 -3.7176 -3.5764 -3.5764 0.0333 0.0333 1.1417 1.1417 1.2348 1.2348 3.5269 3.5269 3.9351 3.9351 6.0918 6.0918 6.8858 6.8858 7.3063 7.3063 7.8874 7.8874 k =-0.0166 0.0183 0.0330 ( 14393 PWs) bands (ev): -16.5300 -16.5300 -16.3959 -16.3959 -9.7772 -9.7772 -5.8954 -5.8954 -5.4170 -5.4170 -5.1175 -5.1175 -4.1091 -4.1091 -3.9377 -3.9377 -3.7165 -3.7165 -3.5772 -3.5772 0.0330 0.0330 1.1438 1.1438 1.2356 1.2356 3.5267 3.5267 3.9327 3.9327 6.1012 6.1012 6.8882 6.8882 7.3119 7.3119 7.8882 7.8882 k =-0.0249 0.0274 0.0495 ( 14385 PWs) bands (ev): -16.5296 -16.5296 -16.3961 -16.3961 -9.7780 -9.7780 -5.8952 -5.8952 -5.4172 -5.4172 -5.1178 -5.1178 -4.1092 -4.1092 -3.9403 -3.9403 -3.7148 -3.7148 -3.5785 -3.5785 0.0324 0.0324 1.1470 1.1470 1.2370 1.2370 3.5263 3.5263 3.9288 3.9288 6.1166 6.1166 6.8920 6.8920 7.3211 7.3211 7.8896 7.8896 k =-0.0332 0.0366 0.0661 ( 14375 PWs) bands (ev): -16.5289 -16.5289 -16.3964 -16.3964 -9.7791 -9.7791 -5.8948 -5.8948 -5.4176 -5.4176 -5.1181 -5.1181 -4.1093 -4.1093 -3.9438 -3.9438 -3.7124 -3.7124 -3.5803 -3.5803 0.0316 0.0316 1.1514 1.1514 1.2390 1.2390 3.5257 3.5257 3.9233 3.9233 6.1380 6.1380 6.8973 6.8973 7.3340 7.3340 7.8918 7.8918 k =-0.0415 0.0457 0.0826 ( 14368 PWs) bands (ev): -16.5281 -16.5281 -16.3968 -16.3968 -9.7806 -9.7806 -5.8943 -5.8943 -5.4180 -5.4180 -5.1185 -5.1185 -4.1093 -4.1093 -3.9483 -3.9483 -3.7095 -3.7095 -3.5826 -3.5826 0.0307 0.0307 1.1568 1.1568 1.2419 1.2419 3.5250 3.5250 3.9163 3.9163 6.1650 6.1650 6.9040 6.9040 7.3507 7.3507 7.8949 7.8949 k =-0.0498 0.0549 0.0991 ( 14368 PWs) bands (ev): -16.5271 -16.5271 -16.3972 -16.3972 -9.7823 -9.7823 -5.8938 -5.8938 -5.4185 -5.4185 -5.1191 -5.1191 -4.1092 -4.1092 -3.9535 -3.9535 -3.7060 -3.7060 -3.5855 -3.5855 0.0296 0.0296 1.1630 1.1630 1.2456 1.2456 3.5242 3.5242 3.9078 3.9078 6.1972 6.1972 6.9119 6.9119 7.3709 7.3709 7.8990 7.8990 k =-0.0582 0.0640 0.1156 ( 14358 PWs) bands (ev): -16.5259 -16.5259 -16.3978 -16.3978 -9.7843 -9.7843 -5.8933 -5.8933 -5.4191 -5.4191 -5.1197 -5.1197 -4.1089 -4.1089 -3.9595 -3.9595 -3.7023 -3.7023 -3.5889 -3.5889 0.0284 0.0284 1.1698 1.1698 1.2504 1.2504 3.5233 3.5233 3.8980 3.8980 6.2342 6.2342 6.9208 6.9208 7.3949 7.3949 7.9044 7.9044 k =-0.0665 0.0732 0.1321 ( 14378 PWs) bands (ev): -16.5246 -16.5246 -16.3984 -16.3984 -9.7866 -9.7866 -5.8927 -5.8927 -5.4197 -5.4197 -5.1203 -5.1203 -4.1083 -4.1083 -3.9660 -3.9660 -3.6982 -3.6982 -3.5928 -3.5928 0.0272 0.0272 1.1770 1.1770 1.2563 1.2563 3.5222 3.5222 3.8868 3.8868 6.2754 6.2754 6.9306 6.9306 7.4224 7.4224 7.9113 7.9113 k =-0.0748 0.0823 0.1486 ( 14370 PWs) bands (ev): -16.5231 -16.5231 -16.3991 -16.3991 -9.7892 -9.7892 -5.8922 -5.8922 -5.4202 -5.4202 -5.1211 -5.1211 -4.1074 -4.1074 -3.9730 -3.9730 -3.6939 -3.6939 -3.5972 -3.5972 0.0259 0.0259 1.1843 1.1843 1.2636 1.2636 3.5211 3.5211 3.8744 3.8744 6.3203 6.3203 6.9411 6.9411 7.4535 7.4535 7.9198 7.9198 k =-0.0831 0.0915 0.1651 ( 14368 PWs) bands (ev): -16.5214 -16.5214 -16.3999 -16.3999 -9.7919 -9.7919 -5.8918 -5.8918 -5.4207 -5.4207 -5.1219 -5.1219 -4.1062 -4.1062 -3.9804 -3.9804 -3.6896 -3.6896 -3.6022 -3.6022 0.0246 0.0246 1.1916 1.1916 1.2721 1.2721 3.5199 3.5199 3.8608 3.8608 6.3679 6.3679 6.9522 6.9522 7.4881 7.4881 7.9301 7.9301 k =-0.0914 0.1006 0.1817 ( 14364 PWs) bands (ev): -16.5196 -16.5196 -16.4008 -16.4008 -9.7949 -9.7949 -5.8914 -5.8914 -5.4212 -5.4212 -5.1227 -5.1227 -4.1046 -4.1046 -3.9878 -3.9878 -3.6852 -3.6852 -3.6076 -3.6076 0.0234 0.0234 1.1989 1.1989 1.2819 1.2819 3.5187 3.5187 3.8462 3.8462 6.4176 6.4176 6.9636 6.9636 7.5262 7.5262 7.9421 7.9421 k =-0.0997 0.1098 0.1982 ( 14350 PWs) bands (ev): -16.5177 -16.5177 -16.4018 -16.4018 -9.7981 -9.7981 -5.8912 -5.8912 -5.4216 -5.4216 -5.1236 -5.1236 -4.1026 -4.1026 -3.9953 -3.9953 -3.6809 -3.6809 -3.6136 -3.6136 0.0223 0.0223 1.2061 1.2061 1.2927 1.2927 3.5174 3.5174 3.8306 3.8306 6.4683 6.4683 6.9751 6.9751 7.5677 7.5677 7.9560 7.9560 k =-0.1080 0.1189 0.2147 ( 14350 PWs) bands (ev): -16.5156 -16.5156 -16.4029 -16.4029 -9.8014 -9.8014 -5.8912 -5.8912 -5.4218 -5.4218 -5.1244 -5.1244 -4.1003 -4.1003 -4.0025 -4.0025 -3.6767 -3.6767 -3.6199 -3.6199 0.0213 0.0213 1.2132 1.2132 1.3044 1.3044 3.5161 3.5161 3.8142 3.8142 6.5189 6.5189 6.9866 6.9866 7.6124 7.6124 7.9716 7.9716 k =-0.1163 0.1281 0.2312 ( 14334 PWs) bands (ev): -16.5135 -16.5135 -16.4040 -16.4040 -9.8049 -9.8049 -5.8915 -5.8915 -5.4218 -5.4218 -5.1253 -5.1253 -4.0977 -4.0977 -4.0093 -4.0093 -3.6729 -3.6729 -3.6266 -3.6266 0.0205 0.0205 1.2205 1.2205 1.3167 1.3167 3.5149 3.5149 3.7970 3.7970 6.5682 6.5682 6.9978 6.9978 7.6602 7.6602 7.9887 7.9887 k =-0.1246 0.1372 0.2477 ( 14332 PWs) bands (ev): -16.5112 -16.5112 -16.4053 -16.4053 -9.8085 -9.8085 -5.8921 -5.8921 -5.4217 -5.4217 -5.1262 -5.1262 -4.0951 -4.0951 -4.0152 -4.0152 -3.6695 -3.6695 -3.6335 -3.6335 0.0199 0.0199 1.2278 1.2278 1.3293 1.3293 3.5136 3.5136 3.7792 3.7792 6.6150 6.6150 7.0087 7.0087 7.7110 7.7110 8.0070 8.0070 k =-0.1329 0.1464 0.2642 ( 14338 PWs) bands (ev): -16.5088 -16.5088 -16.4066 -16.4066 -9.8122 -9.8122 -5.8930 -5.8930 -5.4213 -5.4213 -5.1270 -5.1270 -4.0926 -4.0926 -4.0199 -4.0199 -3.6669 -3.6669 -3.6401 -3.6401 0.0195 0.0195 1.2353 1.2353 1.3420 1.3420 3.5125 3.5125 3.7609 3.7609 6.6581 6.6581 7.0190 7.0190 7.7644 7.7644 8.0260 8.0260 k =-0.1412 0.1555 0.2807 ( 14350 PWs) bands (ev): -16.5064 -16.5064 -16.4080 -16.4080 -9.8159 -9.8159 -5.8943 -5.8943 -5.4207 -5.4207 -5.1278 -5.1278 -4.0907 -4.0907 -4.0230 -4.0230 -3.6663 -3.6663 -3.6454 -3.6454 0.0194 0.0194 1.2431 1.2431 1.3545 1.3545 3.5114 3.5114 3.7422 3.7422 6.6962 6.6962 7.0287 7.0287 7.8200 7.8200 8.0449 8.0449 k =-0.1495 0.1647 0.2973 ( 14354 PWs) bands (ev): -16.5039 -16.5039 -16.4095 -16.4095 -9.8197 -9.8197 -5.8961 -5.8961 -5.4198 -5.4198 -5.1285 -5.1285 -4.0898 -4.0898 -4.0238 -4.0238 -3.6691 -3.6691 -3.6478 -3.6478 0.0195 0.0195 1.2511 1.2511 1.3666 1.3666 3.5105 3.5105 3.7232 3.7232 6.7283 6.7283 7.0376 7.0376 7.8775 7.8775 8.0629 8.0629 k =-0.1579 0.1738 0.3138 ( 14340 PWs) bands (ev): -16.5013 -16.5013 -16.4110 -16.4110 -9.8235 -9.8235 -5.8984 -5.8984 -5.4186 -5.4186 -5.1292 -5.1292 -4.0900 -4.0900 -4.0222 -4.0222 -3.6753 -3.6753 -3.6474 -3.6474 0.0199 0.0199 1.2593 1.2593 1.3782 1.3782 3.5096 3.5096 3.7041 3.7041 6.7536 6.7536 7.0457 7.0457 7.9361 7.9361 8.0790 8.0790 k =-0.1662 0.1830 0.3303 ( 14328 PWs) bands (ev): -16.4987 -16.4987 -16.4127 -16.4127 -9.8272 -9.8272 -5.9012 -5.9012 -5.4170 -5.4170 -5.1297 -5.1297 -4.0912 -4.0912 -4.0180 -4.0180 -3.6834 -3.6834 -3.6456 -3.6456 0.0205 0.0205 1.2677 1.2677 1.3890 1.3890 3.5090 3.5090 3.6850 3.6850 6.7717 6.7717 7.0529 7.0529 7.9952 7.9952 8.0919 8.0919 k =-0.1745 0.1921 0.3468 ( 14324 PWs) bands (ev): -16.4960 -16.4960 -16.4144 -16.4144 -9.8309 -9.8309 -5.9045 -5.9045 -5.4151 -5.4151 -5.1301 -5.1301 -4.0931 -4.0931 -4.0117 -4.0117 -3.6923 -3.6923 -3.6434 -3.6434 0.0213 0.0213 1.2763 1.2763 1.3988 1.3988 3.5085 3.5085 3.6660 3.6660 6.7825 6.7825 7.0591 7.0591 8.0533 8.0533 8.1010 8.1010 k =-0.1828 0.2012 0.3633 ( 14320 PWs) bands (ev): -16.4933 -16.4933 -16.4162 -16.4162 -9.8345 -9.8345 -5.9085 -5.9085 -5.4127 -5.4127 -5.1303 -5.1303 -4.0954 -4.0954 -4.0036 -4.0036 -3.7016 -3.7016 -3.6411 -3.6411 0.0224 0.0224 1.2850 1.2850 1.4076 1.4076 3.5081 3.5081 3.6473 3.6473 6.7863 6.7863 7.0645 7.0645 8.0957 8.0957 8.1188 8.1188 k =-0.1911 0.2104 0.3798 ( 14316 PWs) bands (ev): -16.4906 -16.4906 -16.4181 -16.4181 -9.8380 -9.8380 -5.9131 -5.9131 -5.4100 -5.4100 -5.1304 -5.1304 -4.0975 -4.0975 -3.9940 -3.9940 -3.7111 -3.7111 -3.6389 -3.6389 0.0236 0.0236 1.2938 1.2938 1.4151 1.4151 3.5080 3.5080 3.6290 3.6290 6.7839 6.7839 7.0688 7.0688 8.0947 8.0947 8.1712 8.1712 k =-0.1994 0.2195 0.3963 ( 14310 PWs) bands (ev): -16.4879 -16.4879 -16.4200 -16.4200 -9.8414 -9.8414 -5.9184 -5.9184 -5.4069 -5.4069 -5.1304 -5.1304 -4.0993 -4.0993 -3.9831 -3.9831 -3.7207 -3.7207 -3.6369 -3.6369 0.0251 0.0251 1.3025 1.3025 1.4213 1.4213 3.5079 3.5079 3.6112 3.6112 6.7760 6.7760 7.0723 7.0723 8.0823 8.0823 8.2244 8.2244 k =-0.2077 0.2287 0.4129 ( 14322 PWs) bands (ev): -16.4852 -16.4852 -16.4220 -16.4220 -9.8447 -9.8447 -5.9243 -5.9243 -5.4033 -5.4033 -5.1301 -5.1301 -4.1005 -4.1005 -3.9711 -3.9711 -3.7304 -3.7304 -3.6349 -3.6349 0.0266 0.0266 1.3111 1.3111 1.4261 1.4261 3.5079 3.5079 3.5943 3.5943 6.7636 6.7636 7.0750 7.0750 8.0614 8.0614 8.2743 8.2743 k =-0.2160 0.2378 0.4294 ( 14324 PWs) bands (ev): -16.4826 -16.4826 -16.4241 -16.4241 -9.8478 -9.8478 -5.9309 -5.9309 -5.3993 -5.3993 -5.1297 -5.1297 -4.1011 -4.1011 -3.9583 -3.9583 -3.7399 -3.7399 -3.6331 -3.6331 0.0283 0.0283 1.3195 1.3195 1.4295 1.4295 3.5078 3.5078 3.5785 3.5785 6.7478 6.7478 7.0768 7.0768 8.0326 8.0326 8.3199 8.3199 k =-0.2243 0.2470 0.4459 ( 14328 PWs) bands (ev): -16.4799 -16.4799 -16.4262 -16.4262 -9.8507 -9.8507 -5.9382 -5.9382 -5.3949 -5.3949 -5.1292 -5.1292 -4.1009 -4.1009 -3.9447 -3.9447 -3.7492 -3.7492 -3.6315 -3.6315 0.0301 0.0301 1.3276 1.3276 1.4313 1.4313 3.5070 3.5070 3.5644 3.5644 6.7295 6.7295 7.0779 7.0779 7.9967 7.9967 8.3602 8.3602 k =-0.2326 0.2561 0.4624 ( 14324 PWs) bands (ev): -16.4773 -16.4773 -16.4284 -16.4284 -9.8534 -9.8534 -5.9461 -5.9461 -5.3901 -5.3901 -5.1284 -5.1284 -4.0998 -4.0998 -3.9304 -3.9304 -3.7583 -3.7583 -3.6300 -3.6300 0.0320 0.0320 1.3352 1.3352 1.4315 1.4315 3.5049 3.5049 3.5528 3.5528 6.7097 6.7097 7.0782 7.0782 7.9549 7.9549 8.3944 8.3944 k =-0.2409 0.2653 0.4789 ( 14320 PWs) bands (ev): -16.4747 -16.4747 -16.4306 -16.4306 -9.8558 -9.8558 -5.9546 -5.9546 -5.3848 -5.3848 -5.1276 -5.1276 -4.0979 -4.0979 -3.9156 -3.9156 -3.7670 -3.7670 -3.6287 -3.6287 0.0339 0.0339 1.3423 1.3423 1.4302 1.4302 3.5004 3.5004 3.5450 3.5450 6.6892 6.6892 7.0779 7.0779 7.9086 7.9086 8.4218 8.4218 k =-0.2492 0.2744 0.4954 ( 14332 PWs) bands (ev): -16.4722 -16.4722 -16.4329 -16.4329 -9.8581 -9.8581 -5.9637 -5.9637 -5.3791 -5.3791 -5.1266 -5.1266 -4.0951 -4.0951 -3.9003 -3.9003 -3.7752 -3.7752 -3.6275 -3.6275 0.0357 0.0357 1.3486 1.3486 1.4275 1.4275 3.4931 3.4931 3.5414 3.5414 6.6686 6.6686 7.0769 7.0769 7.8592 7.8592 8.4418 8.4418 k =-0.2576 0.2836 0.5119 ( 14342 PWs) bands (ev): -16.4698 -16.4698 -16.4352 -16.4352 -9.8602 -9.8602 -5.9733 -5.9733 -5.3730 -5.3730 -5.1255 -5.1255 -4.0914 -4.0914 -3.8846 -3.8846 -3.7830 -3.7830 -3.6264 -3.6264 0.0376 0.0376 1.3539 1.3539 1.4236 1.4236 3.4837 3.4837 3.5413 3.5413 6.6485 6.6485 7.0754 7.0754 7.8080 7.8080 8.4543 8.4543 k =-0.2659 0.2927 0.5285 ( 14342 PWs) bands (ev): -16.4674 -16.4674 -16.4375 -16.4375 -9.8620 -9.8620 -5.9835 -5.9835 -5.3665 -5.3665 -5.1242 -5.1242 -4.0869 -4.0869 -3.8688 -3.8688 -3.7900 -3.7900 -3.6255 -3.6255 0.0394 0.0394 1.3576 1.3576 1.4189 1.4189 3.4737 3.4737 3.5434 3.5434 6.6293 6.6293 7.0732 7.0732 7.7562 7.7562 8.4591 8.4591 k =-0.2742 0.3019 0.5450 ( 14338 PWs) bands (ev): -16.4651 -16.4651 -16.4398 -16.4398 -9.8635 -9.8635 -5.9941 -5.9941 -5.3597 -5.3597 -5.1229 -5.1229 -4.0815 -4.0815 -3.8531 -3.8531 -3.7960 -3.7960 -3.6248 -3.6248 0.0412 0.0412 1.3590 1.3590 1.4142 1.4142 3.4637 3.4637 3.5470 3.5470 6.6115 6.6115 7.0706 7.0706 7.7047 7.7047 8.4566 8.4566 k =-0.2825 0.3110 0.5615 ( 14348 PWs) bands (ev): -16.4628 -16.4628 -16.4422 -16.4422 -9.8648 -9.8648 -6.0050 -6.0050 -5.3524 -5.3524 -5.1215 -5.1215 -4.0754 -4.0754 -3.8385 -3.8385 -3.8002 -3.8002 -3.6241 -3.6241 0.0428 0.0428 1.3571 1.3571 1.4104 1.4104 3.4543 3.4543 3.5518 3.5518 6.5952 6.5952 7.0674 7.0674 7.6546 7.6546 8.4473 8.4473 k =-0.2908 0.3202 0.5780 ( 14354 PWs) bands (ev): -16.4607 -16.4607 -16.4446 -16.4446 -9.8659 -9.8659 -6.0163 -6.0163 -5.3449 -5.3449 -5.1201 -5.1201 -4.0686 -4.0686 -3.8277 -3.8277 -3.7997 -3.7997 -3.6236 -3.6236 0.0444 0.0444 1.3510 1.3510 1.4084 1.4084 3.4456 3.4456 3.5574 3.5574 6.5806 6.5806 7.0638 7.0638 7.6067 7.6067 8.4317 8.4317 k =-0.2991 0.3293 0.5945 ( 14362 PWs) bands (ev): -16.4586 -16.4586 -16.4469 -16.4469 -9.8668 -9.8668 -6.0279 -6.0279 -5.3370 -5.3370 -5.1187 -5.1187 -4.0612 -4.0612 -3.8245 -3.8245 -3.7908 -3.7908 -3.6232 -3.6232 0.0459 0.0459 1.3409 1.3409 1.4081 1.4081 3.4378 3.4378 3.5639 3.5639 6.5677 6.5677 7.0597 7.0597 7.5614 7.5614 8.4107 8.4107 k =-0.3074 0.3385 0.6110 ( 14354 PWs) bands (ev): -16.4566 -16.4566 -16.4493 -16.4493 -9.8674 -9.8674 -6.0396 -6.0396 -5.3289 -5.3289 -5.1173 -5.1173 -4.0533 -4.0533 -3.8261 -3.8261 -3.7765 -3.7765 -3.6229 -3.6229 0.0473 0.0473 1.3274 1.3274 1.4091 1.4091 3.4309 3.4309 3.5711 3.5711 6.5566 6.5566 7.0553 7.0553 7.5194 7.5194 8.3852 8.3852 k =-0.3157 0.3476 0.6275 ( 14348 PWs) bands (ev): -16.4548 -16.4548 -16.4516 -16.4516 -9.8678 -9.8678 -6.0515 -6.0515 -5.3205 -5.3205 -5.1159 -5.1159 -4.0450 -4.0450 -3.8287 -3.8287 -3.7604 -3.7604 -3.6228 -3.6228 0.0485 0.0485 1.3112 1.3112 1.4106 1.4106 3.4250 3.4250 3.5790 3.5790 6.5471 6.5471 7.0505 7.0505 7.4811 7.4811 8.3558 8.3558 k =-0.3240 0.3568 0.6441 ( 14338 PWs) bands (ev): -16.4540 -16.4540 -16.4530 -16.4530 -9.8680 -9.8680 -6.0634 -6.0634 -5.3119 -5.3119 -5.1146 -5.1146 -4.0364 -4.0364 -3.8312 -3.8312 -3.7438 -3.7438 -3.6227 -3.6227 0.0496 0.0496 1.2928 1.2928 1.4123 1.4123 3.4201 3.4201 3.5874 3.5874 6.5390 6.5390 7.0454 7.0454 7.4468 7.4468 8.3235 8.3235 k =-0.3240 0.3568 0.6441 ( 14338 PWs) bands (ev): -16.4540 -16.4540 -16.4530 -16.4530 -9.8680 -9.8680 -6.0634 -6.0634 -5.3119 -5.3119 -5.1146 -5.1146 -4.0364 -4.0364 -3.8312 -3.8312 -3.7438 -3.7438 -3.6227 -3.6227 0.0496 0.0496 1.2928 1.2928 1.4123 1.4123 3.4201 3.4201 3.5874 3.5874 6.5390 6.5390 7.0454 7.0454 7.4468 7.4468 8.3235 8.3235 k =-0.3133 0.3450 0.6560 ( 14345 PWs) bands (ev): -16.4539 -16.4539 -16.4530 -16.4530 -9.8680 -9.8680 -6.0635 -6.0635 -5.3119 -5.3119 -5.1148 -5.1148 -4.0367 -4.0367 -3.8318 -3.8318 -3.7428 -3.7428 -3.6225 -3.6225 0.0501 0.0501 1.2929 1.2929 1.4121 1.4121 3.4200 3.4200 3.5868 3.5868 6.5410 6.5410 7.0385 7.0385 7.4485 7.4485 8.3301 8.3301 k =-0.3026 0.3332 0.6679 ( 14338 PWs) bands (ev): -16.4538 -16.4538 -16.4532 -16.4532 -9.8678 -9.8678 -6.0636 -6.0636 -5.3118 -5.3118 -5.1153 -5.1153 -4.0379 -4.0379 -3.8335 -3.8335 -3.7401 -3.7401 -3.6219 -3.6219 0.0515 0.0515 1.2934 1.2934 1.4114 1.4114 3.4198 3.4198 3.5851 3.5851 6.5469 6.5469 7.0182 7.0182 7.4536 7.4536 8.3493 8.3493 k =-0.2919 0.3214 0.6798 ( 14332 PWs) bands (ev): -16.4536 -16.4536 -16.4534 -16.4534 -9.8676 -9.8676 -6.0637 -6.0637 -5.3118 -5.3118 -5.1162 -5.1162 -4.0397 -4.0397 -3.8362 -3.8362 -3.7358 -3.7358 -3.6209 -3.6209 0.0537 0.0537 1.2940 1.2940 1.4103 1.4103 3.4194 3.4194 3.5821 3.5821 6.5564 6.5564 6.9866 6.9866 7.4621 7.4621 8.3792 8.3792 k =-0.2812 0.3096 0.6917 ( 14332 PWs) bands (ev): -16.4537 -16.4537 -16.4532 -16.4532 -9.8673 -9.8673 -6.0639 -6.0639 -5.3117 -5.3117 -5.1174 -5.1174 -4.0421 -4.0421 -3.8394 -3.8394 -3.7305 -3.7305 -3.6195 -3.6195 0.0568 0.0568 1.2950 1.2950 1.4088 1.4088 3.4189 3.4189 3.5782 3.5782 6.5689 6.5689 6.9464 6.9464 7.4739 7.4739 8.4170 8.4170 k =-0.2705 0.2978 0.7037 ( 14338 PWs) bands (ev): -16.4541 -16.4541 -16.4528 -16.4528 -9.8669 -9.8669 -6.0642 -6.0642 -5.3115 -5.3115 -5.1191 -5.1191 -4.0451 -4.0451 -3.8430 -3.8430 -3.7244 -3.7244 -3.6177 -3.6177 0.0608 0.0608 1.2962 1.2962 1.4069 1.4069 3.4183 3.4183 3.5732 3.5732 6.5831 6.5831 6.9012 6.9012 7.4890 7.4890 8.4595 8.4595 k =-0.2598 0.2860 0.7156 ( 14342 PWs) bands (ev): -16.4547 -16.4547 -16.4524 -16.4524 -9.8664 -9.8664 -6.0644 -6.0644 -5.3114 -5.3114 -5.1211 -5.1211 -4.0484 -4.0484 -3.8468 -3.8468 -3.7180 -3.7180 -3.6155 -3.6155 0.0654 0.0654 1.2976 1.2976 1.4045 1.4045 3.4177 3.4177 3.5673 3.5673 6.5966 6.5966 6.8556 6.8556 7.5073 7.5073 8.5026 8.5026 k =-0.2491 0.2742 0.7275 ( 14349 PWs) bands (ev): -16.4553 -16.4553 -16.4518 -16.4518 -9.8659 -9.8659 -6.0647 -6.0647 -5.3111 -5.3111 -5.1234 -5.1234 -4.0519 -4.0519 -3.8505 -3.8505 -3.7116 -3.7116 -3.6129 -3.6129 0.0708 0.0708 1.2993 1.2993 1.4018 1.4018 3.4170 3.4170 3.5607 3.5607 6.6035 6.6035 6.8172 6.8172 7.5288 7.5288 8.5403 8.5403 k =-0.2384 0.2624 0.7394 ( 14343 PWs) bands (ev): -16.4559 -16.4559 -16.4512 -16.4512 -9.8652 -9.8652 -6.0649 -6.0649 -5.3109 -5.3109 -5.1262 -5.1262 -4.0556 -4.0556 -3.8542 -3.8542 -3.7053 -3.7053 -3.6101 -3.6101 0.0767 0.0767 1.3012 1.3012 1.3986 1.3986 3.4165 3.4165 3.5534 3.5534 6.5943 6.5943 6.7971 6.7971 7.5533 7.5533 8.5620 8.5620 k =-0.2276 0.2506 0.7513 ( 14341 PWs) bands (ev): -16.4567 -16.4567 -16.4504 -16.4504 -9.8645 -9.8645 -6.0650 -6.0650 -5.3105 -5.3105 -5.1294 -5.1294 -4.0593 -4.0593 -3.8577 -3.8577 -3.6994 -3.6994 -3.6069 -3.6069 0.0832 0.0832 1.3033 1.3033 1.3951 1.3951 3.4161 3.4161 3.5457 3.5457 6.5638 6.5638 6.8018 6.8018 7.5808 7.5808 8.5521 8.5521 k =-0.2169 0.2389 0.7632 ( 14330 PWs) bands (ev): -16.4575 -16.4575 -16.4497 -16.4497 -9.8637 -9.8637 -6.0649 -6.0649 -5.3101 -5.3101 -5.1329 -5.1329 -4.0628 -4.0628 -3.8610 -3.8610 -3.6941 -3.6941 -3.6035 -3.6035 0.0900 0.0900 1.3056 1.3056 1.3913 1.3913 3.4160 3.4160 3.5376 3.5376 6.5186 6.5186 6.8257 6.8257 7.6111 7.6111 8.5061 8.5061 k =-0.2062 0.2271 0.7752 ( 14332 PWs) bands (ev): -16.4585 -16.4585 -16.4488 -16.4488 -9.8629 -9.8629 -6.0648 -6.0648 -5.3096 -5.3096 -5.1368 -5.1368 -4.0663 -4.0663 -3.8641 -3.8641 -3.6894 -3.6894 -3.5999 -3.5999 0.0971 0.0971 1.3081 1.3081 1.3872 1.3872 3.4161 3.4161 3.5293 3.5293 6.4669 6.4669 6.8612 6.8612 7.6443 7.6443 8.4379 8.4379 k =-0.2062 0.2271 0.7752 ( 14332 PWs) bands (ev): -16.4585 -16.4585 -16.4488 -16.4488 -9.8629 -9.8629 -6.0648 -6.0648 -5.3096 -5.3096 -5.1368 -5.1368 -4.0663 -4.0663 -3.8641 -3.8641 -3.6894 -3.6894 -3.5999 -3.5999 0.0971 0.0971 1.3081 1.3081 1.3872 1.3872 3.4161 3.4161 3.5293 3.5293 6.4669 6.4669 6.8612 6.8612 7.6443 7.6443 8.4379 8.4379 k =-0.1925 0.2119 0.7752 ( 14333 PWs) bands (ev): -16.4599 -16.4599 -16.4470 -16.4470 -9.8624 -9.8624 -6.0592 -6.0592 -5.3128 -5.3128 -5.1422 -5.1422 -4.0751 -4.0751 -3.8660 -3.8660 -3.6914 -3.6914 -3.5956 -3.5956 0.1030 0.1030 1.3190 1.3190 1.3836 1.3836 3.4162 3.4162 3.5176 3.5176 6.4295 6.4295 6.8967 6.8967 7.6888 7.6888 8.3564 8.3564 k =-0.1787 0.1968 0.7752 ( 14328 PWs) bands (ev): -16.4613 -16.4613 -16.4453 -16.4453 -9.8619 -9.8619 -6.0538 -6.0538 -5.3155 -5.3155 -5.1479 -5.1479 -4.0836 -4.0836 -3.8677 -3.8677 -3.6929 -3.6929 -3.5912 -3.5912 0.1089 0.1089 1.3283 1.3283 1.3809 1.3809 3.4162 3.4162 3.5062 3.5062 6.3924 6.3924 6.9351 6.9351 7.7349 7.7349 8.2749 8.2749 k =-0.1650 0.1816 0.7752 ( 14337 PWs) bands (ev): -16.4627 -16.4627 -16.4437 -16.4437 -9.8614 -9.8614 -6.0489 -6.0489 -5.3177 -5.3177 -5.1540 -5.1540 -4.0917 -4.0917 -3.8692 -3.8692 -3.6941 -3.6941 -3.5869 -3.5869 0.1150 0.1150 1.3352 1.3352 1.3796 1.3796 3.4159 3.4159 3.4955 3.4955 6.3563 6.3563 6.9751 6.9751 7.7821 7.7821 8.1967 8.1967 k =-0.1512 0.1665 0.7752 ( 14341 PWs) bands (ev): -16.4640 -16.4640 -16.4421 -16.4421 -9.8609 -9.8609 -6.0443 -6.0443 -5.3194 -5.3194 -5.1603 -5.1603 -4.0993 -4.0993 -3.8707 -3.8707 -3.6949 -3.6949 -3.5826 -3.5826 0.1210 0.1210 1.3391 1.3391 1.3805 1.3805 3.4154 3.4154 3.4854 3.4854 6.3219 6.3219 7.0158 7.0158 7.8299 7.8299 8.1233 8.1233 k =-0.1375 0.1514 0.7752 ( 14342 PWs) bands (ev): -16.4653 -16.4653 -16.4406 -16.4406 -9.8604 -9.8604 -6.0400 -6.0400 -5.3207 -5.3207 -5.1667 -5.1667 -4.1062 -4.1062 -3.8720 -3.8720 -3.6954 -3.6954 -3.5784 -3.5784 0.1268 0.1268 1.3399 1.3399 1.3837 1.3837 3.4144 3.4144 3.4763 3.4763 6.2896 6.2896 7.0563 7.0563 7.8777 7.8777 8.0557 8.0557 k =-0.1237 0.1362 0.7752 ( 14341 PWs) bands (ev): -16.4664 -16.4664 -16.4392 -16.4392 -9.8600 -9.8600 -6.0362 -6.0362 -5.3215 -5.3215 -5.1732 -5.1732 -4.1126 -4.1126 -3.8733 -3.8733 -3.6956 -3.6956 -3.5744 -3.5744 0.1325 0.1325 1.3384 1.3384 1.3884 1.3884 3.4131 3.4131 3.4682 3.4682 6.2597 6.2597 7.0956 7.0956 7.9244 7.9244 7.9951 7.9951 k =-0.1100 0.1211 0.7752 ( 14334 PWs) bands (ev): -16.4675 -16.4675 -16.4380 -16.4380 -9.8595 -9.8595 -6.0327 -6.0327 -5.3218 -5.3218 -5.1797 -5.1797 -4.1182 -4.1182 -3.8745 -3.8745 -3.6955 -3.6955 -3.5708 -3.5708 0.1379 0.1379 1.3357 1.3357 1.3938 1.3938 3.4114 3.4114 3.4613 3.4613 6.2325 6.2325 7.1328 7.1328 7.9374 7.9374 7.9740 7.9740 k =-0.0962 0.1060 0.7752 ( 14333 PWs) bands (ev): -16.4684 -16.4684 -16.4368 -16.4368 -9.8591 -9.8591 -6.0297 -6.0297 -5.3218 -5.3218 -5.1859 -5.1859 -4.1232 -4.1232 -3.8756 -3.8756 -3.6953 -3.6953 -3.5674 -3.5674 0.1429 0.1429 1.3325 1.3325 1.3991 1.3991 3.4092 3.4092 3.4557 3.4557 6.2080 6.2080 7.1670 7.1670 7.8921 7.8921 8.0165 8.0165 k =-0.0825 0.0908 0.7752 ( 14339 PWs) bands (ev): -16.4693 -16.4693 -16.4358 -16.4358 -9.8588 -9.8588 -6.0271 -6.0271 -5.3215 -5.3215 -5.1919 -5.1919 -4.1275 -4.1275 -3.8766 -3.8766 -3.6950 -3.6950 -3.5644 -3.5644 0.1474 0.1474 1.3292 1.3292 1.4040 1.4040 3.4068 3.4068 3.4512 3.4512 6.1866 6.1866 7.1973 7.1973 7.8530 7.8530 8.0575 8.0575 k =-0.0687 0.0757 0.7752 ( 14347 PWs) bands (ev): -16.4700 -16.4700 -16.4349 -16.4349 -9.8585 -9.8585 -6.0248 -6.0248 -5.3209 -5.3209 -5.1973 -5.1973 -4.1312 -4.1312 -3.8775 -3.8775 -3.6946 -3.6946 -3.5618 -3.5618 0.1514 0.1514 1.3261 1.3261 1.4083 1.4083 3.4042 3.4042 3.4478 3.4478 6.1683 6.1683 7.2231 7.2231 7.8213 7.8213 8.0948 8.0948 k =-0.0550 0.0605 0.7752 ( 14347 PWs) bands (ev): -16.4706 -16.4706 -16.4342 -16.4342 -9.8582 -9.8582 -6.0230 -6.0230 -5.3202 -5.3202 -5.2021 -5.2021 -4.1341 -4.1341 -3.8782 -3.8782 -3.6942 -3.6942 -3.5596 -3.5596 0.1548 0.1548 1.3233 1.3233 1.4120 1.4120 3.4017 3.4017 3.4453 3.4453 6.1531 6.1531 7.2440 7.2440 7.7968 7.7968 8.1273 8.1273 k =-0.0412 0.0454 0.7752 ( 14345 PWs) bands (ev): -16.4711 -16.4711 -16.4337 -16.4337 -9.8580 -9.8580 -6.0216 -6.0216 -5.3194 -5.3194 -5.2060 -5.2060 -4.1364 -4.1364 -3.8788 -3.8788 -3.6939 -3.6939 -3.5579 -3.5579 0.1575 0.1575 1.3211 1.3211 1.4148 1.4148 3.3995 3.3995 3.4436 3.4436 6.1413 6.1413 7.2597 7.2597 7.7791 7.7791 8.1539 8.1539 k =-0.0275 0.0303 0.7752 ( 14351 PWs) bands (ev): -16.4714 -16.4714 -16.4333 -16.4333 -9.8579 -9.8579 -6.0206 -6.0206 -5.3188 -5.3188 -5.2090 -5.2090 -4.1380 -4.1380 -3.8793 -3.8793 -3.6936 -3.6936 -3.5566 -3.5566 0.1595 0.1595 1.3194 1.3194 1.4169 1.4169 3.3978 3.3978 3.4424 3.4424 6.1328 6.1328 7.2706 7.2706 7.7673 7.7673 8.1737 8.1737 k =-0.0137 0.0151 0.7752 ( 14345 PWs) bands (ev): -16.4716 -16.4716 -16.4330 -16.4330 -9.8578 -9.8578 -6.0200 -6.0200 -5.3183 -5.3183 -5.2109 -5.2109 -4.1390 -4.1390 -3.8796 -3.8796 -3.6934 -3.6934 -3.5559 -3.5559 0.1607 0.1607 1.3183 1.3183 1.4181 1.4181 3.3967 3.3967 3.4418 3.4418 6.1276 6.1276 7.2769 7.2769 7.7607 7.7607 8.1860 8.1860 k = 0.0000 0.0000 0.7752 ( 14336 PWs) bands (ev): -16.4717 -16.4717 -16.4329 -16.4329 -9.8577 -9.8577 -6.0198 -6.0198 -5.3182 -5.3182 -5.2115 -5.2115 -4.1393 -4.1393 -3.8796 -3.8796 -3.6933 -3.6933 -3.5556 -3.5556 0.1611 0.1611 1.3180 1.3180 1.4186 1.4186 3.3963 3.3963 3.4416 3.4416 6.1259 6.1259 7.2789 7.2789 7.7585 7.7585 8.1901 8.1901 k = 0.0000 0.0000 0.7752 ( 14336 PWs) bands (ev): -16.4717 -16.4717 -16.4329 -16.4329 -9.8577 -9.8577 -6.0198 -6.0198 -5.3182 -5.3182 -5.2115 -5.2115 -4.1393 -4.1393 -3.8796 -3.8796 -3.6933 -3.6933 -3.5556 -3.5556 0.1611 0.1611 1.3180 1.3180 1.4186 1.4186 3.3963 3.3963 3.4416 3.4416 6.1259 6.1259 7.2789 7.2789 7.7585 7.7585 8.1901 8.1901 k = 0.0147 0.0134 0.7752 ( 14348 PWs) bands (ev): -16.4717 -16.4717 -16.4329 -16.4329 -9.8577 -9.8577 -6.0196 -6.0196 -5.3190 -5.3190 -5.2109 -5.2109 -4.1394 -4.1394 -3.8800 -3.8800 -3.6932 -3.6932 -3.5553 -3.5553 0.1611 0.1611 1.3179 1.3179 1.4183 1.4183 3.3966 3.3966 3.4418 3.4418 6.1268 6.1268 7.2795 7.2795 7.7596 7.7596 8.1879 8.1879 k = 0.0294 0.0267 0.7752 ( 14350 PWs) bands (ev): -16.4716 -16.4716 -16.4330 -16.4330 -9.8577 -9.8577 -6.0189 -6.0189 -5.3214 -5.3214 -5.2093 -5.2093 -4.1396 -4.1396 -3.8809 -3.8809 -3.6927 -3.6927 -3.5544 -3.5544 0.1613 0.1613 1.3177 1.3177 1.4176 1.4176 3.3974 3.3974 3.4422 3.4422 6.1293 6.1293 7.2811 7.2811 7.7629 7.7629 8.1813 8.1813 k = 0.0441 0.0401 0.7752 ( 14350 PWs) bands (ev): -16.4715 -16.4715 -16.4331 -16.4331 -9.8577 -9.8577 -6.0178 -6.0178 -5.3251 -5.3251 -5.2069 -5.2069 -4.1401 -4.1401 -3.8823 -3.8823 -3.6919 -3.6919 -3.5530 -3.5530 0.1615 0.1615 1.3174 1.3174 1.4165 1.4165 3.3988 3.3988 3.4430 3.4430 6.1334 6.1334 7.2839 7.2839 7.7684 7.7684 8.1705 8.1705 k = 0.0588 0.0534 0.7752 ( 14348 PWs) bands (ev): -16.4714 -16.4714 -16.4332 -16.4332 -9.8577 -9.8577 -6.0163 -6.0163 -5.3300 -5.3300 -5.2037 -5.2037 -4.1407 -4.1407 -3.8843 -3.8843 -3.6910 -3.6910 -3.5511 -3.5511 0.1619 0.1619 1.3169 1.3169 1.4150 1.4150 3.4006 3.4006 3.4441 3.4441 6.1389 6.1389 7.2877 7.2877 7.7759 7.7759 8.1558 8.1558 k = 0.0735 0.0668 0.7752 ( 14354 PWs) bands (ev): -16.4713 -16.4713 -16.4334 -16.4334 -9.8577 -9.8577 -6.0145 -6.0145 -5.3356 -5.3356 -5.2002 -5.2002 -4.1414 -4.1414 -3.8866 -3.8866 -3.6898 -3.6898 -3.5488 -3.5488 0.1623 0.1623 1.3164 1.3164 1.4132 1.4132 3.4029 3.4029 3.4454 3.4454 6.1458 6.1458 7.2926 7.2926 7.7855 7.7855 8.1377 8.1377 k = 0.0882 0.0801 0.7752 ( 14362 PWs) bands (ev): -16.4711 -16.4711 -16.4336 -16.4336 -9.8577 -9.8577 -6.0123 -6.0123 -5.3418 -5.3418 -5.1965 -5.1965 -4.1422 -4.1422 -3.8893 -3.8893 -3.6886 -3.6886 -3.5461 -3.5461 0.1627 0.1627 1.3157 1.3157 1.4111 1.4111 3.4055 3.4055 3.4469 3.4469 6.1538 6.1538 7.2985 7.2985 7.7970 7.7970 8.1166 8.1166 k = 0.1029 0.0935 0.7752 ( 14374 PWs) bands (ev): -16.4709 -16.4709 -16.4338 -16.4338 -9.8577 -9.8577 -6.0099 -6.0099 -5.3483 -5.3483 -5.1928 -5.1928 -4.1430 -4.1430 -3.8921 -3.8921 -3.6873 -3.6873 -3.5432 -3.5432 0.1633 0.1633 1.3150 1.3150 1.4088 1.4088 3.4083 3.4083 3.4486 3.4486 6.1627 6.1627 7.3053 7.3053 7.8103 7.8103 8.0933 8.0933 k = 0.1176 0.1069 0.7752 ( 14372 PWs) bands (ev): -16.4707 -16.4707 -16.4340 -16.4340 -9.8577 -9.8577 -6.0074 -6.0074 -5.3549 -5.3549 -5.1891 -5.1891 -4.1439 -4.1439 -3.8949 -3.8949 -3.6860 -3.6860 -3.5401 -3.5401 0.1638 0.1638 1.3143 1.3143 1.4063 1.4063 3.4114 3.4114 3.4502 3.4502 6.1722 6.1722 7.3129 7.3129 7.8252 7.8252 8.0683 8.0683 k = 0.1324 0.1202 0.7752 ( 14364 PWs) bands (ev): -16.4704 -16.4704 -16.4342 -16.4342 -9.8577 -9.8577 -6.0048 -6.0048 -5.3613 -5.3613 -5.1857 -5.1857 -4.1448 -4.1448 -3.8977 -3.8977 -3.6847 -3.6847 -3.5370 -3.5370 0.1644 0.1644 1.3136 1.3136 1.4038 1.4038 3.4145 3.4145 3.4520 3.4520 6.1820 6.1820 7.3213 7.3213 7.8414 7.8414 8.0424 8.0424 k = 0.1471 0.1336 0.7752 ( 14368 PWs) bands (ev): -16.4702 -16.4702 -16.4344 -16.4344 -9.8577 -9.8577 -6.0022 -6.0022 -5.3675 -5.3675 -5.1825 -5.1825 -4.1457 -4.1457 -3.9005 -3.9005 -3.6836 -3.6836 -3.5340 -3.5340 0.1649 0.1649 1.3129 1.3129 1.4013 1.4013 3.4175 3.4175 3.4536 3.4536 6.1917 6.1917 7.3301 7.3301 7.8585 7.8585 8.0164 8.0164 k = 0.1618 0.1469 0.7752 ( 14364 PWs) bands (ev): -16.4700 -16.4700 -16.4346 -16.4346 -9.8577 -9.8577 -5.9997 -5.9997 -5.3732 -5.3732 -5.1797 -5.1797 -4.1466 -4.1466 -3.9030 -3.9030 -3.6825 -3.6825 -3.5311 -3.5311 0.1655 0.1655 1.3122 1.3122 1.3990 1.3990 3.4205 3.4205 3.4552 3.4552 6.2011 6.2011 7.3392 7.3392 7.8760 7.8760 7.9912 7.9912 k = 0.1765 0.1603 0.7752 ( 14364 PWs) bands (ev): -16.4698 -16.4698 -16.4348 -16.4348 -9.8577 -9.8577 -5.9974 -5.9974 -5.3783 -5.3783 -5.1773 -5.1773 -4.1473 -4.1473 -3.9052 -3.9052 -3.6816 -3.6816 -3.5285 -3.5285 0.1660 0.1660 1.3116 1.3116 1.3969 1.3969 3.4232 3.4232 3.4565 3.4565 6.2097 6.2097 7.3482 7.3482 7.8931 7.8931 7.9679 7.9679 k = 0.1912 0.1736 0.7752 ( 14368 PWs) bands (ev): -16.4697 -16.4697 -16.4350 -16.4350 -9.8577 -9.8577 -5.9954 -5.9954 -5.3826 -5.3826 -5.1752 -5.1752 -4.1480 -4.1480 -3.9071 -3.9071 -3.6808 -3.6808 -3.5263 -3.5263 0.1664 0.1664 1.3111 1.3111 1.3950 1.3950 3.4255 3.4255 3.4577 3.4577 6.2173 6.2173 7.3566 7.3566 7.9084 7.9084 7.9480 7.9480 k = 0.2059 0.1870 0.7752 ( 14366 PWs) bands (ev): -16.4695 -16.4695 -16.4352 -16.4352 -9.8577 -9.8577 -5.9938 -5.9938 -5.3861 -5.3861 -5.1736 -5.1736 -4.1485 -4.1485 -3.9086 -3.9086 -3.6802 -3.6802 -3.5245 -3.5245 0.1667 0.1667 1.3107 1.3107 1.3935 1.3935 3.4274 3.4274 3.4587 3.4587 6.2236 6.2236 7.3639 7.3639 7.9161 7.9161 7.9374 7.9374 k = 0.2206 0.2003 0.7752 ( 14370 PWs) bands (ev): -16.4694 -16.4694 -16.4353 -16.4353 -9.8577 -9.8577 -5.9926 -5.9926 -5.3887 -5.3887 -5.1725 -5.1725 -4.1489 -4.1489 -3.9097 -3.9097 -3.6798 -3.6798 -3.5231 -3.5231 0.1670 0.1670 1.3104 1.3104 1.3924 1.3924 3.4289 3.4289 3.4594 3.4594 6.2283 6.2283 7.3697 7.3697 7.9095 7.9095 7.9424 7.9424 k = 0.2353 0.2137 0.7752 ( 14364 PWs) bands (ev): -16.4694 -16.4694 -16.4353 -16.4353 -9.8577 -9.8577 -5.9918 -5.9918 -5.3902 -5.3902 -5.1718 -5.1718 -4.1491 -4.1491 -3.9104 -3.9104 -3.6795 -3.6795 -3.5223 -3.5223 0.1671 0.1671 1.3102 1.3102 1.3917 1.3917 3.4297 3.4297 3.4598 3.4598 6.2312 6.2312 7.3734 7.3734 7.9023 7.9023 7.9489 7.9489 k = 0.2500 0.2271 0.7752 ( 14356 PWs) bands (ev): -16.4693 -16.4693 -16.4353 -16.4353 -9.8577 -9.8577 -5.9915 -5.9915 -5.3907 -5.3907 -5.1716 -5.1716 -4.1492 -4.1492 -3.9106 -3.9106 -3.6794 -3.6794 -3.5220 -3.5220 0.1672 0.1672 1.3101 1.3101 1.3914 1.3914 3.4300 3.4300 3.4600 3.4600 6.2321 6.2321 7.3747 7.3747 7.8997 7.8997 7.9513 7.9513 k = 0.2500 0.2271 0.7752 ( 14356 PWs) bands (ev): -16.4693 -16.4693 -16.4353 -16.4353 -9.8577 -9.8577 -5.9915 -5.9915 -5.3907 -5.3907 -5.1716 -5.1716 -4.1492 -4.1492 -3.9106 -3.9106 -3.6794 -3.6794 -3.5220 -3.5220 0.1672 0.1672 1.3101 1.3101 1.3914 1.3914 3.4300 3.4300 3.4600 3.4600 6.2321 6.2321 7.3747 7.3747 7.8997 7.8997 7.9513 7.9513 k = 0.2391 0.2390 0.7631 ( 14358 PWs) bands (ev): -16.4693 -16.4693 -16.4353 -16.4353 -9.8577 -9.8577 -5.9914 -5.9914 -5.3905 -5.3905 -5.1716 -5.1716 -4.1490 -4.1490 -3.9105 -3.9105 -3.6800 -3.6800 -3.5226 -3.5226 0.1669 0.1669 1.3098 1.3098 1.3919 1.3919 3.4263 3.4263 3.4643 3.4643 6.2350 6.2350 7.3756 7.3756 7.8465 7.8465 8.0044 8.0044 k = 0.2283 0.2510 0.7510 ( 14356 PWs) bands (ev): -16.4693 -16.4693 -16.4354 -16.4354 -9.8577 -9.8577 -5.9911 -5.9911 -5.3897 -5.3897 -5.1716 -5.1716 -4.1483 -4.1483 -3.9099 -3.9099 -3.6815 -3.6815 -3.5243 -3.5243 0.1660 0.1660 1.3089 1.3089 1.3931 1.3931 3.4185 3.4185 3.4741 3.4741 6.2435 6.2435 7.3784 7.3784 7.7741 7.7741 8.0764 8.0764 k = 0.2174 0.2630 0.7389 ( 14380 PWs) bands (ev): -16.4693 -16.4693 -16.4354 -16.4354 -9.8577 -9.8577 -5.9906 -5.9906 -5.3883 -5.3883 -5.1717 -5.1717 -4.1471 -4.1471 -3.9089 -3.9089 -3.6841 -3.6841 -3.5271 -3.5271 0.1645 0.1645 1.3074 1.3074 1.3951 1.3951 3.4099 3.4099 3.4859 3.4859 6.2575 6.2575 7.3830 7.3830 7.7006 7.7006 8.1494 8.1494 k = 0.2065 0.2749 0.7268 ( 14382 PWs) bands (ev): -16.4693 -16.4693 -16.4354 -16.4354 -9.8577 -9.8577 -5.9898 -5.9898 -5.3865 -5.3865 -5.1719 -5.1719 -4.1455 -4.1455 -3.9076 -3.9076 -3.6878 -3.6878 -3.5311 -3.5311 0.1625 0.1625 1.3055 1.3055 1.3978 1.3978 3.4014 3.4014 3.4988 3.4988 6.2771 6.2771 7.3893 7.3893 7.6275 7.6275 8.2223 8.2223 k = 0.1957 0.2869 0.7147 ( 14374 PWs) bands (ev): -16.4694 -16.4694 -16.4354 -16.4354 -9.8577 -9.8577 -5.9889 -5.9889 -5.3841 -5.3841 -5.1721 -5.1721 -4.1434 -4.1434 -3.9058 -3.9058 -3.6924 -3.6924 -3.5361 -3.5361 0.1600 0.1600 1.3032 1.3032 1.4010 1.4010 3.3934 3.3934 3.5123 3.5123 6.3019 6.3019 7.3972 7.3972 7.5553 7.5553 8.2945 8.2945 k = 0.1848 0.2989 0.7026 ( 14370 PWs) bands (ev): -16.4694 -16.4694 -16.4354 -16.4354 -9.8578 -9.8578 -5.9878 -5.9878 -5.3813 -5.3813 -5.1725 -5.1725 -4.1408 -4.1408 -3.9035 -3.9035 -3.6980 -3.6980 -3.5421 -3.5421 0.1570 0.1570 1.3007 1.3007 1.4046 1.4046 3.3860 3.3860 3.5262 3.5262 6.3318 6.3318 7.4065 7.4065 7.4844 7.4844 8.3661 8.3661 k = 0.1739 0.3108 0.6905 ( 14372 PWs) bands (ev): -16.4694 -16.4694 -16.4354 -16.4354 -9.8578 -9.8578 -5.9865 -5.9865 -5.3780 -5.3780 -5.1730 -5.1730 -4.1378 -4.1378 -3.9008 -3.9008 -3.7045 -3.7045 -3.5491 -3.5491 0.1537 0.1537 1.2981 1.2981 1.4086 1.4086 3.3794 3.3794 3.5404 3.5404 6.3666 6.3666 7.4114 7.4114 7.4209 7.4209 8.4352 8.4352 k = 0.1630 0.3228 0.6784 ( 14372 PWs) bands (ev): -16.4694 -16.4694 -16.4354 -16.4354 -9.8578 -9.8578 -5.9851 -5.9851 -5.3742 -5.3742 -5.1737 -5.1737 -4.1342 -4.1342 -3.8975 -3.8975 -3.7118 -3.7118 -3.5570 -3.5570 0.1500 0.1500 1.2953 1.2953 1.4127 1.4127 3.3734 3.3734 3.5546 3.5546 6.4059 6.4059 7.3472 7.3472 7.4297 7.4297 8.4589 8.4589 k = 0.1522 0.3348 0.6663 ( 14370 PWs) bands (ev): -16.4694 -16.4694 -16.4354 -16.4354 -9.8578 -9.8578 -5.9836 -5.9836 -5.3701 -5.3701 -5.1747 -5.1747 -4.1302 -4.1302 -3.8937 -3.8937 -3.7200 -3.7200 -3.5658 -3.5658 0.1461 0.1461 1.2925 1.2925 1.4170 1.4170 3.3681 3.3681 3.5688 3.5688 6.4493 6.4493 7.2823 7.2823 7.4423 7.4423 8.4724 8.4724 k = 0.1413 0.3467 0.6542 ( 14360 PWs) bands (ev): -16.4694 -16.4694 -16.4355 -16.4355 -9.8578 -9.8578 -5.9820 -5.9820 -5.3655 -5.3655 -5.1758 -5.1758 -4.1256 -4.1256 -3.8893 -3.8893 -3.7288 -3.7288 -3.5752 -3.5752 0.1420 0.1420 1.2897 1.2897 1.4214 1.4214 3.3635 3.3635 3.5828 3.5828 6.4963 6.4963 7.2202 7.2202 7.4556 7.4556 8.4867 8.4867 k = 0.1304 0.3587 0.6421 ( 14362 PWs) bands (ev): -16.4694 -16.4694 -16.4355 -16.4355 -9.8579 -9.8579 -5.9803 -5.9803 -5.3607 -5.3607 -5.1773 -5.1773 -4.1206 -4.1206 -3.8844 -3.8844 -3.7383 -3.7383 -3.5854 -3.5854 0.1378 0.1378 1.2870 1.2870 1.4257 1.4257 3.3595 3.3595 3.5965 3.5965 6.5466 6.5466 7.1611 7.1611 7.4693 7.4693 8.5018 8.5018 k = 0.1196 0.3707 0.6300 ( 14358 PWs) bands (ev): -16.4694 -16.4694 -16.4355 -16.4355 -9.8579 -9.8579 -5.9787 -5.9787 -5.3556 -5.3556 -5.1791 -5.1791 -4.1152 -4.1152 -3.8788 -3.8788 -3.7483 -3.7483 -3.5960 -3.5960 0.1336 0.1336 1.2844 1.2844 1.4300 1.4300 3.3561 3.3561 3.6097 3.6097 6.5993 6.5993 7.1055 7.1055 7.4832 7.4832 8.5175 8.5175 k = 0.1087 0.3826 0.6179 ( 14354 PWs) bands (ev): -16.4694 -16.4694 -16.4355 -16.4355 -9.8579 -9.8579 -5.9770 -5.9770 -5.3503 -5.3503 -5.1811 -5.1811 -4.1094 -4.1094 -3.8727 -3.8727 -3.7587 -3.7587 -3.6072 -3.6072 0.1295 0.1295 1.2820 1.2820 1.4340 1.4340 3.3533 3.3533 3.6223 3.6223 6.6539 6.6539 7.0535 7.0535 7.4969 7.4969 8.5335 8.5335 k = 0.0978 0.3946 0.6058 ( 14352 PWs) bands (ev): -16.4694 -16.4694 -16.4355 -16.4355 -9.8579 -9.8579 -5.9753 -5.9753 -5.3448 -5.3448 -5.1834 -5.1834 -4.1032 -4.1032 -3.8661 -3.8661 -3.7692 -3.7692 -3.6186 -3.6186 0.1255 0.1255 1.2797 1.2797 1.4379 1.4379 3.3510 3.3510 3.6342 3.6342 6.7094 6.7094 7.0057 7.0057 7.5101 7.5101 8.5497 8.5497 k = 0.0870 0.4066 0.5937 ( 14358 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8579 -9.8579 -5.9738 -5.9738 -5.3393 -5.3393 -5.1860 -5.1860 -4.0968 -4.0968 -3.8590 -3.8590 -3.7799 -3.7799 -3.6303 -3.6303 0.1217 0.1217 1.2776 1.2776 1.4416 1.4416 3.3491 3.3491 3.6452 3.6452 6.7647 6.7647 6.9623 6.9623 7.5225 7.5225 8.5658 8.5658 k = 0.0761 0.4185 0.5816 ( 14350 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9723 -5.9723 -5.3339 -5.3339 -5.1887 -5.1887 -4.0903 -4.0903 -3.8516 -3.8516 -3.7903 -3.7903 -3.6419 -3.6419 0.1182 0.1182 1.2757 1.2757 1.4449 1.4449 3.3476 3.3476 3.6552 3.6552 6.8184 6.8184 6.9240 6.9240 7.5340 7.5340 8.5814 8.5814 k = 0.0652 0.4305 0.5695 ( 14342 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9710 -5.9710 -5.3287 -5.3287 -5.1916 -5.1916 -4.0839 -4.0839 -3.8439 -3.8439 -3.8003 -3.8003 -3.6534 -3.6534 0.1150 0.1150 1.2740 1.2740 1.4478 1.4478 3.3464 3.3464 3.6642 3.6642 6.8639 6.8639 6.8961 6.8961 7.5442 7.5442 8.5961 8.5961 k = 0.0543 0.4425 0.5574 ( 14338 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9698 -5.9698 -5.3238 -5.3238 -5.1944 -5.1944 -4.0778 -4.0778 -3.8361 -3.8361 -3.8096 -3.8096 -3.6644 -3.6644 0.1122 0.1122 1.2726 1.2726 1.4504 1.4504 3.3456 3.3456 3.6720 3.6720 6.8549 6.8549 6.9239 6.9239 7.5530 7.5530 8.6096 8.6096 k = 0.0435 0.4544 0.5453 ( 14328 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9688 -5.9688 -5.3194 -5.3194 -5.1970 -5.1970 -4.0721 -4.0721 -3.8288 -3.8288 -3.8178 -3.8178 -3.6747 -3.6747 0.1099 0.1099 1.2714 1.2714 1.4526 1.4526 3.3449 3.3449 3.6784 3.6784 6.8320 6.8320 6.9652 6.9652 7.5603 7.5603 8.6214 8.6214 k = 0.0326 0.4664 0.5332 ( 14320 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9680 -5.9680 -5.3157 -5.3157 -5.1994 -5.1994 -4.0673 -4.0673 -3.8254 -3.8254 -3.8213 -3.8213 -3.6837 -3.6837 0.1080 0.1080 1.2705 1.2705 1.4543 1.4543 3.3444 3.3444 3.6836 3.6836 6.8134 6.8134 7.0005 7.0005 7.5659 7.5659 8.6312 8.6312 k = 0.0217 0.4784 0.5211 ( 14328 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9674 -5.9674 -5.3129 -5.3129 -5.2012 -5.2012 -4.0636 -4.0636 -3.8303 -3.8303 -3.8160 -3.8160 -3.6909 -3.6909 0.1067 0.1067 1.2698 1.2698 1.4555 1.4555 3.3441 3.3441 3.6873 3.6873 6.7998 6.7998 7.0272 7.0272 7.5698 7.5698 8.6386 8.6386 k = 0.0109 0.4903 0.5090 ( 14332 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9670 -5.9670 -5.3111 -5.3111 -5.2024 -5.2024 -4.0612 -4.0612 -3.8336 -3.8336 -3.8122 -3.8122 -3.6956 -3.6956 0.1059 0.1059 1.2694 1.2694 1.4563 1.4563 3.3440 3.3440 3.6895 3.6895 6.7916 6.7916 7.0439 7.0439 7.5722 7.5722 8.6431 8.6431 k = 0.0000 0.5023 0.4969 ( 14322 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9669 -5.9669 -5.3105 -5.3105 -5.2028 -5.2028 -4.0604 -4.0604 -3.8347 -3.8347 -3.8109 -3.8109 -3.6973 -3.6973 0.1056 0.1056 1.2693 1.2693 1.4565 1.4565 3.3439 3.3439 3.6903 3.6903 6.7889 6.7889 7.0496 7.0496 7.5729 7.5729 8.6447 8.6447 k = 0.0000 0.5023 0.4969 ( 14322 PWs) bands (ev): -16.4695 -16.4695 -16.4356 -16.4356 -9.8580 -9.8580 -5.9669 -5.9669 -5.3105 -5.3105 -5.2028 -5.2028 -4.0604 -4.0604 -3.8347 -3.8347 -3.8109 -3.8109 -3.6973 -3.6973 0.1056 0.1056 1.2693 1.2693 1.4565 1.4565 3.3439 3.3439 3.6903 3.6903 6.7889 6.7889 7.0496 7.0496 7.5729 7.5729 8.6447 8.6447 k = 0.0171 0.5100 0.4892 ( 14325 PWs) bands (ev): -16.4695 -16.4695 -16.4357 -16.4357 -9.8581 -9.8581 -5.9673 -5.9673 -5.3110 -5.3110 -5.2019 -5.2019 -4.0605 -4.0605 -3.8347 -3.8347 -3.8107 -3.8107 -3.6968 -3.6968 0.1051 0.1051 1.2698 1.2698 1.4562 1.4562 3.3444 3.3444 3.6895 3.6895 6.7867 6.7867 7.0497 7.0497 7.5733 7.5733 8.6457 8.6457 k = 0.0341 0.5176 0.4814 ( 14330 PWs) bands (ev): -16.4693 -16.4693 -16.4358 -16.4358 -9.8583 -9.8583 -5.9686 -5.9686 -5.3123 -5.3123 -5.1993 -5.1993 -4.0606 -4.0606 -3.8349 -3.8349 -3.8100 -3.8100 -3.6951 -3.6951 0.1038 0.1038 1.2714 1.2714 1.4553 1.4553 3.3459 3.3459 3.6873 3.6873 6.7804 6.7804 7.0499 7.0499 7.5744 7.5744 8.6489 8.6489 k = 0.0512 0.5253 0.4737 ( 14328 PWs) bands (ev): -16.4691 -16.4691 -16.4361 -16.4361 -9.8585 -9.8585 -5.9707 -5.9707 -5.3143 -5.3143 -5.1953 -5.1953 -4.0608 -4.0608 -3.8350 -3.8350 -3.8090 -3.8090 -3.6925 -3.6925 0.1017 0.1017 1.2739 1.2739 1.4538 1.4538 3.3483 3.3483 3.6837 3.6837 6.7704 6.7704 7.0502 7.0502 7.5758 7.5758 8.6541 8.6541 k = 0.0682 0.5330 0.4659 ( 14332 PWs) bands (ev): -16.4687 -16.4687 -16.4364 -16.4364 -9.8589 -9.8589 -5.9736 -5.9736 -5.3167 -5.3167 -5.1902 -5.1902 -4.0610 -4.0610 -3.8350 -3.8350 -3.8077 -3.8077 -3.6890 -3.6890 0.0988 0.0988 1.2774 1.2774 1.4516 1.4516 3.3516 3.3516 3.6788 3.6788 6.7571 6.7571 7.0507 7.0507 7.5772 7.5772 8.6612 8.6612 k = 0.0853 0.5406 0.4582 ( 14348 PWs) bands (ev): -16.4683 -16.4683 -16.4369 -16.4369 -9.8594 -9.8594 -5.9772 -5.9772 -5.3193 -5.3193 -5.1841 -5.1841 -4.0612 -4.0612 -3.8350 -3.8350 -3.8061 -3.8061 -3.6846 -3.6846 0.0953 0.0953 1.2816 1.2816 1.4490 1.4490 3.3558 3.3558 3.6726 3.6726 6.7411 6.7411 7.0512 7.0512 7.5779 7.5779 8.6701 8.6701 k = 0.1023 0.5483 0.4505 ( 14354 PWs) bands (ev): -16.4678 -16.4678 -16.4374 -16.4374 -9.8600 -9.8600 -5.9815 -5.9815 -5.3218 -5.3218 -5.1775 -5.1775 -4.0613 -4.0613 -3.8348 -3.8348 -3.8043 -3.8043 -3.6795 -3.6795 0.0912 0.0912 1.2865 1.2865 1.4458 1.4458 3.3608 3.3608 3.6653 3.6653 6.7233 6.7233 7.0518 7.0518 7.5776 7.5776 8.6802 8.6802 k = 0.1194 0.5559 0.4427 ( 14351 PWs) bands (ev): -16.4672 -16.4672 -16.4381 -16.4381 -9.8607 -9.8607 -5.9864 -5.9864 -5.3241 -5.3241 -5.1705 -5.1705 -4.0613 -4.0613 -3.8343 -3.8343 -3.8022 -3.8022 -3.6740 -3.6740 0.0867 0.0867 1.2918 1.2918 1.4421 1.4421 3.3665 3.3665 3.6571 3.6571 6.7042 6.7042 7.0524 7.0524 7.5759 7.5759 8.6876 8.6876 k = 0.1364 0.5636 0.4350 ( 14347 PWs) bands (ev): -16.4665 -16.4665 -16.4389 -16.4389 -9.8614 -9.8614 -5.9919 -5.9919 -5.3261 -5.3261 -5.1634 -5.1634 -4.0610 -4.0610 -3.8337 -3.8337 -3.7998 -3.7998 -3.6680 -3.6680 0.0820 0.0820 1.2974 1.2974 1.4380 1.4380 3.3729 3.3729 3.6481 3.6481 6.6846 6.6846 7.0530 7.0530 7.5724 7.5724 8.6626 8.6626 k = 0.1535 0.5713 0.4272 ( 14348 PWs) bands (ev): -16.4657 -16.4657 -16.4397 -16.4397 -9.8622 -9.8622 -5.9978 -5.9978 -5.3275 -5.3275 -5.1564 -5.1564 -4.0605 -4.0605 -3.8330 -3.8330 -3.7972 -3.7972 -3.6619 -3.6619 0.0772 0.0772 1.3029 1.3029 1.4336 1.4336 3.3796 3.3796 3.6386 3.6386 6.6649 6.6649 7.0535 7.0535 7.5672 7.5672 8.6208 8.6208 k = 0.1705 0.5789 0.4195 ( 14332 PWs) bands (ev): -16.4648 -16.4648 -16.4407 -16.4407 -9.8630 -9.8630 -6.0041 -6.0041 -5.3285 -5.3285 -5.1497 -5.1497 -4.0597 -4.0597 -3.8322 -3.8322 -3.7942 -3.7942 -3.6558 -3.6558 0.0724 0.0724 1.3082 1.3082 1.4291 1.4291 3.3867 3.3867 3.6288 3.6288 6.6458 6.6458 7.0539 7.0539 7.5601 7.5601 8.5799 8.5799 k = 0.1876 0.5866 0.4117 ( 14343 PWs) bands (ev): -16.4638 -16.4638 -16.4417 -16.4417 -9.8638 -9.8638 -6.0107 -6.0107 -5.3289 -5.3289 -5.1433 -5.1433 -4.0586 -4.0586 -3.8314 -3.8314 -3.7907 -3.7907 -3.6498 -3.6498 0.0677 0.0677 1.3128 1.3128 1.4245 1.4245 3.3938 3.3938 3.6191 3.6191 6.6275 6.6275 7.0542 7.0542 7.5514 7.5514 8.5411 8.5411 k = 0.2046 0.5942 0.4040 ( 14337 PWs) bands (ev): -16.4628 -16.4628 -16.4429 -16.4429 -9.8646 -9.8646 -6.0175 -6.0175 -5.3287 -5.3287 -5.1373 -5.1373 -4.0571 -4.0571 -3.8306 -3.8306 -3.7868 -3.7868 -3.6442 -3.6442 0.0634 0.0634 1.3164 1.3164 1.4203 1.4203 3.4008 3.4008 3.6097 3.6097 6.6104 6.6104 7.0542 7.0542 7.5412 7.5412 8.5046 8.5046 k = 0.2217 0.6019 0.3963 ( 14336 PWs) bands (ev): -16.4616 -16.4616 -16.4442 -16.4442 -9.8653 -9.8653 -6.0245 -6.0245 -5.3279 -5.3279 -5.1320 -5.1320 -4.0553 -4.0553 -3.8300 -3.8300 -3.7823 -3.7823 -3.6389 -3.6389 0.0595 0.0595 1.3186 1.3186 1.4166 1.4166 3.4073 3.4073 3.6011 3.6011 6.5948 6.5948 7.0539 7.0539 7.5297 7.5297 8.4706 8.4706 k = 0.2388 0.6096 0.3885 ( 14338 PWs) bands (ev): -16.4604 -16.4604 -16.4455 -16.4455 -9.8660 -9.8660 -6.0314 -6.0314 -5.3266 -5.3266 -5.1272 -5.1272 -4.0530 -4.0530 -3.8296 -3.8296 -3.7772 -3.7772 -3.6342 -3.6342 0.0562 0.0562 1.3191 1.3191 1.4137 1.4137 3.4130 3.4130 3.5938 3.5938 6.5808 6.5808 7.0534 7.0534 7.5173 7.5173 8.4392 8.4392 k = 0.2558 0.6172 0.3808 ( 14331 PWs) bands (ev): -16.4591 -16.4591 -16.4470 -16.4470 -9.8667 -9.8667 -6.0383 -6.0383 -5.3247 -5.3247 -5.1232 -5.1232 -4.0504 -4.0504 -3.8293 -3.8293 -3.7716 -3.7716 -3.6302 -3.6302 0.0534 0.0534 1.3176 1.3176 1.4119 1.4119 3.4175 3.4175 3.5881 3.5881 6.5686 6.5686 7.0525 7.0525 7.5041 7.5041 8.4104 8.4104 k = 0.2729 0.6249 0.3730 ( 14330 PWs) bands (ev): -16.4577 -16.4577 -16.4485 -16.4485 -9.8672 -9.8672 -6.0450 -6.0450 -5.3222 -5.3222 -5.1199 -5.1199 -4.0473 -4.0473 -3.8294 -3.8294 -3.7654 -3.7654 -3.6270 -3.6270 0.0514 0.0514 1.3140 1.3140 1.4110 1.4110 3.4205 3.4205 3.5845 3.5845 6.5583 6.5583 7.0513 7.0513 7.4904 7.4904 8.3843 8.3843 k = 0.2899 0.6326 0.3653 ( 14336 PWs) bands (ev): -16.4563 -16.4563 -16.4501 -16.4501 -9.8676 -9.8676 -6.0514 -6.0514 -5.3192 -5.3192 -5.1174 -5.1174 -4.0440 -4.0440 -3.8297 -3.8297 -3.7586 -3.7586 -3.6247 -3.6247 0.0501 0.0501 1.3085 1.3085 1.4110 1.4110 3.4219 3.4219 3.5832 3.5832 6.5499 6.5499 7.0497 7.0497 7.4762 7.4762 8.3611 8.3611 k = 0.3070 0.6402 0.3575 ( 14335 PWs) bands (ev): -16.4548 -16.4548 -16.4518 -16.4518 -9.8679 -9.8679 -6.0576 -6.0576 -5.3158 -5.3158 -5.1156 -5.1156 -4.0403 -4.0403 -3.8303 -3.8303 -3.7514 -3.7514 -3.6232 -3.6232 0.0495 0.0495 1.3013 1.3013 1.4115 1.4115 3.4217 3.4217 3.5843 3.5843 6.5435 6.5435 7.0477 7.0477 7.4617 7.4617 8.3408 8.3408 k = 0.3240 0.6479 0.3498 ( 14338 PWs) bands (ev): -16.4540 -16.4540 -16.4530 -16.4530 -9.8680 -9.8680 -6.0634 -6.0634 -5.3119 -5.3119 -5.1146 -5.1146 -4.0364 -4.0364 -3.8312 -3.8312 -3.7438 -3.7438 -3.6227 -3.6227 0.0496 0.0496 1.2928 1.2928 1.4123 1.4123 3.4201 3.4201 3.5874 3.5874 6.5390 6.5390 7.0454 7.0454 7.4468 7.4468 8.3235 8.3235 k = 0.3240 0.6479 0.3498 ( 14338 PWs) bands (ev): -16.4540 -16.4540 -16.4530 -16.4530 -9.8680 -9.8680 -6.0634 -6.0634 -5.3119 -5.3119 -5.1146 -5.1146 -4.0364 -4.0364 -3.8312 -3.8312 -3.7438 -3.7438 -3.6227 -3.6227 0.0496 0.0496 1.2928 1.2928 1.4123 1.4123 3.4201 3.4201 3.5874 3.5874 6.5390 6.5390 7.0454 7.0454 7.4468 7.4468 8.3235 8.3235 k = 0.3320 0.6391 0.3339 ( 14336 PWs) bands (ev): -16.4562 -16.4562 -16.4513 -16.4513 -9.8680 -9.8680 -6.0749 -6.0749 -5.3034 -5.3034 -5.1134 -5.1134 -4.0279 -4.0279 -3.8331 -3.8331 -3.7276 -3.7276 -3.6227 -3.6227 0.0506 0.0506 1.2735 1.2735 1.4138 1.4138 3.4163 3.4163 3.5961 3.5961 6.5325 6.5325 7.0402 7.0402 7.4179 7.4179 8.2902 8.2902 k = 0.3400 0.6303 0.3180 ( 14316 PWs) bands (ev): -16.4583 -16.4583 -16.4498 -16.4498 -9.8679 -9.8679 -6.0862 -6.0862 -5.2948 -5.2948 -5.1123 -5.1123 -4.0194 -4.0194 -3.8344 -3.8344 -3.7116 -3.7116 -3.6227 -3.6227 0.0515 0.0515 1.2527 1.2527 1.4153 1.4153 3.4134 3.4134 3.6052 3.6052 6.5268 6.5268 7.0349 7.0349 7.3931 7.3931 8.2555 8.2555 k = 0.3480 0.6215 0.3021 ( 14336 PWs) bands (ev): -16.4604 -16.4604 -16.4484 -16.4484 -9.8676 -9.8676 -6.0975 -6.0975 -5.2862 -5.2862 -5.1113 -5.1113 -4.0111 -4.0111 -3.8351 -3.8351 -3.6958 -3.6958 -3.6228 -3.6228 0.0523 0.0523 1.2309 1.2309 1.4165 1.4165 3.4113 3.4113 3.6148 3.6148 6.5218 6.5218 7.0293 7.0293 7.3726 7.3726 8.2197 8.2197 k = 0.3560 0.6126 0.2862 ( 14344 PWs) bands (ev): -16.4625 -16.4625 -16.4470 -16.4470 -9.8671 -9.8671 -6.1085 -6.1085 -5.2774 -5.2774 -5.1104 -5.1104 -4.0030 -4.0030 -3.8351 -3.8351 -3.6803 -3.6803 -3.6227 -3.6227 0.0530 0.0530 1.2081 1.2081 1.4175 1.4175 3.4100 3.4100 3.6247 3.6247 6.5171 6.5171 7.0237 7.0237 7.3564 7.3564 8.1836 8.1836 k = 0.3640 0.6038 0.2703 ( 14336 PWs) bands (ev): -16.4645 -16.4645 -16.4457 -16.4457 -9.8666 -9.8666 -6.1192 -6.1192 -5.2686 -5.2686 -5.1097 -5.1097 -3.9952 -3.9952 -3.8343 -3.8343 -3.6655 -3.6655 -3.6223 -3.6223 0.0536 0.0536 1.1847 1.1847 1.4183 1.4183 3.4094 3.4094 3.6349 3.6349 6.5125 6.5125 7.0179 7.0179 7.3445 7.3445 8.1474 8.1474 k = 0.3720 0.5950 0.2544 ( 14326 PWs) bands (ev): -16.4664 -16.4664 -16.4445 -16.4445 -9.8659 -9.8659 -6.1297 -6.1297 -5.2597 -5.2597 -5.1091 -5.1091 -3.9879 -3.9879 -3.8328 -3.8328 -3.6519 -3.6519 -3.6211 -3.6211 0.0541 0.0541 1.1607 1.1607 1.4190 1.4190 3.4095 3.4095 3.6452 3.6452 6.5077 6.5077 7.0121 7.0121 7.3369 7.3369 8.1116 8.1116 k = 0.3800 0.5862 0.2385 ( 14328 PWs) bands (ev): -16.4683 -16.4683 -16.4435 -16.4435 -9.8652 -9.8652 -6.1398 -6.1398 -5.2509 -5.2509 -5.1088 -5.1088 -3.9813 -3.9813 -3.8306 -3.8306 -3.6412 -3.6412 -3.6176 -3.6176 0.0546 0.0546 1.1366 1.1366 1.4195 1.4195 3.4102 3.4102 3.6557 3.6557 6.5024 6.5024 7.0063 7.0063 7.3334 7.3334 8.0765 8.0765 k = 0.3880 0.5774 0.2226 ( 14316 PWs) bands (ev): -16.4700 -16.4700 -16.4424 -16.4424 -9.8644 -9.8644 -6.1494 -6.1494 -5.2422 -5.2422 -5.1087 -5.1087 -3.9752 -3.9752 -3.8278 -3.8278 -3.6352 -3.6352 -3.6098 -3.6098 0.0550 0.0550 1.1124 1.1124 1.4198 1.4198 3.4115 3.4115 3.6662 3.6662 6.4965 6.4965 7.0006 7.0006 7.3340 7.3340 8.0425 8.0425 k = 0.3960 0.5686 0.2067 ( 14310 PWs) bands (ev): -16.4717 -16.4717 -16.4415 -16.4415 -9.8636 -9.8636 -6.1586 -6.1586 -5.2335 -5.2335 -5.1088 -5.1088 -3.9698 -3.9698 -3.8243 -3.8243 -3.6331 -3.6331 -3.5988 -3.5988 0.0553 0.0553 1.0885 1.0885 1.4201 1.4201 3.4132 3.4132 3.6766 3.6766 6.4898 6.4898 6.9950 6.9950 7.3382 7.3382 8.0098 8.0098 k = 0.4040 0.5598 0.1908 ( 14298 PWs) bands (ev): -16.4733 -16.4733 -16.4407 -16.4407 -9.8627 -9.8627 -6.1673 -6.1673 -5.2250 -5.2250 -5.1091 -5.1091 -3.9652 -3.9652 -3.8204 -3.8204 -3.6326 -3.6326 -3.5867 -3.5867 0.0556 0.0556 1.0651 1.0651 1.4203 1.4203 3.4152 3.4152 3.6869 3.6869 6.4824 6.4824 6.9896 6.9896 7.3460 7.3460 7.9787 7.9787 k = 0.4120 0.5510 0.1749 ( 14288 PWs) bands (ev): -16.4748 -16.4748 -16.4399 -16.4399 -9.8618 -9.8618 -6.1755 -6.1755 -5.2166 -5.2166 -5.1097 -5.1097 -3.9612 -3.9612 -3.8160 -3.8160 -3.6327 -3.6327 -3.5747 -3.5747 0.0559 0.0559 1.0424 1.0424 1.4204 1.4204 3.4176 3.4176 3.6968 3.6968 6.4742 6.4742 6.9843 6.9843 7.3568 7.3568 7.9493 7.9493 k = 0.4200 0.5422 0.1590 ( 14302 PWs) bands (ev): -16.4761 -16.4761 -16.4392 -16.4392 -9.8609 -9.8609 -6.1830 -6.1830 -5.2084 -5.2084 -5.1107 -5.1107 -3.9578 -3.9578 -3.8115 -3.8115 -3.6332 -3.6332 -3.5631 -3.5631 0.0561 0.0561 1.0208 1.0208 1.4205 1.4205 3.4201 3.4201 3.7064 3.7064 6.4655 6.4655 6.9793 6.9793 7.3703 7.3703 7.9219 7.9219 k = 0.4280 0.5334 0.1431 ( 14298 PWs) bands (ev): -16.4774 -16.4774 -16.4386 -16.4386 -9.8601 -9.8601 -6.1900 -6.1900 -5.2003 -5.2003 -5.1119 -5.1119 -3.9550 -3.9550 -3.8069 -3.8069 -3.6338 -3.6338 -3.5522 -3.5522 0.0563 0.0563 1.0003 1.0003 1.4206 1.4206 3.4227 3.4227 3.7154 3.7154 6.4563 6.4563 6.9746 6.9746 7.3860 7.3860 7.8965 7.8965 k = 0.4360 0.5246 0.1272 ( 14290 PWs) bands (ev): -16.4785 -16.4785 -16.4380 -16.4380 -9.8593 -9.8593 -6.1963 -6.1963 -5.1926 -5.1926 -5.1135 -5.1135 -3.9527 -3.9527 -3.8023 -3.8023 -3.6345 -3.6345 -3.5422 -3.5422 0.0564 0.0564 0.9813 0.9813 1.4207 1.4207 3.4253 3.4253 3.7239 3.7239 6.4469 6.4469 6.9703 6.9703 7.4032 7.4032 7.8728 7.8728 k = 0.4440 0.5158 0.1113 ( 14286 PWs) bands (ev): -16.4795 -16.4795 -16.4375 -16.4375 -9.8586 -9.8586 -6.2019 -6.2019 -5.1851 -5.1851 -5.1154 -5.1154 -3.9508 -3.9508 -3.7980 -3.7980 -3.6352 -3.6352 -3.5330 -3.5330 0.0566 0.0566 0.9639 0.9639 1.4207 1.4207 3.4278 3.4278 3.7316 3.7316 6.4377 6.4377 6.9663 6.9663 7.4213 7.4213 7.8498 7.8498 k = 0.4520 0.5070 0.0954 ( 14280 PWs) bands (ev): -16.4804 -16.4804 -16.4371 -16.4371 -9.8579 -9.8579 -6.2068 -6.2068 -5.1779 -5.1779 -5.1177 -5.1177 -3.9493 -3.9493 -3.7939 -3.7939 -3.6358 -3.6358 -3.5249 -3.5249 0.0567 0.0567 0.9484 0.9484 1.4208 1.4208 3.4302 3.4302 3.7386 3.7386 6.4289 6.4289 6.9628 6.9628 7.4396 7.4396 7.8272 7.8272 k = 0.4600 0.4982 0.0795 ( 14272 PWs) bands (ev): -16.4812 -16.4812 -16.4368 -16.4368 -9.8573 -9.8573 -6.2110 -6.2110 -5.1710 -5.1710 -5.1204 -5.1204 -3.9482 -3.9482 -3.7903 -3.7903 -3.6364 -3.6364 -3.5179 -3.5179 0.0568 0.0568 0.9350 0.9350 1.4208 1.4208 3.4324 3.4324 3.7446 3.7446 6.4208 6.4208 6.9597 6.9597 7.4572 7.4572 7.8068 7.8068 k = 0.4680 0.4894 0.0636 ( 14270 PWs) bands (ev): -16.4818 -16.4818 -16.4365 -16.4365 -9.8568 -9.8568 -6.2145 -6.2145 -5.1645 -5.1645 -5.1233 -5.1233 -3.9473 -3.9473 -3.7872 -3.7872 -3.6370 -3.6370 -3.5121 -3.5121 0.0569 0.0569 0.9238 0.9238 1.4209 1.4209 3.4342 3.4342 3.7497 3.7497 6.4138 6.4138 6.9571 6.9571 7.4732 7.4732 7.7898 7.7898 k = 0.4760 0.4805 0.0477 ( 14268 PWs) bands (ev): -16.4823 -16.4823 -16.4363 -16.4363 -9.8564 -9.8564 -6.2172 -6.2172 -5.1584 -5.1584 -5.1266 -5.1266 -3.9466 -3.9466 -3.7847 -3.7847 -3.6374 -3.6374 -3.5075 -3.5075 0.0569 0.0569 0.9149 0.9149 1.4209 1.4209 3.4357 3.4357 3.7537 3.7537 6.4080 6.4080 6.9551 6.9551 7.4868 7.4868 7.7763 7.7763 k = 0.4840 0.4717 0.0318 ( 14268 PWs) bands (ev): -16.4827 -16.4827 -16.4361 -16.4361 -9.8561 -9.8561 -6.2191 -6.2191 -5.1530 -5.1530 -5.1301 -5.1301 -3.9462 -3.9462 -3.7829 -3.7829 -3.6378 -3.6378 -3.5042 -3.5042 0.0570 0.0570 0.9085 0.9085 1.4209 1.4209 3.4368 3.4368 3.7566 3.7566 6.4038 6.4038 6.9537 6.9537 7.4972 7.4972 7.7667 7.7667 k = 0.4920 0.4629 0.0159 ( 14278 PWs) bands (ev): -16.4829 -16.4829 -16.4361 -16.4361 -9.8560 -9.8560 -6.2203 -6.2203 -5.1485 -5.1485 -5.1334 -5.1334 -3.9459 -3.9459 -3.7818 -3.7818 -3.6380 -3.6380 -3.5021 -3.5021 0.0570 0.0570 0.9046 0.9046 1.4209 1.4209 3.4375 3.4375 3.7583 3.7583 6.4012 6.4012 6.9528 6.9528 7.5037 7.5037 7.7609 7.7893 k = 0.5000 0.4541 0.0000 ( 14286 PWs) bands (ev): -16.4829 -16.4829 -16.4360 -16.4360 -9.8559 -9.8559 -6.2207 -6.2207 -5.1464 -5.1464 -5.1351 -5.1351 -3.9459 -3.9459 -3.7814 -3.7814 -3.6380 -3.6380 -3.5015 -3.5015 0.0570 0.0570 0.9033 0.9033 1.4209 1.4209 3.4377 3.4377 3.7589 3.7589 6.4003 6.4003 6.9525 6.9525 7.5060 7.5060 7.7590 7.7590 k = 0.5000 0.4541 0.0000 ( 14286 PWs) bands (ev): -16.4829 -16.4829 -16.4360 -16.4360 -9.8559 -9.8559 -6.2207 -6.2207 -5.1464 -5.1464 -5.1351 -5.1351 -3.9459 -3.9459 -3.7814 -3.7814 -3.6380 -3.6380 -3.5015 -3.5015 0.0570 0.0570 0.9033 0.9033 1.4209 1.4209 3.4377 3.4377 3.7589 3.7589 6.4003 6.4003 6.9525 6.9525 7.5060 7.5060 7.7590 7.7879 k = 0.4848 0.4404 0.0000 ( 14268 PWs) bands (ev): -16.4831 -16.4831 -16.4359 -16.4359 -9.8557 -9.8557 -6.2201 -6.2201 -5.1468 -5.1468 -5.1350 -5.1350 -3.9461 -3.9461 -3.7814 -3.7814 -3.6388 -3.6388 -3.5016 -3.5016 0.0570 0.0570 0.9040 0.9040 1.4204 1.4204 3.4387 3.4387 3.7583 3.7583 6.4018 6.4018 6.9530 6.9530 7.5013 7.5013 7.7611 7.7611 k = 0.4697 0.4266 0.0000 ( 14272 PWs) bands (ev): -16.4837 -16.4837 -16.4354 -16.4354 -9.8552 -9.8552 -6.2186 -6.2186 -5.1481 -5.1481 -5.1348 -5.1348 -3.9469 -3.9469 -3.7813 -3.7813 -3.6413 -3.6413 -3.5021 -3.5021 0.0571 0.0571 0.9060 0.9060 1.4189 1.4189 3.4416 3.4416 3.7566 3.7566 6.4062 6.4062 6.9546 6.9546 7.4874 7.4874 7.7674 7.7674 k = 0.4545 0.4128 0.0000 ( 14282 PWs) bands (ev): -16.4845 -16.4845 -16.4346 -16.4346 -9.8543 -9.8543 -6.2159 -6.2159 -5.1501 -5.1501 -5.1344 -5.1344 -3.9482 -3.9482 -3.7812 -3.7812 -3.6453 -3.6453 -3.5029 -3.5029 0.0573 0.0573 0.9095 0.9095 1.4163 1.4163 3.4464 3.4464 3.7538 3.7538 6.4136 6.4136 6.9571 6.9571 7.4648 7.4648 7.7779 7.7779 k = 0.4394 0.3991 0.0000 ( 14288 PWs) bands (ev): -16.4857 -16.4857 -16.4336 -16.4336 -9.8531 -9.8531 -6.2123 -6.2123 -5.1529 -5.1529 -5.1340 -5.1340 -3.9500 -3.9500 -3.7811 -3.7811 -3.6507 -3.6507 -3.5040 -3.5040 0.0574 0.0574 0.9142 0.9142 1.4128 1.4128 3.4532 3.4532 3.7499 3.7499 6.4238 6.4238 6.9605 6.9605 7.4343 7.4343 7.7924 7.7925 k = 0.4242 0.3853 0.0000 ( 14294 PWs) bands (ev): -16.4871 -16.4871 -16.4323 -16.4323 -9.8515 -9.8515 -6.2076 -6.2076 -5.1564 -5.1564 -5.1336 -5.1336 -3.9522 -3.9522 -3.7811 -3.7811 -3.6575 -3.6575 -3.5054 -3.5054 0.0576 0.0576 0.9202 0.9202 1.4083 1.4083 3.4617 3.4617 3.7450 3.7450 6.4367 6.4367 6.9647 6.9647 7.3969 7.3969 7.8111 7.8111 k = 0.4091 0.3716 0.0000 ( 14306 PWs) bands (ev): -16.4887 -16.4887 -16.4308 -16.4308 -9.8496 -9.8496 -6.2018 -6.2018 -5.1606 -5.1606 -5.1331 -5.1331 -3.9548 -3.9548 -3.7813 -3.7813 -3.6655 -3.6655 -3.5071 -3.5071 0.0578 0.0578 0.9275 0.9275 1.4029 1.4029 3.4721 3.4721 3.7391 3.7391 6.4520 6.4520 6.9696 6.9696 7.3538 7.3538 7.8336 7.8336 k = 0.3939 0.3578 0.0000 ( 14314 PWs) bands (ev): -16.4905 -16.4905 -16.4292 -16.4292 -9.8474 -9.8474 -6.1951 -6.1951 -5.1656 -5.1656 -5.1326 -5.1326 -3.9578 -3.9578 -3.7819 -3.7819 -3.6743 -3.6743 -3.5091 -3.5091 0.0579 0.0579 0.9358 0.9358 1.3966 1.3966 3.4841 3.4841 3.7323 3.7323 6.4697 6.4697 6.9748 6.9748 7.3061 7.3061 7.8600 7.8600 k = 0.3788 0.3440 0.0000 ( 14310 PWs) bands (ev): -16.4924 -16.4924 -16.4275 -16.4275 -9.8449 -9.8449 -6.1875 -6.1875 -5.1713 -5.1713 -5.1321 -5.1321 -3.9612 -3.9612 -3.7829 -3.7829 -3.6837 -3.6837 -3.5114 -3.5114 0.0579 0.0579 0.9451 0.9451 1.3895 1.3895 3.4978 3.4978 3.7248 3.7248 6.4892 6.4892 6.9802 6.9802 7.2553 7.2553 7.8899 7.8899 k = 0.3636 0.3303 0.0000 ( 14318 PWs) bands (ev): -16.4945 -16.4945 -16.4258 -16.4258 -9.8422 -9.8422 -6.1789 -6.1789 -5.1778 -5.1778 -5.1315 -5.1315 -3.9648 -3.9648 -3.7849 -3.7849 -3.6932 -3.6932 -3.5140 -3.5140 0.0579 0.0579 0.9554 0.9554 1.3818 1.3818 3.5129 3.5129 3.7166 3.7166 6.5100 6.5100 6.9856 6.9856 7.2027 7.2027 7.9232 7.9232 k = 0.3485 0.3165 0.0000 ( 14316 PWs) bands (ev): -16.4966 -16.4966 -16.4239 -16.4239 -9.8392 -9.8392 -6.1694 -6.1694 -5.1850 -5.1850 -5.1308 -5.1308 -3.9687 -3.9687 -3.7881 -3.7881 -3.7023 -3.7023 -3.5168 -3.5168 0.0577 0.0577 0.9665 0.9665 1.3733 1.3733 3.5294 3.5294 3.7079 3.7079 6.5314 6.5315 6.9907 6.9907 7.1499 7.1499 7.9595 7.9595 k = 0.3333 0.3027 0.0000 ( 14320 PWs) bands (ev): -16.4988 -16.4988 -16.4220 -16.4220 -9.8360 -9.8360 -6.1590 -6.1590 -5.1929 -5.1929 -5.1302 -5.1302 -3.9729 -3.9729 -3.7929 -3.7929 -3.7104 -3.7104 -3.5198 -3.5198 0.0574 0.0574 0.9782 0.9782 1.3643 1.3643 3.5470 3.5470 3.6988 3.6988 6.5523 6.5523 6.9950 6.9950 7.0989 7.0989 7.9976 7.9976 k = 0.3182 0.2890 0.0000 ( 14342 PWs) bands (ev): -16.5010 -16.5010 -16.4201 -16.4201 -9.8327 -9.8327 -6.1478 -6.1478 -5.2016 -5.2016 -5.1295 -5.1295 -3.9772 -3.9772 -3.7999 -3.7999 -3.7169 -3.7169 -3.5230 -3.5230 0.0569 0.0569 0.9905 0.9905 1.3549 1.3549 3.5656 3.5656 3.6897 3.6897 6.5707 6.5707 6.9976 6.9976 7.0526 7.0526 8.0332 8.0332 k = 0.3030 0.2752 0.0000 ( 14330 PWs) bands (ev): -16.5032 -16.5032 -16.4183 -16.4183 -9.8292 -9.8292 -6.1359 -6.1359 -5.2110 -5.2110 -5.1288 -5.1288 -3.9818 -3.9818 -3.8089 -3.8089 -3.7216 -3.7216 -3.5264 -3.5264 0.0563 0.0563 1.0031 1.0031 1.3451 1.3451 3.5845 3.5845 3.6809 3.6809 6.5843 6.5843 6.9934 6.9934 7.0189 7.0189 8.0623 8.0623 k = 0.2879 0.2615 0.0000 ( 14332 PWs) bands (ev): -16.5054 -16.5054 -16.4164 -16.4164 -9.8255 -9.8255 -6.1232 -6.1232 -5.2210 -5.2210 -5.1280 -5.1280 -3.9866 -3.9866 -3.8197 -3.8197 -3.7246 -3.7246 -3.5300 -3.5300 0.0555 0.0555 1.0160 1.0160 1.3350 1.3350 3.6027 3.6027 3.6735 3.6735 6.5895 6.5895 6.9735 6.9735 7.0104 7.0104 8.0856 8.0856 k = 0.2727 0.2477 0.0000 ( 14310 PWs) bands (ev): -16.5075 -16.5075 -16.4146 -16.4146 -9.8218 -9.8218 -6.1099 -6.1099 -5.2317 -5.2317 -5.1273 -5.1273 -3.9917 -3.9917 -3.8318 -3.8318 -3.7262 -3.7262 -3.5336 -3.5336 0.0545 0.0545 1.0290 1.0290 1.3247 1.3247 3.6175 3.6175 3.6701 3.6701 6.5831 6.5831 6.9586 6.9586 7.0092 7.0092 8.1017 8.1017 k = 0.2576 0.2339 0.0000 ( 14332 PWs) bands (ev): -16.5097 -16.5097 -16.4128 -16.4128 -9.8181 -9.8181 -6.0959 -6.0959 -5.2430 -5.2430 -5.1265 -5.1265 -3.9972 -3.9972 -3.8445 -3.8445 -3.7268 -3.7268 -3.5373 -3.5373 0.0534 0.0534 1.0419 1.0419 1.3145 1.3145 3.6236 3.6236 3.6760 3.6760 6.5642 6.5642 6.9575 6.9575 7.0081 7.0081 8.1093 8.1093 k = 0.2424 0.2202 0.0000 ( 14344 PWs) bands (ev): -16.5118 -16.5118 -16.4110 -16.4110 -9.8143 -9.8143 -6.0815 -6.0815 -5.2548 -5.2548 -5.1257 -5.1257 -4.0030 -4.0030 -3.8573 -3.8573 -3.7267 -3.7267 -3.5411 -3.5411 0.0521 0.0521 1.0546 1.0546 1.3043 1.3043 3.6206 3.6206 3.6915 3.6915 6.5344 6.5344 6.9684 6.9684 7.0067 7.0067 8.1078 8.1078 k = 0.2273 0.2064 0.0000 ( 14346 PWs) bands (ev): -16.5138 -16.5138 -16.4093 -16.4093 -9.8105 -9.8105 -6.0667 -6.0667 -5.2671 -5.2671 -5.1249 -5.1249 -4.0094 -4.0094 -3.8697 -3.8697 -3.7261 -3.7261 -3.5448 -3.5448 0.0508 0.0508 1.0669 1.0669 1.2943 1.2943 3.6133 3.6133 3.7116 3.7116 6.4975 6.4975 6.9842 6.9842 7.0085 7.0085 8.0975 8.0975 k = 0.2121 0.1927 0.0000 ( 14342 PWs) bands (ev): -16.5157 -16.5157 -16.4077 -16.4077 -9.8068 -9.8068 -6.0515 -6.0515 -5.2798 -5.2798 -5.1242 -5.1242 -4.0163 -4.0163 -3.8814 -3.8814 -3.7253 -3.7253 -3.5485 -3.5485 0.0493 0.0493 1.0787 1.0787 1.2847 1.2847 3.6047 3.6047 3.7334 3.7334 6.4565 6.4565 6.9882 6.9882 7.0269 7.0269 8.0800 8.0800 k = 0.1970 0.1789 0.0000 ( 14334 PWs) bands (ev): -16.5176 -16.5176 -16.4062 -16.4062 -9.8032 -9.8032 -6.0361 -6.0361 -5.2928 -5.2928 -5.1234 -5.1234 -4.0239 -4.0239 -3.8920 -3.8920 -3.7243 -3.7243 -3.5520 -3.5520 0.0477 0.0477 1.0899 1.0899 1.2755 1.2755 3.5957 3.5957 3.7556 3.7556 6.4140 6.4140 6.9831 6.9831 7.0565 7.0565 8.0573 8.0573 k = 0.1818 0.1651 0.0000 ( 14318 PWs) bands (ev): -16.5194 -16.5194 -16.4047 -16.4047 -9.7997 -9.7997 -6.0207 -6.0207 -5.3061 -5.3061 -5.1226 -5.1226 -4.0321 -4.0321 -3.9012 -3.9012 -3.7233 -3.7233 -3.5554 -3.5554 0.0461 0.0461 1.1002 1.1002 1.2670 1.2670 3.5867 3.5867 3.7778 3.7778 6.3717 6.3717 6.9754 6.9754 7.0893 7.0893 8.0317 8.0317 k = 0.1667 0.1514 0.0000 ( 14330 PWs) bands (ev): -16.5211 -16.5211 -16.4033 -16.4033 -9.7963 -9.7963 -6.0052 -6.0052 -5.3194 -5.3194 -5.1219 -5.1219 -4.0408 -4.0408 -3.9091 -3.9091 -3.7223 -3.7223 -3.5587 -3.5587 0.0445 0.0445 1.1095 1.1095 1.2593 1.2593 3.5780 3.5780 3.7995 3.7995 6.3305 6.3305 6.9663 6.9663 7.1225 7.1225 8.0053 8.0053 k = 0.1515 0.1376 0.0000 ( 14336 PWs) bands (ev): -16.5226 -16.5226 -16.4021 -16.4021 -9.7932 -9.7932 -5.9900 -5.9900 -5.3326 -5.3326 -5.1212 -5.1212 -4.0499 -4.0499 -3.9156 -3.9156 -3.7213 -3.7213 -3.5617 -3.5617 0.0429 0.0429 1.1176 1.1176 1.2525 1.2525 3.5698 3.5698 3.8204 3.8204 6.2914 6.2914 6.9563 6.9563 7.1549 7.1549 7.9798 7.9798 k = 0.1364 0.1239 0.0000 ( 14336 PWs) bands (ev): -16.5240 -16.5240 -16.4009 -16.4009 -9.7902 -9.7902 -5.9751 -5.9751 -5.3456 -5.3456 -5.1205 -5.1205 -4.0590 -4.0590 -3.9209 -3.9209 -3.7205 -3.7205 -3.5644 -3.5644 0.0414 0.0414 1.1245 1.1245 1.2468 1.2468 3.5621 3.5621 3.8403 3.8403 6.2548 6.2548 6.9460 6.9460 7.1852 7.1852 7.9565 7.9565 k = 0.1212 0.1101 0.0000 ( 14346 PWs) bands (ev): -16.5253 -16.5253 -16.3998 -16.3998 -9.7875 -9.7875 -5.9609 -5.9609 -5.3582 -5.3582 -5.1199 -5.1199 -4.0681 -4.0681 -3.9250 -3.9250 -3.7198 -3.7198 -3.5669 -3.5669 0.0399 0.0399 1.1301 1.1301 1.2422 1.2422 3.5551 3.5551 3.8589 3.8589 6.2213 6.2213 6.9355 6.9355 7.2126 7.2126 7.9363 7.9363 k = 0.1061 0.0963 0.0000 ( 14366 PWs) bands (ev): -16.5265 -16.5265 -16.3989 -16.3989 -9.7850 -9.7850 -5.9474 -5.9474 -5.3702 -5.3702 -5.1193 -5.1193 -4.0767 -4.0767 -3.9282 -3.9282 -3.7192 -3.7192 -3.5691 -3.5691 0.0385 0.0385 1.1344 1.1344 1.2388 1.2388 3.5487 3.5487 3.8759 3.8759 6.1911 6.1911 6.9252 6.9252 7.2365 7.2365 7.9199 7.9199 k = 0.0909 0.0826 0.0000 ( 14380 PWs) bands (ev): -16.5275 -16.5275 -16.3980 -16.3980 -9.7828 -9.7828 -5.9349 -5.9349 -5.3813 -5.3813 -5.1188 -5.1188 -4.0846 -4.0846 -3.9306 -3.9306 -3.7188 -3.7188 -3.5710 -3.5710 0.0372 0.0372 1.1374 1.1374 1.2365 1.2365 3.5430 3.5430 3.8911 3.8911 6.1645 6.1645 6.9156 6.9156 7.2566 7.2566 7.9074 7.9074 k = 0.0758 0.0688 0.0000 ( 14396 PWs) bands (ev): -16.5284 -16.5284 -16.3973 -16.3973 -9.7809 -9.7809 -5.9237 -5.9237 -5.3914 -5.3914 -5.1184 -5.1184 -4.0917 -4.0917 -3.9324 -3.9324 -3.7185 -3.7185 -3.5726 -3.5726 0.0361 0.0361 1.1393 1.1393 1.2352 1.2352 3.5382 3.5382 3.9044 3.9044 6.1416 6.1416 6.9069 6.9069 7.2727 7.2727 7.8986 7.8986 k = 0.0606 0.0550 0.0000 ( 14375 PWs) bands (ev): -16.5291 -16.5291 -16.3968 -16.3968 -9.7794 -9.7794 -5.9141 -5.9141 -5.4000 -5.4000 -5.1180 -5.1180 -4.0978 -4.0978 -3.9337 -3.9337 -3.7182 -3.7182 -3.5739 -3.5739 0.0352 0.0352 1.1404 1.1404 1.2345 1.2345 3.5342 3.5342 3.9155 3.9155 6.1227 6.1227 6.8994 6.8994 7.2851 7.2851 7.8929 7.8929 k = 0.0455 0.0413 0.0000 ( 14385 PWs) bands (ev): -16.5297 -16.5297 -16.3963 -16.3963 -9.7781 -9.7781 -5.9062 -5.9062 -5.4071 -5.4071 -5.1177 -5.1177 -4.1026 -4.1026 -3.9346 -3.9346 -3.7181 -3.7181 -3.5749 -3.5749 0.0344 0.0344 1.1409 1.1409 1.2343 1.2343 3.5311 3.5311 3.9244 3.9244 6.1079 6.1079 6.8932 6.8932 7.2940 7.2940 7.8896 7.8896 k = 0.0303 0.0275 0.0000 ( 14383 PWs) bands (ev): -16.5301 -16.5301 -16.3960 -16.3960 -9.7772 -9.7772 -5.9004 -5.9004 -5.4124 -5.4124 -5.1175 -5.1175 -4.1062 -4.1062 -3.9351 -3.9351 -3.7180 -3.7180 -3.5756 -3.5756 0.0339 0.0339 1.1410 1.1410 1.2344 1.2344 3.5288 3.5288 3.9308 3.9308 6.0973 6.0973 6.8887 6.8887 7.3000 7.3000 7.8880 7.8880 k = 0.0152 0.0138 0.0000 ( 14387 PWs) bands (ev): -16.5303 -16.5303 -16.3958 -16.3958 -9.7767 -9.7767 -5.8969 -5.8969 -5.4156 -5.4156 -5.1174 -5.1174 -4.1083 -4.1083 -3.9354 -3.9354 -3.7180 -3.7180 -3.5760 -3.5760 0.0335 0.0335 1.1411 1.1411 1.2345 1.2345 3.5274 3.5274 3.9346 3.9346 6.0909 6.0909 6.8860 6.8860 7.3034 7.3034 7.8873 7.8873 k = 0.0000 0.0000 0.0000 ( 14373 PWs) bands (ev): -16.5304 -16.5304 -16.3957 -16.3957 -9.7765 -9.7765 -5.8957 -5.8957 -5.4167 -5.4167 -5.1173 -5.1173 -4.1090 -4.1090 -3.9356 -3.9356 -3.7180 -3.7180 -3.5762 -3.5762 0.0334 0.0334 1.1411 1.1411 1.2345 1.2345 3.5270 3.5270 3.9359 3.9359 6.0887 6.0887 6.8850 6.8850 7.3044 7.3044 7.8871 7.8871 k = 0.0000 0.0000 0.0000 ( 14373 PWs) bands (ev): -16.5304 -16.5304 -16.3957 -16.3957 -9.7765 -9.7765 -5.8957 -5.8957 -5.4167 -5.4167 -5.1173 -5.1173 -4.1090 -4.1090 -3.9356 -3.9356 -3.7180 -3.7180 -3.5762 -3.5762 0.0334 0.0334 1.1411 1.1411 1.2345 1.2345 3.5270 3.5270 3.9359 3.9359 6.0887 6.0887 6.8850 6.8850 7.3044 7.3044 7.8871 7.8871 k = 0.0109-0.0120 0.0122 ( 14379 PWs) bands (ev): -16.5303 -16.5303 -16.3958 -16.3958 -9.7766 -9.7766 -5.8965 -5.8965 -5.4159 -5.4159 -5.1176 -5.1176 -4.1083 -4.1083 -3.9351 -3.9351 -3.7181 -3.7181 -3.5768 -3.5768 0.0339 0.0339 1.1412 1.1412 1.2346 1.2346 3.5271 3.5271 3.9353 3.9353 6.0898 6.0898 6.8672 6.8672 7.3250 7.3250 7.8882 7.8882 k = 0.0218-0.0240 0.0243 ( 14379 PWs) bands (ev): -16.5300 -16.5300 -16.3961 -16.3961 -9.7769 -9.7769 -5.8988 -5.8988 -5.4135 -5.4135 -5.1183 -5.1183 -4.1062 -4.1062 -3.9337 -3.9337 -3.7183 -3.7183 -3.5786 -3.5786 0.0353 0.0353 1.1416 1.1416 1.2349 1.2349 3.5276 3.5276 3.9333 3.9333 6.0929 6.0929 6.8223 6.8223 7.3782 7.3782 7.8913 7.8913 k = 0.0328-0.0361 0.0365 ( 14363 PWs) bands (ev): -16.5294 -16.5294 -16.3966 -16.3966 -9.7773 -9.7773 -5.9026 -5.9026 -5.4096 -5.4096 -5.1195 -5.1195 -4.1027 -4.1027 -3.9314 -3.9314 -3.7188 -3.7188 -3.5815 -3.5815 0.0375 0.0375 1.1422 1.1422 1.2354 1.2354 3.5284 3.5284 3.9300 3.9300 6.0973 6.0973 6.7648 6.7648 7.4500 7.4500 7.8965 7.8965 k = 0.0437-0.0481 0.0486 ( 14371 PWs) bands (ev): -16.5287 -16.5287 -16.3974 -16.3974 -9.7779 -9.7779 -5.9078 -5.9078 -5.4041 -5.4041 -5.1211 -5.1211 -4.0979 -4.0979 -3.9283 -3.9283 -3.7194 -3.7194 -3.5856 -3.5856 0.0406 0.0406 1.1430 1.1430 1.2361 1.2361 3.5295 3.5295 3.9255 3.9255 6.1018 6.1018 6.7049 6.7049 7.5311 7.5311 7.9037 7.9037 k = 0.0546-0.0601 0.0608 ( 14377 PWs) bands (ev): -16.5277 -16.5277 -16.3983 -16.3983 -9.7786 -9.7786 -5.9143 -5.9143 -5.3974 -5.3974 -5.1231 -5.1231 -4.0918 -4.0918 -3.9243 -3.9243 -3.7203 -3.7203 -3.5907 -3.5907 0.0446 0.0446 1.1439 1.1439 1.2371 1.2371 3.5309 3.5309 3.9196 3.9196 6.1045 6.1045 6.6493 6.6493 7.6165 7.6165 7.9128 7.9128 k = 0.0655-0.0721 0.0729 ( 14379 PWs) bands (ev): -16.5265 -16.5265 -16.3994 -16.3994 -9.7795 -9.7795 -5.9219 -5.9219 -5.3895 -5.3895 -5.1255 -5.1255 -4.0844 -4.0844 -3.9194 -3.9194 -3.7213 -3.7213 -3.5968 -3.5968 0.0492 0.0492 1.1449 1.1449 1.2383 1.2383 3.5326 3.5326 3.9126 3.9126 6.1027 6.1027 6.6032 6.6032 7.7030 7.7030 7.9240 7.9240 k = 0.0764-0.0842 0.0851 ( 14371 PWs) bands (ev): -16.5251 -16.5251 -16.4007 -16.4007 -9.7806 -9.7806 -5.9305 -5.9305 -5.3806 -5.3806 -5.1283 -5.1283 -4.0758 -4.0758 -3.9138 -3.9138 -3.7226 -3.7226 -3.6038 -3.6038 0.0545 0.0545 1.1459 1.1459 1.2399 1.2399 3.5347 3.5347 3.9044 3.9044 6.0933 6.0933 6.5709 6.5709 7.7885 7.7885 7.9371 7.9371 k = 0.0874-0.0962 0.0972 ( 14369 PWs) bands (ev): -16.5236 -16.5236 -16.4022 -16.4022 -9.7818 -9.7818 -5.9400 -5.9400 -5.3707 -5.3707 -5.1313 -5.1313 -4.0661 -4.0661 -3.9075 -3.9075 -3.7242 -3.7242 -3.6115 -3.6115 0.0603 0.0603 1.1468 1.1468 1.2418 1.2418 3.5370 3.5370 3.8951 3.8951 6.0742 6.0742 6.5556 6.5556 7.8709 7.8709 7.9524 7.9524 k = 0.0983-0.1082 0.1094 ( 14377 PWs) bands (ev): -16.5218 -16.5218 -16.4039 -16.4039 -9.7832 -9.7832 -5.9501 -5.9501 -5.3602 -5.3602 -5.1345 -5.1345 -4.0554 -4.0554 -3.9006 -3.9006 -3.7262 -3.7262 -3.6197 -3.6197 0.0666 0.0666 1.1474 1.1474 1.2441 1.2441 3.5396 3.5396 3.8847 3.8847 6.0455 6.0455 6.5576 6.5576 7.9457 7.9457 7.9729 7.9729 k = 0.1092-0.1202 0.1215 ( 14369 PWs) bands (ev): -16.5199 -16.5199 -16.4057 -16.4057 -9.7847 -9.7847 -5.9607 -5.9607 -5.3491 -5.3491 -5.1378 -5.1378 -4.0437 -4.0437 -3.8930 -3.8930 -3.7286 -3.7286 -3.6283 -3.6283 0.0733 0.0733 1.1478 1.1478 1.2469 1.2469 3.5426 3.5426 3.8734 3.8734 6.0093 6.0093 6.5751 6.5751 7.9825 7.9825 8.0271 8.0271 k = 0.1201-0.1323 0.1337 ( 14361 PWs) bands (ev): -16.5177 -16.5177 -16.4077 -16.4077 -9.7863 -9.7863 -5.9718 -5.9718 -5.3375 -5.3375 -5.1412 -5.1412 -4.0311 -4.0311 -3.8849 -3.8849 -3.7316 -3.7316 -3.6370 -3.6370 0.0801 0.0801 1.1478 1.1478 1.2501 1.2501 3.5458 3.5458 3.8611 3.8611 5.9687 5.9687 6.6052 6.6052 8.0037 8.0037 8.0905 8.0905 k = 0.1310-0.1443 0.1458 ( 14365 PWs) bands (ev): -16.5155 -16.5155 -16.4099 -16.4099 -9.7881 -9.7881 -5.9831 -5.9831 -5.3258 -5.3258 -5.1445 -5.1445 -4.0177 -4.0177 -3.8764 -3.8764 -3.7353 -3.7353 -3.6456 -3.6456 0.0871 0.0871 1.1473 1.1473 1.2539 1.2539 3.5493 3.5493 3.8479 3.8479 5.9267 5.9267 6.6449 6.6449 8.0254 8.0254 8.1441 8.1441 k = 0.1420-0.1563 0.1580 ( 14369 PWs) bands (ev): -16.5130 -16.5130 -16.4121 -16.4121 -9.7901 -9.7901 -5.9947 -5.9947 -5.3140 -5.3140 -5.1477 -5.1477 -4.0036 -4.0036 -3.8676 -3.8676 -3.7400 -3.7400 -3.6536 -3.6536 0.0940 0.0940 1.1462 1.1462 1.2581 1.2581 3.5531 3.5531 3.8339 3.8339 5.8853 5.8853 6.6920 6.6920 8.0486 8.0486 8.1818 8.1818 k = 0.1529-0.1683 0.1702 ( 14351 PWs) bands (ev): -16.5105 -16.5105 -16.4146 -16.4146 -9.7921 -9.7921 -6.0063 -6.0063 -5.3023 -5.3023 -5.1506 -5.1506 -3.9888 -3.9888 -3.8584 -3.8584 -3.7457 -3.7457 -3.6609 -3.6609 0.1008 0.1008 1.1444 1.1444 1.2629 1.2629 3.5573 3.5573 3.8193 3.8193 5.8463 5.8463 6.7444 6.7444 8.0733 8.0733 8.1954 8.1954 k = 0.1638-0.1803 0.1823 ( 14335 PWs) bands (ev): -16.5078 -16.5078 -16.4171 -16.4171 -9.7943 -9.7943 -6.0180 -6.0180 -5.2909 -5.2909 -5.1531 -5.1531 -3.9736 -3.9736 -3.8492 -3.8492 -3.7526 -3.7526 -3.6670 -3.6670 0.1073 0.1073 1.1420 1.1420 1.2681 1.2681 3.5617 3.5617 3.8040 3.8040 5.8106 5.8106 6.8006 6.8006 8.0996 8.0996 8.1825 8.1825 k = 0.1747-0.1924 0.1945 ( 14339 PWs) bands (ev): -16.5050 -16.5050 -16.4197 -16.4197 -9.7966 -9.7966 -6.0296 -6.0296 -5.2800 -5.2800 -5.1550 -5.1550 -3.9579 -3.9579 -3.8399 -3.8399 -3.7606 -3.7606 -3.6719 -3.6719 0.1134 0.1134 1.1388 1.1388 1.2738 1.2738 3.5664 3.5664 3.7881 3.7881 5.7792 5.7792 6.8588 6.8588 8.1277 8.1277 8.1539 8.1539 k = 0.1856-0.2044 0.2066 ( 14335 PWs) bands (ev): -16.5021 -16.5021 -16.4225 -16.4225 -9.7989 -9.7989 -6.0410 -6.0410 -5.2699 -5.2699 -5.1560 -5.1560 -3.9419 -3.9419 -3.8308 -3.8308 -3.7697 -3.7697 -3.6755 -3.6755 0.1190 0.1190 1.1349 1.1349 1.2800 1.2800 3.5714 3.5714 3.7718 3.7718 5.7525 5.7525 6.9171 6.9171 8.1202 8.1202 8.1577 8.1577 k = 0.1966-0.2164 0.2188 ( 14355 PWs) bands (ev): -16.4991 -16.4991 -16.4253 -16.4253 -9.8014 -9.8014 -6.0523 -6.0523 -5.2609 -5.2609 -5.1561 -5.1561 -3.9257 -3.9257 -3.8221 -3.8221 -3.7791 -3.7791 -3.6779 -3.6779 0.1240 0.1240 1.1302 1.1302 1.2864 1.2864 3.5766 3.5766 3.7552 3.7552 5.7310 5.7310 6.9733 6.9733 8.0875 8.0875 8.1895 8.1895 k = 0.2075-0.2284 0.2309 ( 14365 PWs) bands (ev): -16.4960 -16.4960 -16.4281 -16.4281 -9.8039 -9.8039 -6.0634 -6.0634 -5.2531 -5.2531 -5.1549 -5.1549 -3.9095 -3.9095 -3.8150 -3.8150 -3.7877 -3.7877 -3.6792 -3.6792 0.1283 0.1283 1.1248 1.1248 1.2931 1.2931 3.5821 3.5821 3.7383 3.7383 5.7151 5.7151 7.0248 7.0248 8.0597 8.0597 8.2233 8.2233 k = 0.2184-0.2405 0.2431 ( 14365 PWs) bands (ev): -16.4928 -16.4928 -16.4311 -16.4311 -9.8065 -9.8065 -6.0742 -6.0742 -5.2467 -5.2467 -5.1525 -5.1525 -3.8936 -3.8936 -3.8134 -3.8134 -3.7912 -3.7912 -3.6794 -3.6794 0.1319 0.1319 1.1186 1.1186 1.3001 1.3001 3.5879 3.5879 3.7214 3.7214 5.7050 5.7050 7.0684 7.0684 8.0404 8.0404 8.2591 8.2591 k = 0.2293-0.2525 0.2552 ( 14341 PWs) bands (ev): -16.4897 -16.4897 -16.4340 -16.4340 -9.8092 -9.8092 -6.0848 -6.0848 -5.2418 -5.2418 -5.1487 -5.1487 -3.8782 -3.8782 -3.8198 -3.8198 -3.7865 -3.7865 -3.6788 -3.6788 0.1346 0.1346 1.1117 1.1117 1.3073 1.3073 3.5937 3.5937 3.7044 3.7044 5.7008 5.7008 7.1009 7.1009 8.0325 8.0325 8.2968 8.2968 k = 0.2402-0.2645 0.2674 ( 14357 PWs) bands (ev): -16.4864 -16.4864 -16.4370 -16.4370 -9.8119 -9.8119 -6.0950 -6.0950 -5.2381 -5.2381 -5.1437 -5.1437 -3.8643 -3.8643 -3.8288 -3.8288 -3.7784 -3.7784 -3.6772 -3.6772 0.1364 0.1364 1.1042 1.1042 1.3145 1.3145 3.5996 3.5996 3.6878 3.6878 5.7027 5.7027 7.1198 7.1198 8.0378 8.0378 8.3354 8.3354 k = 0.2512-0.2765 0.2795 ( 14347 PWs) bands (ev): -16.4832 -16.4832 -16.4400 -16.4400 -9.8146 -9.8146 -6.1048 -6.1048 -5.2355 -5.2355 -5.1380 -5.1380 -3.8550 -3.8550 -3.8347 -3.8347 -3.7691 -3.7691 -3.6749 -3.6749 0.1373 0.1373 1.0960 1.0960 1.3218 1.3218 3.6051 3.6051 3.6720 3.6720 5.7107 5.7107 7.1240 7.1240 8.0556 8.0556 8.3691 8.3691 k = 0.2621-0.2886 0.2917 ( 14347 PWs) bands (ev): -16.4800 -16.4800 -16.4430 -16.4430 -9.8174 -9.8174 -6.1144 -6.1144 -5.2337 -5.2337 -5.1317 -5.1317 -3.8578 -3.8578 -3.8298 -3.8298 -3.7591 -3.7591 -3.6718 -3.6718 0.1374 0.1374 1.0871 1.0871 1.3291 1.3291 3.6093 3.6093 3.6578 3.6578 5.7248 5.7248 7.1144 7.1144 8.0821 8.0821 8.3916 8.3916 k = 0.2730-0.3006 0.3038 ( 14337 PWs) bands (ev): -16.4767 -16.4767 -16.4459 -16.4459 -9.8201 -9.8201 -6.1235 -6.1235 -5.2323 -5.2323 -5.1253 -5.1253 -3.8665 -3.8665 -3.8202 -3.8202 -3.7482 -3.7482 -3.6679 -3.6679 0.1365 0.1365 1.0777 1.0777 1.3363 1.3363 3.6098 3.6098 3.6480 3.6480 5.7449 5.7449 7.0931 7.0931 8.1111 8.1111 8.4180 8.4180 k = 0.2839-0.3126 0.3160 ( 14337 PWs) bands (ev): -16.4736 -16.4736 -16.4489 -16.4489 -9.8229 -9.8229 -6.1323 -6.1323 -5.2310 -5.2310 -5.1190 -5.1190 -3.8760 -3.8760 -3.8113 -3.8113 -3.7367 -3.7367 -3.6632 -3.6632 0.1348 0.1348 1.0677 1.0677 1.3434 1.3434 3.6034 3.6034 3.6456 3.6456 5.7708 5.7708 7.0631 7.0631 8.1359 8.1359 8.4517 8.4517 k = 0.2948-0.3246 0.3282 ( 14321 PWs) bands (ev): -16.4704 -16.4704 -16.4518 -16.4518 -9.8256 -9.8256 -6.1407 -6.1407 -5.2298 -5.2298 -5.1130 -5.1130 -3.8853 -3.8853 -3.8037 -3.8037 -3.7247 -3.7247 -3.6577 -3.6577 0.1324 0.1324 1.0573 1.0573 1.3504 1.3504 3.5917 3.5917 3.6492 3.6492 5.8025 5.8025 7.0269 7.0269 8.1528 8.1528 8.4516 8.4516 k = 0.3058-0.3367 0.3403 ( 14321 PWs) bands (ev): -16.4673 -16.4673 -16.4546 -16.4546 -9.8282 -9.8282 -6.1487 -6.1487 -5.2284 -5.2284 -5.1075 -5.1075 -3.8940 -3.8940 -3.7976 -3.7976 -3.7127 -3.7127 -3.6512 -3.6512 0.1291 0.1291 1.0466 1.0466 1.3571 1.3571 3.5780 3.5780 3.6554 3.6554 5.8396 5.8396 6.9871 6.9871 8.1616 8.1616 8.3815 8.3815 k = 0.3167-0.3487 0.3525 ( 14329 PWs) bands (ev): -16.4643 -16.4643 -16.4574 -16.4574 -9.8309 -9.8309 -6.1563 -6.1563 -5.2267 -5.2267 -5.1027 -5.1027 -3.9020 -3.9020 -3.7928 -3.7928 -3.7012 -3.7012 -3.6435 -3.6435 0.1253 0.1253 1.0355 1.0355 1.3637 1.3637 3.5640 3.5640 3.6627 3.6627 5.8819 5.8819 6.9454 6.9454 8.1633 8.1633 8.2991 8.2991 k = 0.3276-0.3607 0.3646 ( 14317 PWs) bands (ev): -16.4614 -16.4614 -16.4600 -16.4600 -9.8334 -9.8334 -6.1635 -6.1635 -5.2247 -5.2247 -5.0987 -5.0987 -3.9094 -3.9094 -3.7891 -3.7891 -3.6907 -3.6907 -3.6346 -3.6346 0.1208 0.1208 1.0242 1.0242 1.3700 1.3700 3.5502 3.5502 3.6706 3.6706 5.9290 5.9290 6.9033 6.9033 8.1558 8.1558 8.2213 8.2213 k = 0.3385-0.3727 0.3768 ( 14311 PWs) bands (ev): -16.4626 -16.4626 -16.4585 -16.4585 -9.8359 -9.8359 -6.1703 -6.1703 -5.2223 -5.2223 -5.0955 -5.0955 -3.9159 -3.9159 -3.7862 -3.7862 -3.6815 -3.6815 -3.6244 -3.6244 0.1159 0.1159 1.0129 1.0129 1.3760 1.3760 3.5369 3.5369 3.6787 3.6787 5.9803 5.9803 6.8621 6.8621 8.1166 8.1166 8.1739 8.1739 k = 0.3494-0.3847 0.3889 ( 14301 PWs) bands (ev): -16.4651 -16.4651 -16.4558 -16.4558 -9.8383 -9.8383 -6.1768 -6.1768 -5.2194 -5.2194 -5.0932 -5.0932 -3.9217 -3.9217 -3.7841 -3.7841 -3.6738 -3.6738 -3.6130 -3.6130 0.1106 0.1106 1.0015 1.0015 1.3817 1.3817 3.5242 3.5242 3.6870 3.6870 6.0352 6.0352 6.8227 6.8227 8.0467 8.0467 8.1561 8.1561 k = 0.3604-0.3968 0.4011 ( 14297 PWs) bands (ev): -16.4674 -16.4674 -16.4532 -16.4532 -9.8406 -9.8406 -6.1827 -6.1827 -5.2161 -5.2161 -5.0918 -5.0918 -3.9267 -3.9267 -3.7825 -3.7825 -3.6673 -3.6673 -3.6010 -3.6010 0.1051 0.1051 0.9902 0.9902 1.3870 1.3870 3.5122 3.5122 3.6952 3.6952 6.0929 6.0929 6.7862 6.7862 7.9755 7.9755 8.1287 8.1287 k = 0.3713-0.4088 0.4132 ( 14301 PWs) bands (ev): -16.4696 -16.4696 -16.4508 -16.4508 -9.8427 -9.8427 -6.1883 -6.1883 -5.2123 -5.2123 -5.0913 -5.0913 -3.9310 -3.9310 -3.7814 -3.7814 -3.6619 -3.6619 -3.5887 -3.5887 0.0995 0.0995 0.9791 0.9791 1.3920 1.3920 3.5011 3.5011 3.7032 3.7032 6.1522 6.1522 6.7538 6.7538 7.9078 7.9078 8.0783 8.0783 k = 0.3822-0.4208 0.4254 ( 14301 PWs) bands (ev): -16.4717 -16.4717 -16.4485 -16.4485 -9.8447 -9.8447 -6.1935 -6.1935 -5.2080 -5.2080 -5.0917 -5.0917 -3.9346 -3.9346 -3.7807 -3.7807 -3.6573 -3.6573 -3.5764 -3.5764 0.0939 0.0939 0.9684 0.9684 1.3967 1.3967 3.4908 3.4908 3.7111 3.7111 6.2115 6.2115 6.7267 6.7267 7.8445 7.8445 8.0278 8.0278 k = 0.3822-0.4208 0.4254 ( 14301 PWs) bands (ev): -16.4717 -16.4717 -16.4485 -16.4485 -9.8447 -9.8447 -6.1935 -6.1935 -5.2080 -5.2080 -5.0917 -5.0917 -3.9346 -3.9346 -3.7807 -3.7807 -3.6573 -3.6573 -3.5764 -3.5764 0.0939 0.0939 0.9684 0.9684 1.3967 1.3967 3.4908 3.4908 3.7111 3.7111 6.2115 6.2115 6.7267 6.7267 7.8445 7.8445 8.0278 8.0278 k = 0.3878-0.4031 0.4184 ( 14306 PWs) bands (ev): -16.4707 -16.4707 -16.4497 -16.4497 -9.8435 -9.8435 -6.1903 -6.1903 -5.2106 -5.2106 -5.0915 -5.0915 -3.9327 -3.9327 -3.7813 -3.7813 -3.6599 -3.6599 -3.5835 -3.5835 0.0971 0.0971 0.9748 0.9748 1.3938 1.3938 3.4970 3.4970 3.7063 3.7063 6.1782 6.1782 6.7425 6.7425 7.8768 7.8768 8.0573 8.0573 k = 0.3934-0.3853 0.4114 ( 14306 PWs) bands (ev): -16.4700 -16.4700 -16.4505 -16.4505 -9.8421 -9.8421 -6.1864 -6.1864 -5.2133 -5.2133 -5.0918 -5.0918 -3.9308 -3.9308 -3.7827 -3.7827 -3.6627 -3.6627 -3.5908 -3.5908 0.1004 0.1004 0.9818 0.9818 1.3905 1.3905 3.5041 3.5041 3.7011 3.7011 6.1461 6.1461 6.7624 6.7624 7.9028 7.9028 8.0887 8.0887 k = 0.3990-0.3676 0.4044 ( 14312 PWs) bands (ev): -16.4697 -16.4697 -16.4510 -16.4510 -9.8405 -9.8405 -6.1820 -6.1820 -5.2159 -5.2159 -5.0927 -5.0927 -3.9289 -3.9289 -3.7849 -3.7849 -3.6654 -3.6654 -3.5981 -3.5981 0.1037 0.1037 0.9893 0.9893 1.3867 1.3867 3.5121 3.5121 3.6954 3.6954 6.1158 6.1158 6.7857 6.7857 7.9215 7.9215 8.1192 8.1192 k = 0.4046-0.3498 0.3974 ( 14312 PWs) bands (ev): -16.4697 -16.4697 -16.4511 -16.4511 -9.8387 -9.8387 -6.1770 -6.1770 -5.2187 -5.2187 -5.0941 -5.0941 -3.9269 -3.9269 -3.7881 -3.7881 -3.6681 -3.6681 -3.6054 -3.6054 0.1070 0.1070 0.9971 0.9971 1.3826 1.3826 3.5206 3.5206 3.6893 3.6893 6.0876 6.0876 6.8122 6.8122 7.9319 7.9319 8.1406 8.1406 k = 0.4103-0.3321 0.3903 ( 14319 PWs) bands (ev): -16.4701 -16.4701 -16.4509 -16.4509 -9.8369 -9.8369 -6.1714 -6.1714 -5.2214 -5.2214 -5.0960 -5.0960 -3.9248 -3.9248 -3.7922 -3.7922 -3.6706 -3.6706 -3.6124 -3.6124 0.1102 0.1102 1.0052 1.0052 1.3782 1.3782 3.5296 3.5296 3.6831 3.6831 6.0618 6.0618 6.8414 6.8414 7.9333 7.9333 8.1537 8.1537 k = 0.4159-0.3144 0.3833 ( 14324 PWs) bands (ev): -16.4708 -16.4708 -16.4504 -16.4504 -9.8349 -9.8349 -6.1655 -6.1655 -5.2243 -5.2243 -5.0983 -5.0983 -3.9226 -3.9226 -3.7972 -3.7972 -3.6731 -3.6731 -3.6190 -3.6190 0.1133 0.1133 1.0133 1.0133 1.3736 1.3736 3.5390 3.5390 3.6767 3.6767 6.0384 6.0384 6.8730 6.8730 7.9258 7.9258 8.1647 8.1647 k = 0.4215-0.2966 0.3763 ( 14328 PWs) bands (ev): -16.4716 -16.4716 -16.4498 -16.4498 -9.8329 -9.8329 -6.1591 -6.1591 -5.2271 -5.2271 -5.1011 -5.1011 -3.9203 -3.9203 -3.8029 -3.8029 -3.6758 -3.6758 -3.6249 -3.6249 0.1163 0.1163 1.0215 1.0215 1.3689 1.3689 3.5484 3.5484 3.6703 3.6703 6.0177 6.0177 6.9065 6.9065 7.9102 7.9102 8.1753 8.1753 k = 0.4271-0.2789 0.3693 ( 14320 PWs) bands (ev): -16.4726 -16.4726 -16.4490 -16.4490 -9.8309 -9.8309 -6.1525 -6.1525 -5.2301 -5.2301 -5.1041 -5.1041 -3.9179 -3.9179 -3.8092 -3.8092 -3.6790 -3.6790 -3.6297 -3.6297 0.1192 0.1192 1.0296 1.0296 1.3641 1.3641 3.5577 3.5577 3.6640 3.6640 5.9996 5.9996 6.9415 6.9415 7.8877 7.8877 8.1856 8.1856 k = 0.4327-0.2611 0.3623 ( 14319 PWs) bands (ev): -16.4736 -16.4736 -16.4482 -16.4482 -9.8289 -9.8289 -6.1457 -6.1457 -5.2331 -5.2331 -5.1075 -5.1075 -3.9153 -3.9153 -3.8158 -3.8158 -3.6830 -3.6830 -3.6333 -3.6333 0.1219 0.1219 1.0374 1.0374 1.3594 1.3594 3.5668 3.5668 3.6580 3.6580 5.9841 5.9841 6.9776 6.9776 7.8599 7.8599 8.1953 8.1953 k = 0.4383-0.2434 0.3553 ( 14323 PWs) bands (ev): -16.4746 -16.4746 -16.4474 -16.4474 -9.8269 -9.8269 -6.1388 -6.1388 -5.2361 -5.2361 -5.1109 -5.1109 -3.9128 -3.9128 -3.8225 -3.8225 -3.6879 -3.6879 -3.6355 -3.6355 0.1245 0.1245 1.0449 1.0449 1.3548 1.3548 3.5753 3.5753 3.6524 3.6524 5.9711 5.9711 7.0145 7.0145 7.8284 7.8284 8.2039 8.2039 k = 0.4439-0.2256 0.3483 ( 14325 PWs) bands (ev): -16.4756 -16.4756 -16.4466 -16.4466 -9.8249 -9.8249 -6.1320 -6.1320 -5.2392 -5.2392 -5.1145 -5.1145 -3.9102 -3.9102 -3.8290 -3.8290 -3.6936 -3.6936 -3.6367 -3.6367 0.1269 0.1269 1.0519 1.0519 1.3503 1.3503 3.5830 3.5830 3.6476 3.6476 5.9604 5.9604 7.0515 7.0515 7.7945 7.7945 8.2108 8.2108 k = 0.4495-0.2079 0.3413 ( 14321 PWs) bands (ev): -16.4766 -16.4766 -16.4458 -16.4458 -9.8231 -9.8231 -6.1252 -6.1252 -5.2423 -5.2423 -5.1180 -5.1180 -3.9078 -3.9078 -3.8350 -3.8350 -3.6998 -3.6998 -3.6369 -3.6369 0.1291 0.1291 1.0585 1.0585 1.3462 1.3462 3.5896 3.5896 3.6438 3.6438 5.9518 5.9518 7.0885 7.0885 7.7595 7.7595 8.2156 8.2156 k = 0.4551-0.1901 0.3343 ( 14330 PWs) bands (ev): -16.4775 -16.4775 -16.4451 -16.4451 -9.8213 -9.8213 -6.1188 -6.1188 -5.2453 -5.2453 -5.1214 -5.1214 -3.9056 -3.9056 -3.8403 -3.8403 -3.7063 -3.7063 -3.6365 -3.6365 0.1311 0.1311 1.0645 1.0645 1.3423 1.3423 3.5946 3.5946 3.6413 3.6413 5.9452 5.9452 7.1248 7.1248 7.7242 7.7242 8.2177 8.2177 k = 0.4607-0.1724 0.3273 ( 14329 PWs) bands (ev): -16.4783 -16.4783 -16.4444 -16.4444 -9.8197 -9.8197 -6.1127 -6.1127 -5.2483 -5.2483 -5.1246 -5.1246 -3.9038 -3.9038 -3.8447 -3.8447 -3.7129 -3.7129 -3.6357 -3.6357 0.1329 0.1329 1.0699 1.0699 1.3387 1.3387 3.5977 3.5977 3.6404 3.6404 5.9403 5.9403 7.1601 7.1601 7.6895 7.6895 8.2170 8.2170 k = 0.4663-0.1547 0.3203 ( 14325 PWs) bands (ev): -16.4791 -16.4791 -16.4438 -16.4438 -9.8183 -9.8183 -6.1071 -6.1071 -5.2511 -5.2511 -5.1275 -5.1275 -3.9024 -3.9024 -3.8481 -3.8481 -3.7192 -3.7192 -3.6347 -3.6347 0.1344 0.1344 1.0747 1.0747 1.3356 1.3356 3.5991 3.5991 3.6411 3.6411 5.9367 5.9367 7.1940 7.1940 7.6560 7.6560 8.2136 8.2136 k = 0.4720-0.1369 0.3133 ( 14315 PWs) bands (ev): -16.4797 -16.4797 -16.4433 -16.4433 -9.8170 -9.8170 -6.1021 -6.1021 -5.2537 -5.2537 -5.1300 -5.1300 -3.9016 -3.9016 -3.8504 -3.8504 -3.7251 -3.7251 -3.6337 -3.6337 0.1357 0.1357 1.0787 1.0787 1.3329 1.3329 3.5991 3.5991 3.6429 3.6429 5.9343 5.9343 7.2259 7.2259 7.6244 7.6244 8.2081 8.2081 k = 0.4776-0.1192 0.3063 ( 14315 PWs) bands (ev): -16.4802 -16.4802 -16.4429 -16.4429 -9.8160 -9.8160 -6.0979 -6.0979 -5.2559 -5.2559 -5.1321 -5.1321 -3.9013 -3.9013 -3.8518 -3.8518 -3.7303 -3.7303 -3.6328 -3.6328 0.1368 0.1368 1.0821 1.0821 1.3306 1.3306 3.5983 3.5983 3.6451 3.6451 5.9328 5.9328 7.2553 7.2553 7.5953 7.5953 8.2015 8.2015 k = 0.4832-0.1014 0.2993 ( 14328 PWs) bands (ev): -16.4806 -16.4806 -16.4426 -16.4426 -9.8151 -9.8151 -6.0945 -6.0945 -5.2578 -5.2578 -5.1339 -5.1339 -3.9013 -3.9013 -3.8523 -3.8523 -3.7347 -3.7347 -3.6320 -3.6320 0.1377 0.1377 1.0847 1.0847 1.3289 1.3289 3.5973 3.5973 3.6473 3.6473 5.9318 5.9318 7.2813 7.2813 7.5696 7.5696 8.1949 8.1949 k = 0.4888-0.0837 0.2923 ( 14327 PWs) bands (ev): -16.4809 -16.4809 -16.4423 -16.4423 -9.8145 -9.8145 -6.0920 -6.0920 -5.2592 -5.2592 -5.1351 -5.1351 -3.9016 -3.9016 -3.8524 -3.8524 -3.7380 -3.7380 -3.6313 -3.6313 0.1383 0.1383 1.0865 1.0865 1.3276 1.3276 3.5964 3.5964 3.6490 3.6490 5.9313 5.9313 7.3025 7.3025 7.5487 7.5487 8.1894 8.1894 k = 0.4944-0.0659 0.2852 ( 14316 PWs) bands (ev): -16.4811 -16.4811 -16.4422 -16.4422 -9.8141 -9.8141 -6.0904 -6.0904 -5.2600 -5.2600 -5.1358 -5.1358 -3.9018 -3.9018 -3.8523 -3.8523 -3.7400 -3.7400 -3.6310 -3.6310 0.1387 0.1387 1.0877 1.0877 1.3268 1.3268 3.5958 3.5958 3.6502 3.6502 5.9311 5.9311 7.3169 7.3169 7.5345 7.5345 8.1858 8.1858 k = 0.5000-0.0482 0.2782 ( 14310 PWs) bands (ev): -16.4812 -16.4812 -16.4421 -16.4421 -9.8140 -9.8140 -6.0899 -6.0899 -5.2603 -5.2603 -5.1361 -5.1361 -3.9018 -3.9018 -3.8523 -3.8523 -3.7407 -3.7407 -3.6308 -3.6308 0.1388 0.1388 1.0880 1.0880 1.3266 1.3266 3.5956 3.5956 3.6506 3.6506 5.9310 5.9310 7.3220 7.3220 7.5294 7.5294 8.1845 8.1845 k = 0.5000-0.0482 0.2782 ( 14310 PWs) bands (ev): -16.4812 -16.4812 -16.4421 -16.4421 -9.8140 -9.8140 -6.0899 -6.0899 -5.2603 -5.2603 -5.1361 -5.1361 -3.9018 -3.9018 -3.8523 -3.8523 -3.7407 -3.7407 -3.6308 -3.6308 0.1388 0.1388 1.0880 1.0880 1.3266 1.3266 3.5956 3.5956 3.6506 3.6506 5.9310 5.9310 7.3220 7.3220 7.5294 7.5294 8.1845 8.1845 k = 0.4919-0.0393 0.2943 ( 14314 PWs) bands (ev): -16.4811 -16.4811 -16.4421 -16.4421 -9.8141 -9.8141 -6.0897 -6.0897 -5.2607 -5.2607 -5.1361 -5.1361 -3.9031 -3.9031 -3.8519 -3.8519 -3.7408 -3.7408 -3.6302 -3.6302 0.1388 0.1388 1.0889 1.0889 1.3265 1.3265 3.5950 3.5950 3.6500 3.6500 5.9318 5.9318 7.3249 7.3249 7.5303 7.5303 8.1859 8.1859 k = 0.4839-0.0304 0.3103 ( 14318 PWs) bands (ev): -16.4810 -16.4810 -16.4421 -16.4421 -9.8145 -9.8145 -6.0890 -6.0890 -5.2620 -5.2620 -5.1362 -5.1362 -3.9066 -3.9066 -3.8509 -3.8509 -3.7410 -3.7410 -3.6285 -3.6285 0.1391 0.1391 1.0914 1.0914 1.3262 1.3262 3.5933 3.5933 3.6483 3.6483 5.9343 5.9343 7.3334 7.3334 7.5332 7.5332 8.1898 8.1898 k = 0.4758-0.0216 0.3263 ( 14320 PWs) bands (ev): -16.4809 -16.4809 -16.4420 -16.4420 -9.8150 -9.8150 -6.0879 -6.0879 -5.2640 -5.2640 -5.1363 -5.1363 -3.9121 -3.9121 -3.8498 -3.8498 -3.7410 -3.7410 -3.6257 -3.6257 0.1394 0.1394 1.0956 1.0956 1.3257 1.3257 3.5906 3.5906 3.6456 3.6456 5.9383 5.9383 7.3475 7.3475 7.5377 7.5377 8.1958 8.1958 k = 0.4677-0.0127 0.3424 ( 14314 PWs) bands (ev): -16.4807 -16.4807 -16.4419 -16.4419 -9.8158 -9.8158 -6.0863 -6.0863 -5.2668 -5.2668 -5.1365 -5.1365 -3.9189 -3.9189 -3.8491 -3.8491 -3.7407 -3.7407 -3.6221 -3.6221 0.1399 0.1399 1.1014 1.1014 1.3251 1.3251 3.5868 3.5868 3.6418 3.6418 5.9439 5.9439 7.3671 7.3671 7.5438 7.5438 8.2029 8.2029 k = 0.4597-0.0038 0.3584 ( 14308 PWs) bands (ev): -16.4804 -16.4804 -16.4417 -16.4417 -9.8167 -9.8167 -6.0844 -6.0844 -5.2702 -5.2702 -5.1367 -5.1367 -3.9269 -3.9269 -3.8491 -3.8491 -3.7398 -3.7398 -3.6178 -3.6178 0.1405 0.1405 1.1087 1.1087 1.3243 1.3243 3.5821 3.5821 3.6371 3.6371 5.9510 5.9510 7.3920 7.3920 7.5511 7.5511 8.2090 8.2090 k = 0.4516 0.0051 0.3744 ( 14318 PWs) bands (ev): -16.4801 -16.4801 -16.4415 -16.4415 -9.8179 -9.8179 -6.0820 -6.0820 -5.2743 -5.2743 -5.1372 -5.1372 -3.9358 -3.9358 -3.8499 -3.8499 -3.7382 -3.7382 -3.6131 -3.6131 0.1413 0.1413 1.1174 1.1174 1.3235 1.3235 3.5765 3.5765 3.6314 3.6314 5.9594 5.9594 7.4220 7.4220 7.5591 7.5591 8.2109 8.2109 k = 0.4435 0.0140 0.3905 ( 14316 PWs) bands (ev): -16.4797 -16.4797 -16.4413 -16.4413 -9.8192 -9.8192 -6.0792 -6.0792 -5.2789 -5.2789 -5.1377 -5.1377 -3.9454 -3.9454 -3.8516 -3.8516 -3.7359 -3.7359 -3.6081 -3.6081 0.1421 0.1421 1.1275 1.1275 1.3225 1.3225 3.5702 3.5702 3.6249 3.6249 5.9691 5.9691 7.4568 7.4568 7.5674 7.5674 8.2044 8.2044 k = 0.4355 0.0228 0.4065 ( 14318 PWs) bands (ev): -16.4793 -16.4793 -16.4411 -16.4411 -9.8208 -9.8208 -6.0760 -6.0760 -5.2840 -5.2840 -5.1385 -5.1385 -3.9556 -3.9556 -3.8541 -3.8541 -3.7328 -3.7328 -3.6029 -3.6029 0.1431 0.1431 1.1388 1.1388 1.3215 1.3215 3.5631 3.5631 3.6176 3.6176 5.9799 5.9799 7.4961 7.4961 7.5753 7.5753 8.1875 8.1875 k = 0.4274 0.0317 0.4225 ( 14332 PWs) bands (ev): -16.4789 -16.4789 -16.4408 -16.4408 -9.8224 -9.8224 -6.0725 -6.0725 -5.2895 -5.2895 -5.1394 -5.1394 -3.9663 -3.9663 -3.8572 -3.8572 -3.7292 -3.7292 -3.5977 -3.5977 0.1442 0.1442 1.1511 1.1511 1.3204 1.3204 3.5556 3.5556 3.6097 3.6097 5.9918 5.9918 7.5393 7.5393 7.5823 7.5823 8.1627 8.1627 k = 0.4194 0.0406 0.4385 ( 14320 PWs) bands (ev): -16.4784 -16.4784 -16.4405 -16.4405 -9.8242 -9.8242 -6.0687 -6.0687 -5.2953 -5.2953 -5.1406 -5.1406 -3.9775 -3.9775 -3.8607 -3.8607 -3.7252 -3.7252 -3.5924 -3.5924 0.1454 0.1454 1.1643 1.1643 1.3193 1.3193 3.5476 3.5476 3.6012 3.6012 6.0046 6.0046 7.5823 7.5823 7.5914 7.5914 8.1337 8.1337 k = 0.4113 0.0495 0.4546 ( 14332 PWs) bands (ev): -16.4779 -16.4779 -16.4402 -16.4402 -9.8262 -9.8262 -6.0646 -6.0646 -5.3013 -5.3013 -5.1419 -5.1419 -3.9890 -3.9890 -3.8644 -3.8644 -3.7210 -3.7210 -3.5872 -3.5872 0.1466 0.1466 1.1782 1.1782 1.3183 1.3183 3.5392 3.5392 3.5922 3.5922 6.0182 6.0182 7.5885 7.5885 7.6379 7.6379 8.1038 8.1038 k = 0.4032 0.0584 0.4706 ( 14328 PWs) bands (ev): -16.4773 -16.4773 -16.4399 -16.4399 -9.8282 -9.8282 -6.0603 -6.0603 -5.3076 -5.3076 -5.1434 -5.1434 -4.0007 -4.0007 -3.8683 -3.8683 -3.7166 -3.7166 -3.5821 -3.5821 0.1479 0.1479 1.1928 1.1928 1.3174 1.3174 3.5307 3.5307 3.5829 3.5829 6.0323 6.0323 7.5876 7.5876 7.6909 7.6909 8.0749 8.0749 k = 0.3952 0.0672 0.4866 ( 14328 PWs) bands (ev): -16.4767 -16.4767 -16.4396 -16.4396 -9.8303 -9.8303 -6.0557 -6.0557 -5.3139 -5.3139 -5.1451 -5.1451 -4.0125 -4.0125 -3.8723 -3.8723 -3.7123 -3.7123 -3.5770 -3.5770 0.1493 0.1493 1.2077 1.2077 1.3165 1.3165 3.5221 3.5221 3.5733 3.5733 6.0470 6.0470 7.5828 7.5828 7.7461 7.7461 8.0482 8.0482 k = 0.3871 0.0761 0.5027 ( 14328 PWs) bands (ev): -16.4762 -16.4762 -16.4393 -16.4393 -9.8325 -9.8325 -6.0510 -6.0510 -5.3203 -5.3203 -5.1469 -5.1469 -4.0243 -4.0243 -3.8761 -3.8761 -3.7081 -3.7081 -3.5721 -3.5721 0.1507 0.1507 1.2229 1.2229 1.3157 1.3157 3.5136 3.5136 3.5636 3.5636 6.0620 6.0620 7.5741 7.5741 7.8027 7.8027 8.0243 8.0243 k = 0.3790 0.0850 0.5187 ( 14338 PWs) bands (ev): -16.4756 -16.4756 -16.4389 -16.4389 -9.8347 -9.8347 -6.0461 -6.0461 -5.3267 -5.3267 -5.1489 -5.1489 -4.0361 -4.0361 -3.8799 -3.8799 -3.7042 -3.7042 -3.5673 -3.5673 0.1521 0.1521 1.2380 1.2380 1.3151 1.3151 3.5051 3.5051 3.5538 3.5538 6.0772 6.0772 7.5619 7.5619 7.8595 7.8595 8.0036 8.0036 k = 0.3710 0.0939 0.5347 ( 14348 PWs) bands (ev): -16.4750 -16.4750 -16.4386 -16.4386 -9.8369 -9.8369 -6.0411 -6.0411 -5.3331 -5.3331 -5.1509 -5.1509 -4.0478 -4.0478 -3.8834 -3.8834 -3.7005 -3.7005 -3.5626 -3.5626 0.1536 0.1536 1.2530 1.2530 1.3148 1.3148 3.4969 3.4969 3.5442 3.5442 6.0925 6.0925 7.5468 7.5468 7.9131 7.9131 7.9883 7.9883 k = 0.3629 0.1028 0.5507 ( 14342 PWs) bands (ev): -16.4744 -16.4744 -16.4382 -16.4382 -9.8391 -9.8391 -6.0362 -6.0362 -5.3393 -5.3393 -5.1530 -5.1530 -4.0591 -4.0591 -3.8868 -3.8868 -3.6971 -3.6971 -3.5581 -3.5581 0.1550 0.1550 1.2675 1.2675 1.3147 1.3147 3.4889 3.4889 3.5347 3.5347 6.1076 6.1076 7.5296 7.5296 7.9445 7.9445 7.9920 7.9920 k = 0.3548 0.1116 0.5668 ( 14342 PWs) bands (ev): -16.4738 -16.4738 -16.4379 -16.4379 -9.8412 -9.8412 -6.0312 -6.0312 -5.3454 -5.3454 -5.1551 -5.1551 -4.0702 -4.0702 -3.8900 -3.8900 -3.6941 -3.6941 -3.5538 -3.5538 0.1564 0.1564 1.2812 1.2812 1.3152 1.3152 3.4813 3.4813 3.5254 3.5254 6.1225 6.1225 7.5112 7.5112 7.9405 7.9405 7.9966 7.9966 k = 0.3468 0.1205 0.5828 ( 14340 PWs) bands (ev): -16.4732 -16.4732 -16.4376 -16.4376 -9.8434 -9.8434 -6.0263 -6.0263 -5.3513 -5.3513 -5.1571 -5.1571 -4.0808 -4.0808 -3.8930 -3.8930 -3.6914 -3.6914 -3.5496 -3.5496 0.1578 0.1578 1.2933 1.2933 1.3169 1.3169 3.4741 3.4741 3.5165 3.5165 6.1369 6.1369 7.4924 7.4924 7.9303 7.9303 7.9912 7.9912 k = 0.3387 0.1294 0.5988 ( 14342 PWs) bands (ev): -16.4727 -16.4727 -16.4372 -16.4372 -9.8454 -9.8454 -6.0215 -6.0215 -5.3570 -5.3570 -5.1592 -5.1592 -4.0908 -4.0908 -3.8958 -3.8958 -3.6890 -3.6890 -3.5456 -3.5456 0.1591 0.1591 1.3019 1.3019 1.3215 1.3215 3.4673 3.4673 3.5081 3.5081 6.1508 6.1508 7.4741 7.4741 7.9209 7.9209 7.9857 7.9857 k = 0.3306 0.1383 0.6149 ( 14344 PWs) bands (ev): -16.4721 -16.4721 -16.4369 -16.4369 -9.8473 -9.8473 -6.0169 -6.0169 -5.3624 -5.3624 -5.1611 -5.1611 -4.1003 -4.1003 -3.8983 -3.8983 -3.6870 -3.6870 -3.5418 -3.5418 0.1604 0.1604 1.3061 1.3061 1.3299 1.3299 3.4611 3.4611 3.5002 3.5002 6.1640 6.1640 7.4567 7.4567 7.9131 7.9131 7.9806 7.9806 k = 0.3226 0.1471 0.6309 ( 14346 PWs) bands (ev): -16.4716 -16.4716 -16.4367 -16.4367 -9.8492 -9.8492 -6.0126 -6.0126 -5.3674 -5.3674 -5.1629 -5.1629 -4.1091 -4.1091 -3.9006 -3.9006 -3.6853 -3.6853 -3.5383 -3.5383 0.1616 0.1616 1.3078 1.3078 1.3399 1.3399 3.4553 3.4553 3.4928 3.4928 6.1762 6.1762 7.4406 7.4406 7.9071 7.9071 7.9759 7.9759 k = 0.3145 0.1560 0.6469 ( 14342 PWs) bands (ev): -16.4712 -16.4712 -16.4364 -16.4364 -9.8509 -9.8509 -6.0085 -6.0085 -5.3720 -5.3720 -5.1647 -5.1647 -4.1172 -4.1172 -3.9027 -3.9027 -3.6838 -3.6838 -3.5351 -3.5351 0.1627 0.1627 1.3086 1.3086 1.3499 1.3499 3.4501 3.4501 3.4861 3.4861 6.1875 6.1875 7.4262 7.4262 7.9028 7.9028 7.9714 7.9714 k = 0.3065 0.1649 0.6630 ( 14346 PWs) bands (ev): -16.4708 -16.4708 -16.4362 -16.4362 -9.8524 -9.8524 -6.0048 -6.0048 -5.3762 -5.3762 -5.1662 -5.1662 -4.1244 -4.1244 -3.9046 -3.9046 -3.6827 -3.6827 -3.5321 -3.5321 0.1637 0.1637 1.3090 1.3090 1.3592 1.3592 3.4455 3.4455 3.4801 3.4801 6.1977 6.1977 7.4136 7.4136 7.9001 7.9001 7.9673 7.9673 k = 0.2984 0.1738 0.6790 ( 14362 PWs) bands (ev): -16.4704 -16.4704 -16.4360 -16.4360 -9.8538 -9.8538 -6.0014 -6.0014 -5.3799 -5.3799 -5.1676 -5.1676 -4.1309 -4.1309 -3.9062 -3.9062 -3.6817 -3.6817 -3.5295 -3.5295 0.1646 0.1646 1.3094 1.3094 1.3675 1.3675 3.4414 3.4414 3.4748 3.4748 6.2067 6.2067 7.4028 7.4028 7.8985 7.8985 7.9634 7.9634 k = 0.2903 0.1827 0.6950 ( 14358 PWs) bands (ev): -16.4701 -16.4701 -16.4358 -16.4358 -9.8549 -9.8549 -5.9985 -5.9985 -5.3832 -5.3832 -5.1688 -5.1688 -4.1364 -4.1364 -3.9075 -3.9075 -3.6809 -3.6809 -3.5273 -3.5273 0.1654 0.1654 1.3096 1.3096 1.3746 1.3746 3.4380 3.4380 3.4703 3.4703 6.2144 6.2144 7.3939 7.3939 7.8980 7.8980 7.9600 7.9600 k = 0.2823 0.1915 0.7110 ( 14354 PWs) bands (ev): -16.4698 -16.4698 -16.4356 -16.4356 -9.8559 -9.8559 -5.9960 -5.9960 -5.3859 -5.3859 -5.1698 -5.1698 -4.1409 -4.1409 -3.9086 -3.9086 -3.6804 -3.6804 -3.5254 -3.5254 0.1660 0.1660 1.3098 1.3098 1.3806 1.3806 3.4351 3.4351 3.4666 3.4666 6.2207 6.2207 7.3868 7.3868 7.8981 7.8981 7.9570 7.9570 k = 0.2742 0.2004 0.7271 ( 14364 PWs) bands (ev): -16.4696 -16.4696 -16.4355 -16.4355 -9.8567 -9.8567 -5.9941 -5.9941 -5.3880 -5.3880 -5.1706 -5.1706 -4.1445 -4.1445 -3.9095 -3.9095 -3.6799 -3.6799 -3.5239 -3.5239 0.1665 0.1665 1.3099 1.3099 1.3853 1.3853 3.4329 3.4329 3.4637 3.4637 6.2257 6.2257 7.3814 7.3814 7.8985 7.8985 7.9546 7.9546 k = 0.2661 0.2093 0.7431 ( 14358 PWs) bands (ev): -16.4695 -16.4695 -16.4354 -16.4354 -9.8573 -9.8573 -5.9927 -5.9927 -5.3895 -5.3895 -5.1711 -5.1711 -4.1471 -4.1471 -3.9101 -3.9101 -3.6797 -3.6797 -3.5229 -3.5229 0.1669 0.1669 1.3100 1.3100 1.3887 1.3887 3.4313 3.4313 3.4616 3.4616 6.2293 6.2293 7.3776 7.3776 7.8991 7.8991 7.9528 7.9528 k = 0.2581 0.2182 0.7591 ( 14362 PWs) bands (ev): -16.4694 -16.4694 -16.4354 -16.4354 -9.8576 -9.8576 -5.9918 -5.9918 -5.3904 -5.3904 -5.1715 -5.1715 -4.1487 -4.1487 -3.9105 -3.9105 -3.6795 -3.6795 -3.5222 -3.5222 0.1671 0.1671 1.3101 1.3101 1.3907 1.3907 3.4304 3.4304 3.4604 3.4604 6.2314 6.2314 7.3754 7.3754 7.8995 7.8995 7.9517 7.9517 k = 0.2500 0.2271 0.7752 ( 14356 PWs) bands (ev): -16.4693 -16.4693 -16.4353 -16.4353 -9.8577 -9.8577 -5.9915 -5.9915 -5.3907 -5.3907 -5.1716 -5.1716 -4.1492 -4.1492 -3.9106 -3.9106 -3.6794 -3.6794 -3.5220 -3.5220 0.1672 0.1672 1.3101 1.3101 1.3914 1.3914 3.4300 3.4300 3.4600 3.4600 6.2321 6.2321 7.3747 7.3747 7.8997 7.8997 7.9513 7.9513 k = 0.2062-0.2271 0.7752 ( 14332 PWs) bands (ev): -16.4585 -16.4585 -16.4488 -16.4488 -9.8629 -9.8629 -6.0648 -6.0648 -5.3096 -5.3096 -5.1368 -5.1368 -4.0663 -4.0663 -3.8641 -3.8641 -3.6894 -3.6894 -3.5999 -3.5999 0.0971 0.0971 1.3081 1.3081 1.3872 1.3872 3.4161 3.4161 3.5293 3.5293 6.4669 6.4669 6.8612 6.8612 7.6443 7.6443 8.4379 8.4379 k = 0.2142-0.2359 0.7593 ( 14340 PWs) bands (ev): -16.4574 -16.4574 -16.4505 -16.4505 -9.8624 -9.8624 -6.0739 -6.0739 -5.3033 -5.3033 -5.1339 -5.1339 -4.0561 -4.0561 -3.8646 -3.8646 -3.6803 -3.6803 -3.6020 -3.6020 0.0973 0.0973 1.2917 1.2917 1.3877 1.3877 3.4164 3.4164 3.5380 3.5380 6.4558 6.4558 6.8594 6.8594 7.6216 7.6216 8.4664 8.4664 k = 0.2222-0.2447 0.7434 ( 14338 PWs) bands (ev): -16.4564 -16.4564 -16.4522 -16.4522 -9.8618 -9.8618 -6.0829 -6.0829 -5.2968 -5.2968 -5.1310 -5.1310 -4.0456 -4.0456 -3.8646 -3.8646 -3.6716 -3.6716 -3.6040 -3.6040 0.0974 0.0974 1.2739 1.2739 1.3884 1.3884 3.4176 3.4176 3.5472 3.5472 6.4440 6.4440 6.8574 6.8574 7.6029 7.6029 8.4908 8.4908 k = 0.2302-0.2535 0.7275 ( 14325 PWs) bands (ev): -16.4555 -16.4555 -16.4538 -16.4538 -9.8610 -9.8610 -6.0919 -6.0919 -5.2903 -5.2903 -5.1280 -5.1280 -4.0349 -4.0349 -3.8641 -3.8641 -3.6635 -3.6635 -3.6059 -3.6059 0.0974 0.0974 1.2549 1.2549 1.3892 1.3892 3.4195 3.4195 3.5570 3.5570 6.4315 6.4315 6.8550 6.8550 7.5882 7.5882 8.4924 8.4924 k = 0.2382-0.2623 0.7116 ( 14313 PWs) bands (ev): -16.4554 -16.4554 -16.4546 -16.4546 -9.8602 -9.8602 -6.1009 -6.1009 -5.2837 -5.2837 -5.1250 -5.1250 -4.0242 -4.0242 -3.8630 -3.8630 -3.6561 -3.6561 -3.6076 -3.6076 0.0974 0.0974 1.2350 1.2350 1.3899 1.3899 3.4222 3.4222 3.5672 3.5672 6.4183 6.4183 6.8520 6.8520 7.5777 7.5777 8.4551 8.4551 k = 0.2462-0.2711 0.6957 ( 14320 PWs) bands (ev): -16.4570 -16.4570 -16.4539 -16.4539 -9.8592 -9.8592 -6.1096 -6.1096 -5.2771 -5.2771 -5.1221 -5.1221 -4.0137 -4.0137 -3.8613 -3.8613 -3.6496 -3.6496 -3.6088 -3.6088 0.0972 0.0972 1.2145 1.2145 1.3906 1.3906 3.4256 3.4256 3.5778 3.5778 6.4046 6.4046 6.8482 6.8482 7.5714 7.5714 8.4153 8.4153 k = 0.2542-0.2799 0.6798 ( 14319 PWs) bands (ev): -16.4585 -16.4585 -16.4532 -16.4532 -9.8581 -9.8581 -6.1181 -6.1181 -5.2706 -5.2706 -5.1192 -5.1192 -4.0035 -4.0035 -3.8589 -3.8589 -3.6443 -3.6443 -3.6093 -3.6093 0.0971 0.0971 1.1935 1.1935 1.3912 1.3912 3.4295 3.4295 3.5886 3.5886 6.3903 6.3903 6.8434 6.8434 7.5692 7.5692 8.3771 8.3771 k = 0.2622-0.2887 0.6639 ( 14330 PWs) bands (ev): -16.4600 -16.4600 -16.4525 -16.4525 -9.8570 -9.8570 -6.1264 -6.1264 -5.2642 -5.2642 -5.1164 -5.1164 -3.9937 -3.9937 -3.8558 -3.8558 -3.6405 -3.6405 -3.6088 -3.6088 0.0969 0.0969 1.1723 1.1723 1.3917 1.3917 3.4339 3.4339 3.5997 3.5997 6.3755 6.3755 6.8376 6.8376 7.5711 7.5711 8.3409 8.3409 k = 0.2702-0.2975 0.6480 ( 14324 PWs) bands (ev): -16.4614 -16.4614 -16.4519 -16.4519 -9.8558 -9.8558 -6.1343 -6.1343 -5.2579 -5.2579 -5.1136 -5.1136 -3.9845 -3.9845 -3.8521 -3.8521 -3.6384 -3.6384 -3.6072 -3.6072 0.0966 0.0966 1.1511 1.1511 1.3922 1.3922 3.4387 3.4387 3.6108 3.6108 6.3604 6.3604 6.8306 6.8306 7.5770 7.5770 8.3068 8.3068 k = 0.2782-0.3063 0.6321 ( 14334 PWs) bands (ev): -16.4627 -16.4627 -16.4514 -16.4514 -9.8546 -9.8546 -6.1419 -6.1419 -5.2518 -5.2518 -5.1109 -5.1109 -3.9760 -3.9760 -3.8475 -3.8475 -3.6378 -3.6378 -3.6045 -3.6045 0.0964 0.0964 1.1302 1.1302 1.3927 1.3927 3.4437 3.4437 3.6219 3.6219 6.3451 6.3451 6.8226 6.8226 7.5866 7.5866 8.2749 8.2749 k = 0.2862-0.3151 0.6162 ( 14327 PWs) bands (ev): -16.4640 -16.4640 -16.4509 -16.4509 -9.8534 -9.8534 -6.1491 -6.1491 -5.2460 -5.2460 -5.1084 -5.1084 -3.9684 -3.9684 -3.8423 -3.8423 -3.6384 -3.6384 -3.6011 -3.6011 0.0961 0.0961 1.1096 1.1096 1.3931 1.3931 3.4489 3.4489 3.6329 3.6329 6.3298 6.3298 6.8137 6.8137 7.5998 7.5998 8.2452 8.2452 k = 0.2942-0.3239 0.6003 ( 14328 PWs) bands (ev): -16.4651 -16.4651 -16.4505 -16.4505 -9.8523 -9.8523 -6.1558 -6.1558 -5.2404 -5.2404 -5.1059 -5.1059 -3.9618 -3.9618 -3.8364 -3.8364 -3.6397 -3.6397 -3.5976 -3.5976 0.0958 0.0958 1.0898 1.0898 1.3935 1.3935 3.4542 3.4542 3.6436 3.6436 6.3145 6.3145 6.8041 6.8041 7.6163 7.6163 8.2174 8.2174 k = 0.3022-0.3327 0.5844 ( 14318 PWs) bands (ev): -16.4662 -16.4662 -16.4501 -16.4501 -9.8511 -9.8511 -6.1621 -6.1621 -5.2352 -5.2352 -5.1036 -5.1036 -3.9560 -3.9560 -3.8299 -3.8299 -3.6415 -3.6415 -3.5940 -3.5940 0.0955 0.0955 1.0708 1.0708 1.3939 1.3939 3.4595 3.4595 3.6539 3.6539 6.2996 6.2996 6.7939 6.7939 7.6357 7.6357 8.1915 8.1915 k = 0.3102-0.3416 0.5685 ( 14310 PWs) bands (ev): -16.4672 -16.4672 -16.4498 -16.4498 -9.8500 -9.8500 -6.1679 -6.1679 -5.2303 -5.2303 -5.1015 -5.1015 -3.9511 -3.9511 -3.8231 -3.8231 -3.6435 -3.6435 -3.5907 -3.5907 0.0952 0.0952 1.0529 1.0529 1.3944 1.3944 3.4646 3.4646 3.6637 3.6637 6.2851 6.2851 6.7836 6.7836 7.6577 7.6577 8.1674 8.1674 k = 0.3182-0.3504 0.5526 ( 14307 PWs) bands (ev): -16.4681 -16.4681 -16.4495 -16.4495 -9.8490 -9.8490 -6.1731 -6.1731 -5.2258 -5.2258 -5.0995 -5.0995 -3.9470 -3.9470 -3.8162 -3.8162 -3.6456 -3.6456 -3.5877 -3.5877 0.0950 0.0950 1.0363 1.0363 1.3947 1.3947 3.4695 3.4695 3.6729 3.6729 6.2713 6.2713 6.7734 6.7734 7.6817 7.6817 8.1449 8.1449 k = 0.3262-0.3592 0.5367 ( 14309 PWs) bands (ev): -16.4690 -16.4690 -16.4493 -16.4493 -9.8481 -9.8481 -6.1778 -6.1778 -5.2218 -5.2218 -5.0978 -5.0978 -3.9437 -3.9437 -3.8093 -3.8093 -3.6478 -3.6478 -3.5850 -3.5850 0.0947 0.0947 1.0212 1.0212 1.3951 1.3951 3.4741 3.4741 3.6813 3.6813 6.2585 6.2585 6.7637 6.7637 7.7073 7.7073 8.1238 8.1238 k = 0.3342-0.3680 0.5208 ( 14310 PWs) bands (ev): -16.4697 -16.4697 -16.4491 -16.4491 -9.8472 -9.8472 -6.1819 -6.1819 -5.2182 -5.2182 -5.0962 -5.0962 -3.9410 -3.9410 -3.8027 -3.8027 -3.6499 -3.6499 -3.5827 -3.5827 0.0945 0.0945 1.0077 1.0077 1.3955 1.3955 3.4783 3.4783 3.6888 3.6888 6.2468 6.2468 6.7546 6.7546 7.7336 7.7336 8.1040 8.1040 k = 0.3422-0.3768 0.5049 ( 14308 PWs) bands (ev): -16.4703 -16.4703 -16.4489 -16.4489 -9.8465 -9.8465 -6.1854 -6.1854 -5.2151 -5.2151 -5.0948 -5.0948 -3.9389 -3.9389 -3.7966 -3.7966 -3.6519 -3.6519 -3.5807 -3.5807 0.0943 0.0943 0.9960 0.9960 1.3958 1.3958 3.4819 3.4819 3.6954 3.6954 6.2365 6.2365 6.7465 6.7465 7.7599 7.7599 8.0855 8.0855 k = 0.3502-0.3856 0.4890 ( 14313 PWs) bands (ev): -16.4708 -16.4708 -16.4488 -16.4488 -9.8459 -9.8459 -6.1883 -6.1883 -5.2126 -5.2126 -5.0937 -5.0937 -3.9373 -3.9373 -3.7912 -3.7912 -3.6537 -3.6537 -3.5792 -3.5792 0.0941 0.0941 0.9862 0.9862 1.3961 1.3961 3.4850 3.4850 3.7009 3.7009 6.2278 6.2278 6.7396 6.7396 7.7851 7.7851 8.0683 8.0683 k = 0.3582-0.3944 0.4731 ( 14308 PWs) bands (ev): -16.4712 -16.4712 -16.4487 -16.4487 -9.8454 -9.8454 -6.1906 -6.1906 -5.2106 -5.2106 -5.0928 -5.0928 -3.9360 -3.9360 -3.7868 -3.7868 -3.6552 -3.6552 -3.5780 -3.5780 0.0940 0.0940 0.9785 0.9785 1.3963 1.3963 3.4875 3.4875 3.7053 3.7053 6.2208 6.2208 6.7341 6.7341 7.8081 7.8081 8.0529 8.0529 k = 0.3662-0.4032 0.4572 ( 14297 PWs) bands (ev): -16.4715 -16.4715 -16.4486 -16.4486 -9.8450 -9.8450 -6.1922 -6.1922 -5.2092 -5.2092 -5.0922 -5.0922 -3.9352 -3.9352 -3.7834 -3.7834 -3.6563 -3.6563 -3.5771 -3.5771 0.0939 0.0939 0.9729 0.9729 1.3965 1.3965 3.4893 3.4893 3.7085 3.7085 6.2156 6.2156 6.7300 6.7300 7.8270 7.8270 8.0400 8.0400 k = 0.3742-0.4120 0.4413 ( 14302 PWs) bands (ev): -16.4716 -16.4716 -16.4485 -16.4485 -9.8448 -9.8448 -6.1932 -6.1932 -5.2083 -5.2083 -5.0918 -5.0918 -3.9347 -3.9347 -3.7814 -3.7814 -3.6571 -3.6571 -3.5766 -3.5766 0.0939 0.0939 0.9695 0.9695 1.3966 1.3966 3.4904 3.4904 3.7104 3.7104 6.2125 6.2125 6.7276 6.7276 7.8399 7.8399 8.0311 8.0311 k = 0.3822-0.4208 0.4254 ( 14301 PWs) bands (ev): -16.4717 -16.4717 -16.4485 -16.4485 -9.8447 -9.8447 -6.1935 -6.1935 -5.2080 -5.2080 -5.0917 -5.0917 -3.9346 -3.9346 -3.7807 -3.7807 -3.6573 -3.6573 -3.5764 -3.5764 0.0939 0.0939 0.9684 0.9684 1.3967 1.3967 3.4908 3.4908 3.7111 3.7111 6.2115 6.2115 6.7267 6.7267 7.8445 7.8445 8.0278 8.0278 k = 0.6178 0.3244 0.1311 ( 14301 PWs) bands (ev): -16.4717 -16.4717 -16.4485 -16.4485 -9.8447 -9.8447 -6.1935 -6.1935 -5.2080 -5.2080 -5.0917 -5.0917 -3.9346 -3.9346 -3.7807 -3.7807 -3.6573 -3.6573 -3.5764 -3.5764 0.0939 0.0939 0.9684 0.9684 1.3967 1.3967 3.4908 3.4908 3.7111 3.7111 6.2115 6.2115 6.7267 6.7267 7.8445 7.8445 8.0278 8.0278 k = 0.6071 0.3362 0.1192 ( 14307 PWs) bands (ev): -16.4736 -16.4736 -16.4464 -16.4464 -9.8466 -9.8466 -6.1981 -6.1981 -5.2034 -5.2034 -5.0929 -5.0929 -3.9375 -3.9375 -3.7803 -3.7803 -3.6535 -3.6535 -3.5648 -3.5648 0.0884 0.0884 0.9583 0.9583 1.4008 1.4008 3.4815 3.4815 3.7185 3.7185 6.2673 6.2673 6.7074 6.7074 7.7871 7.7871 7.9820 7.9820 k = 0.5964 0.3480 0.1073 ( 14287 PWs) bands (ev): -16.4753 -16.4753 -16.4445 -16.4445 -9.8483 -9.8483 -6.2024 -6.2024 -5.1983 -5.1983 -5.0950 -5.0950 -3.9398 -3.9398 -3.7801 -3.7801 -3.6502 -3.6502 -3.5537 -3.5537 0.0831 0.0831 0.9487 0.9487 1.4046 1.4046 3.4732 3.4732 3.7255 3.7255 6.3176 6.3176 6.6979 6.6979 7.7347 7.7347 7.9401 7.9401 k = 0.5857 0.3598 0.0953 ( 14300 PWs) bands (ev): -16.4769 -16.4769 -16.4428 -16.4428 -9.8498 -9.8498 -6.2062 -6.2062 -5.1929 -5.1929 -5.0978 -5.0978 -3.9416 -3.9416 -3.7801 -3.7801 -3.6475 -3.6475 -3.5434 -3.5434 0.0781 0.0781 0.9399 0.9399 1.4080 1.4080 3.4657 3.4657 3.7320 3.7320 6.3584 6.3584 6.7016 6.7016 7.6873 7.6873 7.9024 7.9024 k = 0.5750 0.3716 0.0834 ( 14296 PWs) bands (ev): -16.4783 -16.4783 -16.4412 -16.4412 -9.8512 -9.8512 -6.2095 -6.2095 -5.1871 -5.1871 -5.1013 -5.1013 -3.9430 -3.9430 -3.7802 -3.7802 -3.6451 -3.6451 -3.5340 -3.5340 0.0735 0.0735 0.9318 0.9318 1.4110 1.4110 3.4591 3.4591 3.7379 3.7379 6.3863 6.3863 6.7207 6.7207 7.6452 7.6452 7.8690 7.8690 k = 0.5643 0.3834 0.0715 ( 14300 PWs) bands (ev): -16.4795 -16.4795 -16.4399 -16.4399 -9.8524 -9.8524 -6.2125 -6.2125 -5.1811 -5.1811 -5.1054 -5.1054 -3.9440 -3.9440 -3.7804 -3.7804 -3.6432 -3.6432 -3.5257 -3.5257 0.0694 0.0694 0.9245 0.9245 1.4137 1.4137 3.4534 3.4534 3.7433 3.7433 6.4015 6.4015 6.7539 6.7539 7.6085 7.6085 7.8399 7.8399 k = 0.5535 0.3952 0.0596 ( 14288 PWs) bands (ev): -16.4805 -16.4805 -16.4387 -16.4387 -9.8535 -9.8535 -6.2150 -6.2150 -5.1748 -5.1748 -5.1101 -5.1101 -3.9447 -3.9447 -3.7806 -3.7806 -3.6415 -3.6415 -3.5184 -3.5184 0.0657 0.0657 0.9182 0.9182 1.4159 1.4159 3.4486 3.4486 3.7479 3.7479 6.4072 6.4072 6.7964 6.7964 7.5773 7.5773 7.8152 7.8152 k = 0.5428 0.4070 0.0477 ( 14274 PWs) bands (ev): -16.4814 -16.4814 -16.4377 -16.4377 -9.8544 -9.8544 -6.2170 -6.2170 -5.1684 -5.1684 -5.1153 -5.1153 -3.9452 -3.9452 -3.7809 -3.7809 -3.6403 -3.6403 -3.5124 -3.5124 0.0626 0.0626 0.9129 0.9129 1.4177 1.4177 3.4447 3.4447 3.7518 3.7518 6.4075 6.4075 6.8421 6.8421 7.5517 7.5517 7.7949 7.7949 k = 0.5321 0.4188 0.0358 ( 14270 PWs) bands (ev): -16.4821 -16.4821 -16.4370 -16.4370 -9.8550 -9.8550 -6.2186 -6.2186 -5.1618 -5.1618 -5.1209 -5.1209 -3.9455 -3.9455 -3.7811 -3.7811 -3.6393 -3.6393 -3.5077 -3.5077 0.0602 0.0602 0.9087 0.9087 1.4191 1.4191 3.4416 3.4416 3.7549 3.7549 6.4054 6.4054 6.8852 6.8852 7.5317 7.5317 7.7791 7.7791 k = 0.5214 0.4305 0.0238 ( 14262 PWs) bands (ev): -16.4826 -16.4826 -16.4365 -16.4365 -9.8555 -9.8555 -6.2198 -6.2198 -5.1554 -5.1554 -5.1266 -5.1266 -3.9457 -3.9457 -3.7813 -3.7813 -3.6386 -3.6386 -3.5042 -3.5042 0.0584 0.0584 0.9057 0.9057 1.4201 1.4201 3.4394 3.4394 3.7571 3.7571 6.4029 6.4029 6.9207 6.9207 7.5174 7.5174 7.7679 7.7679 k = 0.5107 0.4423 0.0119 ( 14266 PWs) bands (ev): -16.4828 -16.4828 -16.4361 -16.4361 -9.8558 -9.8558 -6.2204 -6.2204 -5.1496 -5.1496 -5.1321 -5.1321 -3.9458 -3.9458 -3.7814 -3.7814 -3.6382 -3.6382 -3.5022 -3.5022 0.0574 0.0574 0.9039 0.9039 1.4207 1.4207 3.4381 3.4381 3.7585 3.7585 6.4010 6.4010 6.9442 6.9442 7.5088 7.5088 7.7612 7.7612 k = 0.5000 0.4541 0.0000 ( 14286 PWs) bands (ev): -16.4829 -16.4829 -16.4360 -16.4360 -9.8559 -9.8559 -6.2207 -6.2207 -5.1464 -5.1464 -5.1351 -5.1351 -3.9459 -3.9459 -3.7814 -3.7814 -3.6380 -3.6380 -3.5015 -3.5015 0.0570 0.0570 0.9033 0.9033 1.4209 1.4209 3.4377 3.4377 3.7589 3.7589 6.4003 6.4003 6.9525 6.9525 7.5060 7.5060 7.7590 7.7590 Writing output data file CsS.save init_run : 0.52s CPU 0.84s WALL ( 1 calls) electrons : 323.33s CPU 327.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 323.33s CPU 327.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.24s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.28s WALL ( 312 calls) cegterg : 296.60s CPU 298.56s WALL ( 662 calls) Called by sum_band: Called by *egterg: h_psi : 212.50s CPU 213.78s WALL ( 11257 calls) s_psi : 10.84s CPU 10.97s WALL ( 11257 calls) g_psi : 0.64s CPU 0.69s WALL ( 10283 calls) cdiaghg : 47.18s CPU 47.79s WALL ( 10595 calls) cegterg:over : 12.86s CPU 12.92s WALL ( 10283 calls) cegterg:upda : 15.98s CPU 16.17s WALL ( 10283 calls) cegterg:last : 6.01s CPU 6.09s WALL ( 1589 calls) cdiaghg:chol : 2.96s CPU 2.90s WALL ( 10595 calls) cdiaghg:inve : 1.33s CPU 1.38s WALL ( 10595 calls) cdiaghg:para : 2.64s CPU 2.83s WALL ( 21190 calls) Called by h_psi: h_psi:vloc : 181.40s CPU 182.65s WALL ( 11257 calls) h_psi:vnl : 30.53s CPU 30.43s WALL ( 11257 calls) add_vuspsi : 17.39s CPU 17.17s WALL ( 11257 calls) General routines calbec : 13.08s CPU 13.23s WALL ( 11257 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 171.55s CPU 172.87s WALL ( 680072 calls) davcio : 0.28s CPU 0.49s WALL ( 624 calls) Parallel routines fft_scatter : 57.18s CPU 57.40s WALL ( 680087 calls) PWSCF : 5m49.28s CPU 6m13.52s WALL This run was terminated on: 17:37: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=