Program PWSCF v.5.1.1 starts on 23Jul2015 at 13:13:49 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./CO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 25 7 804 345 58 Max 44 26 8 806 362 60 Sum 1403 801 239 25769 11237 1881 bravais-lattice index = 14 lattice parameter (alat) = 7.3702 a.u. unit-cell volume = 257.8839 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.370208 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.575415 celldm(5)= -0.575415 celldm(6)= 0.150831 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.150831 0.988560 0.000000 ) a(3) = ( -0.575415 -0.494280 0.651602 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.152576 0.767340 ) b(2) = ( 0.000000 1.011573 0.767340 ) b(3) = ( 0.000000 0.000000 1.534680 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 444 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0000000 0.0000000 0.0123765), wk = 0.0022523 k( 3) = ( 0.0000000 0.0000000 0.0247529), wk = 0.0022523 k( 4) = ( 0.0000000 0.0000000 0.0371294), wk = 0.0022523 k( 5) = ( 0.0000000 0.0000000 0.0495058), wk = 0.0022523 k( 6) = ( 0.0000000 0.0000000 0.0618823), wk = 0.0022523 k( 7) = ( 0.0000000 0.0000000 0.0742587), wk = 0.0022523 k( 8) = ( 0.0000000 0.0000000 0.0866352), wk = 0.0022523 k( 9) = ( 0.0000000 0.0000000 0.0990116), wk = 0.0022523 k( 10) = ( 0.0000000 0.0000000 0.1113881), wk = 0.0022523 k( 11) = ( 0.0000000 0.0000000 0.1237645), wk = 0.0022523 k( 12) = ( 0.0000000 0.0000000 0.1361410), wk = 0.0022523 k( 13) = ( 0.0000000 0.0000000 0.1485174), wk = 0.0022523 k( 14) = ( 0.0000000 0.0000000 0.1608939), wk = 0.0022523 k( 15) = ( 0.0000000 0.0000000 0.1732703), wk = 0.0022523 k( 16) = ( 0.0000000 0.0000000 0.1856468), wk = 0.0022523 k( 17) = ( 0.0000000 0.0000000 0.1980232), wk = 0.0022523 k( 18) = ( 0.0000000 0.0000000 0.2103997), wk = 0.0022523 k( 19) = ( 0.0000000 0.0000000 0.2227761), wk = 0.0022523 k( 20) = ( 0.0000000 0.0000000 0.2351526), wk = 0.0022523 k( 21) = ( 0.0000000 0.0000000 0.2475290), wk = 0.0022523 k( 22) = ( 0.0000000 0.0000000 0.2599055), wk = 0.0022523 k( 23) = ( 0.0000000 0.0000000 0.2722819), wk = 0.0022523 k( 24) = ( 0.0000000 0.0000000 0.2846584), wk = 0.0022523 k( 25) = ( 0.0000000 0.0000000 0.2970348), wk = 0.0022523 k( 26) = ( 0.0000000 0.0000000 0.3094113), wk = 0.0022523 k( 27) = ( 0.0000000 0.0000000 0.3217877), wk = 0.0022523 k( 28) = ( 0.0000000 0.0000000 0.3341642), wk = 0.0022523 k( 29) = ( 0.0000000 0.0000000 0.3465406), wk = 0.0022523 k( 30) = ( 0.0000000 0.0000000 0.3589171), wk = 0.0022523 k( 31) = ( 0.0000000 0.0000000 0.3712935), wk = 0.0022523 k( 32) = ( 0.0000000 0.0000000 0.3836700), wk = 0.0022523 k( 33) = ( 0.0000000 0.0000000 0.3960464), wk = 0.0022523 k( 34) = ( 0.0000000 0.0000000 0.4084229), wk = 0.0022523 k( 35) = ( 0.0000000 0.0000000 0.4207993), wk = 0.0022523 k( 36) = ( 0.0000000 0.0000000 0.4331758), wk = 0.0022523 k( 37) = ( 0.0000000 0.0000000 0.4455522), wk = 0.0022523 k( 38) = ( 0.0000000 0.0000000 0.4579287), wk = 0.0022523 k( 39) = ( 0.0000000 0.0000000 0.4703051), wk = 0.0022523 k( 40) = ( 0.0000000 0.0000000 0.4826816), wk = 0.0022523 k( 41) = ( 0.0000000 0.0000000 0.4950580), wk = 0.0022523 k( 42) = ( 0.0000000 0.0000000 0.5074345), wk = 0.0022523 k( 43) = ( 0.0000000 0.0000000 0.5198109), wk = 0.0022523 k( 44) = ( 0.0000000 0.0000000 0.5321874), wk = 0.0022523 k( 45) = ( 0.0000000 0.0000000 0.5445638), wk = 0.0022523 k( 46) = ( 0.0000000 0.0000000 0.5569403), wk = 0.0022523 k( 47) = ( 0.0000000 0.0000000 0.5693167), wk = 0.0022523 k( 48) = ( 0.0000000 0.0000000 0.5816932), wk = 0.0022523 k( 49) = ( 0.0000000 0.0000000 0.5940696), wk = 0.0022523 k( 50) = ( 0.0000000 0.0000000 0.6064461), wk = 0.0022523 k( 51) = ( 0.0000000 0.0000000 0.6188226), wk = 0.0022523 k( 52) = ( 0.0000000 0.0000000 0.6311990), wk = 0.0022523 k( 53) = ( 0.0000000 0.0000000 0.6435755), wk = 0.0022523 k( 54) = ( 0.0000000 0.0000000 0.6559519), wk = 0.0022523 k( 55) = ( 0.0000000 0.0000000 0.6683284), wk = 0.0022523 k( 56) = ( 0.0000000 0.0000000 0.6807048), wk = 0.0022523 k( 57) = ( 0.0000000 0.0000000 0.6930812), wk = 0.0022523 k( 58) = ( 0.0000000 0.0000000 0.7054577), wk = 0.0022523 k( 59) = ( 0.0000000 0.0000000 0.7178342), wk = 0.0022523 k( 60) = ( 0.0000000 0.0000000 0.7302106), wk = 0.0022523 k( 61) = ( 0.0000000 0.0000000 0.7425871), wk = 0.0022523 k( 62) = ( 0.0000000 0.0000000 0.7549635), wk = 0.0022523 k( 63) = ( 0.0000000 0.0000000 0.7673400), wk = 0.0022523 k( 64) = ( 0.0000000 0.0000000 0.7673400), wk = 0.0022523 k( 65) = ( -0.0080204 0.0093369 0.7673400), wk = 0.0022523 k( 66) = ( -0.0160408 0.0186738 0.7673400), wk = 0.0022523 k( 67) = ( -0.0240611 0.0280108 0.7673400), wk = 0.0022523 k( 68) = ( -0.0320815 0.0373477 0.7673400), wk = 0.0022523 k( 69) = ( -0.0401019 0.0466846 0.7673400), wk = 0.0022523 k( 70) = ( -0.0481223 0.0560215 0.7673400), wk = 0.0022523 k( 71) = ( -0.0561427 0.0653584 0.7673400), wk = 0.0022523 k( 72) = ( -0.0641631 0.0746954 0.7673400), wk = 0.0022523 k( 73) = ( -0.0721835 0.0840323 0.7673400), wk = 0.0022523 k( 74) = ( -0.0802038 0.0933692 0.7673400), wk = 0.0022523 k( 75) = ( -0.0882242 0.1027061 0.7673400), wk = 0.0022523 k( 76) = ( -0.0962446 0.1120430 0.7673400), wk = 0.0022523 k( 77) = ( -0.1042650 0.1213800 0.7673400), wk = 0.0022523 k( 78) = ( -0.1122854 0.1307169 0.7673400), wk = 0.0022523 k( 79) = ( -0.1203058 0.1400538 0.7673400), wk = 0.0022523 k( 80) = ( -0.1283261 0.1493907 0.7673400), wk = 0.0022523 k( 81) = ( -0.1363465 0.1587277 0.7673400), wk = 0.0022523 k( 82) = ( -0.1443669 0.1680646 0.7673400), wk = 0.0022523 k( 83) = ( -0.1523873 0.1774015 0.7673400), wk = 0.0022523 k( 84) = ( -0.1604077 0.1867384 0.7673400), wk = 0.0022523 k( 85) = ( -0.1684281 0.1960753 0.7673400), wk = 0.0022523 k( 86) = ( -0.1764485 0.2054123 0.7673400), wk = 0.0022523 k( 87) = ( -0.1844688 0.2147492 0.7673400), wk = 0.0022523 k( 88) = ( -0.1844688 0.2147492 0.7673400), wk = 0.0022523 k( 89) = ( -0.1901033 0.2213086 0.7586928), wk = 0.0022523 k( 90) = ( -0.1957378 0.2278679 0.7500457), wk = 0.0022523 k( 91) = ( -0.2013723 0.2344273 0.7413986), wk = 0.0022523 k( 92) = ( -0.2070068 0.2409867 0.7327514), wk = 0.0022523 k( 93) = ( -0.2126413 0.2475461 0.7241043), wk = 0.0022523 k( 94) = ( -0.2182757 0.2541055 0.7154572), wk = 0.0022523 k( 95) = ( -0.2239102 0.2606648 0.7068100), wk = 0.0022523 k( 96) = ( -0.2295447 0.2672242 0.6981629), wk = 0.0022523 k( 97) = ( -0.2351792 0.2737836 0.6895158), wk = 0.0022523 k( 98) = ( -0.2408137 0.2803430 0.6808686), wk = 0.0022523 k( 99) = ( -0.2464482 0.2869023 0.6722215), wk = 0.0022523 k( 100) = ( -0.2520827 0.2934617 0.6635744), wk = 0.0022523 k( 101) = ( -0.2577171 0.3000211 0.6549272), wk = 0.0022523 k( 102) = ( -0.2633516 0.3065805 0.6462801), wk = 0.0022523 k( 103) = ( -0.2689861 0.3131399 0.6376330), wk = 0.0022523 k( 104) = ( -0.2746206 0.3196992 0.6289859), wk = 0.0022523 k( 105) = ( -0.2802551 0.3262586 0.6203387), wk = 0.0022523 k( 106) = ( -0.2858896 0.3328180 0.6116916), wk = 0.0022523 k( 107) = ( -0.2915240 0.3393774 0.6030445), wk = 0.0022523 k( 108) = ( -0.2971585 0.3459368 0.5943973), wk = 0.0022523 k( 109) = ( -0.3027930 0.3524961 0.5857502), wk = 0.0022523 k( 110) = ( -0.3084275 0.3590555 0.5771031), wk = 0.0022523 k( 111) = ( -0.3140620 0.3656149 0.5684559), wk = 0.0022523 k( 112) = ( -0.3196965 0.3721743 0.5598088), wk = 0.0022523 k( 113) = ( -0.3253310 0.3787337 0.5511617), wk = 0.0022523 k( 114) = ( -0.3309654 0.3852930 0.5425146), wk = 0.0022523 k( 115) = ( -0.3365999 0.3918524 0.5338674), wk = 0.0022523 k( 116) = ( -0.3422344 0.3984118 0.5252203), wk = 0.0022523 k( 117) = ( -0.3422344 0.3984118 0.5252203), wk = 0.0022523 k( 118) = ( -0.3365305 0.3917716 0.5164666), wk = 0.0022523 k( 119) = ( -0.3308266 0.3851314 0.5077129), wk = 0.0022523 k( 120) = ( -0.3251227 0.3784912 0.4989593), wk = 0.0022523 k( 121) = ( -0.3194188 0.3718510 0.4902056), wk = 0.0022523 k( 122) = ( -0.3137149 0.3652108 0.4814519), wk = 0.0022523 k( 123) = ( -0.3080110 0.3585706 0.4726983), wk = 0.0022523 k( 124) = ( -0.3023071 0.3519304 0.4639446), wk = 0.0022523 k( 125) = ( -0.2966032 0.3452902 0.4551909), wk = 0.0022523 k( 126) = ( -0.2908993 0.3386500 0.4464373), wk = 0.0022523 k( 127) = ( -0.2851954 0.3320098 0.4376836), wk = 0.0022523 k( 128) = ( -0.2794914 0.3253696 0.4289299), wk = 0.0022523 k( 129) = ( -0.2737875 0.3187294 0.4201762), wk = 0.0022523 k( 130) = ( -0.2680836 0.3120892 0.4114226), wk = 0.0022523 k( 131) = ( -0.2623797 0.3054490 0.4026689), wk = 0.0022523 k( 132) = ( -0.2566758 0.2988088 0.3939152), wk = 0.0022523 k( 133) = ( -0.2509719 0.2921687 0.3851616), wk = 0.0022523 k( 134) = ( -0.2452680 0.2855285 0.3764079), wk = 0.0022523 k( 135) = ( -0.2395641 0.2788883 0.3676542), wk = 0.0022523 k( 136) = ( -0.2338602 0.2722481 0.3589005), wk = 0.0022523 k( 137) = ( -0.2281563 0.2656079 0.3501469), wk = 0.0022523 k( 138) = ( -0.2224524 0.2589677 0.3413932), wk = 0.0022523 k( 139) = ( -0.2167485 0.2523275 0.3326395), wk = 0.0022523 k( 140) = ( -0.2110446 0.2456873 0.3238858), wk = 0.0022523 k( 141) = ( -0.2053407 0.2390471 0.3151322), wk = 0.0022523 k( 142) = ( -0.1996367 0.2324069 0.3063785), wk = 0.0022523 k( 143) = ( -0.1939328 0.2257667 0.2976248), wk = 0.0022523 k( 144) = ( -0.1882289 0.2191265 0.2888712), wk = 0.0022523 k( 145) = ( -0.1825250 0.2124863 0.2801175), wk = 0.0022523 k( 146) = ( -0.1768211 0.2058461 0.2713638), wk = 0.0022523 k( 147) = ( -0.1711172 0.1992059 0.2626101), wk = 0.0022523 k( 148) = ( -0.1654133 0.1925657 0.2538565), wk = 0.0022523 k( 149) = ( -0.1597094 0.1859255 0.2451028), wk = 0.0022523 k( 150) = ( -0.1540055 0.1792853 0.2363491), wk = 0.0022523 k( 151) = ( -0.1483016 0.1726451 0.2275955), wk = 0.0022523 k( 152) = ( -0.1425977 0.1660049 0.2188418), wk = 0.0022523 k( 153) = ( -0.1368938 0.1593647 0.2100881), wk = 0.0022523 k( 154) = ( -0.1311899 0.1527245 0.2013344), wk = 0.0022523 k( 155) = ( -0.1254860 0.1460843 0.1925808), wk = 0.0022523 k( 156) = ( -0.1197821 0.1394441 0.1838271), wk = 0.0022523 k( 157) = ( -0.1140781 0.1328039 0.1750734), wk = 0.0022523 k( 158) = ( -0.1083742 0.1261637 0.1663198), wk = 0.0022523 k( 159) = ( -0.1026703 0.1195235 0.1575661), wk = 0.0022523 k( 160) = ( -0.0969664 0.1128833 0.1488124), wk = 0.0022523 k( 161) = ( -0.0912625 0.1062431 0.1400587), wk = 0.0022523 k( 162) = ( -0.0855586 0.0996029 0.1313051), wk = 0.0022523 k( 163) = ( -0.0798547 0.0929628 0.1225514), wk = 0.0022523 k( 164) = ( -0.0741508 0.0863226 0.1137977), wk = 0.0022523 k( 165) = ( -0.0684469 0.0796824 0.1050441), wk = 0.0022523 k( 166) = ( -0.0627430 0.0730422 0.0962904), wk = 0.0022523 k( 167) = ( -0.0570391 0.0664020 0.0875367), wk = 0.0022523 k( 168) = ( -0.0513352 0.0597618 0.0787830), wk = 0.0022523 k( 169) = ( -0.0456313 0.0531216 0.0700294), wk = 0.0022523 k( 170) = ( -0.0399274 0.0464814 0.0612757), wk = 0.0022523 k( 171) = ( -0.0342234 0.0398412 0.0525220), wk = 0.0022523 k( 172) = ( -0.0285195 0.0332010 0.0437683), wk = 0.0022523 k( 173) = ( -0.0228156 0.0265608 0.0350147), wk = 0.0022523 k( 174) = ( -0.0171117 0.0199206 0.0262610), wk = 0.0022523 k( 175) = ( -0.0114078 0.0132804 0.0175073), wk = 0.0022523 k( 176) = ( -0.0057039 0.0066402 0.0087537), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 179) = ( 0.0092593 0.0079537 -0.0000000), wk = 0.0022523 k( 180) = ( 0.0185185 0.0159073 -0.0000000), wk = 0.0022523 k( 181) = ( 0.0277778 0.0238610 -0.0000000), wk = 0.0022523 k( 182) = ( 0.0370370 0.0318147 -0.0000000), wk = 0.0022523 k( 183) = ( 0.0462963 0.0397684 -0.0000000), wk = 0.0022523 k( 184) = ( 0.0555556 0.0477220 -0.0000000), wk = 0.0022523 k( 185) = ( 0.0648148 0.0556757 -0.0000000), wk = 0.0022523 k( 186) = ( 0.0740741 0.0636294 -0.0000000), wk = 0.0022523 k( 187) = ( 0.0833333 0.0715831 -0.0000000), wk = 0.0022523 k( 188) = ( 0.0925926 0.0795367 -0.0000000), wk = 0.0022523 k( 189) = ( 0.1018518 0.0874904 -0.0000000), wk = 0.0022523 k( 190) = ( 0.1111111 0.0954441 -0.0000000), wk = 0.0022523 k( 191) = ( 0.1203704 0.1033978 -0.0000000), wk = 0.0022523 k( 192) = ( 0.1296296 0.1113514 -0.0000000), wk = 0.0022523 k( 193) = ( 0.1388889 0.1193051 -0.0000000), wk = 0.0022523 k( 194) = ( 0.1481482 0.1272588 -0.0000000), wk = 0.0022523 k( 195) = ( 0.1574074 0.1352124 -0.0000000), wk = 0.0022523 k( 196) = ( 0.1666667 0.1431661 -0.0000000), wk = 0.0022523 k( 197) = ( 0.1759259 0.1511198 -0.0000000), wk = 0.0022523 k( 198) = ( 0.1851852 0.1590735 -0.0000000), wk = 0.0022523 k( 199) = ( 0.1944444 0.1670271 0.0000000), wk = 0.0022523 k( 200) = ( 0.2037037 0.1749808 -0.0000000), wk = 0.0022523 k( 201) = ( 0.2129630 0.1829345 -0.0000000), wk = 0.0022523 k( 202) = ( 0.2222222 0.1908882 -0.0000000), wk = 0.0022523 k( 203) = ( 0.2314815 0.1988418 -0.0000000), wk = 0.0022523 k( 204) = ( 0.2407407 0.2067955 -0.0000000), wk = 0.0022523 k( 205) = ( 0.2500000 0.2147492 -0.0000000), wk = 0.0022523 k( 206) = ( 0.2592593 0.2227029 -0.0000000), wk = 0.0022523 k( 207) = ( 0.2685185 0.2306565 -0.0000000), wk = 0.0022523 k( 208) = ( 0.2777778 0.2386102 -0.0000000), wk = 0.0022523 k( 209) = ( 0.2870370 0.2465639 -0.0000000), wk = 0.0022523 k( 210) = ( 0.2962963 0.2545175 -0.0000000), wk = 0.0022523 k( 211) = ( 0.3055556 0.2624712 -0.0000000), wk = 0.0022523 k( 212) = ( 0.3148148 0.2704249 -0.0000000), wk = 0.0022523 k( 213) = ( 0.3240741 0.2783786 -0.0000000), wk = 0.0022523 k( 214) = ( 0.3333333 0.2863322 -0.0000000), wk = 0.0022523 k( 215) = ( 0.3425926 0.2942859 -0.0000000), wk = 0.0022523 k( 216) = ( 0.3518519 0.3022396 -0.0000000), wk = 0.0022523 k( 217) = ( 0.3611111 0.3101933 -0.0000000), wk = 0.0022523 k( 218) = ( 0.3703704 0.3181469 -0.0000000), wk = 0.0022523 k( 219) = ( 0.3796296 0.3261006 -0.0000000), wk = 0.0022523 k( 220) = ( 0.3888889 0.3340543 0.0000000), wk = 0.0022523 k( 221) = ( 0.3981481 0.3420080 0.0000000), wk = 0.0022523 k( 222) = ( 0.4074074 0.3499616 -0.0000000), wk = 0.0022523 k( 223) = ( 0.4166667 0.3579153 0.0000000), wk = 0.0022523 k( 224) = ( 0.4259259 0.3658690 0.0000000), wk = 0.0022523 k( 225) = ( 0.4351852 0.3738226 -0.0000000), wk = 0.0022523 k( 226) = ( 0.4444444 0.3817763 -0.0000000), wk = 0.0022523 k( 227) = ( 0.4537037 0.3897300 -0.0000000), wk = 0.0022523 k( 228) = ( 0.4629630 0.3976837 -0.0000000), wk = 0.0022523 k( 229) = ( 0.4722222 0.4056373 -0.0000000), wk = 0.0022523 k( 230) = ( 0.4814815 0.4135910 -0.0000000), wk = 0.0022523 k( 231) = ( 0.4907407 0.4215447 -0.0000000), wk = 0.0022523 k( 232) = ( 0.5000000 0.4294984 -0.0000000), wk = 0.0022523 k( 233) = ( 0.5000000 0.4294984 -0.0000000), wk = 0.0022523 k( 234) = ( 0.4943655 0.4360577 0.0086471), wk = 0.0022523 k( 235) = ( 0.4887310 0.4426171 0.0172943), wk = 0.0022523 k( 236) = ( 0.4830965 0.4491765 0.0259414), wk = 0.0022523 k( 237) = ( 0.4774621 0.4557359 0.0345885), wk = 0.0022523 k( 238) = ( 0.4718276 0.4622953 0.0432357), wk = 0.0022523 k( 239) = ( 0.4661931 0.4688546 0.0518828), wk = 0.0022523 k( 240) = ( 0.4605586 0.4754140 0.0605299), wk = 0.0022523 k( 241) = ( 0.4549241 0.4819734 0.0691770), wk = 0.0022523 k( 242) = ( 0.4492896 0.4885328 0.0778242), wk = 0.0022523 k( 243) = ( 0.4436551 0.4950921 0.0864713), wk = 0.0022523 k( 244) = ( 0.4380207 0.5016515 0.0951184), wk = 0.0022523 k( 245) = ( 0.4323862 0.5082109 0.1037656), wk = 0.0022523 k( 246) = ( 0.4267517 0.5147703 0.1124127), wk = 0.0022523 k( 247) = ( 0.4211172 0.5213297 0.1210598), wk = 0.0022523 k( 248) = ( 0.4154827 0.5278890 0.1297070), wk = 0.0022523 k( 249) = ( 0.4098482 0.5344484 0.1383541), wk = 0.0022523 k( 250) = ( 0.4042137 0.5410078 0.1470012), wk = 0.0022523 k( 251) = ( 0.3985793 0.5475672 0.1556484), wk = 0.0022523 k( 252) = ( 0.3929448 0.5541266 0.1642955), wk = 0.0022523 k( 253) = ( 0.3873103 0.5606859 0.1729426), wk = 0.0022523 k( 254) = ( 0.3816758 0.5672453 0.1815898), wk = 0.0022523 k( 255) = ( 0.3760413 0.5738047 0.1902369), wk = 0.0022523 k( 256) = ( 0.3704068 0.5803641 0.1988840), wk = 0.0022523 k( 257) = ( 0.3647724 0.5869235 0.2075311), wk = 0.0022523 k( 258) = ( 0.3591379 0.5934828 0.2161783), wk = 0.0022523 k( 259) = ( 0.3535034 0.6000422 0.2248254), wk = 0.0022523 k( 260) = ( 0.3478689 0.6066016 0.2334725), wk = 0.0022523 k( 261) = ( 0.3422344 0.6131610 0.2421197), wk = 0.0022523 k( 262) = ( 0.3422344 0.6131610 0.2421197), wk = 0.0022523 k( 263) = ( 0.3315396 0.6098055 0.2465431), wk = 0.0022523 k( 264) = ( 0.3208448 0.6064501 0.2509666), wk = 0.0022523 k( 265) = ( 0.3101499 0.6030946 0.2553900), wk = 0.0022523 k( 266) = ( 0.2994551 0.5997391 0.2598135), wk = 0.0022523 k( 267) = ( 0.2887603 0.5963837 0.2642369), wk = 0.0022523 k( 268) = ( 0.2780655 0.5930282 0.2686603), wk = 0.0022523 k( 269) = ( 0.2673706 0.5896728 0.2730838), wk = 0.0022523 k( 270) = ( 0.2566758 0.5863173 0.2775073), wk = 0.0022523 k( 271) = ( 0.2459810 0.5829619 0.2819307), wk = 0.0022523 k( 272) = ( 0.2352862 0.5796064 0.2863541), wk = 0.0022523 k( 273) = ( 0.2245913 0.5762510 0.2907776), wk = 0.0022523 k( 274) = ( 0.2138965 0.5728955 0.2952010), wk = 0.0022523 k( 275) = ( 0.2032017 0.5695400 0.2996245), wk = 0.0022523 k( 276) = ( 0.1925069 0.5661846 0.3040479), wk = 0.0022523 k( 277) = ( 0.1818120 0.5628291 0.3084714), wk = 0.0022523 k( 278) = ( 0.1711172 0.5594737 0.3128948), wk = 0.0022523 k( 279) = ( 0.1604224 0.5561182 0.3173183), wk = 0.0022523 k( 280) = ( 0.1497276 0.5527628 0.3217417), wk = 0.0022523 k( 281) = ( 0.1390327 0.5494073 0.3261652), wk = 0.0022523 k( 282) = ( 0.1283379 0.5460518 0.3305886), wk = 0.0022523 k( 283) = ( 0.1176431 0.5426964 0.3350121), wk = 0.0022523 k( 284) = ( 0.1069483 0.5393409 0.3394355), wk = 0.0022523 k( 285) = ( 0.0962534 0.5359855 0.3438590), wk = 0.0022523 k( 286) = ( 0.0855586 0.5326300 0.3482824), wk = 0.0022523 k( 287) = ( 0.0748638 0.5292746 0.3527058), wk = 0.0022523 k( 288) = ( 0.0641690 0.5259191 0.3571293), wk = 0.0022523 k( 289) = ( 0.0534741 0.5225637 0.3615527), wk = 0.0022523 k( 290) = ( 0.0427793 0.5192082 0.3659762), wk = 0.0022523 k( 291) = ( 0.0320845 0.5158527 0.3703996), wk = 0.0022523 k( 292) = ( 0.0213896 0.5124973 0.3748231), wk = 0.0022523 k( 293) = ( 0.0106948 0.5091418 0.3792465), wk = 0.0022523 k( 294) = ( 0.0000000 0.5057864 0.3836700), wk = 0.0022523 k( 295) = ( 0.0000000 0.5057864 0.3836700), wk = 0.0022523 k( 296) = ( 0.0056818 0.4991719 0.3923898), wk = 0.0022523 k( 297) = ( 0.0113636 0.4925574 0.4011095), wk = 0.0022523 k( 298) = ( 0.0170455 0.4859429 0.4098293), wk = 0.0022523 k( 299) = ( 0.0227273 0.4793285 0.4185491), wk = 0.0022523 k( 300) = ( 0.0284091 0.4727140 0.4272688), wk = 0.0022523 k( 301) = ( 0.0340909 0.4660995 0.4359886), wk = 0.0022523 k( 302) = ( 0.0397727 0.4594850 0.4447084), wk = 0.0022523 k( 303) = ( 0.0454546 0.4528705 0.4534282), wk = 0.0022523 k( 304) = ( 0.0511364 0.4462560 0.4621479), wk = 0.0022523 k( 305) = ( 0.0568182 0.4396416 0.4708677), wk = 0.0022523 k( 306) = ( 0.0625000 0.4330271 0.4795875), wk = 0.0022523 k( 307) = ( 0.0681818 0.4264126 0.4883072), wk = 0.0022523 k( 308) = ( 0.0738636 0.4197981 0.4970270), wk = 0.0022523 k( 309) = ( 0.0795455 0.4131836 0.5057468), wk = 0.0022523 k( 310) = ( 0.0852273 0.4065692 0.5144666), wk = 0.0022523 k( 311) = ( 0.0909091 0.3999547 0.5231863), wk = 0.0022523 k( 312) = ( 0.0965909 0.3933402 0.5319061), wk = 0.0022523 k( 313) = ( 0.1022727 0.3867257 0.5406259), wk = 0.0022523 k( 314) = ( 0.1079545 0.3801112 0.5493457), wk = 0.0022523 k( 315) = ( 0.1136364 0.3734967 0.5580654), wk = 0.0022523 k( 316) = ( 0.1193182 0.3668823 0.5667852), wk = 0.0022523 k( 317) = ( 0.1250000 0.3602678 0.5755050), wk = 0.0022523 k( 318) = ( 0.1306818 0.3536533 0.5842247), wk = 0.0022523 k( 319) = ( 0.1363636 0.3470388 0.5929445), wk = 0.0022523 k( 320) = ( 0.1420454 0.3404243 0.6016643), wk = 0.0022523 k( 321) = ( 0.1477273 0.3338099 0.6103841), wk = 0.0022523 k( 322) = ( 0.1534091 0.3271954 0.6191038), wk = 0.0022523 k( 323) = ( 0.1590909 0.3205809 0.6278236), wk = 0.0022523 k( 324) = ( 0.1647727 0.3139664 0.6365434), wk = 0.0022523 k( 325) = ( 0.1704546 0.3073519 0.6452632), wk = 0.0022523 k( 326) = ( 0.1761364 0.3007374 0.6539829), wk = 0.0022523 k( 327) = ( 0.1818182 0.2941230 0.6627027), wk = 0.0022523 k( 328) = ( 0.1875000 0.2875085 0.6714225), wk = 0.0022523 k( 329) = ( 0.1931818 0.2808940 0.6801422), wk = 0.0022523 k( 330) = ( 0.1988636 0.2742795 0.6888620), wk = 0.0022523 k( 331) = ( 0.2045454 0.2676650 0.6975818), wk = 0.0022523 k( 332) = ( 0.2102273 0.2610506 0.7063015), wk = 0.0022523 k( 333) = ( 0.2159091 0.2544361 0.7150213), wk = 0.0022523 k( 334) = ( 0.2215909 0.2478216 0.7237411), wk = 0.0022523 k( 335) = ( 0.2272727 0.2412071 0.7324609), wk = 0.0022523 k( 336) = ( 0.2329546 0.2345926 0.7411806), wk = 0.0022523 k( 337) = ( 0.2386364 0.2279781 0.7499004), wk = 0.0022523 k( 338) = ( 0.2443182 0.2213637 0.7586202), wk = 0.0022523 k( 339) = ( 0.2500000 0.2147492 0.7673400), wk = 0.0022523 k( 340) = ( 0.2500000 0.2147492 0.7673400), wk = 0.0022523 k( 341) = ( 0.2571429 0.2208849 0.7592514), wk = 0.0022523 k( 342) = ( 0.2642857 0.2270206 0.7511628), wk = 0.0022523 k( 343) = ( 0.2714286 0.2331562 0.7430742), wk = 0.0022523 k( 344) = ( 0.2785714 0.2392919 0.7349856), wk = 0.0022523 k( 345) = ( 0.2857143 0.2454276 0.7268970), wk = 0.0022523 k( 346) = ( 0.2928571 0.2515633 0.7188084), wk = 0.0022523 k( 347) = ( 0.3000000 0.2576990 0.7107198), wk = 0.0022523 k( 348) = ( 0.3071429 0.2638347 0.7026313), wk = 0.0022523 k( 349) = ( 0.3142857 0.2699704 0.6945426), wk = 0.0022523 k( 350) = ( 0.3214286 0.2761061 0.6864541), wk = 0.0022523 k( 351) = ( 0.3285714 0.2822418 0.6783655), wk = 0.0022523 k( 352) = ( 0.3357143 0.2883775 0.6702769), wk = 0.0022523 k( 353) = ( 0.3428571 0.2945132 0.6621883), wk = 0.0022523 k( 354) = ( 0.3500000 0.3006488 0.6540997), wk = 0.0022523 k( 355) = ( 0.3571429 0.3067845 0.6460111), wk = 0.0022523 k( 356) = ( 0.3642857 0.3129202 0.6379225), wk = 0.0022523 k( 357) = ( 0.3714286 0.3190559 0.6298339), wk = 0.0022523 k( 358) = ( 0.3785714 0.3251916 0.6217454), wk = 0.0022523 k( 359) = ( 0.3857143 0.3313273 0.6136568), wk = 0.0022523 k( 360) = ( 0.3928571 0.3374630 0.6055682), wk = 0.0022523 k( 361) = ( 0.4000000 0.3435987 0.5974796), wk = 0.0022523 k( 362) = ( 0.4071429 0.3497344 0.5893910), wk = 0.0022523 k( 363) = ( 0.4142857 0.3558701 0.5813024), wk = 0.0022523 k( 364) = ( 0.4214286 0.3620058 0.5732138), wk = 0.0022523 k( 365) = ( 0.4285714 0.3681414 0.5651252), wk = 0.0022523 k( 366) = ( 0.4357143 0.3742771 0.5570366), wk = 0.0022523 k( 367) = ( 0.4428571 0.3804128 0.5489481), wk = 0.0022523 k( 368) = ( 0.4500000 0.3865485 0.5408595), wk = 0.0022523 k( 369) = ( 0.4571429 0.3926842 0.5327709), wk = 0.0022523 k( 370) = ( 0.4642857 0.3988199 0.5246823), wk = 0.0022523 k( 371) = ( 0.4714286 0.4049556 0.5165937), wk = 0.0022523 k( 372) = ( 0.4785714 0.4110913 0.5085051), wk = 0.0022523 k( 373) = ( 0.4857143 0.4172270 0.5004165), wk = 0.0022523 k( 374) = ( 0.4928571 0.4233627 0.4923279), wk = 0.0022523 k( 375) = ( 0.5000000 0.4294984 0.4842393), wk = 0.0022523 k( 376) = ( 0.5000000 0.4294984 0.4842393), wk = 0.0022523 k( 377) = ( 0.5000000 0.4294984 0.4721334), wk = 0.0022523 k( 378) = ( 0.5000000 0.4294984 0.4600274), wk = 0.0022523 k( 379) = ( 0.5000000 0.4294984 0.4479214), wk = 0.0022523 k( 380) = ( 0.5000000 0.4294984 0.4358154), wk = 0.0022523 k( 381) = ( 0.5000000 0.4294984 0.4237094), wk = 0.0022523 k( 382) = ( 0.5000000 0.4294984 0.4116034), wk = 0.0022523 k( 383) = ( 0.5000000 0.4294984 0.3994975), wk = 0.0022523 k( 384) = ( 0.5000000 0.4294984 0.3873915), wk = 0.0022523 k( 385) = ( 0.5000000 0.4294984 0.3752855), wk = 0.0022523 k( 386) = ( 0.5000000 0.4294984 0.3631795), wk = 0.0022523 k( 387) = ( 0.5000000 0.4294984 0.3510735), wk = 0.0022523 k( 388) = ( 0.5000000 0.4294984 0.3389675), wk = 0.0022523 k( 389) = ( 0.5000000 0.4294984 0.3268615), wk = 0.0022523 k( 390) = ( 0.5000000 0.4294984 0.3147556), wk = 0.0022523 k( 391) = ( 0.5000000 0.4294984 0.3026496), wk = 0.0022523 k( 392) = ( 0.5000000 0.4294984 0.2905436), wk = 0.0022523 k( 393) = ( 0.5000000 0.4294984 0.2784376), wk = 0.0022523 k( 394) = ( 0.5000000 0.4294984 0.2663316), wk = 0.0022523 k( 395) = ( 0.5000000 0.4294984 0.2542257), wk = 0.0022523 k( 396) = ( 0.5000000 0.4294984 0.2421197), wk = 0.0022523 k( 397) = ( 0.5000000 0.4294984 0.2300137), wk = 0.0022523 k( 398) = ( 0.5000000 0.4294984 0.2179077), wk = 0.0022523 k( 399) = ( 0.5000000 0.4294984 0.2058017), wk = 0.0022523 k( 400) = ( 0.5000000 0.4294984 0.1936957), wk = 0.0022523 k( 401) = ( 0.5000000 0.4294984 0.1815898), wk = 0.0022523 k( 402) = ( 0.5000000 0.4294984 0.1694838), wk = 0.0022523 k( 403) = ( 0.5000000 0.4294984 0.1573778), wk = 0.0022523 k( 404) = ( 0.5000000 0.4294984 0.1452718), wk = 0.0022523 k( 405) = ( 0.5000000 0.4294984 0.1331658), wk = 0.0022523 k( 406) = ( 0.5000000 0.4294984 0.1210598), wk = 0.0022523 k( 407) = ( 0.5000000 0.4294984 0.1089538), wk = 0.0022523 k( 408) = ( 0.5000000 0.4294984 0.0968479), wk = 0.0022523 k( 409) = ( 0.5000000 0.4294984 0.0847419), wk = 0.0022523 k( 410) = ( 0.5000000 0.4294984 0.0726359), wk = 0.0022523 k( 411) = ( 0.5000000 0.4294984 0.0605299), wk = 0.0022523 k( 412) = ( 0.5000000 0.4294984 0.0484239), wk = 0.0022523 k( 413) = ( 0.5000000 0.4294984 0.0363180), wk = 0.0022523 k( 414) = ( 0.5000000 0.4294984 0.0242120), wk = 0.0022523 k( 415) = ( 0.5000000 0.4294984 0.0121060), wk = 0.0022523 k( 416) = ( 0.5000000 0.4294984 -0.0000000), wk = 0.0022523 k( 417) = ( 0.0000000 0.0000000 0.7673400), wk = 0.0022523 k( 418) = ( 0.0092593 0.0079537 0.7673400), wk = 0.0022523 k( 419) = ( 0.0185185 0.0159073 0.7673400), wk = 0.0022523 k( 420) = ( 0.0277778 0.0238610 0.7673400), wk = 0.0022523 k( 421) = ( 0.0370370 0.0318147 0.7673400), wk = 0.0022523 k( 422) = ( 0.0462963 0.0397684 0.7673400), wk = 0.0022523 k( 423) = ( 0.0555556 0.0477220 0.7673400), wk = 0.0022523 k( 424) = ( 0.0648148 0.0556757 0.7673400), wk = 0.0022523 k( 425) = ( 0.0740741 0.0636294 0.7673400), wk = 0.0022523 k( 426) = ( 0.0833333 0.0715831 0.7673400), wk = 0.0022523 k( 427) = ( 0.0925926 0.0795367 0.7673400), wk = 0.0022523 k( 428) = ( 0.1018518 0.0874904 0.7673400), wk = 0.0022523 k( 429) = ( 0.1111111 0.0954441 0.7673400), wk = 0.0022523 k( 430) = ( 0.1203704 0.1033978 0.7673400), wk = 0.0022523 k( 431) = ( 0.1296296 0.1113514 0.7673400), wk = 0.0022523 k( 432) = ( 0.1388889 0.1193051 0.7673400), wk = 0.0022523 k( 433) = ( 0.1481482 0.1272588 0.7673400), wk = 0.0022523 k( 434) = ( 0.1574074 0.1352124 0.7673400), wk = 0.0022523 k( 435) = ( 0.1666667 0.1431661 0.7673400), wk = 0.0022523 k( 436) = ( 0.1759259 0.1511198 0.7673400), wk = 0.0022523 k( 437) = ( 0.1851852 0.1590735 0.7673400), wk = 0.0022523 k( 438) = ( 0.1944444 0.1670271 0.7673400), wk = 0.0022523 k( 439) = ( 0.2037037 0.1749808 0.7673400), wk = 0.0022523 k( 440) = ( 0.2129630 0.1829345 0.7673400), wk = 0.0022523 k( 441) = ( 0.2222222 0.1908882 0.7673400), wk = 0.0022523 k( 442) = ( 0.2314815 0.1988418 0.7673400), wk = 0.0022523 k( 443) = ( 0.2407407 0.2067955 0.7673400), wk = 0.0022523 k( 444) = ( 0.2500000 0.2147492 0.7673400), wk = 0.0022523 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0000000 0.0000000 0.0080645), wk = 0.0022523 k( 3) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0022523 k( 4) = ( 0.0000000 0.0000000 0.0241936), wk = 0.0022523 k( 5) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0022523 k( 6) = ( 0.0000000 0.0000000 0.0403226), wk = 0.0022523 k( 7) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0022523 k( 8) = ( 0.0000000 0.0000000 0.0564516), wk = 0.0022523 k( 9) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0022523 k( 10) = ( 0.0000000 0.0000000 0.0725806), wk = 0.0022523 k( 11) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0022523 k( 12) = ( 0.0000000 0.0000000 0.0887097), wk = 0.0022523 k( 13) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0022523 k( 14) = ( 0.0000000 0.0000000 0.1048387), wk = 0.0022523 k( 15) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0022523 k( 16) = ( 0.0000000 0.0000000 0.1209677), wk = 0.0022523 k( 17) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0022523 k( 18) = ( 0.0000000 0.0000000 0.1370968), wk = 0.0022523 k( 19) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0022523 k( 20) = ( 0.0000000 0.0000000 0.1532258), wk = 0.0022523 k( 21) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0022523 k( 22) = ( 0.0000000 0.0000000 0.1693548), wk = 0.0022523 k( 23) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0022523 k( 24) = ( 0.0000000 0.0000000 0.1854839), wk = 0.0022523 k( 25) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0022523 k( 26) = ( 0.0000000 0.0000000 0.2016129), wk = 0.0022523 k( 27) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0022523 k( 28) = ( 0.0000000 0.0000000 0.2177419), wk = 0.0022523 k( 29) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0022523 k( 30) = ( 0.0000000 0.0000000 0.2338710), wk = 0.0022523 k( 31) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0022523 k( 32) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022523 k( 33) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0022523 k( 34) = ( 0.0000000 0.0000000 0.2661290), wk = 0.0022523 k( 35) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0022523 k( 36) = ( 0.0000000 0.0000000 0.2822581), wk = 0.0022523 k( 37) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0022523 k( 38) = ( 0.0000000 0.0000000 0.2983871), wk = 0.0022523 k( 39) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0022523 k( 40) = ( 0.0000000 0.0000000 0.3145161), wk = 0.0022523 k( 41) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0022523 k( 42) = ( 0.0000000 0.0000000 0.3306452), wk = 0.0022523 k( 43) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0022523 k( 44) = ( 0.0000000 0.0000000 0.3467742), wk = 0.0022523 k( 45) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0022523 k( 46) = ( 0.0000000 0.0000000 0.3629032), wk = 0.0022523 k( 47) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0022523 k( 48) = ( 0.0000000 0.0000000 0.3790323), wk = 0.0022523 k( 49) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0022523 k( 50) = ( 0.0000000 0.0000000 0.3951613), wk = 0.0022523 k( 51) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0022523 k( 52) = ( 0.0000000 0.0000000 0.4112903), wk = 0.0022523 k( 53) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0022523 k( 54) = ( 0.0000000 0.0000000 0.4274193), wk = 0.0022523 k( 55) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0022523 k( 56) = ( 0.0000000 0.0000000 0.4435484), wk = 0.0022523 k( 57) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0022523 k( 58) = ( 0.0000000 0.0000000 0.4596774), wk = 0.0022523 k( 59) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0022523 k( 60) = ( 0.0000000 0.0000000 0.4758064), wk = 0.0022523 k( 61) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0022523 k( 62) = ( 0.0000000 0.0000000 0.4919355), wk = 0.0022523 k( 63) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 65) = ( -0.0080204 0.0080204 0.5000000), wk = 0.0022523 k( 66) = ( -0.0160408 0.0160408 0.5000000), wk = 0.0022523 k( 67) = ( -0.0240611 0.0240611 0.5000000), wk = 0.0022523 k( 68) = ( -0.0320815 0.0320815 0.5000000), wk = 0.0022523 k( 69) = ( -0.0401019 0.0401019 0.5000000), wk = 0.0022523 k( 70) = ( -0.0481223 0.0481223 0.5000000), wk = 0.0022523 k( 71) = ( -0.0561427 0.0561427 0.5000000), wk = 0.0022523 k( 72) = ( -0.0641631 0.0641631 0.5000000), wk = 0.0022523 k( 73) = ( -0.0721835 0.0721835 0.5000000), wk = 0.0022523 k( 74) = ( -0.0802038 0.0802038 0.5000000), wk = 0.0022523 k( 75) = ( -0.0882242 0.0882242 0.5000000), wk = 0.0022523 k( 76) = ( -0.0962446 0.0962446 0.5000000), wk = 0.0022523 k( 77) = ( -0.1042650 0.1042650 0.5000000), wk = 0.0022523 k( 78) = ( -0.1122854 0.1122854 0.5000000), wk = 0.0022523 k( 79) = ( -0.1203058 0.1203058 0.5000000), wk = 0.0022523 k( 80) = ( -0.1283261 0.1283261 0.5000000), wk = 0.0022523 k( 81) = ( -0.1363465 0.1363465 0.5000000), wk = 0.0022523 k( 82) = ( -0.1443669 0.1443669 0.5000000), wk = 0.0022523 k( 83) = ( -0.1523873 0.1523873 0.5000000), wk = 0.0022523 k( 84) = ( -0.1604077 0.1604077 0.5000000), wk = 0.0022523 k( 85) = ( -0.1684281 0.1684281 0.5000000), wk = 0.0022523 k( 86) = ( -0.1764485 0.1764484 0.5000000), wk = 0.0022523 k( 87) = ( -0.1844688 0.1844688 0.5000000), wk = 0.0022523 k( 88) = ( -0.1844688 0.1844688 0.5000000), wk = 0.0022523 k( 89) = ( -0.1901033 0.1901033 0.4943655), wk = 0.0022523 k( 90) = ( -0.1957378 0.1957378 0.4887310), wk = 0.0022523 k( 91) = ( -0.2013723 0.2013723 0.4830965), wk = 0.0022523 k( 92) = ( -0.2070068 0.2070068 0.4774621), wk = 0.0022523 k( 93) = ( -0.2126413 0.2126413 0.4718276), wk = 0.0022523 k( 94) = ( -0.2182757 0.2182757 0.4661931), wk = 0.0022523 k( 95) = ( -0.2239102 0.2239102 0.4605586), wk = 0.0022523 k( 96) = ( -0.2295447 0.2295447 0.4549241), wk = 0.0022523 k( 97) = ( -0.2351792 0.2351792 0.4492896), wk = 0.0022523 k( 98) = ( -0.2408137 0.2408137 0.4436551), wk = 0.0022523 k( 99) = ( -0.2464482 0.2464482 0.4380207), wk = 0.0022523 k( 100) = ( -0.2520827 0.2520827 0.4323862), wk = 0.0022523 k( 101) = ( -0.2577171 0.2577171 0.4267517), wk = 0.0022523 k( 102) = ( -0.2633516 0.2633516 0.4211172), wk = 0.0022523 k( 103) = ( -0.2689861 0.2689861 0.4154827), wk = 0.0022523 k( 104) = ( -0.2746206 0.2746206 0.4098482), wk = 0.0022523 k( 105) = ( -0.2802551 0.2802551 0.4042137), wk = 0.0022523 k( 106) = ( -0.2858896 0.2858896 0.3985793), wk = 0.0022523 k( 107) = ( -0.2915240 0.2915240 0.3929448), wk = 0.0022523 k( 108) = ( -0.2971585 0.2971585 0.3873103), wk = 0.0022523 k( 109) = ( -0.3027930 0.3027930 0.3816758), wk = 0.0022523 k( 110) = ( -0.3084275 0.3084275 0.3760413), wk = 0.0022523 k( 111) = ( -0.3140620 0.3140620 0.3704068), wk = 0.0022523 k( 112) = ( -0.3196965 0.3196965 0.3647724), wk = 0.0022523 k( 113) = ( -0.3253310 0.3253310 0.3591379), wk = 0.0022523 k( 114) = ( -0.3309654 0.3309654 0.3535034), wk = 0.0022523 k( 115) = ( -0.3365999 0.3365999 0.3478689), wk = 0.0022523 k( 116) = ( -0.3422344 0.3422344 0.3422344), wk = 0.0022523 k( 117) = ( -0.3422344 0.3422344 0.3422344), wk = 0.0022523 k( 118) = ( -0.3365305 0.3365305 0.3365305), wk = 0.0022523 k( 119) = ( -0.3308266 0.3308266 0.3308266), wk = 0.0022523 k( 120) = ( -0.3251227 0.3251227 0.3251227), wk = 0.0022523 k( 121) = ( -0.3194188 0.3194188 0.3194188), wk = 0.0022523 k( 122) = ( -0.3137149 0.3137149 0.3137149), wk = 0.0022523 k( 123) = ( -0.3080110 0.3080110 0.3080110), wk = 0.0022523 k( 124) = ( -0.3023071 0.3023071 0.3023071), wk = 0.0022523 k( 125) = ( -0.2966032 0.2966032 0.2966032), wk = 0.0022523 k( 126) = ( -0.2908993 0.2908993 0.2908993), wk = 0.0022523 k( 127) = ( -0.2851954 0.2851954 0.2851954), wk = 0.0022523 k( 128) = ( -0.2794914 0.2794914 0.2794914), wk = 0.0022523 k( 129) = ( -0.2737875 0.2737875 0.2737875), wk = 0.0022523 k( 130) = ( -0.2680836 0.2680836 0.2680836), wk = 0.0022523 k( 131) = ( -0.2623797 0.2623797 0.2623797), wk = 0.0022523 k( 132) = ( -0.2566758 0.2566758 0.2566758), wk = 0.0022523 k( 133) = ( -0.2509719 0.2509719 0.2509719), wk = 0.0022523 k( 134) = ( -0.2452680 0.2452680 0.2452680), wk = 0.0022523 k( 135) = ( -0.2395641 0.2395641 0.2395641), wk = 0.0022523 k( 136) = ( -0.2338602 0.2338602 0.2338602), wk = 0.0022523 k( 137) = ( -0.2281563 0.2281563 0.2281563), wk = 0.0022523 k( 138) = ( -0.2224524 0.2224524 0.2224524), wk = 0.0022523 k( 139) = ( -0.2167485 0.2167485 0.2167485), wk = 0.0022523 k( 140) = ( -0.2110446 0.2110446 0.2110446), wk = 0.0022523 k( 141) = ( -0.2053407 0.2053407 0.2053407), wk = 0.0022523 k( 142) = ( -0.1996367 0.1996367 0.1996367), wk = 0.0022523 k( 143) = ( -0.1939328 0.1939328 0.1939328), wk = 0.0022523 k( 144) = ( -0.1882289 0.1882289 0.1882289), wk = 0.0022523 k( 145) = ( -0.1825250 0.1825250 0.1825250), wk = 0.0022523 k( 146) = ( -0.1768211 0.1768211 0.1768211), wk = 0.0022523 k( 147) = ( -0.1711172 0.1711172 0.1711172), wk = 0.0022523 k( 148) = ( -0.1654133 0.1654133 0.1654133), wk = 0.0022523 k( 149) = ( -0.1597094 0.1597094 0.1597094), wk = 0.0022523 k( 150) = ( -0.1540055 0.1540055 0.1540055), wk = 0.0022523 k( 151) = ( -0.1483016 0.1483016 0.1483016), wk = 0.0022523 k( 152) = ( -0.1425977 0.1425977 0.1425977), wk = 0.0022523 k( 153) = ( -0.1368938 0.1368938 0.1368938), wk = 0.0022523 k( 154) = ( -0.1311899 0.1311899 0.1311899), wk = 0.0022523 k( 155) = ( -0.1254860 0.1254860 0.1254860), wk = 0.0022523 k( 156) = ( -0.1197821 0.1197820 0.1197821), wk = 0.0022523 k( 157) = ( -0.1140781 0.1140781 0.1140781), wk = 0.0022523 k( 158) = ( -0.1083742 0.1083742 0.1083742), wk = 0.0022523 k( 159) = ( -0.1026703 0.1026703 0.1026703), wk = 0.0022523 k( 160) = ( -0.0969664 0.0969664 0.0969664), wk = 0.0022523 k( 161) = ( -0.0912625 0.0912625 0.0912625), wk = 0.0022523 k( 162) = ( -0.0855586 0.0855586 0.0855586), wk = 0.0022523 k( 163) = ( -0.0798547 0.0798547 0.0798547), wk = 0.0022523 k( 164) = ( -0.0741508 0.0741508 0.0741508), wk = 0.0022523 k( 165) = ( -0.0684469 0.0684469 0.0684469), wk = 0.0022523 k( 166) = ( -0.0627430 0.0627430 0.0627430), wk = 0.0022523 k( 167) = ( -0.0570391 0.0570391 0.0570391), wk = 0.0022523 k( 168) = ( -0.0513352 0.0513352 0.0513352), wk = 0.0022523 k( 169) = ( -0.0456313 0.0456313 0.0456313), wk = 0.0022523 k( 170) = ( -0.0399274 0.0399273 0.0399274), wk = 0.0022523 k( 171) = ( -0.0342234 0.0342234 0.0342234), wk = 0.0022523 k( 172) = ( -0.0285195 0.0285195 0.0285195), wk = 0.0022523 k( 173) = ( -0.0228156 0.0228156 0.0228156), wk = 0.0022523 k( 174) = ( -0.0171117 0.0171117 0.0171117), wk = 0.0022523 k( 175) = ( -0.0114078 0.0114078 0.0114078), wk = 0.0022523 k( 176) = ( -0.0057039 0.0057039 0.0057039), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 179) = ( 0.0092593 0.0092593 -0.0092593), wk = 0.0022523 k( 180) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0022523 k( 181) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0022523 k( 182) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0022523 k( 183) = ( 0.0462963 0.0462963 -0.0462963), wk = 0.0022523 k( 184) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0022523 k( 185) = ( 0.0648148 0.0648148 -0.0648148), wk = 0.0022523 k( 186) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0022523 k( 187) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0022523 k( 188) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0022523 k( 189) = ( 0.1018518 0.1018518 -0.1018518), wk = 0.0022523 k( 190) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0022523 k( 191) = ( 0.1203704 0.1203704 -0.1203704), wk = 0.0022523 k( 192) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0022523 k( 193) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0022523 k( 194) = ( 0.1481482 0.1481481 -0.1481482), wk = 0.0022523 k( 195) = ( 0.1574074 0.1574074 -0.1574074), wk = 0.0022523 k( 196) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0022523 k( 197) = ( 0.1759259 0.1759259 -0.1759259), wk = 0.0022523 k( 198) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0022523 k( 199) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0022523 k( 200) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0022523 k( 201) = ( 0.2129630 0.2129630 -0.2129630), wk = 0.0022523 k( 202) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0022523 k( 203) = ( 0.2314815 0.2314815 -0.2314815), wk = 0.0022523 k( 204) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0022523 k( 205) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022523 k( 206) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0022523 k( 207) = ( 0.2685185 0.2685185 -0.2685185), wk = 0.0022523 k( 208) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0022523 k( 209) = ( 0.2870370 0.2870370 -0.2870370), wk = 0.0022523 k( 210) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0022523 k( 211) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0022523 k( 212) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0022523 k( 213) = ( 0.3240741 0.3240741 -0.3240741), wk = 0.0022523 k( 214) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0022523 k( 215) = ( 0.3425926 0.3425926 -0.3425926), wk = 0.0022523 k( 216) = ( 0.3518519 0.3518518 -0.3518519), wk = 0.0022523 k( 217) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0022523 k( 218) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0022523 k( 219) = ( 0.3796296 0.3796296 -0.3796296), wk = 0.0022523 k( 220) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0022523 k( 221) = ( 0.3981481 0.3981481 -0.3981481), wk = 0.0022523 k( 222) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0022523 k( 223) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0022523 k( 224) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0022523 k( 225) = ( 0.4351852 0.4351852 -0.4351852), wk = 0.0022523 k( 226) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0022523 k( 227) = ( 0.4537037 0.4537037 -0.4537037), wk = 0.0022523 k( 228) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0022523 k( 229) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0022523 k( 230) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0022523 k( 231) = ( 0.4907407 0.4907407 -0.4907407), wk = 0.0022523 k( 232) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022523 k( 233) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022523 k( 234) = ( 0.4943655 0.5056345 -0.4943655), wk = 0.0022523 k( 235) = ( 0.4887310 0.5112690 -0.4887310), wk = 0.0022523 k( 236) = ( 0.4830965 0.5169035 -0.4830965), wk = 0.0022523 k( 237) = ( 0.4774621 0.5225379 -0.4774621), wk = 0.0022523 k( 238) = ( 0.4718276 0.5281724 -0.4718276), wk = 0.0022523 k( 239) = ( 0.4661931 0.5338069 -0.4661931), wk = 0.0022523 k( 240) = ( 0.4605586 0.5394414 -0.4605586), wk = 0.0022523 k( 241) = ( 0.4549241 0.5450759 -0.4549241), wk = 0.0022523 k( 242) = ( 0.4492896 0.5507104 -0.4492896), wk = 0.0022523 k( 243) = ( 0.4436551 0.5563448 -0.4436551), wk = 0.0022523 k( 244) = ( 0.4380207 0.5619793 -0.4380207), wk = 0.0022523 k( 245) = ( 0.4323862 0.5676138 -0.4323862), wk = 0.0022523 k( 246) = ( 0.4267517 0.5732483 -0.4267517), wk = 0.0022523 k( 247) = ( 0.4211172 0.5788828 -0.4211172), wk = 0.0022523 k( 248) = ( 0.4154827 0.5845173 -0.4154827), wk = 0.0022523 k( 249) = ( 0.4098482 0.5901518 -0.4098482), wk = 0.0022523 k( 250) = ( 0.4042137 0.5957862 -0.4042138), wk = 0.0022523 k( 251) = ( 0.3985793 0.6014207 -0.3985793), wk = 0.0022523 k( 252) = ( 0.3929448 0.6070552 -0.3929448), wk = 0.0022523 k( 253) = ( 0.3873103 0.6126897 -0.3873103), wk = 0.0022523 k( 254) = ( 0.3816758 0.6183242 -0.3816758), wk = 0.0022523 k( 255) = ( 0.3760413 0.6239587 -0.3760413), wk = 0.0022523 k( 256) = ( 0.3704068 0.6295932 -0.3704068), wk = 0.0022523 k( 257) = ( 0.3647724 0.6352276 -0.3647724), wk = 0.0022523 k( 258) = ( 0.3591379 0.6408621 -0.3591379), wk = 0.0022523 k( 259) = ( 0.3535034 0.6464966 -0.3535034), wk = 0.0022523 k( 260) = ( 0.3478689 0.6521311 -0.3478689), wk = 0.0022523 k( 261) = ( 0.3422344 0.6577656 -0.3422344), wk = 0.0022523 k( 262) = ( 0.3422344 0.6577656 -0.3422344), wk = 0.0022523 k( 263) = ( 0.3315396 0.6528354 -0.3315396), wk = 0.0022523 k( 264) = ( 0.3208448 0.6479052 -0.3208448), wk = 0.0022523 k( 265) = ( 0.3101499 0.6429751 -0.3101499), wk = 0.0022523 k( 266) = ( 0.2994551 0.6380449 -0.2994551), wk = 0.0022523 k( 267) = ( 0.2887603 0.6331147 -0.2887603), wk = 0.0022523 k( 268) = ( 0.2780655 0.6281845 -0.2780655), wk = 0.0022523 k( 269) = ( 0.2673706 0.6232544 -0.2673706), wk = 0.0022523 k( 270) = ( 0.2566758 0.6183242 -0.2566758), wk = 0.0022523 k( 271) = ( 0.2459810 0.6133940 -0.2459810), wk = 0.0022523 k( 272) = ( 0.2352862 0.6084638 -0.2352862), wk = 0.0022523 k( 273) = ( 0.2245913 0.6035337 -0.2245913), wk = 0.0022523 k( 274) = ( 0.2138965 0.5986035 -0.2138965), wk = 0.0022523 k( 275) = ( 0.2032017 0.5936733 -0.2032017), wk = 0.0022523 k( 276) = ( 0.1925069 0.5887431 -0.1925069), wk = 0.0022523 k( 277) = ( 0.1818120 0.5838130 -0.1818120), wk = 0.0022523 k( 278) = ( 0.1711172 0.5788828 -0.1711172), wk = 0.0022523 k( 279) = ( 0.1604224 0.5739526 -0.1604224), wk = 0.0022523 k( 280) = ( 0.1497276 0.5690224 -0.1497276), wk = 0.0022523 k( 281) = ( 0.1390327 0.5640923 -0.1390327), wk = 0.0022523 k( 282) = ( 0.1283379 0.5591621 -0.1283379), wk = 0.0022523 k( 283) = ( 0.1176431 0.5542319 -0.1176431), wk = 0.0022523 k( 284) = ( 0.1069483 0.5493017 -0.1069483), wk = 0.0022523 k( 285) = ( 0.0962534 0.5443716 -0.0962534), wk = 0.0022523 k( 286) = ( 0.0855586 0.5394414 -0.0855586), wk = 0.0022523 k( 287) = ( 0.0748638 0.5345112 -0.0748638), wk = 0.0022523 k( 288) = ( 0.0641690 0.5295810 -0.0641690), wk = 0.0022523 k( 289) = ( 0.0534741 0.5246509 -0.0534741), wk = 0.0022523 k( 290) = ( 0.0427793 0.5197207 -0.0427793), wk = 0.0022523 k( 291) = ( 0.0320845 0.5147905 -0.0320845), wk = 0.0022523 k( 292) = ( 0.0213896 0.5098603 -0.0213897), wk = 0.0022523 k( 293) = ( 0.0106948 0.5049302 -0.0106948), wk = 0.0022523 k( 294) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 295) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 296) = ( 0.0056818 0.4943182 0.0056818), wk = 0.0022523 k( 297) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0022523 k( 298) = ( 0.0170455 0.4829545 0.0170454), wk = 0.0022523 k( 299) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0022523 k( 300) = ( 0.0284091 0.4715909 0.0284091), wk = 0.0022523 k( 301) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0022523 k( 302) = ( 0.0397727 0.4602273 0.0397727), wk = 0.0022523 k( 303) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0022523 k( 304) = ( 0.0511364 0.4488636 0.0511364), wk = 0.0022523 k( 305) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0022523 k( 306) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0022523 k( 307) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0022523 k( 308) = ( 0.0738636 0.4261364 0.0738636), wk = 0.0022523 k( 309) = ( 0.0795455 0.4204546 0.0795454), wk = 0.0022523 k( 310) = ( 0.0852273 0.4147727 0.0852273), wk = 0.0022523 k( 311) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0022523 k( 312) = ( 0.0965909 0.4034091 0.0965909), wk = 0.0022523 k( 313) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0022523 k( 314) = ( 0.1079545 0.3920455 0.1079545), wk = 0.0022523 k( 315) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0022523 k( 316) = ( 0.1193182 0.3806818 0.1193182), wk = 0.0022523 k( 317) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022523 k( 318) = ( 0.1306818 0.3693182 0.1306818), wk = 0.0022523 k( 319) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0022523 k( 320) = ( 0.1420454 0.3579545 0.1420455), wk = 0.0022523 k( 321) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0022523 k( 322) = ( 0.1534091 0.3465909 0.1534091), wk = 0.0022523 k( 323) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0022523 k( 324) = ( 0.1647727 0.3352273 0.1647727), wk = 0.0022523 k( 325) = ( 0.1704546 0.3295455 0.1704545), wk = 0.0022523 k( 326) = ( 0.1761364 0.3238636 0.1761364), wk = 0.0022523 k( 327) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0022523 k( 328) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0022523 k( 329) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0022523 k( 330) = ( 0.1988636 0.3011364 0.1988636), wk = 0.0022523 k( 331) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0022523 k( 332) = ( 0.2102273 0.2897727 0.2102273), wk = 0.0022523 k( 333) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0022523 k( 334) = ( 0.2215909 0.2784091 0.2215909), wk = 0.0022523 k( 335) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0022523 k( 336) = ( 0.2329546 0.2670455 0.2329545), wk = 0.0022523 k( 337) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0022523 k( 338) = ( 0.2443182 0.2556818 0.2443182), wk = 0.0022523 k( 339) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022523 k( 340) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022523 k( 341) = ( 0.2571429 0.2571429 0.2375866), wk = 0.0022523 k( 342) = ( 0.2642857 0.2642857 0.2251732), wk = 0.0022523 k( 343) = ( 0.2714286 0.2714286 0.2127598), wk = 0.0022523 k( 344) = ( 0.2785714 0.2785714 0.2003464), wk = 0.0022523 k( 345) = ( 0.2857143 0.2857143 0.1879330), wk = 0.0022523 k( 346) = ( 0.2928571 0.2928571 0.1755196), wk = 0.0022523 k( 347) = ( 0.3000000 0.3000000 0.1631062), wk = 0.0022523 k( 348) = ( 0.3071429 0.3071429 0.1506928), wk = 0.0022523 k( 349) = ( 0.3142857 0.3142857 0.1382794), wk = 0.0022523 k( 350) = ( 0.3214286 0.3214286 0.1258660), wk = 0.0022523 k( 351) = ( 0.3285714 0.3285714 0.1134526), wk = 0.0022523 k( 352) = ( 0.3357143 0.3357143 0.1010393), wk = 0.0022523 k( 353) = ( 0.3428571 0.3428571 0.0886259), wk = 0.0022523 k( 354) = ( 0.3500000 0.3500000 0.0762125), wk = 0.0022523 k( 355) = ( 0.3571429 0.3571429 0.0637991), wk = 0.0022523 k( 356) = ( 0.3642857 0.3642857 0.0513857), wk = 0.0022523 k( 357) = ( 0.3714286 0.3714286 0.0389723), wk = 0.0022523 k( 358) = ( 0.3785714 0.3785714 0.0265589), wk = 0.0022523 k( 359) = ( 0.3857143 0.3857143 0.0141455), wk = 0.0022523 k( 360) = ( 0.3928571 0.3928571 0.0017321), wk = 0.0022523 k( 361) = ( 0.4000000 0.4000000 -0.0106813), wk = 0.0022523 k( 362) = ( 0.4071429 0.4071429 -0.0230947), wk = 0.0022523 k( 363) = ( 0.4142857 0.4142857 -0.0355081), wk = 0.0022523 k( 364) = ( 0.4214286 0.4214286 -0.0479215), wk = 0.0022523 k( 365) = ( 0.4285714 0.4285714 -0.0603349), wk = 0.0022523 k( 366) = ( 0.4357143 0.4357143 -0.0727483), wk = 0.0022523 k( 367) = ( 0.4428571 0.4428571 -0.0851617), wk = 0.0022523 k( 368) = ( 0.4500000 0.4500000 -0.0975751), wk = 0.0022523 k( 369) = ( 0.4571429 0.4571429 -0.1099885), wk = 0.0022523 k( 370) = ( 0.4642857 0.4642857 -0.1224019), wk = 0.0022523 k( 371) = ( 0.4714286 0.4714286 -0.1348153), wk = 0.0022523 k( 372) = ( 0.4785714 0.4785714 -0.1472287), wk = 0.0022523 k( 373) = ( 0.4857143 0.4857143 -0.1596421), wk = 0.0022523 k( 374) = ( 0.4928571 0.4928571 -0.1720554), wk = 0.0022523 k( 375) = ( 0.5000000 0.5000000 -0.1844688), wk = 0.0022523 k( 376) = ( 0.5000000 0.5000000 -0.1844688), wk = 0.0022523 k( 377) = ( 0.5000000 0.5000000 -0.1923571), wk = 0.0022523 k( 378) = ( 0.5000000 0.5000000 -0.2002454), wk = 0.0022523 k( 379) = ( 0.5000000 0.5000000 -0.2081337), wk = 0.0022523 k( 380) = ( 0.5000000 0.5000000 -0.2160220), wk = 0.0022523 k( 381) = ( 0.5000000 0.5000000 -0.2239102), wk = 0.0022523 k( 382) = ( 0.5000000 0.5000000 -0.2317985), wk = 0.0022523 k( 383) = ( 0.5000000 0.5000000 -0.2396868), wk = 0.0022523 k( 384) = ( 0.5000000 0.5000000 -0.2475751), wk = 0.0022523 k( 385) = ( 0.5000000 0.5000000 -0.2554633), wk = 0.0022523 k( 386) = ( 0.5000000 0.5000000 -0.2633516), wk = 0.0022523 k( 387) = ( 0.5000000 0.5000000 -0.2712399), wk = 0.0022523 k( 388) = ( 0.5000000 0.5000000 -0.2791282), wk = 0.0022523 k( 389) = ( 0.5000000 0.5000000 -0.2870165), wk = 0.0022523 k( 390) = ( 0.5000000 0.5000000 -0.2949047), wk = 0.0022523 k( 391) = ( 0.5000000 0.5000000 -0.3027930), wk = 0.0022523 k( 392) = ( 0.5000000 0.5000000 -0.3106813), wk = 0.0022523 k( 393) = ( 0.5000000 0.5000000 -0.3185696), wk = 0.0022523 k( 394) = ( 0.5000000 0.5000000 -0.3264579), wk = 0.0022523 k( 395) = ( 0.5000000 0.5000000 -0.3343461), wk = 0.0022523 k( 396) = ( 0.5000000 0.5000000 -0.3422344), wk = 0.0022523 k( 397) = ( 0.5000000 0.5000000 -0.3501227), wk = 0.0022523 k( 398) = ( 0.5000000 0.5000000 -0.3580110), wk = 0.0022523 k( 399) = ( 0.5000000 0.5000000 -0.3658993), wk = 0.0022523 k( 400) = ( 0.5000000 0.5000000 -0.3737875), wk = 0.0022523 k( 401) = ( 0.5000000 0.5000000 -0.3816758), wk = 0.0022523 k( 402) = ( 0.5000000 0.5000000 -0.3895641), wk = 0.0022523 k( 403) = ( 0.5000000 0.5000000 -0.3974524), wk = 0.0022523 k( 404) = ( 0.5000000 0.5000000 -0.4053407), wk = 0.0022523 k( 405) = ( 0.5000000 0.5000000 -0.4132289), wk = 0.0022523 k( 406) = ( 0.5000000 0.5000000 -0.4211172), wk = 0.0022523 k( 407) = ( 0.5000000 0.5000000 -0.4290055), wk = 0.0022523 k( 408) = ( 0.5000000 0.5000000 -0.4368938), wk = 0.0022523 k( 409) = ( 0.5000000 0.5000000 -0.4447820), wk = 0.0022523 k( 410) = ( 0.5000000 0.5000000 -0.4526703), wk = 0.0022523 k( 411) = ( 0.5000000 0.5000000 -0.4605586), wk = 0.0022523 k( 412) = ( 0.5000000 0.5000000 -0.4684469), wk = 0.0022523 k( 413) = ( 0.5000000 0.5000000 -0.4763352), wk = 0.0022523 k( 414) = ( 0.5000000 0.5000000 -0.4842234), wk = 0.0022523 k( 415) = ( 0.5000000 0.5000000 -0.4921117), wk = 0.0022523 k( 416) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022523 k( 417) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 418) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0022523 k( 419) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0022523 k( 420) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0022523 k( 421) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0022523 k( 422) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0022523 k( 423) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0022523 k( 424) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0022523 k( 425) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0022523 k( 426) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0022523 k( 427) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0022523 k( 428) = ( 0.1018518 0.1018518 0.3981481), wk = 0.0022523 k( 429) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0022523 k( 430) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0022523 k( 431) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0022523 k( 432) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0022523 k( 433) = ( 0.1481482 0.1481481 0.3518519), wk = 0.0022523 k( 434) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0022523 k( 435) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022523 k( 436) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0022523 k( 437) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0022523 k( 438) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0022523 k( 439) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0022523 k( 440) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0022523 k( 441) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0022523 k( 442) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0022523 k( 443) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0022523 k( 444) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022523 Dense grid: 25769 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 11237 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 96, 40) NL pseudopotentials 0.06 Mb ( 48, 84) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 805) G-vector shells 0.00 Mb ( 374) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 96, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.10 Mb ( 84, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./CO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.1 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 11.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.0 secs Computing kpt #: 24 total cpu time spent up to now is 16.5 secs Computing kpt #: 25 total cpu time spent up to now is 17.1 secs Computing kpt #: 26 total cpu time spent up to now is 17.7 secs Computing kpt #: 27 total cpu time spent up to now is 18.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.0 secs Computing kpt #: 31 total cpu time spent up to now is 20.6 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.8 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 23.0 secs Computing kpt #: 36 total cpu time spent up to now is 23.6 secs Computing kpt #: 37 total cpu time spent up to now is 24.3 secs Computing kpt #: 38 total cpu time spent up to now is 24.9 secs Computing kpt #: 39 total cpu time spent up to now is 25.5 secs Computing kpt #: 40 total cpu time spent up to now is 26.1 secs Computing kpt #: 41 total cpu time spent up to now is 26.7 secs Computing kpt #: 42 total cpu time spent up to now is 27.3 secs Computing kpt #: 43 total cpu time spent up to now is 27.9 secs Computing kpt #: 44 total cpu time spent up to now is 28.5 secs Computing kpt #: 45 total cpu time spent up to now is 29.1 secs Computing kpt #: 46 total cpu time spent up to now is 29.7 secs Computing kpt #: 47 total cpu time spent up to now is 30.4 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.8 secs Computing kpt #: 52 total cpu time spent up to now is 33.4 secs Computing kpt #: 53 total cpu time spent up to now is 34.0 secs Computing kpt #: 54 total cpu time spent up to now is 34.7 secs Computing kpt #: 55 total cpu time spent up to now is 35.3 secs Computing kpt #: 56 total cpu time spent up to now is 35.9 secs Computing kpt #: 57 total cpu time spent up to now is 36.5 secs Computing kpt #: 58 total cpu time spent up to now is 37.1 secs Computing kpt #: 59 total cpu time spent up to now is 37.7 secs Computing kpt #: 60 total cpu time spent up to now is 38.4 secs Computing kpt #: 61 total cpu time spent up to now is 39.0 secs Computing kpt #: 62 total cpu time spent up to now is 39.6 secs Computing kpt #: 63 total cpu time spent up to now is 40.2 secs Computing kpt #: 64 total cpu time spent up to now is 40.8 secs Computing kpt #: 65 total cpu time spent up to now is 41.4 secs Computing kpt #: 66 total cpu time spent up to now is 42.0 secs Computing kpt #: 67 total cpu time spent up to now is 42.6 secs Computing kpt #: 68 total cpu time spent up to now is 43.2 secs Computing kpt #: 69 total cpu time spent up to now is 43.8 secs Computing kpt #: 70 total cpu time spent up to now is 44.4 secs Computing kpt #: 71 total cpu time spent up to now is 45.0 secs Computing kpt #: 72 total cpu time spent up to now is 45.6 secs Computing kpt #: 73 total cpu time spent up to now is 46.2 secs Computing kpt #: 74 total cpu time spent up to now is 46.8 secs Computing kpt #: 75 total cpu time spent up to now is 47.4 secs Computing kpt #: 76 total cpu time spent up to now is 48.0 secs Computing kpt #: 77 total cpu time spent up to now is 48.7 secs Computing kpt #: 78 total cpu time spent up to now is 49.3 secs Computing kpt #: 79 total cpu time spent up to now is 49.9 secs Computing kpt #: 80 total cpu time spent up to now is 50.5 secs Computing kpt #: 81 total cpu time spent up to now is 51.1 secs Computing kpt #: 82 total cpu time spent up to now is 51.7 secs Computing kpt #: 83 total cpu time spent up to now is 52.4 secs Computing kpt #: 84 total cpu time spent up to now is 53.0 secs Computing kpt #: 85 total cpu time spent up to now is 53.6 secs Computing kpt #: 86 total cpu time spent up to now is 54.2 secs Computing kpt #: 87 total cpu time spent up to now is 54.8 secs Computing kpt #: 88 total cpu time spent up to now is 55.4 secs Computing kpt #: 89 total cpu time spent up to now is 56.1 secs Computing kpt #: 90 total cpu time spent up to now is 56.7 secs Computing kpt #: 91 total cpu time spent up to now is 57.3 secs Computing kpt #: 92 total cpu time spent up to now is 58.0 secs Computing kpt #: 93 total cpu time spent up to now is 58.6 secs Computing kpt #: 94 total cpu time spent up to now is 59.2 secs Computing kpt #: 95 total cpu time spent up to now is 59.9 secs Computing kpt #: 96 total cpu time spent up to now is 60.5 secs Computing kpt #: 97 total cpu time spent up to now is 61.2 secs Computing kpt #: 98 total cpu time spent up to now is 61.9 secs Computing kpt #: 99 total cpu time spent up to now is 62.7 secs Computing kpt #: 100 total cpu time spent up to now is 63.5 secs Computing kpt #: 101 total cpu time spent up to now is 64.2 secs Computing kpt #: 102 total cpu time spent up to now is 64.9 secs Computing kpt #: 103 total cpu time spent up to now is 65.6 secs Computing kpt #: 104 total cpu time spent up to now is 66.5 secs Computing kpt #: 105 total cpu time spent up to now is 67.3 secs Computing kpt #: 106 total cpu time spent up to now is 68.0 secs Computing kpt #: 107 total cpu time spent up to now is 68.9 secs Computing kpt #: 108 total cpu time spent up to now is 69.7 secs Computing kpt #: 109 total cpu time spent up to now is 70.5 secs Computing kpt #: 110 total cpu time spent up to now is 71.4 secs Computing kpt #: 111 total cpu time spent up to now is 72.3 secs Computing kpt #: 112 total cpu time spent up to now is 73.1 secs Computing kpt #: 113 total cpu time spent up to now is 74.1 secs Computing kpt #: 114 total cpu time spent up to now is 74.8 secs Computing kpt #: 115 total cpu time spent up to now is 75.8 secs Computing kpt #: 116 total cpu time spent up to now is 77.0 secs Computing kpt #: 117 total cpu time spent up to now is 77.7 secs Computing kpt #: 118 total cpu time spent up to now is 78.9 secs Computing kpt #: 119 total cpu time spent up to now is 79.9 secs Computing kpt #: 120 total cpu time spent up to now is 80.9 secs Computing kpt #: 121 total cpu time spent up to now is 81.8 secs Computing kpt #: 122 total cpu time spent up to now is 82.8 secs Computing kpt #: 123 total cpu time spent up to now is 83.6 secs Computing kpt #: 124 total cpu time spent up to now is 84.4 secs Computing kpt #: 125 total cpu time spent up to now is 85.3 secs Computing kpt #: 126 total cpu time spent up to now is 86.2 secs Computing kpt #: 127 total cpu time spent up to now is 86.9 secs Computing kpt #: 128 total cpu time spent up to now is 87.8 secs Computing kpt #: 129 total cpu time spent up to now is 88.5 secs Computing kpt #: 130 total cpu time spent up to now is 89.3 secs Computing kpt #: 131 total cpu time spent up to now is 90.1 secs Computing kpt #: 132 total cpu time spent up to now is 90.8 secs Computing kpt #: 133 total cpu time spent up to now is 91.5 secs Computing kpt #: 134 total cpu time spent up to now is 92.1 secs Computing kpt #: 135 total cpu time spent up to now is 92.7 secs Computing kpt #: 136 total cpu time spent up to now is 93.3 secs Computing kpt #: 137 total cpu time spent up to now is 93.9 secs Computing kpt #: 138 total cpu time spent up to now is 94.5 secs Computing kpt #: 139 total cpu time spent up to now is 95.1 secs Computing kpt #: 140 total cpu time spent up to now is 95.7 secs Computing kpt #: 141 total cpu time spent up to now is 96.3 secs Computing kpt #: 142 total cpu time spent up to now is 96.8 secs Computing kpt #: 143 total cpu time spent up to now is 97.4 secs Computing kpt #: 144 total cpu time spent up to now is 98.0 secs Computing kpt #: 145 total cpu time spent up to now is 98.6 secs Computing kpt #: 146 total cpu time spent up to now is 99.2 secs Computing kpt #: 147 total cpu time spent up to now is 99.8 secs Computing kpt #: 148 total cpu time spent up to now is 100.3 secs Computing kpt #: 149 total cpu time spent up to now is 100.9 secs Computing kpt #: 150 total cpu time spent up to now is 101.5 secs Computing kpt #: 151 total cpu time spent up to now is 102.0 secs Computing kpt #: 152 total cpu time spent up to now is 102.6 secs Computing kpt #: 153 total cpu time spent up to now is 103.1 secs Computing kpt #: 154 total cpu time spent up to now is 103.7 secs Computing kpt #: 155 total cpu time spent up to now is 104.2 secs Computing kpt #: 156 total cpu time spent up to now is 104.7 secs Computing kpt #: 157 total cpu time spent up to now is 105.3 secs Computing kpt #: 158 total cpu time spent up to now is 105.8 secs Computing kpt #: 159 total cpu time spent up to now is 106.3 secs Computing kpt #: 160 total cpu time spent up to now is 106.9 secs Computing kpt #: 161 total cpu time spent up to now is 107.4 secs Computing kpt #: 162 total cpu time spent up to now is 108.0 secs Computing kpt #: 163 total cpu time spent up to now is 108.5 secs Computing kpt #: 164 total cpu time spent up to now is 109.0 secs Computing kpt #: 165 total cpu time spent up to now is 109.6 secs Computing kpt #: 166 total cpu time spent up to now is 110.1 secs Computing kpt #: 167 total cpu time spent up to now is 110.6 secs Computing kpt #: 168 total cpu time spent up to now is 111.1 secs Computing kpt #: 169 total cpu time spent up to now is 111.6 secs Computing kpt #: 170 total cpu time spent up to now is 112.1 secs Computing kpt #: 171 total cpu time spent up to now is 112.6 secs Computing kpt #: 172 total cpu time spent up to now is 113.1 secs Computing kpt #: 173 total cpu time spent up to now is 113.5 secs Computing kpt #: 174 total cpu time spent up to now is 114.0 secs Computing kpt #: 175 total cpu time spent up to now is 114.5 secs Computing kpt #: 176 total cpu time spent up to now is 115.0 secs Computing kpt #: 177 total cpu time spent up to now is 115.4 secs Computing kpt #: 178 total cpu time spent up to now is 115.9 secs Computing kpt #: 179 total cpu time spent up to now is 116.4 secs Computing kpt #: 180 total cpu time spent up to now is 117.0 secs Computing kpt #: 181 total cpu time spent up to now is 117.5 secs Computing kpt #: 182 total cpu time spent up to now is 118.0 secs Computing kpt #: 183 total cpu time spent up to now is 118.5 secs Computing kpt #: 184 total cpu time spent up to now is 119.0 secs Computing kpt #: 185 total cpu time spent up to now is 119.5 secs Computing kpt #: 186 total cpu time spent up to now is 120.0 secs Computing kpt #: 187 total cpu time spent up to now is 120.5 secs Computing kpt #: 188 total cpu time spent up to now is 121.1 secs Computing kpt #: 189 total cpu time spent up to now is 121.6 secs Computing kpt #: 190 total cpu time spent up to now is 122.1 secs Computing kpt #: 191 total cpu time spent up to now is 122.7 secs Computing kpt #: 192 total cpu time spent up to now is 123.2 secs Computing kpt #: 193 total cpu time spent up to now is 123.8 secs Computing kpt #: 194 total cpu time spent up to now is 124.4 secs Computing kpt #: 195 total cpu time spent up to now is 125.0 secs Computing kpt #: 196 total cpu time spent up to now is 125.5 secs Computing kpt #: 197 total cpu time spent up to now is 126.2 secs Computing kpt #: 198 total cpu time spent up to now is 126.7 secs Computing kpt #: 199 total cpu time spent up to now is 127.4 secs Computing kpt #: 200 total cpu time spent up to now is 128.0 secs Computing kpt #: 201 total cpu time spent up to now is 128.6 secs Computing kpt #: 202 total cpu time spent up to now is 129.2 secs Computing kpt #: 203 total cpu time spent up to now is 129.8 secs Computing kpt #: 204 total cpu time spent up to now is 130.6 secs Computing kpt #: 205 total cpu time spent up to now is 131.2 secs Computing kpt #: 206 total cpu time spent up to now is 131.9 secs Computing kpt #: 207 total cpu time spent up to now is 132.5 secs Computing kpt #: 208 total cpu time spent up to now is 133.1 secs Computing kpt #: 209 total cpu time spent up to now is 133.7 secs Computing kpt #: 210 total cpu time spent up to now is 134.3 secs Computing kpt #: 211 total cpu time spent up to now is 134.9 secs Computing kpt #: 212 total cpu time spent up to now is 135.4 secs Computing kpt #: 213 total cpu time spent up to now is 136.0 secs Computing kpt #: 214 total cpu time spent up to now is 136.6 secs Computing kpt #: 215 total cpu time spent up to now is 137.2 secs Computing kpt #: 216 total cpu time spent up to now is 137.8 secs Computing kpt #: 217 total cpu time spent up to now is 138.4 secs Computing kpt #: 218 total cpu time spent up to now is 139.0 secs Computing kpt #: 219 total cpu time spent up to now is 139.5 secs Computing kpt #: 220 total cpu time spent up to now is 140.1 secs Computing kpt #: 221 total cpu time spent up to now is 140.6 secs Computing kpt #: 222 total cpu time spent up to now is 141.1 secs Computing kpt #: 223 total cpu time spent up to now is 141.5 secs Computing kpt #: 224 total cpu time spent up to now is 142.1 secs Computing kpt #: 225 total cpu time spent up to now is 142.6 secs Computing kpt #: 226 total cpu time spent up to now is 143.1 secs Computing kpt #: 227 total cpu time spent up to now is 143.5 secs Computing kpt #: 228 total cpu time spent up to now is 144.1 secs Computing kpt #: 229 total cpu time spent up to now is 144.5 secs Computing kpt #: 230 total cpu time spent up to now is 145.1 secs Computing kpt #: 231 total cpu time spent up to now is 145.7 secs Computing kpt #: 232 total cpu time spent up to now is 146.2 secs Computing kpt #: 233 total cpu time spent up to now is 146.7 secs Computing kpt #: 234 total cpu time spent up to now is 147.2 secs Computing kpt #: 235 total cpu time spent up to now is 147.8 secs Computing kpt #: 236 total cpu time spent up to now is 148.3 secs Computing kpt #: 237 total cpu time spent up to now is 148.9 secs Computing kpt #: 238 total cpu time spent up to now is 149.4 secs Computing kpt #: 239 total cpu time spent up to now is 150.0 secs Computing kpt #: 240 total cpu time spent up to now is 150.5 secs Computing kpt #: 241 total cpu time spent up to now is 151.0 secs Computing kpt #: 242 total cpu time spent up to now is 151.6 secs Computing kpt #: 243 total cpu time spent up to now is 152.1 secs Computing kpt #: 244 total cpu time spent up to now is 152.7 secs Computing kpt #: 245 total cpu time spent up to now is 153.2 secs Computing kpt #: 246 total cpu time spent up to now is 153.7 secs Computing kpt #: 247 total cpu time spent up to now is 154.3 secs Computing kpt #: 248 total cpu time spent up to now is 154.8 secs Computing kpt #: 249 total cpu time spent up to now is 155.4 secs Computing kpt #: 250 total cpu time spent up to now is 156.0 secs Computing kpt #: 251 total cpu time spent up to now is 156.5 secs Computing kpt #: 252 total cpu time spent up to now is 157.1 secs Computing kpt #: 253 total cpu time spent up to now is 157.7 secs Computing kpt #: 254 total cpu time spent up to now is 158.3 secs Computing kpt #: 255 total cpu time spent up to now is 158.9 secs Computing kpt #: 256 total cpu time spent up to now is 159.5 secs Computing kpt #: 257 total cpu time spent up to now is 160.1 secs Computing kpt #: 258 total cpu time spent up to now is 160.8 secs Computing kpt #: 259 total cpu time spent up to now is 161.4 secs Computing kpt #: 260 total cpu time spent up to now is 162.0 secs Computing kpt #: 261 total cpu time spent up to now is 163.1 secs Computing kpt #: 262 total cpu time spent up to now is 164.0 secs Computing kpt #: 263 total cpu time spent up to now is 164.7 secs Computing kpt #: 264 total cpu time spent up to now is 165.8 secs Computing kpt #: 265 total cpu time spent up to now is 166.8 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.0 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.2 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.5 secs Computing kpt #: 269 total cpu time spent up to now is 171.6 secs Computing kpt #: 270 total cpu time spent up to now is 172.6 secs Computing kpt #: 271 total cpu time spent up to now is 173.3 secs Computing kpt #: 272 total cpu time spent up to now is 174.0 secs Computing kpt #: 273 total cpu time spent up to now is 174.8 secs Computing kpt #: 274 total cpu time spent up to now is 175.5 secs Computing kpt #: 275 total cpu time spent up to now is 176.3 secs Computing kpt #: 276 total cpu time spent up to now is 177.0 secs Computing kpt #: 277 total cpu time spent up to now is 177.6 secs Computing kpt #: 278 total cpu time spent up to now is 178.3 secs Computing kpt #: 279 total cpu time spent up to now is 178.9 secs Computing kpt #: 280 total cpu time spent up to now is 179.8 secs Computing kpt #: 281 total cpu time spent up to now is 181.5 secs Computing kpt #: 282 total cpu time spent up to now is 183.2 secs Computing kpt #: 283 total cpu time spent up to now is 184.3 secs Computing kpt #: 284 total cpu time spent up to now is 184.9 secs Computing kpt #: 285 total cpu time spent up to now is 185.5 secs Computing kpt #: 286 total cpu time spent up to now is 186.1 secs Computing kpt #: 287 total cpu time spent up to now is 186.8 secs Computing kpt #: 288 total cpu time spent up to now is 187.4 secs Computing kpt #: 289 total cpu time spent up to now is 187.9 secs Computing kpt #: 290 total cpu time spent up to now is 188.4 secs Computing kpt #: 291 total cpu time spent up to now is 189.0 secs Computing kpt #: 292 total cpu time spent up to now is 189.5 secs Computing kpt #: 293 total cpu time spent up to now is 190.0 secs Computing kpt #: 294 total cpu time spent up to now is 190.5 secs Computing kpt #: 295 total cpu time spent up to now is 191.1 secs Computing kpt #: 296 total cpu time spent up to now is 191.7 secs Computing kpt #: 297 total cpu time spent up to now is 192.3 secs Computing kpt #: 298 total cpu time spent up to now is 192.9 secs Computing kpt #: 299 total cpu time spent up to now is 193.5 secs Computing kpt #: 300 total cpu time spent up to now is 194.1 secs Computing kpt #: 301 total cpu time spent up to now is 194.7 secs Computing kpt #: 302 total cpu time spent up to now is 195.3 secs Computing kpt #: 303 total cpu time spent up to now is 195.9 secs Computing kpt #: 304 total cpu time spent up to now is 196.5 secs Computing kpt #: 305 total cpu time spent up to now is 197.1 secs Computing kpt #: 306 total cpu time spent up to now is 197.7 secs Computing kpt #: 307 total cpu time spent up to now is 198.3 secs Computing kpt #: 308 total cpu time spent up to now is 198.9 secs Computing kpt #: 309 total cpu time spent up to now is 199.4 secs Computing kpt #: 310 total cpu time spent up to now is 200.0 secs Computing kpt #: 311 total cpu time spent up to now is 200.5 secs Computing kpt #: 312 total cpu time spent up to now is 201.0 secs Computing kpt #: 313 total cpu time spent up to now is 201.6 secs Computing kpt #: 314 total cpu time spent up to now is 202.1 secs Computing kpt #: 315 total cpu time spent up to now is 202.7 secs Computing kpt #: 316 total cpu time spent up to now is 203.3 secs Computing kpt #: 317 total cpu time spent up to now is 203.8 secs Computing kpt #: 318 total cpu time spent up to now is 204.4 secs Computing kpt #: 319 total cpu time spent up to now is 204.9 secs Computing kpt #: 320 total cpu time spent up to now is 205.5 secs Computing kpt #: 321 total cpu time spent up to now is 206.1 secs Computing kpt #: 322 total cpu time spent up to now is 206.7 secs Computing kpt #: 323 total cpu time spent up to now is 207.3 secs Computing kpt #: 324 total cpu time spent up to now is 207.8 secs Computing kpt #: 325 total cpu time spent up to now is 208.4 secs Computing kpt #: 326 total cpu time spent up to now is 209.0 secs Computing kpt #: 327 total cpu time spent up to now is 209.6 secs Computing kpt #: 328 total cpu time spent up to now is 210.1 secs Computing kpt #: 329 total cpu time spent up to now is 210.6 secs Computing kpt #: 330 total cpu time spent up to now is 211.1 secs Computing kpt #: 331 total cpu time spent up to now is 211.6 secs Computing kpt #: 332 total cpu time spent up to now is 212.2 secs Computing kpt #: 333 total cpu time spent up to now is 212.7 secs Computing kpt #: 334 total cpu time spent up to now is 213.2 secs Computing kpt #: 335 total cpu time spent up to now is 213.7 secs Computing kpt #: 336 total cpu time spent up to now is 214.2 secs Computing kpt #: 337 total cpu time spent up to now is 214.7 secs Computing kpt #: 338 total cpu time spent up to now is 215.3 secs Computing kpt #: 339 total cpu time spent up to now is 215.8 secs Computing kpt #: 340 total cpu time spent up to now is 216.3 secs Computing kpt #: 341 total cpu time spent up to now is 216.8 secs Computing kpt #: 342 total cpu time spent up to now is 217.3 secs Computing kpt #: 343 total cpu time spent up to now is 217.9 secs Computing kpt #: 344 total cpu time spent up to now is 218.4 secs Computing kpt #: 345 total cpu time spent up to now is 218.9 secs Computing kpt #: 346 total cpu time spent up to now is 219.4 secs Computing kpt #: 347 total cpu time spent up to now is 220.0 secs Computing kpt #: 348 total cpu time spent up to now is 220.5 secs Computing kpt #: 349 total cpu time spent up to now is 221.0 secs Computing kpt #: 350 total cpu time spent up to now is 221.5 secs Computing kpt #: 351 total cpu time spent up to now is 222.1 secs Computing kpt #: 352 total cpu time spent up to now is 222.6 secs Computing kpt #: 353 total cpu time spent up to now is 223.1 secs Computing kpt #: 354 total cpu time spent up to now is 223.7 secs Computing kpt #: 355 total cpu time spent up to now is 224.2 secs Computing kpt #: 356 total cpu time spent up to now is 224.7 secs Computing kpt #: 357 total cpu time spent up to now is 225.3 secs Computing kpt #: 358 total cpu time spent up to now is 225.8 secs Computing kpt #: 359 total cpu time spent up to now is 226.4 secs Computing kpt #: 360 total cpu time spent up to now is 226.9 secs Computing kpt #: 361 total cpu time spent up to now is 227.5 secs Computing kpt #: 362 total cpu time spent up to now is 228.1 secs Computing kpt #: 363 total cpu time spent up to now is 228.7 secs Computing kpt #: 364 total cpu time spent up to now is 229.2 secs Computing kpt #: 365 total cpu time spent up to now is 229.8 secs Computing kpt #: 366 total cpu time spent up to now is 230.4 secs Computing kpt #: 367 total cpu time spent up to now is 231.0 secs Computing kpt #: 368 total cpu time spent up to now is 231.6 secs Computing kpt #: 369 total cpu time spent up to now is 232.3 secs Computing kpt #: 370 total cpu time spent up to now is 232.9 secs Computing kpt #: 371 total cpu time spent up to now is 233.5 secs Computing kpt #: 372 total cpu time spent up to now is 234.1 secs Computing kpt #: 373 total cpu time spent up to now is 234.8 secs Computing kpt #: 374 total cpu time spent up to now is 235.4 secs Computing kpt #: 375 total cpu time spent up to now is 236.1 secs Computing kpt #: 376 total cpu time spent up to now is 236.7 secs Computing kpt #: 377 total cpu time spent up to now is 237.3 secs Computing kpt #: 378 total cpu time spent up to now is 237.9 secs Computing kpt #: 379 total cpu time spent up to now is 238.5 secs Computing kpt #: 380 total cpu time spent up to now is 239.2 secs Computing kpt #: 381 total cpu time spent up to now is 239.8 secs Computing kpt #: 382 total cpu time spent up to now is 240.4 secs Computing kpt #: 383 total cpu time spent up to now is 241.0 secs Computing kpt #: 384 total cpu time spent up to now is 241.7 secs Computing kpt #: 385 total cpu time spent up to now is 242.3 secs Computing kpt #: 386 total cpu time spent up to now is 242.9 secs Computing kpt #: 387 total cpu time spent up to now is 243.5 secs Computing kpt #: 388 total cpu time spent up to now is 244.1 secs Computing kpt #: 389 total cpu time spent up to now is 244.7 secs Computing kpt #: 390 total cpu time spent up to now is 245.3 secs Computing kpt #: 391 total cpu time spent up to now is 245.9 secs Computing kpt #: 392 total cpu time spent up to now is 246.5 secs Computing kpt #: 393 total cpu time spent up to now is 247.1 secs Computing kpt #: 394 total cpu time spent up to now is 247.7 secs Computing kpt #: 395 total cpu time spent up to now is 248.3 secs Computing kpt #: 396 total cpu time spent up to now is 248.9 secs Computing kpt #: 397 total cpu time spent up to now is 249.4 secs Computing kpt #: 398 total cpu time spent up to now is 250.0 secs Computing kpt #: 399 total cpu time spent up to now is 250.6 secs Computing kpt #: 400 total cpu time spent up to now is 251.1 secs Computing kpt #: 401 total cpu time spent up to now is 251.7 secs Computing kpt #: 402 total cpu time spent up to now is 252.2 secs Computing kpt #: 403 total cpu time spent up to now is 252.8 secs Computing kpt #: 404 total cpu time spent up to now is 253.4 secs Computing kpt #: 405 total cpu time spent up to now is 253.9 secs Computing kpt #: 406 total cpu time spent up to now is 254.5 secs Computing kpt #: 407 total cpu time spent up to now is 255.1 secs Computing kpt #: 408 total cpu time spent up to now is 255.6 secs Computing kpt #: 409 total cpu time spent up to now is 256.1 secs Computing kpt #: 410 total cpu time spent up to now is 256.7 secs Computing kpt #: 411 total cpu time spent up to now is 257.2 secs Computing kpt #: 412 total cpu time spent up to now is 257.7 secs Computing kpt #: 413 total cpu time spent up to now is 258.2 secs Computing kpt #: 414 total cpu time spent up to now is 258.8 secs Computing kpt #: 415 total cpu time spent up to now is 259.3 secs Computing kpt #: 416 total cpu time spent up to now is 259.8 secs Computing kpt #: 417 total cpu time spent up to now is 260.4 secs Computing kpt #: 418 total cpu time spent up to now is 261.1 secs Computing kpt #: 419 total cpu time spent up to now is 261.7 secs Computing kpt #: 420 total cpu time spent up to now is 262.3 secs Computing kpt #: 421 total cpu time spent up to now is 262.9 secs Computing kpt #: 422 total cpu time spent up to now is 263.5 secs Computing kpt #: 423 total cpu time spent up to now is 264.1 secs Computing kpt #: 424 total cpu time spent up to now is 264.7 secs Computing kpt #: 425 total cpu time spent up to now is 265.3 secs Computing kpt #: 426 total cpu time spent up to now is 265.9 secs Computing kpt #: 427 total cpu time spent up to now is 266.4 secs Computing kpt #: 428 total cpu time spent up to now is 267.0 secs Computing kpt #: 429 total cpu time spent up to now is 267.5 secs Computing kpt #: 430 total cpu time spent up to now is 268.1 secs Computing kpt #: 431 total cpu time spent up to now is 268.6 secs Computing kpt #: 432 total cpu time spent up to now is 269.1 secs Computing kpt #: 433 total cpu time spent up to now is 269.7 secs Computing kpt #: 434 total cpu time spent up to now is 270.2 secs Computing kpt #: 435 total cpu time spent up to now is 270.7 secs Computing kpt #: 436 total cpu time spent up to now is 271.3 secs Computing kpt #: 437 total cpu time spent up to now is 271.8 secs Computing kpt #: 438 total cpu time spent up to now is 272.3 secs Computing kpt #: 439 total cpu time spent up to now is 272.8 secs Computing kpt #: 440 total cpu time spent up to now is 273.3 secs Computing kpt #: 441 total cpu time spent up to now is 273.9 secs Computing kpt #: 442 total cpu time spent up to now is 274.4 secs Computing kpt #: 443 total cpu time spent up to now is 274.9 secs Computing kpt #: 444 total cpu time spent up to now is 275.4 secs ethr = 3.13E-11, avg # of iterations = 36.2 total cpu time spent up to now is 275.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1405 PWs) bands (ev): -16.8552 -16.8552 -11.0065 -11.0065 -11.0060 -11.0060 -10.2362 -10.2362 -5.7655 -5.7655 -1.5815 -1.5815 -1.5798 -1.5798 -0.1696 -0.1696 2.7846 2.7846 2.8506 2.8506 4.8552 4.8552 6.0014 6.0014 6.0121 6.0121 7.8709 7.8709 7.8983 7.8983 8.2705 8.2705 15.3896 15.3896 18.3999 18.3999 18.4091 18.4091 18.4182 18.4182 k = 0.0000 0.0000 0.0124 ( 1395 PWs) bands (ev): -16.8544 -16.8544 -11.0080 -11.0079 -11.0066 -11.0066 -10.2366 -10.2365 -5.7642 -5.7642 -1.5829 -1.5829 -1.5797 -1.5796 -0.1680 -0.1678 2.7866 2.7868 2.8495 2.8498 4.8563 4.8565 6.0019 6.0020 6.0124 6.0127 7.8687 7.8699 7.8967 7.8968 8.2687 8.2699 15.3916 15.3917 18.3975 18.4000 18.4103 18.4111 18.4174 18.4212 k = 0.0000 0.0000 0.0248 ( 1395 PWs) bands (ev): -16.8520 -16.8520 -11.0129 -11.0128 -11.0080 -11.0080 -10.2377 -10.2376 -5.7606 -5.7606 -1.5887 -1.5886 -1.5776 -1.5774 -0.1632 -0.1627 2.7928 2.7931 2.8465 2.8471 4.8599 4.8604 6.0030 6.0033 6.0139 6.0144 7.8622 7.8649 7.8925 7.8928 8.2641 8.2666 15.3979 15.3981 18.3950 18.3983 18.4117 18.4137 18.4207 18.4269 k = 0.0000 0.0000 0.0371 ( 1399 PWs) bands (ev): -16.8481 -16.8481 -11.0211 -11.0210 -11.0102 -11.0101 -10.2396 -10.2395 -5.7546 -5.7545 -1.5986 -1.5983 -1.5737 -1.5735 -0.1551 -0.1544 2.8031 2.8036 2.8417 2.8425 4.8660 4.8667 6.0046 6.0053 6.0169 6.0174 7.8502 7.8544 7.8872 7.8880 8.2569 8.2605 15.4084 15.4087 18.3931 18.3965 18.4123 18.4136 18.4294 18.4355 k = 0.0000 0.0000 0.0495 ( 1399 PWs) bands (ev): -16.8426 -16.8425 -11.0325 -11.0323 -11.0132 -11.0131 -10.2422 -10.2421 -5.7462 -5.7461 -1.6121 -1.6117 -1.5683 -1.5680 -0.1439 -0.1430 2.8175 2.8182 2.8349 2.8360 4.8746 4.8755 6.0064 6.0075 6.0216 6.0219 7.8319 7.8373 7.8821 7.8832 8.2470 8.2517 15.4230 15.4234 18.3919 18.3951 18.4123 18.4128 18.4412 18.4466 k = 0.0000 0.0000 0.0619 ( 1395 PWs) bands (ev): -16.8355 -16.8354 -11.0470 -11.0468 -11.0170 -11.0170 -10.2457 -10.2456 -5.7354 -5.7352 -1.6292 -1.6287 -1.5613 -1.5609 -0.1297 -0.1286 2.8262 2.8275 2.8360 2.8369 4.8856 4.8867 6.0083 6.0100 6.0280 6.0282 7.8077 7.8140 7.8772 7.8784 8.2345 8.2402 15.4416 15.4422 18.3912 18.3940 18.4120 18.4121 18.4553 18.4602 k = 0.0000 0.0000 0.0743 ( 1397 PWs) bands (ev): -16.8268 -16.8268 -11.0645 -11.0643 -11.0217 -11.0217 -10.2500 -10.2499 -5.7224 -5.7222 -1.6495 -1.6490 -1.5527 -1.5522 -0.1127 -0.1114 2.8156 2.8172 2.8584 2.8594 4.8990 4.9003 6.0106 6.0127 6.0360 6.0360 7.7779 7.7850 7.8722 7.8734 8.2193 8.2258 15.4641 15.4648 18.3908 18.3932 18.4112 18.4119 18.4715 18.4758 k = 0.0000 0.0000 0.0866 ( 1401 PWs) bands (ev): -16.8166 -16.8166 -11.0850 -11.0847 -11.0272 -11.0271 -10.2553 -10.2551 -5.7071 -5.7068 -1.6730 -1.6724 -1.5425 -1.5420 -0.0931 -0.0917 2.8031 2.8050 2.8846 2.8858 4.9148 4.9163 6.0133 6.0159 6.0452 6.0453 7.7432 7.7509 7.8667 7.8679 8.2014 8.2087 15.4903 15.4911 18.3906 18.3926 18.4105 18.4117 18.4896 18.4934 k = 0.0000 0.0000 0.0990 ( 1405 PWs) bands (ev): -16.8048 -16.8048 -11.1083 -11.1080 -11.0335 -11.0334 -10.2615 -10.2613 -5.6896 -5.6893 -1.6993 -1.6986 -1.5308 -1.5302 -0.0711 -0.0695 2.7887 2.7909 2.9146 2.9160 4.9330 4.9347 6.0167 6.0197 6.0555 6.0557 7.7041 7.7122 7.8607 7.8618 8.1809 8.1888 15.5201 15.5210 18.3906 18.3922 18.4101 18.4117 18.5095 18.5128 k = 0.0000 0.0000 0.1114 ( 1401 PWs) bands (ev): -16.7915 -16.7915 -11.1343 -11.1339 -11.0405 -11.0404 -10.2687 -10.2685 -5.6699 -5.6696 -1.7281 -1.7274 -1.5175 -1.5168 -0.0469 -0.0451 2.7724 2.7748 2.9482 2.9497 4.9535 4.9554 6.0209 6.0244 6.0667 6.0670 7.6611 7.6695 7.8540 7.8552 8.1578 8.1662 15.5533 15.5543 18.3907 18.3919 18.4099 18.4120 18.5308 18.5336 k = 0.0000 0.0000 0.1238 ( 1405 PWs) bands (ev): -16.7766 -16.7766 -11.1628 -11.1625 -11.0482 -11.0481 -10.2769 -10.2767 -5.6483 -5.6479 -1.7593 -1.7585 -1.5026 -1.5018 -0.0207 -0.0188 2.7542 2.7569 2.9852 2.9869 4.9763 4.9784 6.0261 6.0299 6.0784 6.0789 7.6146 7.6233 7.8467 7.8479 8.1321 8.1409 15.5896 15.5908 18.3908 18.3917 18.4102 18.4128 18.5533 18.5556 k = 0.0000 0.0000 0.1361 ( 1405 PWs) bands (ev): -16.7602 -16.7602 -11.1938 -11.1935 -11.0567 -11.0566 -10.2861 -10.2859 -5.6246 -5.6242 -1.7925 -1.7917 -1.4862 -1.4853 0.0074 0.0094 2.7341 2.7371 3.0255 3.0273 5.0013 5.0036 6.0322 6.0364 6.0904 6.0910 7.5653 7.5741 7.8387 7.8400 8.1039 8.1130 15.6288 15.6302 18.3910 18.3915 18.4111 18.4141 18.5765 18.5784 k = 0.0000 0.0000 0.1485 ( 1405 PWs) bands (ev): -16.7422 -16.7422 -11.2272 -11.2268 -11.0658 -11.0657 -10.2965 -10.2963 -5.5990 -5.5986 -1.8276 -1.8268 -1.4683 -1.4673 0.0371 0.0392 2.7123 2.7155 3.0690 3.0710 5.0285 5.0310 6.0396 6.0441 6.1021 6.1029 7.5137 7.5227 7.8302 7.8314 8.0733 8.0826 15.6708 15.6723 18.3911 18.3914 18.4127 18.4161 18.6003 18.6016 k = 0.0000 0.0000 0.1609 ( 1397 PWs) bands (ev): -16.7227 -16.7227 -11.2627 -11.2623 -11.0755 -11.0754 -10.3080 -10.3078 -5.5716 -5.5712 -1.8643 -1.8634 -1.4487 -1.4477 0.0682 0.0704 2.6887 2.6921 3.1155 3.1176 5.0578 5.0605 6.0482 6.0530 6.1132 6.1141 7.4607 7.4696 7.8211 7.8224 8.0405 8.0498 15.7152 15.7168 18.3912 18.3912 18.4151 18.4190 18.6242 18.6251 k = 0.0000 0.0000 0.1733 ( 1393 PWs) bands (ev): -16.7017 -16.7016 -11.3003 -11.2999 -11.0858 -11.0857 -10.3206 -10.3203 -5.5425 -5.5420 -1.9024 -1.9015 -1.4277 -1.4265 0.1007 0.1030 2.6634 2.6670 3.1648 3.1670 5.0892 5.0921 6.0581 6.0633 6.1230 6.1241 7.4070 7.4159 7.8113 7.8128 8.0054 8.0148 15.7617 15.7635 18.3910 18.3912 18.4186 18.4229 18.6481 18.6485 k = 0.0000 0.0000 0.1856 ( 1393 PWs) bands (ev): -16.6792 -16.6791 -11.3399 -11.3395 -11.0966 -11.0965 -10.3343 -10.3340 -5.5118 -5.5113 -1.9416 -1.9407 -1.4051 -1.4039 0.1343 0.1366 2.6365 2.6404 3.2167 3.2190 5.1226 5.1256 6.0694 6.0748 6.1306 6.1320 7.3536 7.3623 7.8009 7.8025 7.9683 7.9777 15.8102 15.8122 18.3906 18.3910 18.4231 18.4278 18.6713 18.6714 k = 0.0000 0.0000 0.1980 ( 1393 PWs) bands (ev): -16.6552 -16.6551 -11.3814 -11.3809 -11.1080 -11.1078 -10.3491 -10.3489 -5.4796 -5.4790 -1.9819 -1.9810 -1.3811 -1.3797 0.1689 0.1713 2.6081 2.6122 3.2710 3.2734 5.1578 5.1610 6.0821 6.0878 6.1352 6.1369 7.3017 7.3100 7.7900 7.7918 7.9294 7.9387 15.8603 15.8624 18.3900 18.3907 18.4290 18.4340 18.6935 18.6940 k = 0.0000 0.0000 0.2104 ( 1393 PWs) bands (ev): -16.6296 -16.6296 -11.4246 -11.4241 -11.1198 -11.1196 -10.3651 -10.3648 -5.4459 -5.4453 -2.0231 -2.0222 -1.3555 -1.3541 0.2043 0.2068 2.5783 2.5827 3.3276 3.3301 5.1948 5.1982 6.0963 6.1021 6.1359 6.1378 7.2523 7.2603 7.7785 7.7806 7.8889 7.8979 15.9117 15.9140 18.3892 18.3901 18.4362 18.4417 18.7146 18.7156 k = 0.0000 0.0000 0.2228 ( 1395 PWs) bands (ev): -16.6026 -16.6026 -11.4694 -11.4690 -11.1320 -11.1319 -10.3821 -10.3819 -5.4108 -5.4102 -2.0649 -2.0640 -1.3286 -1.3270 0.2404 0.2429 2.5474 2.5520 3.3862 3.3888 5.2336 5.2371 6.1118 6.1174 6.1318 6.1336 7.2069 7.2144 7.7663 7.7688 7.8471 7.8557 15.9642 15.9667 18.3882 18.3893 18.4449 18.4508 18.7346 18.7360 k = 0.0000 0.0000 0.2352 ( 1395 PWs) bands (ev): -16.5742 -16.5741 -11.5159 -11.5154 -11.1446 -11.1444 -10.4002 -10.4000 -5.3745 -5.3739 -2.1073 -2.1064 -1.3002 -1.2985 0.2771 0.2797 2.5154 2.5202 3.4466 3.4493 5.2740 5.2776 6.1187 6.1217 6.1302 6.1367 7.1669 7.1738 7.7530 7.7565 7.8049 7.8125 16.0176 16.0201 18.3869 18.3882 18.4553 18.4615 18.7531 18.7550 k = 0.0000 0.0000 0.2475 ( 1397 PWs) bands (ev): -16.5443 -16.5442 -11.5638 -11.5633 -11.1575 -11.1573 -10.4194 -10.4192 -5.3370 -5.3364 -2.1502 -2.1492 -1.2704 -1.2686 0.3142 0.3168 2.4825 2.4875 3.5086 3.5113 5.3158 5.3196 6.1006 6.1044 6.1480 6.1548 7.1334 7.1396 7.7356 7.7423 7.7654 7.7698 16.0714 16.0742 18.3853 18.3869 18.4675 18.4740 18.7703 18.7726 k = 0.0000 0.0000 0.2599 ( 1395 PWs) bands (ev): -16.5129 -16.5128 -11.6130 -11.6125 -11.1707 -11.1705 -10.4395 -10.4393 -5.2985 -5.2978 -2.1933 -2.1923 -1.2393 -1.2374 0.3516 0.3542 2.4489 2.4541 3.5720 3.5748 5.3590 5.3629 6.0738 6.0781 6.1678 6.1747 7.1074 7.1128 7.7040 7.7152 7.7391 7.7393 16.1256 16.1285 18.3835 18.3853 18.4814 18.4882 18.7858 18.7886 k = 0.0000 0.0000 0.2723 ( 1403 PWs) bands (ev): -16.4801 -16.4800 -11.6637 -11.6631 -11.1840 -11.1839 -10.4607 -10.4604 -5.2590 -5.2582 -2.2366 -2.2357 -1.2069 -1.2049 0.3891 0.3917 2.4148 2.4203 3.6364 3.6393 5.4033 5.4073 6.0382 6.0431 6.1889 6.1958 7.0892 7.0938 7.6614 7.6720 7.7237 7.7240 16.1798 16.1828 18.3813 18.3833 18.4970 18.5042 18.7997 18.8029 k = 0.0000 0.0000 0.2847 ( 1399 PWs) bands (ev): -16.4459 -16.4458 -11.7155 -11.7150 -11.1976 -11.1974 -10.4827 -10.4825 -5.2185 -5.2177 -2.2800 -2.2790 -1.1732 -1.1711 0.4266 0.4292 2.3804 2.3861 3.7018 3.7046 5.4487 5.4528 5.9940 5.9995 6.2113 6.2182 7.0790 7.0827 7.6165 7.6264 7.7105 7.7113 16.2338 16.2369 18.3787 18.3809 18.5147 18.5222 18.8119 18.8155 k = 0.0000 0.0000 0.2970 ( 1399 PWs) bands (ev): -16.4103 -16.4102 -11.7685 -11.7680 -11.2113 -11.2111 -10.5056 -10.5054 -5.1772 -5.1765 -2.3234 -2.3224 -1.1384 -1.1362 0.4640 0.4665 2.3460 2.3520 3.7677 3.7706 5.4950 5.4991 5.9419 5.9479 6.2347 6.2417 7.0759 7.0787 7.5714 7.5808 7.6981 7.6992 16.2874 16.2907 18.3758 18.3782 18.5343 18.5421 18.8223 18.8263 k = 0.0000 0.0000 0.3094 ( 1391 PWs) bands (ev): -16.3733 -16.3732 -11.8226 -11.8220 -11.2250 -11.2248 -10.5293 -10.5291 -5.1352 -5.1344 -2.3667 -2.3657 -1.1025 -1.1001 0.5010 0.5036 2.3118 2.3180 3.8338 3.8367 5.5418 5.5460 5.8827 5.8892 6.2592 6.2661 7.0790 7.0807 7.5273 7.5359 7.6863 7.6878 16.3405 16.3439 18.3725 18.3751 18.5559 18.5639 18.8311 18.8355 k = 0.0000 0.0000 0.3218 ( 1387 PWs) bands (ev): -16.3350 -16.3348 -11.8777 -11.8772 -11.2388 -11.2386 -10.5538 -10.5536 -5.0926 -5.0917 -2.4098 -2.4089 -1.0655 -1.0630 0.5375 0.5401 2.2781 2.2844 3.8999 3.9028 5.5890 5.5932 5.8176 5.8244 6.2845 6.2914 7.0867 7.0872 7.4851 7.4929 7.6751 7.6768 16.3928 16.3963 18.3687 18.3715 18.5792 18.5876 18.8383 18.8430 k = 0.0000 0.0000 0.3342 ( 1387 PWs) bands (ev): -16.2953 -16.2951 -11.9339 -11.9333 -11.2525 -11.2523 -10.5789 -10.5787 -5.0494 -5.0485 -2.4527 -2.4517 -1.0275 -1.0249 0.5734 0.5759 2.2450 2.2516 3.9655 3.9684 5.6361 5.6404 5.7478 5.7549 6.3107 6.3174 7.0963 7.0971 7.4462 7.4528 7.6646 7.6667 16.4442 16.4478 18.3645 18.3674 18.6043 18.6130 18.8438 18.8489 k = 0.0000 0.0000 0.3465 ( 1387 PWs) bands (ev): -16.2543 -16.2541 -11.9910 -11.9904 -11.2661 -11.2659 -10.6047 -10.6045 -5.0057 -5.0048 -2.4953 -2.4943 -0.9886 -0.9860 0.6085 0.6110 2.2129 2.2196 4.0303 4.0331 5.6718 5.6814 5.6858 5.6876 6.3376 6.3441 7.1053 7.1079 7.4125 7.4176 7.6551 7.6574 16.4946 16.4983 18.3599 18.3629 18.6310 18.6400 18.8477 18.8532 k = 0.0000 0.0000 0.3589 ( 1391 PWs) bands (ev): -16.2119 -16.2118 -12.0489 -12.0484 -11.2797 -11.2795 -10.6310 -10.6308 -4.9616 -4.9607 -2.5375 -2.5365 -0.9490 -0.9462 0.6427 0.6451 2.1819 2.1889 4.0936 4.0963 5.5981 5.6060 5.7299 5.7335 6.3653 6.3715 7.1111 7.1159 7.3868 7.3899 7.6467 7.6493 16.5439 16.5476 18.3547 18.3580 18.6592 18.6684 18.8502 18.8559 k = 0.0000 0.0000 0.3713 ( 1390 PWs) bands (ev): -16.1683 -16.1682 -12.1078 -12.1072 -11.2930 -11.2928 -10.6579 -10.6577 -4.9171 -4.9162 -2.5793 -2.5784 -0.9086 -0.9057 0.6756 0.6780 2.1524 2.1596 4.1549 4.1575 5.5210 5.5289 5.7751 5.7786 6.3938 6.3996 7.1102 7.1176 7.3722 7.3729 7.6395 7.6424 16.5920 16.5958 18.3491 18.3525 18.6885 18.6980 18.8512 18.8573 k = 0.0000 0.0000 0.3837 ( 1394 PWs) bands (ev): -16.1234 -16.1233 -12.1674 -12.1669 -11.3061 -11.3059 -10.6851 -10.6849 -4.8724 -4.8715 -2.6207 -2.6197 -0.8676 -0.8645 0.7072 0.7095 2.1246 2.1320 4.2135 4.2159 5.4436 5.4515 5.8186 5.8220 6.4230 6.4285 7.1006 7.1102 7.3691 7.3705 7.6338 7.6370 16.6390 16.6428 18.3430 18.3465 18.7187 18.7284 18.8508 18.8572 k = 0.0000 0.0000 0.3960 ( 1390 PWs) bands (ev): -16.0773 -16.0771 -12.2279 -12.2273 -11.3190 -11.3188 -10.7127 -10.7125 -4.8275 -4.8265 -2.6616 -2.6606 -0.8260 -0.8228 0.7374 0.7396 2.0988 2.1063 4.2685 4.2706 5.3672 5.3750 5.8600 5.8631 6.4533 6.4582 7.0831 7.0942 7.3780 7.3808 7.6297 7.6332 16.6848 16.6886 18.3364 18.3401 18.7495 18.7595 18.8492 18.8559 k = 0.0000 0.0000 0.4084 ( 1390 PWs) bands (ev): -16.0299 -16.0298 -12.2890 -12.2885 -11.3315 -11.3313 -10.7406 -10.7404 -4.7825 -4.7815 -2.7019 -2.7009 -0.7840 -0.7807 0.7657 0.7679 2.0751 2.0828 4.3186 4.3203 5.2931 5.3006 5.8986 5.9013 6.4847 6.4890 7.0605 7.0723 7.3967 7.4002 7.6274 7.6313 16.7293 16.7331 18.3293 18.3331 18.7803 18.7907 18.8463 18.8534 k = 0.0000 0.0000 0.4208 ( 1386 PWs) bands (ev): -15.9814 -15.9812 -12.3509 -12.3504 -11.3437 -11.3434 -10.7687 -10.7685 -4.7374 -4.7364 -2.7416 -2.7406 -0.7417 -0.7383 0.7922 0.7943 2.0539 2.0618 4.3623 4.3634 5.2230 5.2301 5.9338 5.9360 6.5175 6.5211 7.0356 7.0477 7.4220 7.4258 7.6271 7.6314 16.7728 16.7766 18.3217 18.3257 18.8107 18.8214 18.8424 18.8498 k = 0.0000 0.0000 0.4332 ( 1386 PWs) bands (ev): -15.9317 -15.9315 -12.4135 -12.4129 -11.3554 -11.3552 -10.7969 -10.7968 -4.6924 -4.6913 -2.7808 -2.7798 -0.6991 -0.6955 0.8166 0.8185 2.0353 2.0434 4.3975 4.3977 5.1592 5.1654 5.9648 5.9666 6.5519 6.5548 7.0108 7.0231 7.4516 7.4555 7.6289 7.6335 16.8152 16.8189 18.3137 18.3177 18.8366 18.8373 18.8481 18.8520 k = 0.0000 0.0000 0.4456 ( 1390 PWs) bands (ev): -15.8808 -15.8806 -12.4767 -12.4762 -11.3667 -11.3665 -10.8252 -10.8251 -4.6474 -4.6464 -2.8194 -2.8183 -0.6563 -0.6527 0.8388 0.8405 2.0196 2.0278 4.4206 4.4216 5.1042 5.1094 5.9913 5.9925 6.5880 6.5902 6.9877 6.9999 7.4837 7.4876 7.6328 7.6377 16.8566 16.8602 18.3051 18.3093 18.8305 18.8371 18.8707 18.8805 k = 0.0000 0.0000 0.4579 ( 1392 PWs) bands (ev): -15.8288 -15.8286 -12.5405 -12.5400 -11.3775 -11.3773 -10.8535 -10.8534 -4.6026 -4.6015 -2.8574 -2.8563 -0.6135 -0.6097 0.8584 0.8601 2.0069 2.0154 4.4292 4.4317 5.0609 5.0646 6.0126 6.0134 6.6261 6.6275 6.9674 6.9794 7.5174 7.5212 7.6388 7.6441 16.8971 16.9007 18.2961 18.3005 18.8232 18.8303 18.8969 18.9073 k = 0.0000 0.0000 0.4703 ( 1396 PWs) bands (ev): -15.7757 -15.7755 -12.6049 -12.6044 -11.3878 -11.3876 -10.8818 -10.8816 -4.5580 -4.5569 -2.8947 -2.8936 -0.5707 -0.5668 0.8754 0.8769 1.9975 2.0062 4.4212 4.4255 5.0315 5.0335 6.0287 6.0289 6.6661 6.6668 6.9507 6.9625 7.5520 7.5557 7.6469 7.6525 16.9368 16.9403 18.2867 18.2912 18.8148 18.8221 18.9209 18.9316 k = 0.0000 0.0000 0.4827 ( 1392 PWs) bands (ev): -15.7215 -15.7213 -12.6699 -12.6694 -11.3975 -11.3973 -10.9099 -10.9097 -4.5137 -4.5126 -2.9314 -2.9303 -0.5279 -0.5240 0.8896 0.8910 1.9916 2.0004 4.3963 4.4024 5.0163 5.0166 6.0391 6.0393 6.7078 6.7079 6.9381 6.9498 7.5869 7.5905 7.6571 7.6631 16.9758 16.9792 18.2769 18.2815 18.8053 18.8127 18.9420 18.9528 k = 0.0000 0.0000 0.4951 ( 1392 PWs) bands (ev): -15.6663 -15.6661 -12.7354 -12.7349 -11.4066 -11.4064 -10.9378 -10.9376 -4.4697 -4.4686 -2.9674 -2.9663 -0.4853 -0.4813 0.9009 0.9021 1.9892 1.9982 4.3565 4.3641 5.0120 5.0132 6.0439 6.0446 6.7505 6.7512 6.9301 6.9416 7.6217 7.6251 7.6692 7.6755 17.0143 17.0175 18.2668 18.2714 18.7947 18.8022 18.9594 18.9703 k = 0.0000 0.0000 0.5074 ( 1392 PWs) bands (ev): -15.6101 -15.6099 -12.8014 -12.8009 -11.4151 -11.4149 -10.9654 -10.9653 -4.4261 -4.4249 -3.0029 -3.0017 -0.4430 -0.4389 0.9091 0.9101 1.9905 1.9996 4.3051 4.3140 5.0167 5.0190 6.0436 6.0446 6.7945 6.7957 6.9269 6.9381 7.6560 7.6593 7.6831 7.6896 17.0523 17.0554 18.2563 18.2610 18.7830 18.7905 18.9726 18.9837 k = 0.0000 0.0000 0.5198 ( 1392 PWs) bands (ev): -15.5529 -15.5527 -12.8679 -12.8674 -11.4229 -11.4227 -10.9927 -10.9926 -4.3829 -4.3818 -3.0377 -3.0365 -0.4008 -0.3967 0.9141 0.9149 1.9956 2.0049 4.2456 4.2553 5.0273 5.0305 6.0386 6.0399 6.8394 6.8410 6.9286 6.9396 7.6897 7.6926 7.6988 7.7052 17.0899 17.0929 18.2454 18.2503 18.7701 18.7776 18.9814 18.9924 k = 0.0000 0.0000 0.5322 ( 1392 PWs) bands (ev): -15.4947 -15.4945 -12.9349 -12.9344 -11.4300 -11.4297 -11.0196 -11.0195 -4.3403 -4.3391 -3.0719 -3.0707 -0.3589 -0.3547 0.9158 0.9164 2.0046 2.0140 4.1805 4.1909 5.0414 5.0452 6.0290 6.0306 6.8848 6.8867 6.9352 6.9458 7.7149 7.7218 7.7227 7.7258 17.1273 17.1301 18.2344 18.2393 18.7561 18.7634 18.9852 18.9962 k = 0.0000 0.0000 0.5446 ( 1388 PWs) bands (ev): -15.4356 -15.4354 -13.0023 -13.0018 -11.4363 -11.4361 -11.0461 -11.0459 -4.2981 -4.2969 -3.1055 -3.1043 -0.3173 -0.3131 0.9142 0.9146 2.0175 2.0271 4.1118 4.1227 5.0571 5.0615 6.0154 6.0172 6.9303 6.9321 6.9467 6.9567 7.7328 7.7400 7.7541 7.7572 17.1645 17.1672 18.2230 18.2280 18.7408 18.7480 18.9841 18.9950 k = 0.0000 0.0000 0.5569 ( 1388 PWs) bands (ev): -15.3757 -15.3754 -13.0701 -13.0696 -11.4418 -11.4416 -11.0721 -11.0719 -4.2566 -4.2553 -3.1386 -3.1374 -0.2760 -0.2717 0.9092 0.9094 2.0343 2.0440 4.0409 4.0522 5.0736 5.0783 5.9982 6.0001 6.9611 6.9710 6.9763 6.9785 7.7514 7.7588 7.7844 7.7874 17.2016 17.2042 18.2114 18.2165 18.7244 18.7313 18.9778 18.9885 k = 0.0000 0.0000 0.5693 ( 1388 PWs) bands (ev): -15.3148 -15.3146 -13.1382 -13.1378 -11.4466 -11.4464 -11.0975 -11.0973 -4.2157 -4.2144 -3.1711 -3.1699 -0.2349 -0.2306 0.9009 0.9009 2.0550 2.0648 3.9686 3.9801 5.0902 5.0952 5.9777 5.9798 6.9807 6.9907 7.0201 7.0227 7.7706 7.7780 7.8133 7.8161 17.2388 17.2412 18.1996 18.2047 18.7067 18.7133 18.9665 18.9771 k = 0.0000 0.0000 0.5817 ( 1384 PWs) bands (ev): -15.2532 -15.2529 -13.2068 -13.2063 -11.4505 -11.4503 -11.1223 -11.1221 -4.1754 -4.1741 -3.2031 -3.2019 -0.1940 -0.1897 0.8890 0.8892 2.0796 2.0895 3.8954 3.9072 5.1068 5.1120 5.9543 5.9565 7.0035 7.0132 7.0633 7.0660 7.7902 7.7976 7.8406 7.8433 17.2761 17.2783 18.1874 18.1925 18.6878 18.6941 18.9506 18.9609 k = 0.0000 0.0000 0.5941 ( 1382 PWs) bands (ev): -15.1908 -15.1905 -13.2756 -13.2752 -11.4536 -11.4533 -11.1464 -11.1463 -4.1358 -4.1345 -3.2346 -3.2334 -0.1533 -0.1491 0.8739 0.8743 2.1079 2.1180 3.8219 3.8337 5.1235 5.1288 5.9284 5.9307 7.0291 7.0384 7.1050 7.1077 7.8099 7.8173 7.8662 7.8687 17.3136 17.3156 18.1750 18.1800 18.6680 18.6738 18.9304 18.9404 k = 0.0000 0.0000 0.6064 ( 1382 PWs) bands (ev): -15.1276 -15.1273 -13.3447 -13.3443 -11.4557 -11.4555 -11.1699 -11.1697 -4.0969 -4.0956 -3.2657 -3.2644 -0.1127 -0.1085 0.8557 0.8563 2.1400 2.1502 3.7481 3.7601 5.1404 5.1457 5.9002 5.9027 7.0569 7.0659 7.1449 7.1474 7.8295 7.8368 7.8899 7.8923 17.3512 17.3531 18.1620 18.1671 18.6475 18.6528 18.9065 18.9162 k = 0.0000 0.0000 0.6188 ( 1382 PWs) bands (ev): -15.0637 -15.0634 -13.4141 -13.4137 -11.4570 -11.4568 -11.1926 -11.1924 -4.0587 -4.0574 -3.2964 -3.2951 -0.0722 -0.0680 0.8345 0.8353 2.1757 2.1860 3.6744 3.6864 5.1577 5.1630 5.8702 5.8727 7.0863 7.0950 7.1825 7.1849 7.8488 7.8559 7.9117 7.9140 17.3892 17.3908 18.1484 18.1534 18.6266 18.6314 18.8795 18.8888 k = 0.0000 0.0000 0.6312 ( 1382 PWs) bands (ev): -14.9991 -14.9988 -13.4837 -13.4833 -11.4574 -11.4572 -11.2145 -11.2144 -4.0212 -4.0199 -3.3267 -3.3255 -0.0317 -0.0276 0.8104 0.8114 2.2148 2.2251 3.6007 3.6128 5.1756 5.1810 5.8386 5.8412 7.1167 7.1251 7.2177 7.2198 7.8677 7.8746 7.9316 7.9336 17.4273 17.4288 18.1341 18.1389 18.6058 18.6100 18.8501 18.8590 k = 0.0000 0.0000 0.6436 ( 1378 PWs) bands (ev): -14.9338 -14.9336 -13.5535 -13.5531 -11.4568 -11.4566 -11.2356 -11.2355 -3.9845 -3.9832 -3.3568 -3.3555 0.0088 0.0129 0.7837 0.7849 2.2572 2.2676 3.5273 3.5394 5.1945 5.1998 5.8057 5.8084 7.1476 7.1556 7.2500 7.2518 7.8860 7.8926 7.9494 7.9512 17.4658 17.4671 18.1186 18.1232 18.5856 18.5892 18.8189 18.8274 k = 0.0000 0.0000 0.6560 ( 1386 PWs) bands (ev): -14.8680 -14.8677 -13.6235 -13.6231 -11.4552 -11.4550 -11.2559 -11.2558 -3.9485 -3.9472 -3.3866 -3.3853 0.0494 0.0534 0.7546 0.7560 2.3027 2.3132 3.4542 3.4662 5.2144 5.2197 5.7717 5.7745 7.1783 7.1859 7.2793 7.2807 7.9035 7.9098 7.9650 7.9666 17.5046 17.5057 18.1017 18.1061 18.5668 18.5696 18.7865 18.7947 k = 0.0000 0.0000 0.6683 ( 1388 PWs) bands (ev): -14.8016 -14.8013 -13.6936 -13.6932 -11.4527 -11.4525 -11.2753 -11.2752 -3.9132 -3.9119 -3.4162 -3.4149 0.0902 0.0941 0.7232 0.7248 2.3511 2.3618 3.3815 3.3934 5.2357 5.2408 5.7369 5.7399 7.2083 7.2156 7.3052 7.3062 7.9201 7.9260 7.9785 7.9798 17.5436 17.5445 18.0831 18.0872 18.5500 18.5520 18.7538 18.7616 k = 0.0000 0.0000 0.6807 ( 1386 PWs) bands (ev): -14.7347 -14.7344 -13.7638 -13.7634 -11.4492 -11.4490 -11.2938 -11.2936 -3.8787 -3.8773 -3.4457 -3.4444 0.1311 0.1349 0.6899 0.6917 2.4024 2.4131 3.3091 3.3211 5.2583 5.2634 5.7016 5.7047 7.2370 7.2440 7.3275 7.3281 7.9358 7.9413 7.9899 7.9909 17.5828 17.5835 18.0624 18.0662 18.5359 18.5371 18.7213 18.7286 k = 0.0000 0.0000 0.6931 ( 1386 PWs) bands (ev): -14.6672 -14.6669 -13.8340 -13.8336 -11.4447 -11.4445 -11.3114 -11.3112 -3.8448 -3.8434 -3.4751 -3.4738 0.1722 0.1758 0.6548 0.6568 2.4561 2.4669 3.2374 3.2492 5.2824 5.2873 5.6660 5.6692 7.2642 7.2707 7.3462 7.3462 7.9503 7.9553 7.9990 7.9998 17.6222 17.6227 18.0394 18.0428 18.5252 18.5256 18.6896 18.6964 k = 0.0000 0.0000 0.7055 ( 1386 PWs) bands (ev): -14.5994 -14.5990 -13.9043 -13.9039 -11.4392 -11.4390 -11.3280 -11.3278 -3.8115 -3.8101 -3.5045 -3.5032 0.2134 0.2170 0.6182 0.6204 2.5123 2.5232 3.1661 3.1779 5.3080 5.3128 5.6303 5.6336 7.2893 7.2953 7.3604 7.3610 7.9636 7.9681 8.0060 8.0064 17.6616 17.6619 18.0140 18.0169 18.5179 18.5182 18.6592 18.6656 k = 0.0000 0.0000 0.7178 ( 1386 PWs) bands (ev): -14.5311 -14.5307 -13.9745 -13.9742 -11.4327 -11.4325 -11.3437 -11.3435 -3.7789 -3.7775 -3.5340 -3.5326 0.2548 0.2582 0.5804 0.5827 2.5707 2.5816 3.0956 3.1073 5.3351 5.3397 5.5946 5.5981 7.3118 7.3175 7.3706 7.3717 7.9755 7.9795 8.0109 8.0109 17.7010 17.7011 17.9861 17.9886 18.5144 18.5155 18.6306 18.6365 k = 0.0000 0.0000 0.7302 ( 1390 PWs) bands (ev): -14.4624 -14.4621 -14.0447 -14.0444 -11.4251 -11.4249 -11.3583 -11.3581 -3.7468 -3.7454 -3.5635 -3.5622 0.2962 0.2995 0.5414 0.5439 2.6311 2.6421 3.0258 3.0374 5.3636 5.3681 5.5593 5.5629 7.3316 7.3367 7.3767 7.3784 7.9861 7.9895 8.0132 8.0136 17.7400 17.7402 17.9558 17.9579 18.5151 18.5170 18.6042 18.6096 k = 0.0000 0.0000 0.7426 ( 1394 PWs) bands (ev): -14.3934 -14.3931 -14.1148 -14.1145 -11.4165 -11.4163 -11.3720 -11.3718 -3.7153 -3.7139 -3.5933 -3.5919 0.3377 0.3409 0.5017 0.5043 2.6933 2.7044 2.9569 2.9684 5.3935 5.3979 5.5245 5.5282 7.3482 7.3528 7.3788 7.3811 7.9950 7.9979 8.0134 8.0143 17.7785 17.7789 17.9233 17.9251 18.5202 18.5228 18.5805 18.5854 k = 0.0000 0.0000 0.7550 ( 1394 PWs) bands (ev): -14.3241 -14.3237 -14.1848 -14.1844 -11.4069 -11.4067 -11.3847 -11.3845 -3.6842 -3.6828 -3.6233 -3.6219 0.3791 0.3822 0.4612 0.4640 2.7571 2.7683 2.8891 2.9005 5.4247 5.4289 5.4903 5.4942 7.3614 7.3655 7.3769 7.3798 8.0024 8.0047 8.0116 8.0130 17.8164 17.8171 17.8891 17.8904 18.5295 18.5327 18.5600 18.5644 k = 0.0000 0.0000 0.7673 ( 1398 PWs) bands (ev): -14.2545 -14.2545 -14.2542 -14.2542 -11.3963 -11.3963 -11.3961 -11.3961 -3.6535 -3.6535 -3.6522 -3.6522 0.4203 0.4203 0.4232 0.4232 2.8225 2.8225 2.8338 2.8338 5.4570 5.4570 5.4610 5.4610 7.3710 7.3710 7.3745 7.3745 8.0079 8.0079 8.0098 8.0098 17.8533 17.8533 17.8543 17.8543 18.5429 18.5429 18.5467 18.5467 k = 0.0000 0.0000 0.7673 ( 1398 PWs) bands (ev): -14.2545 -14.2545 -14.2542 -14.2542 -11.3963 -11.3963 -11.3961 -11.3961 -3.6535 -3.6535 -3.6522 -3.6522 0.4203 0.4203 0.4232 0.4232 2.8225 2.8225 2.8338 2.8338 5.4570 5.4570 5.4610 5.4610 7.3710 7.3710 7.3745 7.3745 8.0079 8.0079 8.0098 8.0098 17.8533 17.8533 17.8543 17.8543 18.5429 18.5429 18.5467 18.5467 k =-0.0080 0.0093 0.7673 ( 1394 PWs) bands (ev): -14.2546 -14.2546 -14.2542 -14.2542 -11.3966 -11.3966 -11.3965 -11.3965 -3.6519 -3.6519 -3.6505 -3.6505 0.4199 0.4199 0.4228 0.4228 2.8225 2.8225 2.8338 2.8338 5.4554 5.4554 5.4595 5.4595 7.3710 7.3710 7.3745 7.3745 8.0079 8.0079 8.0097 8.0097 17.8537 17.8537 17.8548 17.8548 18.5428 18.5428 18.5466 18.5466 k =-0.0160 0.0187 0.7673 ( 1394 PWs) bands (ev): -14.2546 -14.2546 -14.2543 -14.2543 -11.3976 -11.3976 -11.3974 -11.3974 -3.6471 -3.6471 -3.6457 -3.6457 0.4186 0.4186 0.4216 0.4216 2.8228 2.8228 2.8341 2.8341 5.4508 5.4508 5.4549 5.4549 7.3707 7.3707 7.3743 7.3743 8.0077 8.0077 8.0095 8.0095 17.8549 17.8549 17.8560 17.8560 18.5426 18.5426 18.5465 18.5465 k =-0.0241 0.0280 0.7673 ( 1392 PWs) bands (ev): -14.2548 -14.2548 -14.2544 -14.2544 -11.3993 -11.3993 -11.3991 -11.3991 -3.6390 -3.6390 -3.6376 -3.6376 0.4165 0.4165 0.4195 0.4195 2.8232 2.8232 2.8345 2.8345 5.4430 5.4430 5.4472 5.4472 7.3702 7.3702 7.3740 7.3740 8.0074 8.0074 8.0092 8.0092 17.8567 17.8567 17.8579 17.8579 18.5424 18.5424 18.5462 18.5462 k =-0.0321 0.0373 0.7673 ( 1392 PWs) bands (ev): -14.2549 -14.2549 -14.2546 -14.2546 -11.4015 -11.4015 -11.4013 -11.4013 -3.6278 -3.6278 -3.6264 -3.6264 0.4135 0.4135 0.4165 0.4165 2.8237 2.8237 2.8351 2.8351 5.4323 5.4323 5.4366 5.4366 7.3695 7.3695 7.3735 7.3735 8.0070 8.0070 8.0087 8.0087 17.8589 17.8589 17.8603 17.8603 18.5422 18.5422 18.5460 18.5460 k =-0.0401 0.0467 0.7673 ( 1390 PWs) bands (ev): -14.2552 -14.2552 -14.2548 -14.2548 -11.4044 -11.4044 -11.4042 -11.4042 -3.6134 -3.6134 -3.6121 -3.6121 0.4097 0.4097 0.4127 0.4127 2.8245 2.8245 2.8359 2.8359 5.4188 5.4188 5.4232 5.4232 7.3684 7.3684 7.3727 7.3727 8.0064 8.0064 8.0082 8.0082 17.8615 17.8615 17.8629 17.8629 18.5420 18.5420 18.5458 18.5458 k =-0.0481 0.0560 0.7673 ( 1394 PWs) bands (ev): -14.2555 -14.2555 -14.2551 -14.2551 -11.4078 -11.4078 -11.4076 -11.4076 -3.5960 -3.5960 -3.5946 -3.5946 0.4050 0.4050 0.4080 0.4080 2.8254 2.8254 2.8368 2.8368 5.4025 5.4025 5.4071 5.4071 7.3670 7.3670 7.3716 7.3716 8.0057 8.0057 8.0075 8.0075 17.8638 17.8638 17.8654 17.8654 18.5421 18.5421 18.5458 18.5458 k =-0.0561 0.0654 0.7673 ( 1394 PWs) bands (ev): -14.2559 -14.2559 -14.2555 -14.2555 -11.4118 -11.4118 -11.4116 -11.4116 -3.5756 -3.5756 -3.5742 -3.5742 0.3994 0.3994 0.4025 0.4025 2.8265 2.8265 2.8380 2.8380 5.3837 5.3837 5.3885 5.3885 7.3652 7.3652 7.3702 7.3702 8.0049 8.0049 8.0067 8.0067 17.8657 17.8657 17.8675 17.8675 18.5425 18.5425 18.5462 18.5462 k =-0.0642 0.0747 0.7673 ( 1390 PWs) bands (ev): -14.2564 -14.2564 -14.2560 -14.2560 -11.4163 -11.4162 -11.4160 -11.4160 -3.5522 -3.5522 -3.5509 -3.5509 0.3929 0.3929 0.3960 0.3960 2.8279 2.8279 2.8394 2.8394 5.3627 5.3627 5.3676 5.3676 7.3629 7.3629 7.3682 7.3682 8.0039 8.0039 8.0058 8.0058 17.8666 17.8666 17.8686 17.8686 18.5436 18.5437 18.5473 18.5473 k =-0.0722 0.0840 0.7673 ( 1386 PWs) bands (ev): -14.2569 -14.2569 -14.2566 -14.2566 -11.4211 -11.4211 -11.4209 -11.4209 -3.5261 -3.5261 -3.5247 -3.5247 0.3855 0.3855 0.3887 0.3887 2.8294 2.8294 2.8410 2.8410 5.3395 5.3395 5.3446 5.3446 7.3600 7.3600 7.3657 7.3657 8.0028 8.0028 8.0049 8.0049 17.8660 17.8661 17.8683 17.8683 18.5456 18.5456 18.5492 18.5492 k =-0.0802 0.0934 0.7673 ( 1398 PWs) bands (ev): -14.2577 -14.2577 -14.2573 -14.2573 -11.4264 -11.4264 -11.4261 -11.4261 -3.4972 -3.4972 -3.4959 -3.4959 0.3772 0.3772 0.3805 0.3805 2.8312 2.8313 2.8429 2.8429 5.3144 5.3144 5.3197 5.3198 7.3563 7.3563 7.3624 7.3624 8.0015 8.0015 8.0038 8.0038 17.8634 17.8634 17.8658 17.8658 18.5487 18.5487 18.5522 18.5523 k =-0.0882 0.1027 0.7673 ( 1398 PWs) bands (ev): -14.2585 -14.2585 -14.2582 -14.2582 -11.4319 -11.4319 -11.4316 -11.4316 -3.4658 -3.4658 -3.4645 -3.4645 0.3681 0.3681 0.3714 0.3714 2.8333 2.8334 2.8451 2.8451 5.2878 5.2878 5.2933 5.2933 7.3519 7.3519 7.3584 7.3584 8.0002 8.0002 8.0027 8.0027 17.8583 17.8583 17.8610 17.8610 18.5534 18.5534 18.5568 18.5568 k =-0.0962 0.1120 0.7673 ( 1398 PWs) bands (ev): -14.2595 -14.2595 -14.2592 -14.2591 -11.4377 -11.4377 -11.4374 -11.4374 -3.4319 -3.4319 -3.4306 -3.4306 0.3580 0.3580 0.3614 0.3614 2.8358 2.8358 2.8475 2.8475 5.2597 5.2597 5.2654 5.2654 7.3466 7.3466 7.3535 7.3535 7.9986 7.9986 8.0015 8.0015 17.8502 17.8502 17.8531 17.8531 18.5598 18.5598 18.5632 18.5632 k =-0.1043 0.1214 0.7673 ( 1400 PWs) bands (ev): -14.2607 -14.2607 -14.2603 -14.2603 -11.4436 -11.4436 -11.4433 -11.4433 -3.3957 -3.3957 -3.3944 -3.3944 0.3470 0.3470 0.3505 0.3505 2.8385 2.8385 2.8504 2.8504 5.2305 5.2305 5.2363 5.2363 7.3403 7.3403 7.3476 7.3476 7.9970 7.9970 8.0002 8.0002 17.8386 17.8386 17.8418 17.8418 18.5684 18.5684 18.5717 18.5717 k =-0.1123 0.1307 0.7673 ( 1404 PWs) bands (ev): -14.2620 -14.2620 -14.2617 -14.2617 -11.4497 -11.4497 -11.4494 -11.4494 -3.3573 -3.3573 -3.3560 -3.3560 0.3351 0.3351 0.3386 0.3386 2.8416 2.8416 2.8535 2.8535 5.2004 5.2004 5.2064 5.2064 7.3329 7.3329 7.3407 7.3407 7.9953 7.9953 7.9989 7.9989 17.8232 17.8232 17.8266 17.8266 18.5791 18.5791 18.5824 18.5824 k =-0.1203 0.1401 0.7673 ( 1400 PWs) bands (ev): -14.2636 -14.2636 -14.2632 -14.2632 -11.4558 -11.4558 -11.4554 -11.4554 -3.3169 -3.3169 -3.3157 -3.3157 0.3223 0.3223 0.3259 0.3259 2.8451 2.8452 2.8571 2.8571 5.1697 5.1697 5.1758 5.1758 7.3245 7.3245 7.3327 7.3327 7.9936 7.9936 7.9975 7.9975 17.8040 17.8040 17.8076 17.8076 18.5922 18.5922 18.5955 18.5956 k =-0.1283 0.1494 0.7673 ( 1400 PWs) bands (ev): -14.2653 -14.2653 -14.2650 -14.2650 -11.4618 -11.4618 -11.4615 -11.4615 -3.2747 -3.2747 -3.2735 -3.2735 0.3086 0.3086 0.3124 0.3124 2.8491 2.8491 2.8612 2.8612 5.1386 5.1386 5.1448 5.1448 7.3148 7.3148 7.3234 7.3234 7.9918 7.9918 7.9961 7.9961 17.7807 17.7807 17.7845 17.7845 18.6076 18.6076 18.6110 18.6110 k =-0.1363 0.1587 0.7673 ( 1400 PWs) bands (ev): -14.2673 -14.2673 -14.2670 -14.2670 -11.4678 -11.4678 -11.4674 -11.4674 -3.2309 -3.2309 -3.2297 -3.2297 0.2941 0.2941 0.2979 0.2980 2.8536 2.8536 2.8657 2.8657 5.1073 5.1073 5.1135 5.1135 7.3039 7.3039 7.3128 7.3128 7.9899 7.9899 7.9946 7.9946 17.7536 17.7536 17.7575 17.7575 18.6251 18.6251 18.6286 18.6286 k =-0.1444 0.1681 0.7673 ( 1404 PWs) bands (ev): -14.2696 -14.2696 -14.2692 -14.2692 -11.4735 -11.4735 -11.4732 -11.4732 -3.1856 -3.1856 -3.1844 -3.1844 0.2787 0.2787 0.2827 0.2827 2.8587 2.8587 2.8708 2.8708 5.0760 5.0760 5.0823 5.0823 7.2916 7.2916 7.3009 7.3009 7.9880 7.9880 7.9931 7.9931 17.7227 17.7227 17.7267 17.7267 18.6445 18.6445 18.6481 18.6481 k =-0.1524 0.1774 0.7673 ( 1400 PWs) bands (ev): -14.2721 -14.2721 -14.2717 -14.2717 -11.4791 -11.4791 -11.4787 -11.4787 -3.1390 -3.1390 -3.1379 -3.1379 0.2626 0.2626 0.2667 0.2667 2.8643 2.8643 2.8765 2.8765 5.0450 5.0450 5.0513 5.0513 7.2779 7.2779 7.2876 7.2876 7.9861 7.9861 7.9916 7.9916 17.6884 17.6884 17.6925 17.6925 18.6656 18.6656 18.6694 18.6694 k =-0.1604 0.1867 0.7673 ( 1408 PWs) bands (ev): -14.2749 -14.2749 -14.2745 -14.2745 -11.4843 -11.4843 -11.4839 -11.4839 -3.0914 -3.0914 -3.0903 -3.0903 0.2457 0.2457 0.2499 0.2499 2.8707 2.8707 2.8829 2.8829 5.0143 5.0143 5.0207 5.0207 7.2628 7.2628 7.2729 7.2729 7.9842 7.9842 7.9900 7.9900 17.6510 17.6510 17.6552 17.6552 18.6881 18.6881 18.6920 18.6920 k =-0.1684 0.1961 0.7673 ( 1408 PWs) bands (ev): -14.2780 -14.2779 -14.2776 -14.2776 -11.4891 -11.4891 -11.4888 -11.4888 -3.0430 -3.0430 -3.0420 -3.0420 0.2282 0.2282 0.2325 0.2325 2.8777 2.8777 2.8900 2.8900 4.9843 4.9843 4.9907 4.9907 7.2462 7.2462 7.2566 7.2566 7.9823 7.9823 7.9885 7.9885 17.6108 17.6109 17.6151 17.6151 18.7116 18.7116 18.7158 18.7158 k =-0.1764 0.2054 0.7673 ( 1400 PWs) bands (ev): -14.2813 -14.2813 -14.2809 -14.2809 -11.4936 -11.4936 -11.4932 -11.4932 -2.9940 -2.9940 -2.9930 -2.9930 0.2101 0.2101 0.2145 0.2145 2.8855 2.8856 2.8978 2.8978 4.9551 4.9551 4.9615 4.9615 7.2281 7.2281 7.2387 7.2387 7.9805 7.9805 7.9870 7.9870 17.5685 17.5685 17.5727 17.5727 18.7359 18.7359 18.7403 18.7403 k =-0.1845 0.2147 0.7673 ( 1404 PWs) bands (ev): -14.2850 -14.2850 -14.2846 -14.2846 -11.4975 -11.4975 -11.4972 -11.4972 -2.9446 -2.9446 -2.9436 -2.9436 0.1914 0.1914 0.1960 0.1960 2.8942 2.8942 2.9065 2.9065 4.9268 4.9268 4.9331 4.9331 7.2084 7.2084 7.2193 7.2193 7.9786 7.9786 7.9854 7.9854 17.5240 17.5240 17.5283 17.5283 18.7605 18.7605 18.7651 18.7651 k =-0.1845 0.2147 0.7673 ( 1404 PWs) bands (ev): -14.2850 -14.2850 -14.2846 -14.2846 -11.4975 -11.4975 -11.4972 -11.4972 -2.9446 -2.9446 -2.9436 -2.9436 0.1914 0.1914 0.1960 0.1960 2.8942 2.8942 2.9065 2.9065 4.9268 4.9268 4.9331 4.9331 7.2084 7.2084 7.2193 7.2193 7.9786 7.9786 7.9854 7.9854 17.5240 17.5240 17.5283 17.5283 18.7605 18.7605 18.7651 18.7651 k =-0.1901 0.2213 0.7587 ( 1404 PWs) bands (ev): -14.3240 -14.3237 -14.2514 -14.2511 -11.5129 -11.5125 -11.4867 -11.4863 -2.9385 -2.9376 -2.8815 -2.8806 0.1619 0.1651 0.1954 0.1985 2.8757 2.8856 2.9288 2.9389 4.8990 4.9043 4.9177 4.9233 7.1729 7.1790 7.2174 7.2234 7.9633 7.9656 7.9960 7.9988 17.4615 17.4635 17.5241 17.5264 18.7685 18.7728 18.7889 18.7934 k =-0.1957 0.2279 0.7500 ( 1410 PWs) bands (ev): -14.3619 -14.3616 -14.2194 -14.2191 -11.5279 -11.5275 -11.4746 -11.4742 -2.9335 -2.9326 -2.8179 -2.8170 0.1322 0.1355 0.1972 0.2001 2.8596 2.8693 2.9607 2.9706 4.8737 4.8786 4.9082 4.9139 7.1312 7.1375 7.2223 7.2282 7.9449 7.9471 8.0123 8.0154 17.3969 17.3989 17.5226 17.5249 18.7781 18.7823 18.8180 18.8228 k =-0.2014 0.2344 0.7414 ( 1410 PWs) bands (ev): -14.3986 -14.3983 -14.1890 -14.1887 -11.5425 -11.5421 -11.4613 -11.4610 -2.9297 -2.9289 -2.7540 -2.7531 0.1029 0.1062 0.1975 0.2003 2.8465 2.8559 2.9911 3.0008 4.8509 4.8553 4.8991 4.9048 7.0856 7.0918 7.2266 7.2323 7.9253 7.9273 8.0299 8.0332 17.3318 17.3337 17.5206 17.5230 18.7892 18.7934 18.8478 18.8529 k =-0.2070 0.2410 0.7328 ( 1408 PWs) bands (ev): -14.4340 -14.4337 -14.1602 -14.1599 -11.5568 -11.5564 -11.4470 -11.4466 -2.9273 -2.9265 -2.6897 -2.6888 0.0739 0.0772 0.1967 0.1992 2.8366 2.8456 3.0200 3.0294 4.8306 4.8343 4.8906 4.8964 7.0365 7.0426 7.2301 7.2355 7.9047 7.9064 8.0485 8.0520 17.2663 17.2681 17.5183 17.5208 18.8018 18.8059 18.8783 18.8836 k =-0.2126 0.2475 0.7241 ( 1412 PWs) bands (ev): -14.4682 -14.4679 -14.1329 -14.1326 -11.5707 -11.5703 -11.4316 -11.4312 -2.9262 -2.9255 -2.6251 -2.6242 0.0452 0.0484 0.1947 0.1971 2.8296 2.8383 3.0472 3.0563 4.8125 4.8153 4.8831 4.8890 6.9843 6.9904 7.2327 7.2380 7.8832 7.8847 8.0676 8.0713 17.2007 17.2025 17.5157 17.5181 18.8156 18.8198 18.9091 18.9146 k =-0.2183 0.2541 0.7155 ( 1407 PWs) bands (ev): -14.5011 -14.5008 -14.1073 -14.1070 -11.5842 -11.5838 -11.4153 -11.4149 -2.9265 -2.9259 -2.5604 -2.5595 0.0167 0.0197 0.1919 0.1941 2.8256 2.8339 3.0727 3.0814 4.7960 4.7979 4.8770 4.8832 6.9295 6.9355 7.2347 7.2397 7.8612 7.8624 8.0871 8.0910 17.1355 17.1372 17.5128 17.5152 18.8307 18.8348 18.9403 18.9460 k =-0.2239 0.2607 0.7068 ( 1408 PWs) bands (ev): -14.5327 -14.5324 -14.0833 -14.0830 -11.5973 -11.5968 -11.3981 -11.3977 -2.9282 -2.9276 -2.4956 -2.4948 -0.0119 -0.0090 0.1885 0.1905 2.8244 2.8322 3.0964 3.1046 4.7805 4.7813 4.8732 4.8796 6.8724 6.8783 7.2359 7.2407 7.8387 7.8397 8.1068 8.1107 17.0710 17.0726 17.5096 17.5120 18.8466 18.8507 18.9715 18.9774 k =-0.2295 0.2672 0.6982 ( 1408 PWs) bands (ev): -14.5630 -14.5627 -14.0608 -14.0605 -11.6099 -11.6094 -11.3803 -11.3799 -2.9312 -2.9306 -2.4308 -2.4300 -0.0406 -0.0379 0.1846 0.1864 2.8258 2.8332 3.1185 3.1260 4.7650 4.7654 4.8722 4.8789 6.8133 6.8192 7.2366 7.2411 7.8159 7.8167 8.1264 8.1305 17.0073 17.0088 17.5063 17.5087 18.8634 18.8674 19.0028 19.0087 k =-0.2352 0.2738 0.6895 ( 1411 PWs) bands (ev): -14.5919 -14.5917 -14.0399 -14.0396 -11.6220 -11.6216 -11.3618 -11.3614 -2.9355 -2.9349 -2.3662 -2.3654 -0.0696 -0.0671 0.1805 0.1821 2.8295 2.8364 3.1389 3.1458 4.7484 4.7497 4.8748 4.8816 6.7526 6.7584 7.2368 7.2411 7.7931 7.7936 8.1458 8.1500 16.9448 16.9462 17.5027 17.5051 18.8808 18.8848 19.0339 19.0399 k =-0.2408 0.2803 0.6809 ( 1407 PWs) bands (ev): -14.6195 -14.6192 -14.0206 -14.0203 -11.6336 -11.6332 -11.3429 -11.3425 -2.9410 -2.9404 -2.3018 -2.3011 -0.0990 -0.0967 0.1763 0.1779 2.8354 2.8418 3.1578 3.1640 4.7309 4.7330 4.8813 4.8883 6.6905 6.6962 7.2366 7.2406 7.7702 7.7707 8.1648 8.1691 16.8838 16.8852 17.4992 17.5015 18.8987 18.9027 19.0647 19.0708 k =-0.2464 0.2869 0.6722 ( 1407 PWs) bands (ev): -14.6457 -14.6454 -14.0027 -14.0024 -11.6448 -11.6443 -11.3238 -11.3234 -2.9476 -2.9470 -2.2378 -2.2371 -0.1289 -0.1269 0.1722 0.1738 2.8432 2.8490 3.1755 3.1808 4.7123 4.7150 4.8921 4.8990 6.6273 6.6329 7.2361 7.2399 7.7474 7.7480 8.1834 8.1878 16.8245 16.8258 17.4955 17.4978 18.9169 18.9209 19.0950 19.1012 k =-0.2521 0.2935 0.6636 ( 1409 PWs) bands (ev): -14.6704 -14.6702 -13.9862 -13.9859 -11.6553 -11.6549 -11.3045 -11.3041 -2.9551 -2.9546 -2.1744 -2.1737 -0.1595 -0.1578 0.1685 0.1702 2.8524 2.8576 3.1921 3.1966 4.6925 4.6956 4.9071 4.9137 6.5632 6.5687 7.2355 7.2390 7.7249 7.7258 8.2014 8.2059 16.7671 16.7683 17.4919 17.4941 18.9353 18.9392 19.1248 19.1310 k =-0.2577 0.3000 0.6549 ( 1403 PWs) bands (ev): -14.6938 -14.6935 -13.9711 -13.9708 -11.6654 -11.6650 -11.2852 -11.2848 -2.9635 -2.9629 -2.1115 -2.1109 -0.1908 -0.1893 0.1651 0.1670 2.8628 2.8673 3.2080 3.2116 4.6713 4.6748 4.9262 4.9325 6.4985 6.5039 7.2348 7.2381 7.7028 7.7040 8.2188 8.2233 16.7119 16.7131 17.4882 17.4904 18.9536 18.9574 19.1539 19.1601 k =-0.2634 0.3066 0.6463 ( 1405 PWs) bands (ev): -14.7157 -14.7154 -13.9574 -13.9571 -11.6749 -11.6744 -11.2662 -11.2658 -2.9725 -2.9719 -2.0496 -2.0490 -0.2227 -0.2215 0.1622 0.1644 2.8739 2.8778 3.2234 3.2262 4.6489 4.6526 4.9492 4.9552 6.4334 6.4386 7.2342 7.2373 7.6812 7.6828 8.2353 8.2400 16.6592 16.6603 17.4846 17.4868 18.9716 18.9754 19.1822 19.1884 k =-0.2690 0.3131 0.6376 ( 1407 PWs) bands (ev): -14.7361 -14.7359 -13.9449 -13.9446 -11.6838 -11.6833 -11.2475 -11.2471 -2.9820 -2.9814 -1.9887 -1.9881 -0.2553 -0.2543 0.1599 0.1623 2.8854 2.8886 3.2386 3.2406 4.6253 4.6293 4.9759 4.9814 6.3680 6.3731 7.2337 7.2366 7.6603 7.6622 8.2510 8.2558 16.6090 16.6101 17.4811 17.4832 18.9894 18.9931 19.2096 19.2158 k =-0.2746 0.3197 0.6290 ( 1409 PWs) bands (ev): -14.7551 -14.7549 -13.9336 -13.9333 -11.6921 -11.6916 -11.2294 -11.2290 -2.9918 -2.9912 -1.9291 -1.9285 -0.2884 -0.2877 0.1581 0.1608 2.8968 2.8994 3.2538 3.2554 4.6008 4.6049 5.0061 5.0111 6.3025 6.3075 7.2335 7.2362 7.6401 7.6424 8.2659 8.2707 16.5618 16.5627 17.4778 17.4798 19.0065 19.0102 19.2359 19.2420 k =-0.2803 0.3263 0.6203 ( 1411 PWs) bands (ev): -14.7727 -14.7724 -13.9235 -13.9232 -11.6998 -11.6993 -11.2120 -11.2116 -3.0017 -3.0010 -1.8709 -1.8704 -0.3219 -0.3214 0.1569 0.1599 2.9077 2.9098 3.2690 3.2708 4.5756 4.5798 5.0394 5.0440 6.2371 6.2420 7.2336 7.2362 7.6207 7.6234 8.2797 8.2846 16.5175 16.5184 17.4746 17.4765 19.0230 19.0266 19.2611 19.2672 k =-0.2859 0.3328 0.6117 ( 1411 PWs) bands (ev): -14.7887 -14.7884 -13.9144 -13.9142 -11.7068 -11.7064 -11.1955 -11.1951 -3.0115 -3.0108 -1.8147 -1.8142 -0.3555 -0.3553 0.1561 0.1594 2.9179 2.9196 3.2846 3.2869 4.5500 4.5542 5.0757 5.0798 6.1720 6.1767 7.2341 7.2365 7.6022 7.6052 8.2926 8.2975 16.4765 16.4774 17.4716 17.4734 19.0386 19.0422 19.2850 19.2910 k =-0.2915 0.3394 0.6030 ( 1411 PWs) bands (ev): -14.8032 -14.8030 -13.9064 -13.9062 -11.7133 -11.7128 -11.1800 -11.1796 -3.0211 -3.0203 -1.7606 -1.7601 -0.3890 -0.3889 0.1558 0.1593 2.9271 2.9285 3.3006 3.3035 4.5244 4.5285 5.1147 5.1184 6.1073 6.1118 7.2350 7.2373 7.5848 7.5881 8.3043 8.3093 16.4389 16.4397 17.4688 17.4705 19.0533 19.0567 19.3074 19.3134 k =-0.2972 0.3459 0.5944 ( 1413 PWs) bands (ev): -14.8162 -14.8160 -13.8995 -13.8992 -11.7191 -11.7186 -11.1657 -11.1653 -3.0302 -3.0294 -1.7091 -1.7087 -0.4220 -0.4218 0.1558 0.1595 2.9351 2.9363 3.3169 3.3204 4.4991 4.5031 5.1563 5.1595 6.0430 6.0474 7.2362 7.2384 7.5685 7.5722 8.3150 8.3200 16.4048 16.4055 17.4662 17.4679 19.0668 19.0702 19.3283 19.3342 k =-0.3028 0.3525 0.5858 ( 1417 PWs) bands (ev): -14.8278 -14.8275 -13.8934 -13.8931 -11.7242 -11.7237 -11.1528 -11.1524 -3.0387 -3.0378 -1.6608 -1.6605 -0.4541 -0.4537 0.1560 0.1599 2.9419 2.9431 3.3334 3.3373 4.4747 4.4786 5.2001 5.2029 5.9794 5.9836 7.2377 7.2399 7.5534 7.5574 8.3244 8.3295 16.3743 16.3750 17.4639 17.4655 19.0790 19.0823 19.3475 19.3534 k =-0.3084 0.3591 0.5771 ( 1413 PWs) bands (ev): -14.8377 -14.8375 -13.8882 -13.8880 -11.7286 -11.7282 -11.1413 -11.1409 -3.0463 -3.0455 -1.6163 -1.6160 -0.4845 -0.4839 0.1564 0.1605 2.9475 2.9487 3.3496 3.3537 4.4518 4.4554 5.2460 5.2485 5.9165 5.9205 7.2395 7.2417 7.5398 7.5441 8.3328 8.3379 16.3477 16.3483 17.4619 17.4634 19.0898 19.0931 19.3649 19.3707 k =-0.3141 0.3656 0.5685 ( 1415 PWs) bands (ev): -14.8462 -14.8460 -13.8839 -13.8837 -11.7324 -11.7320 -11.1314 -11.1309 -3.0531 -3.0523 -1.5763 -1.5760 -0.5125 -0.5118 0.1570 0.1612 2.9521 2.9532 3.3648 3.3691 4.4309 4.4341 5.2939 5.2961 5.8543 5.8581 7.2414 7.2437 7.5277 7.5324 8.3398 8.3449 16.3250 16.3256 17.4602 17.4616 19.0992 19.1024 19.3803 19.3859 k =-0.3197 0.3722 0.5598 ( 1417 PWs) bands (ev): -14.8532 -14.8529 -13.8805 -13.8802 -11.7355 -11.7351 -11.1231 -11.1227 -3.0588 -3.0579 -1.5416 -1.5414 -0.5373 -0.5365 0.1575 0.1619 2.9556 2.9567 3.3786 3.3830 4.4126 4.4155 5.3435 5.3456 5.7931 5.7967 7.2432 7.2456 7.5175 7.5225 8.3456 8.3508 16.3062 16.3068 17.4587 17.4601 19.1070 19.1102 19.3933 19.3989 k =-0.3253 0.3787 0.5512 ( 1418 PWs) bands (ev): -14.8585 -14.8583 -13.8778 -13.8776 -11.7380 -11.7375 -11.1166 -11.1162 -3.0634 -3.0625 -1.5133 -1.5131 -0.5580 -0.5571 0.1580 0.1624 2.9582 2.9592 3.3902 3.3945 4.3977 4.4001 5.3948 5.3968 5.7329 5.7363 7.2449 7.2474 7.5092 7.5144 8.3502 8.3554 16.2916 16.2921 17.4576 17.4589 19.1131 19.1163 19.4038 19.4093 k =-0.3310 0.3853 0.5425 ( 1418 PWs) bands (ev): -14.8624 -14.8622 -13.8759 -13.8757 -11.7397 -11.7393 -11.1119 -11.1115 -3.0667 -3.0658 -1.4921 -1.4920 -0.5737 -0.5726 0.1584 0.1629 2.9601 2.9610 3.3991 3.4033 4.3866 4.3886 5.4475 5.4494 5.6738 5.6771 7.2462 7.2488 7.5032 7.5086 8.3535 8.3586 16.2811 16.2816 17.4568 17.4580 19.1176 19.1207 19.4116 19.4170 k =-0.3366 0.3919 0.5339 ( 1422 PWs) bands (ev): -14.8647 -14.8645 -13.8748 -13.8746 -11.7408 -11.7403 -11.1091 -11.1086 -3.0687 -3.0678 -1.4791 -1.4790 -0.5834 -0.5824 0.1586 0.1632 2.9611 2.9620 3.4046 3.4087 4.3797 4.3814 5.5012 5.5030 5.6162 5.6197 7.2471 7.2498 7.4994 7.5050 8.3554 8.3606 16.2747 16.2752 17.4563 17.4575 19.1202 19.1233 19.4163 19.4217 k =-0.3422 0.3984 0.5252 ( 1420 PWs) bands (ev): -14.8655 -14.8653 -13.8744 -13.8742 -11.7411 -11.7406 -11.1081 -11.1077 -3.0694 -3.0685 -1.4746 -1.4746 -0.5868 -0.5857 0.1587 0.1633 2.9615 2.9623 3.4065 3.4106 4.3775 4.3790 5.5454 5.5475 5.5694 5.5753 7.2474 7.2501 7.4982 7.5037 8.3561 8.3613 16.2726 16.2731 17.4561 17.4573 19.1211 19.1242 19.4180 19.4233 k =-0.3422 0.3984 0.5252 ( 1420 PWs) bands (ev): -14.8655 -14.8653 -13.8744 -13.8742 -11.7411 -11.7406 -11.1081 -11.1077 -3.0694 -3.0685 -1.4746 -1.4746 -0.5868 -0.5857 0.1587 0.1633 2.9615 2.9623 3.4065 3.4106 4.3775 4.3790 5.5454 5.5475 5.5694 5.5753 7.2474 7.2501 7.4982 7.5037 8.3561 8.3613 16.2726 16.2731 17.4561 17.4573 19.1211 19.1242 19.4180 19.4233 k =-0.3365 0.3918 0.5165 ( 1412 PWs) bands (ev): -14.8994 -14.8992 -13.8309 -13.8306 -11.7471 -11.7466 -11.0911 -11.0907 -3.1242 -3.1234 -1.4579 -1.4578 -0.6237 -0.6226 0.1736 0.1782 2.9720 2.9723 3.3661 3.3697 4.4134 4.4146 5.5261 5.5283 5.6003 5.6060 7.2044 7.2071 7.5486 7.5543 8.3605 8.3657 16.2818 16.2822 17.5130 17.5142 19.1257 19.1285 19.4264 19.4318 k =-0.3308 0.3851 0.5077 ( 1410 PWs) bands (ev): -14.9349 -14.9346 -13.7861 -13.7858 -11.7513 -11.7509 -11.0737 -11.0733 -3.1802 -3.1794 -1.4445 -1.4444 -0.6610 -0.6599 0.1890 0.1937 2.9821 2.9826 3.3340 3.3369 4.4494 4.4503 5.5043 5.5066 5.6332 5.6386 7.1608 7.1637 7.5953 7.6010 8.3628 8.3679 16.2929 16.2934 17.5705 17.5716 19.1256 19.1281 19.4300 19.4354 k =-0.3251 0.3785 0.4990 ( 1410 PWs) bands (ev): -14.9718 -14.9716 -13.7400 -13.7397 -11.7538 -11.7533 -11.0560 -11.0555 -3.2371 -3.2363 -1.4344 -1.4343 -0.6986 -0.6974 0.2048 0.2095 2.9879 2.9894 3.3140 3.3159 4.4854 4.4861 5.4800 5.4823 5.6680 5.6732 7.1168 7.1197 7.6380 7.6438 8.3627 8.3678 16.3061 16.3065 17.6284 17.6296 19.1213 19.1234 19.4287 19.4341 k =-0.3194 0.3719 0.4902 ( 1410 PWs) bands (ev): -15.0102 -15.0099 -13.6927 -13.6924 -11.7546 -11.7541 -11.0380 -11.0375 -3.2949 -3.2942 -1.4277 -1.4275 -0.7363 -0.7351 0.2211 0.2258 2.9859 2.9885 3.3099 3.3108 4.5215 4.5219 5.4532 5.4556 5.7048 5.7097 7.0724 7.0754 7.6768 7.6827 8.3602 8.3653 16.3213 16.3216 17.6869 17.6879 19.1133 19.1149 19.4225 19.4279 k =-0.3137 0.3652 0.4815 ( 1410 PWs) bands (ev): -15.0499 -15.0496 -13.6442 -13.6439 -11.7536 -11.7531 -11.0197 -11.0192 -3.3535 -3.3528 -1.4241 -1.4239 -0.7742 -0.7729 0.2375 0.2423 2.9738 2.9775 3.3237 3.3238 4.5576 4.5577 5.4241 5.4265 5.7434 5.7480 7.0276 7.0307 7.7115 7.7175 8.3555 8.3605 16.3383 16.3385 17.7456 17.7466 19.1024 19.1034 19.4113 19.4167 k =-0.3080 0.3586 0.4727 ( 1406 PWs) bands (ev): -15.0908 -15.0905 -13.5945 -13.5942 -11.7509 -11.7503 -11.0010 -11.0005 -3.4127 -3.4122 -1.4235 -1.4232 -0.8120 -0.8108 0.2542 0.2589 2.9528 2.9572 3.3536 3.3543 4.5934 4.5936 5.3927 5.3952 5.7838 5.7881 6.9826 6.9858 7.7421 7.7482 8.3485 8.3535 16.3571 16.3572 17.8046 17.8056 19.0890 19.0895 19.3952 19.4005 k =-0.3023 0.3519 0.4639 ( 1406 PWs) bands (ev): -15.1328 -15.1326 -13.5437 -13.5434 -11.7465 -11.7460 -10.9822 -10.9817 -3.4726 -3.4721 -1.4257 -1.4254 -0.8499 -0.8486 0.2710 0.2757 2.9256 2.9304 3.3975 3.3986 4.6290 4.6295 5.3591 5.3616 5.8260 5.8300 6.9374 6.9406 7.7685 7.7747 8.3392 8.3441 16.3775 16.3776 17.8637 17.8646 19.0736 19.0737 19.3740 19.3794 k =-0.2966 0.3453 0.4552 ( 1406 PWs) bands (ev): -15.1760 -15.1757 -13.4918 -13.4915 -11.7405 -11.7400 -10.9631 -10.9626 -3.5330 -3.5326 -1.4306 -1.4302 -0.8875 -0.8862 0.2877 0.2925 2.8950 2.9000 3.4523 3.4536 4.6645 4.6653 5.3234 5.3260 5.8699 5.8736 6.8920 6.8952 7.7906 7.7969 8.3277 8.3326 16.3994 16.3994 17.9227 17.9236 19.0563 19.0569 19.3480 19.3534 k =-0.2909 0.3387 0.4464 ( 1405 PWs) bands (ev): -15.2200 -15.2198 -13.4389 -13.4386 -11.7330 -11.7324 -10.9438 -10.9433 -3.5939 -3.5935 -1.4378 -1.4374 -0.9250 -0.9236 0.3043 0.3091 2.8627 2.8679 3.5157 3.5171 4.6999 4.7010 5.2856 5.2883 5.9153 5.9187 6.8465 6.8498 7.8085 7.8149 8.3141 8.3190 16.4226 16.4227 17.9817 17.9825 19.0380 19.0391 19.3172 19.3226 k =-0.2852 0.3320 0.4377 ( 1401 PWs) bands (ev): -15.2650 -15.2647 -13.3850 -13.3846 -11.7239 -11.7234 -10.9243 -10.9238 -3.6550 -3.6547 -1.4472 -1.4467 -0.9621 -0.9608 0.3208 0.3255 2.8302 2.8354 3.5862 3.5876 4.7351 4.7365 5.2460 5.2487 5.9622 5.9652 6.8010 6.8042 7.8221 7.8286 8.2986 8.3035 16.4469 16.4472 18.0404 18.0411 19.0191 19.0206 19.2819 19.2872 k =-0.2795 0.3254 0.4289 ( 1391 PWs) bands (ev): -15.3106 -15.3104 -13.3300 -13.3297 -11.7134 -11.7129 -10.9047 -10.9042 -3.7165 -3.7162 -1.4584 -1.4579 -0.9989 -0.9976 0.3369 0.3416 2.7980 2.8033 3.6627 3.6641 4.7702 4.7718 5.2045 5.2073 6.0104 6.0130 6.7555 6.7587 7.8315 7.8381 8.2813 8.2862 16.4722 16.4726 18.0986 18.0993 18.9996 19.0017 19.2421 19.2474 k =-0.2738 0.3187 0.4202 ( 1395 PWs) bands (ev): -15.3569 -15.3567 -13.2742 -13.2739 -11.7016 -11.7011 -10.8850 -10.8844 -3.7781 -3.7779 -1.4713 -1.4707 -1.0353 -1.0339 0.3525 0.3573 2.7667 2.7720 3.7441 3.7455 4.8051 4.8069 5.1614 5.1643 6.0597 6.0619 6.7102 6.7132 7.8367 7.8433 8.2623 8.2672 16.4983 16.4988 18.1562 18.1567 18.9800 18.9824 19.1983 19.2036 k =-0.2681 0.3121 0.4114 ( 1391 PWs) bands (ev): -15.4038 -15.4035 -13.2175 -13.2171 -11.6886 -11.6880 -10.8651 -10.8645 -3.8399 -3.8397 -1.4854 -1.4848 -1.0712 -1.0698 0.3676 0.3724 2.7367 2.7420 3.8300 3.8313 4.8398 4.8419 5.1168 5.1198 6.1099 6.1116 6.6653 6.6679 7.8376 7.8444 8.2419 8.2468 16.5248 16.5256 18.2130 18.2135 18.9604 18.9632 19.1508 19.1561 k =-0.2624 0.3054 0.4027 ( 1395 PWs) bands (ev): -15.4510 -15.4508 -13.1600 -13.1596 -11.6744 -11.6738 -10.8452 -10.8446 -3.9017 -3.9015 -1.5007 -1.5000 -1.1065 -1.1051 0.3821 0.3868 2.7081 2.7134 3.9194 3.9206 4.8743 4.8766 5.0709 5.0739 6.1606 6.1616 6.6210 6.6232 7.8345 7.8414 8.2202 8.2251 16.5516 16.5525 18.2685 18.2688 18.9408 18.9440 19.1002 19.1055 k =-0.2567 0.2988 0.3939 ( 1395 PWs) bands (ev): -15.4986 -15.4984 -13.1017 -13.1013 -11.6591 -11.6585 -10.8252 -10.8246 -3.9634 -3.9633 -1.5168 -1.5160 -1.1411 -1.1397 0.3958 0.4005 2.6812 2.6865 4.0117 4.0129 4.9086 4.9110 5.0240 5.0272 6.2111 6.2111 6.5782 6.5796 7.8274 7.8343 8.1975 8.2024 16.5783 16.5795 18.3224 18.3226 18.9214 18.9249 19.0472 19.0525 k =-0.2510 0.2922 0.3852 ( 1399 PWs) bands (ev): -15.5464 -15.5462 -13.0426 -13.0422 -11.6428 -11.6422 -10.8051 -10.8045 -4.0251 -4.0250 -1.5334 -1.5326 -1.1751 -1.1736 0.4086 0.4133 2.6560 2.6612 4.1063 4.1074 4.9427 4.9449 4.9766 4.9802 6.2583 6.2598 6.5385 6.5385 7.8164 7.8233 8.1739 8.1789 16.6047 16.6060 18.3741 18.3742 18.9023 18.9061 18.9926 18.9980 k =-0.2453 0.2855 0.3764 ( 1395 PWs) bands (ev): -15.5943 -15.5941 -12.9829 -12.9825 -11.6256 -11.6251 -10.7851 -10.7845 -4.0865 -4.0865 -1.5504 -1.5496 -1.2082 -1.2068 0.4204 0.4252 2.6325 2.6378 4.2020 4.2031 4.9292 4.9318 4.9767 4.9801 6.2987 6.3030 6.5038 6.5064 7.8017 7.8087 8.1498 8.1549 16.6303 16.6318 18.4227 18.4227 18.8835 18.8876 18.9378 18.9432 k =-0.2396 0.2789 0.3677 ( 1391 PWs) bands (ev): -15.6422 -15.6420 -12.9226 -12.9222 -11.6077 -11.6071 -10.7651 -10.7645 -4.1478 -4.1477 -1.5676 -1.5667 -1.2405 -1.2391 0.4312 0.4359 2.6110 2.6162 4.2972 4.2982 4.8834 4.8863 5.0104 5.0137 6.3212 6.3294 6.4863 6.4927 7.7832 7.7903 8.1255 8.1306 16.6547 16.6565 18.4662 18.4665 18.8651 18.8693 18.8850 18.8902 k =-0.2339 0.2722 0.3589 ( 1393 PWs) bands (ev): -15.6901 -15.6899 -12.8618 -12.8614 -11.5890 -11.5884 -10.7451 -10.7445 -4.2088 -4.2087 -1.5846 -1.5838 -1.2720 -1.2705 0.4407 0.4454 2.5914 2.5966 4.3887 4.3896 4.8421 4.8450 5.0439 5.0473 6.3140 6.3241 6.5008 6.5092 7.7613 7.7684 8.1010 8.1062 16.6775 16.6796 18.5018 18.5025 18.8369 18.8421 18.8472 18.8518 k =-0.2282 0.2656 0.3501 ( 1393 PWs) bands (ev): -15.7378 -15.7376 -12.8004 -12.8000 -11.5697 -11.5691 -10.7252 -10.7246 -4.2694 -4.2692 -1.6015 -1.6006 -1.3024 -1.3010 0.4490 0.4536 2.5737 2.5789 4.4691 4.4697 4.8126 4.8153 5.0772 5.0807 6.2843 6.2940 6.5404 6.5484 7.7361 7.7432 8.0768 8.0822 16.6983 16.7006 18.5238 18.5253 18.8006 18.8052 18.8296 18.8343 k =-0.2225 0.2590 0.3414 ( 1399 PWs) bands (ev): -15.7852 -15.7850 -12.7387 -12.7383 -11.5498 -11.5493 -10.7054 -10.7048 -4.3295 -4.3294 -1.6179 -1.6170 -1.3319 -1.3305 0.4558 0.4605 2.5580 2.5631 4.5218 4.5220 4.8113 4.8134 5.1103 5.1139 6.2445 6.2535 6.5906 6.5980 7.7077 7.7149 8.0530 8.0585 16.7164 16.7190 18.5247 18.5274 18.7836 18.7869 18.8124 18.8170 k =-0.2167 0.2523 0.3326 ( 1395 PWs) bands (ev): -15.8323 -15.8321 -12.6766 -12.6762 -11.5296 -11.5290 -10.6856 -10.6850 -4.3892 -4.3890 -1.6338 -1.6328 -1.3603 -1.3588 0.4612 0.4658 2.5442 2.5493 4.5293 4.5306 4.8547 4.8558 5.1432 5.1469 6.2002 6.2087 6.6452 6.6522 7.6764 7.6836 8.0299 8.0357 16.7314 16.7343 18.5027 18.5067 18.7882 18.7884 18.7976 18.8002 k =-0.2110 0.2457 0.3239 ( 1395 PWs) bands (ev): -15.8790 -15.8788 -12.6142 -12.6138 -11.5089 -11.5084 -10.6661 -10.6655 -4.4484 -4.4482 -1.6489 -1.6479 -1.3875 -1.3861 0.4650 0.4696 2.5324 2.5375 4.5019 4.5039 4.9328 4.9333 5.1760 5.1797 6.1536 6.1617 6.7018 6.7086 7.6424 7.6496 8.0077 8.0138 16.7425 16.7457 18.4653 18.4702 18.7778 18.7837 18.8077 18.8103 k =-0.2053 0.2390 0.3151 ( 1391 PWs) bands (ev): -15.9252 -15.9250 -12.5516 -12.5512 -11.4880 -11.4875 -10.6467 -10.6460 -4.5069 -4.5067 -1.6632 -1.6622 -1.4136 -1.4122 0.4671 0.4717 2.5226 2.5276 4.4576 4.4599 5.0274 5.0276 5.2085 5.2122 6.1057 6.1134 6.7596 6.7663 7.6059 7.6131 7.9867 7.9931 16.7493 16.7527 18.4210 18.4265 18.7619 18.7676 18.8338 18.8357 k =-0.1996 0.2324 0.3064 ( 1389 PWs) bands (ev): -15.9708 -15.9706 -12.4889 -12.4885 -11.4669 -11.4664 -10.6274 -10.6268 -4.5648 -4.5646 -1.6765 -1.6755 -1.4385 -1.4371 0.4675 0.4721 2.5147 2.5197 4.4055 4.4081 5.1291 5.1293 5.2408 5.2445 6.0567 6.0642 6.8178 6.8247 7.5672 7.5744 7.9669 7.9738 16.7509 16.7547 18.3752 18.3812 18.7461 18.7517 18.8618 18.8633 k =-0.1939 0.2258 0.2976 ( 1381 PWs) bands (ev): -16.0158 -16.0156 -12.4262 -12.4257 -11.4457 -11.4452 -10.6084 -10.6078 -4.6220 -4.6217 -1.6888 -1.6877 -1.4621 -1.4607 0.4661 0.4707 2.5087 2.5137 4.3493 4.3520 5.2340 5.2343 5.2732 5.2767 6.0071 6.0143 6.8764 6.8835 7.5265 7.5337 7.9487 7.9560 16.7470 16.7510 18.3311 18.3374 18.7306 18.7361 18.8890 18.8903 k =-0.1882 0.2191 0.2889 ( 1383 PWs) bands (ev): -16.0601 -16.0599 -12.3634 -12.3630 -11.4244 -11.4239 -10.5896 -10.5890 -4.6785 -4.6782 -1.6999 -1.6988 -1.4845 -1.4831 0.4629 0.4674 2.5046 2.5096 4.2907 4.2934 5.3042 5.3084 5.3409 5.3413 5.9570 5.9640 6.9349 6.9423 7.4841 7.4913 7.9321 7.9399 16.7369 16.7411 18.2905 18.2970 18.7152 18.7207 18.9140 18.9152 k =-0.1825 0.2125 0.2801 ( 1387 PWs) bands (ev): -16.1036 -16.1034 -12.3009 -12.3004 -11.4032 -11.4027 -10.5711 -10.5705 -4.7342 -4.7338 -1.7098 -1.7087 -1.5055 -1.5041 0.4579 0.4623 2.5024 2.5073 4.2304 4.2332 5.3362 5.3402 5.4477 5.4479 5.9065 5.9133 6.9932 7.0011 7.4404 7.4476 7.9172 7.9256 16.7203 16.7246 18.2547 18.2613 18.7001 18.7055 18.9359 18.9369 k =-0.1768 0.2058 0.2714 ( 1391 PWs) bands (ev): -16.1463 -16.1462 -12.2385 -12.2380 -11.3821 -11.3816 -10.5528 -10.5522 -4.7890 -4.7886 -1.7185 -1.7174 -1.5251 -1.5237 0.4509 0.4553 2.5020 2.5068 4.1690 4.1718 5.3677 5.3716 5.5540 5.5542 5.8558 5.8624 7.0511 7.0595 7.3956 7.4028 7.9042 7.9133 16.6970 16.7014 18.2242 18.2309 18.6853 18.6906 18.9541 18.9551 k =-0.1711 0.1992 0.2626 ( 1395 PWs) bands (ev): -16.1881 -16.1880 -12.1764 -12.1759 -11.3612 -11.3607 -10.5349 -10.5343 -4.8428 -4.8424 -1.7258 -1.7247 -1.5433 -1.5419 0.4420 0.4463 2.5033 2.5081 4.1069 4.1097 5.3989 5.4028 5.6593 5.6595 5.8051 5.8115 7.1084 7.1175 7.3503 7.3575 7.8932 7.9030 16.6672 16.6716 18.1996 18.2062 18.6707 18.6758 18.9684 18.9692 k =-0.1654 0.1926 0.2539 ( 1395 PWs) bands (ev): -16.2290 -16.2289 -12.1147 -12.1142 -11.3404 -11.3399 -10.5172 -10.5167 -4.8958 -4.8953 -1.7318 -1.7307 -1.5601 -1.5588 0.4312 0.4355 2.5064 2.5111 4.0442 4.0470 5.4299 5.4337 5.7519 5.7604 5.7631 5.7653 7.1650 7.1748 7.3050 7.3121 7.8841 7.8948 16.6311 16.6355 18.1808 18.1873 18.6563 18.6613 18.9784 18.9792 k =-0.1597 0.1859 0.2451 ( 1395 PWs) bands (ev): -16.2690 -16.2688 -12.0535 -12.0531 -11.3200 -11.3195 -10.5000 -10.4994 -4.9477 -4.9472 -1.7365 -1.7353 -1.5755 -1.5741 0.4185 0.4227 2.5111 2.5158 3.9812 3.9839 5.4606 5.4643 5.7034 5.7097 5.8642 5.8644 7.2206 7.2312 7.2603 7.2672 7.8771 7.8888 16.5891 16.5935 18.1676 18.1740 18.6421 18.6470 18.9840 18.9847 k =-0.1540 0.1793 0.2363 ( 1395 PWs) bands (ev): -16.3078 -16.3077 -11.9930 -11.9925 -11.2999 -11.2994 -10.4831 -10.4825 -4.9985 -4.9981 -1.7397 -1.7386 -1.5894 -1.5881 0.4039 0.4080 2.5173 2.5220 3.9180 3.9208 5.4909 5.4947 5.6531 5.6593 5.9621 5.9622 7.2166 7.2236 7.2751 7.2869 7.8722 7.8850 16.5420 16.5462 18.1596 18.1659 18.6281 18.6329 18.9852 18.9857 k =-0.1483 0.1726 0.2276 ( 1395 PWs) bands (ev): -16.3456 -16.3455 -11.9331 -11.9326 -11.2802 -11.2798 -10.4666 -10.4660 -5.0483 -5.0478 -1.7416 -1.7405 -1.6019 -1.6005 0.3875 0.3916 2.5251 2.5297 3.8549 3.8576 5.5209 5.5247 5.6033 5.6094 6.0558 6.0559 7.1755 7.1823 7.3281 7.3411 7.8694 7.8835 16.4904 16.4944 18.1563 18.1624 18.6144 18.6190 18.9820 18.9823 k =-0.1426 0.1660 0.2188 ( 1395 PWs) bands (ev): -16.3823 -16.3822 -11.8741 -11.8736 -11.2610 -11.2605 -10.4505 -10.4499 -5.0968 -5.0963 -1.7421 -1.7410 -1.6128 -1.6115 0.3693 0.3733 2.5343 2.5388 3.7919 3.7946 5.5487 5.5537 5.5547 5.5619 6.1438 6.1438 7.1380 7.1446 7.3796 7.3939 7.8689 7.8843 16.4351 16.4390 18.1570 18.1629 18.6010 18.6053 18.9745 18.9747 k =-0.1369 0.1594 0.2101 ( 1391 PWs) bands (ev): -16.4179 -16.4178 -11.8159 -11.8155 -11.2422 -11.2418 -10.4348 -10.4343 -5.1442 -5.1437 -1.7414 -1.7402 -1.6223 -1.6210 0.3495 0.3534 2.5449 2.5493 3.7293 3.7320 5.5055 5.5105 5.5808 5.5837 6.2242 6.2243 7.1060 7.1124 7.4291 7.4449 7.8705 7.8874 16.3771 16.3807 18.1612 18.1669 18.5878 18.5920 18.9629 18.9630 k =-0.1312 0.1527 0.2013 ( 1391 PWs) bands (ev): -16.4522 -16.4521 -11.7589 -11.7584 -11.2240 -11.2236 -10.4196 -10.4191 -5.1903 -5.1898 -1.7393 -1.7382 -1.6304 -1.6291 0.3280 0.3318 2.5566 2.5610 3.6672 3.6698 5.4579 5.4629 5.6095 5.6126 6.2946 6.2949 7.0821 7.0881 7.4765 7.4939 7.8745 7.8931 16.3169 16.3203 18.1683 18.1737 18.5749 18.5788 18.9474 18.9474 k =-0.1255 0.1461 0.1926 ( 1383 PWs) bands (ev): -16.4853 -16.4852 -11.7029 -11.7025 -11.2063 -11.2059 -10.4049 -10.4044 -5.2350 -5.2345 -1.7360 -1.7349 -1.6370 -1.6357 0.3051 0.3088 2.5695 2.5738 3.6057 3.6083 5.4113 5.4161 5.6380 5.6410 6.3520 6.3527 7.0691 7.0747 7.5215 7.5405 7.8810 7.9013 16.2553 16.2586 18.1777 18.1829 18.5624 18.5661 18.9284 18.9286 k =-0.1198 0.1394 0.1838 ( 1387 PWs) bands (ev): -16.5172 -16.5171 -11.6483 -11.6478 -11.1893 -11.1889 -10.3907 -10.3902 -5.2784 -5.2779 -1.7316 -1.7305 -1.6422 -1.6409 0.2807 0.2844 2.5834 2.5876 3.5450 3.5476 5.3659 5.3705 5.6659 5.6688 6.3934 6.3945 7.0702 7.0751 7.5636 7.5843 7.8901 7.9121 16.1929 16.1960 18.1888 18.1939 18.5502 18.5536 18.9062 18.9065 k =-0.1141 0.1328 0.1751 ( 1389 PWs) bands (ev): -16.5477 -16.5476 -11.5950 -11.5946 -11.1729 -11.1725 -10.3770 -10.3765 -5.3203 -5.3198 -1.7261 -1.7251 -1.6459 -1.6447 0.2552 0.2587 2.5982 2.6023 3.4854 3.4878 5.3217 5.3262 5.6933 5.6961 6.4169 6.4186 7.0870 7.0912 7.6026 7.6248 7.9021 7.9256 16.1305 16.1334 18.2013 18.2062 18.5382 18.5415 18.8812 18.8817 k =-0.1084 0.1262 0.1663 ( 1387 PWs) bands (ev): -16.5770 -16.5769 -11.5433 -11.5429 -11.1571 -11.1568 -10.3638 -10.3634 -5.3607 -5.3602 -1.7197 -1.7186 -1.6484 -1.6471 0.2286 0.2320 2.6138 2.6178 3.4269 3.4293 5.2791 5.2833 5.7200 5.7227 6.4234 6.4256 7.1189 7.1223 7.6382 7.6616 7.9172 7.9418 16.0686 16.0712 18.2148 18.2195 18.5267 18.5297 18.8538 18.8544 k =-0.1027 0.1195 0.1576 ( 1387 PWs) bands (ev): -16.6049 -16.6048 -11.4932 -11.4928 -11.1421 -11.1417 -10.3513 -10.3508 -5.3996 -5.3991 -1.7123 -1.7113 -1.6495 -1.6483 0.2012 0.2044 2.6300 2.6339 3.3697 3.3720 5.2379 5.2419 5.7460 5.7486 6.4155 6.4182 7.1632 7.1659 7.6703 7.6943 7.9354 7.9607 16.0075 16.0100 18.2289 18.2334 18.5157 18.5184 18.8245 18.8253 k =-0.0970 0.1129 0.1488 ( 1389 PWs) bands (ev): -16.6314 -16.6313 -11.4450 -11.4445 -11.1277 -11.1274 -10.3392 -10.3389 -5.4368 -5.4363 -1.7042 -1.7032 -1.6495 -1.6482 0.1730 0.1761 2.6467 2.6504 3.3141 3.3163 5.1985 5.2023 5.7712 5.7736 6.3969 6.4000 7.2160 7.2181 7.6989 7.7229 7.9566 7.9819 15.9478 15.9501 18.2433 18.2477 18.5050 18.5075 18.7937 18.7946 k =-0.0913 0.1062 0.1401 ( 1391 PWs) bands (ev): -16.6565 -16.6564 -11.3985 -11.3981 -11.1141 -11.1138 -10.3278 -10.3275 -5.4724 -5.4719 -1.6954 -1.6945 -1.6482 -1.6470 0.1444 0.1474 2.6637 2.6673 3.2602 3.2623 5.1608 5.1644 5.7956 5.7979 6.3712 6.3745 7.2739 7.2756 7.7243 7.7476 7.9804 8.0050 15.8899 15.8920 18.2579 18.2621 18.4949 18.4972 18.7619 18.7630 k =-0.0856 0.0996 0.1313 ( 1399 PWs) bands (ev): -16.6802 -16.6801 -11.3542 -11.3538 -11.1013 -11.1010 -10.3170 -10.3167 -5.5062 -5.5058 -1.6861 -1.6852 -1.6460 -1.6448 0.1155 0.1184 2.6809 2.6844 3.2082 3.2102 5.1250 5.1283 5.8189 5.8211 6.3410 6.3444 7.3343 7.3357 7.7466 7.7686 8.0061 8.0294 15.8339 15.8359 18.2722 18.2763 18.4852 18.4873 18.7295 18.7307 k =-0.0799 0.0930 0.1226 ( 1399 PWs) bands (ev): -16.7025 -16.7024 -11.3119 -11.3116 -11.0892 -11.0889 -10.3069 -10.3065 -5.5383 -5.5378 -1.6764 -1.6756 -1.6427 -1.6416 0.0866 0.0893 2.6982 2.7015 3.1583 3.1602 5.0911 5.0943 5.8413 5.8434 6.3083 6.3117 7.3952 7.3963 7.7663 7.7868 8.0330 8.0547 15.7804 15.7822 18.2863 18.2903 18.4761 18.4780 18.6969 18.6983 k =-0.0742 0.0863 0.1138 ( 1399 PWs) bands (ev): -16.7233 -16.7232 -11.2720 -11.2716 -11.0779 -11.0777 -10.2973 -10.2970 -5.5684 -5.5680 -1.6665 -1.6657 -1.6386 -1.6375 0.0579 0.0605 2.7153 2.7185 3.1107 3.1125 5.0593 5.0622 5.8626 5.8645 6.2745 6.2779 7.4551 7.4559 7.7838 7.8024 8.0603 8.0802 15.7295 15.7311 18.2999 18.3039 18.4676 18.4693 18.6645 18.6661 k =-0.0684 0.0797 0.1050 ( 1399 PWs) bands (ev): -16.7426 -16.7426 -11.2344 -11.2340 -11.0674 -11.0672 -10.2884 -10.2881 -5.5966 -5.5962 -1.6565 -1.6558 -1.6338 -1.6328 0.0297 0.0322 2.7321 2.7351 3.0656 3.0673 5.0297 5.0323 5.8827 5.8844 6.2407 6.2440 7.5130 7.5136 7.7994 7.8161 8.0873 8.1054 15.6815 15.6830 18.3129 18.3168 18.4597 18.4611 18.6328 18.6346 k =-0.0627 0.0730 0.0963 ( 1403 PWs) bands (ev): -16.7605 -16.7604 -11.1993 -11.1990 -11.0577 -11.0575 -10.2802 -10.2799 -5.6229 -5.6225 -1.6466 -1.6459 -1.6285 -1.6275 0.0023 0.0046 2.7484 2.7512 3.0232 3.0248 5.0022 5.0046 5.9015 5.9031 6.2076 6.2108 7.5682 7.5685 7.8133 7.8282 8.1135 8.1297 15.6366 15.6380 18.3252 18.3291 18.4523 18.4536 18.6020 18.6040 k =-0.0570 0.0664 0.0875 ( 1407 PWs) bands (ev): -16.7768 -16.7767 -11.1669 -11.1666 -11.0489 -11.0487 -10.2727 -10.2724 -5.6471 -5.6468 -1.6368 -1.6362 -1.6227 -1.6217 -0.0240 -0.0219 2.7640 2.7666 2.9838 2.9852 4.9769 4.9791 5.9189 5.9204 6.1759 6.1788 7.6199 7.6201 7.8258 7.8389 8.1384 8.1529 15.5950 15.5962 18.3367 18.3406 18.4456 18.4466 18.5727 18.5749 k =-0.0513 0.0598 0.0788 ( 1411 PWs) bands (ev): -16.7916 -16.7916 -11.1371 -11.1369 -11.0408 -11.0406 -10.2658 -10.2656 -5.6692 -5.6689 -1.6275 -1.6269 -1.6167 -1.6158 -0.0490 -0.0471 2.7788 2.7813 2.9474 2.9487 4.9539 4.9559 5.9350 5.9363 6.1459 6.1487 7.6678 7.6678 7.8371 7.8484 8.1618 8.1745 15.5569 15.5580 18.3473 18.3512 18.4395 18.4403 18.5450 18.5475 k =-0.0456 0.0531 0.0700 ( 1403 PWs) bands (ev): -16.8049 -16.8049 -11.1102 -11.1100 -11.0336 -11.0334 -10.2596 -10.2594 -5.6891 -5.6888 -1.6186 -1.6181 -1.6106 -1.6097 -0.0724 -0.0707 2.7927 2.7948 2.9143 2.9155 4.9333 4.9351 5.9495 5.9508 6.1183 6.1208 7.7113 7.7116 7.8472 7.8569 8.1832 8.1943 15.5225 15.5234 18.3570 18.3609 18.4341 18.4347 18.5193 18.5221 k =-0.0399 0.0465 0.0613 ( 1395 PWs) bands (ev): -16.8166 -16.8166 -11.0863 -11.0860 -11.0272 -11.0271 -10.2542 -10.2540 -5.7068 -5.7065 -1.6104 -1.6100 -1.6047 -1.6038 -0.0938 -0.0923 2.8053 2.8073 2.8847 2.8857 4.9150 4.9165 5.9625 5.9636 6.0932 6.0955 7.7501 7.7506 7.8564 7.8644 8.2027 8.2122 15.4918 15.4926 18.3656 18.3697 18.4293 18.4297 18.4960 18.4992 k =-0.0342 0.0398 0.0525 ( 1391 PWs) bands (ev): -16.8268 -16.8268 -11.0653 -11.0651 -11.0217 -11.0215 -10.2494 -10.2493 -5.7222 -5.7220 -1.6030 -1.6027 -1.5990 -1.5982 -0.1131 -0.1117 2.8165 2.8183 2.8587 2.8595 4.8991 4.9004 5.9739 5.9749 6.0709 6.0729 7.7840 7.7848 7.8647 7.8710 8.2199 8.2279 15.4649 15.4656 18.3732 18.3774 18.4253 18.4253 18.4750 18.4787 k =-0.0285 0.0332 0.0438 ( 1395 PWs) bands (ev): -16.8355 -16.8354 -11.0474 -11.0473 -11.0170 -11.0169 -10.2454 -10.2453 -5.7354 -5.7352 -1.5966 -1.5964 -1.5938 -1.5930 -0.1299 -0.1287 2.8256 2.8274 2.8372 2.8375 4.8856 4.8867 5.9835 5.9844 6.0518 6.0535 7.8125 7.8137 7.8722 7.8769 8.2347 8.2413 15.4420 15.4426 18.3798 18.3841 18.4215 18.4219 18.4567 18.4610 k =-0.0228 0.0266 0.0350 ( 1395 PWs) bands (ev): -16.8426 -16.8425 -11.0327 -11.0326 -11.0131 -11.0130 -10.2421 -10.2420 -5.7462 -5.7460 -1.5912 -1.5911 -1.5892 -1.5885 -0.1439 -0.1430 2.8171 2.8180 2.8355 2.8364 4.8746 4.8755 5.9914 5.9921 6.0360 6.0374 7.8353 7.8369 7.8793 7.8823 8.2470 8.2523 15.4232 15.4236 18.3853 18.3897 18.4182 18.4192 18.4413 18.4463 k =-0.0171 0.0199 0.0263 ( 1395 PWs) bands (ev): -16.8481 -16.8480 -11.0212 -11.0211 -11.0101 -11.0101 -10.2395 -10.2395 -5.7546 -5.7545 -1.5869 -1.5869 -1.5853 -1.5848 -0.1551 -0.1544 2.8030 2.8036 2.8418 2.8426 4.8660 4.8667 5.9973 5.9979 6.0239 6.0250 7.8520 7.8539 7.8861 7.8876 8.2569 8.2608 15.4085 15.4088 18.3900 18.3943 18.4154 18.4172 18.4289 18.4348 k =-0.0114 0.0133 0.0175 ( 1395 PWs) bands (ev): -16.8520 -16.8520 -11.0129 -11.0129 -11.0080 -11.0079 -10.2377 -10.2376 -5.7606 -5.7605 -1.5839 -1.5839 -1.5824 -1.5820 -0.1632 -0.1627 2.7928 2.7931 2.8466 2.8471 4.8599 4.8604 6.0008 6.0012 6.0159 6.0167 7.8628 7.8646 7.8923 7.8927 8.2641 8.2667 15.3979 15.3982 18.3939 18.3978 18.4128 18.4154 18.4200 18.4264 k =-0.0057 0.0066 0.0088 ( 1391 PWs) bands (ev): -16.8544 -16.8544 -11.0080 -11.0080 -11.0066 -11.0066 -10.2366 -10.2365 -5.7642 -5.7642 -1.5821 -1.5821 -1.5805 -1.5803 -0.1680 -0.1678 2.7866 2.7868 2.8495 2.8498 4.8563 4.8565 6.0017 6.0018 6.0126 6.0129 7.8688 7.8699 7.8968 7.8968 8.2687 8.2700 15.3916 15.3917 18.3973 18.4001 18.4104 18.4114 18.4175 18.4211 k = 0.0000 0.0000 0.0000 ( 1405 PWs) bands (ev): -16.8552 -16.8552 -11.0065 -11.0065 -11.0060 -11.0060 -10.2362 -10.2362 -5.7655 -5.7655 -1.5815 -1.5815 -1.5798 -1.5798 -0.1696 -0.1696 2.7846 2.7846 2.8506 2.8506 4.8552 4.8552 6.0014 6.0014 6.0121 6.0121 7.8709 7.8709 7.8983 7.8983 8.2705 8.2705 15.3896 15.3896 18.3999 18.3999 18.4091 18.4091 18.4182 18.4182 k = 0.0000 0.0000 0.0000 ( 1405 PWs) bands (ev): -16.8552 -16.8552 -11.0065 -11.0065 -11.0060 -11.0060 -10.2362 -10.2362 -5.7655 -5.7655 -1.5815 -1.5815 -1.5798 -1.5798 -0.1696 -0.1696 2.7846 2.7846 2.8506 2.8506 4.8552 4.8552 6.0014 6.0014 6.0121 6.0121 7.8709 7.8709 7.8983 7.8983 8.2705 8.2705 15.3896 15.3896 18.3999 18.3999 18.4091 18.4091 18.4182 18.4182 k = 0.0093 0.0080-0.0000 ( 1389 PWs) bands (ev): -16.8543 -16.8543 -11.0068 -11.0068 -11.0063 -11.0063 -10.2397 -10.2397 -5.7620 -5.7620 -1.5804 -1.5804 -1.5787 -1.5787 -0.1714 -0.1714 2.7868 2.7868 2.8508 2.8508 4.8548 4.8548 6.0018 6.0018 6.0125 6.0125 7.8701 7.8701 7.8975 7.8975 8.2683 8.2683 15.3924 15.3924 18.4017 18.4017 18.4081 18.4081 18.4174 18.4174 k = 0.0185 0.0159-0.0000 ( 1401 PWs) bands (ev): -16.8517 -16.8517 -11.0078 -11.0078 -11.0073 -11.0073 -10.2503 -10.2503 -5.7518 -5.7518 -1.5769 -1.5769 -1.5752 -1.5752 -0.1769 -0.1769 2.7933 2.7933 2.8513 2.8513 4.8535 4.8535 6.0029 6.0029 6.0136 6.0136 7.8673 7.8673 7.8947 7.8947 8.2610 8.2610 15.4008 15.4008 18.4047 18.4047 18.4064 18.4064 18.4149 18.4149 k = 0.0278 0.0239-0.0000 ( 1401 PWs) bands (ev): -16.8474 -16.8474 -11.0094 -11.0094 -11.0089 -11.0089 -10.2679 -10.2679 -5.7348 -5.7348 -1.5712 -1.5712 -1.5695 -1.5695 -0.1859 -0.1859 2.8042 2.8042 2.8521 2.8521 4.8515 4.8515 6.0048 6.0048 6.0154 6.0154 7.8628 7.8628 7.8901 7.8901 8.2490 8.2490 15.4148 15.4148 18.3991 18.3991 18.4064 18.4064 18.4185 18.4185 k = 0.0370 0.0318-0.0000 ( 1401 PWs) bands (ev): -16.8414 -16.8414 -11.0117 -11.0117 -11.0112 -11.0112 -10.2922 -10.2922 -5.7113 -5.7113 -1.5631 -1.5631 -1.5614 -1.5614 -0.1984 -0.1984 2.8191 2.8191 2.8533 2.8533 4.8488 4.8488 6.0073 6.0073 6.0180 6.0180 7.8566 7.8566 7.8838 7.8838 8.2322 8.2322 15.4344 15.4344 18.3913 18.3913 18.3992 18.3992 18.4307 18.4307 k = 0.0463 0.0398-0.0000 ( 1401 PWs) bands (ev): -16.8337 -16.8337 -11.0146 -11.0146 -11.0141 -11.0141 -10.3231 -10.3231 -5.6815 -5.6815 -1.5528 -1.5528 -1.5511 -1.5511 -0.2142 -0.2142 2.8381 2.8381 2.8549 2.8549 4.8454 4.8454 6.0105 6.0105 6.0211 6.0211 7.8486 7.8486 7.8758 7.8758 8.2107 8.2107 15.4594 15.4594 18.3813 18.3813 18.3892 18.3892 18.4470 18.4470 k = 0.0556 0.0477-0.0000 ( 1401 PWs) bands (ev): -16.8243 -16.8243 -11.0181 -11.0181 -11.0176 -11.0176 -10.3602 -10.3602 -5.6457 -5.6457 -1.5403 -1.5403 -1.5385 -1.5385 -0.2333 -0.2333 2.8563 2.8563 2.8614 2.8614 4.8414 4.8414 6.0143 6.0143 6.0249 6.0249 7.8390 7.8390 7.8661 7.8661 8.1847 8.1847 15.4898 15.4898 18.3690 18.3690 18.3769 18.3769 18.4668 18.4668 k = 0.0648 0.0557-0.0000 ( 1405 PWs) bands (ev): -16.8131 -16.8131 -11.0222 -11.0222 -11.0217 -11.0217 -10.4033 -10.4033 -5.6042 -5.6042 -1.5255 -1.5255 -1.5238 -1.5238 -0.2553 -0.2553 2.8586 2.8586 2.8876 2.8876 4.8369 4.8369 6.0186 6.0186 6.0291 6.0291 7.8279 7.8279 7.8550 7.8550 8.1542 8.1542 15.5254 15.5254 18.3543 18.3543 18.3621 18.3621 18.4897 18.4897 k = 0.0741 0.0636-0.0000 ( 1405 PWs) bands (ev): -16.8003 -16.8003 -11.0269 -11.0269 -11.0263 -11.0263 -10.4519 -10.4519 -5.5574 -5.5574 -1.5086 -1.5086 -1.5068 -1.5068 -0.2801 -0.2801 2.8611 2.8611 2.9174 2.9174 4.8319 4.8319 6.0233 6.0233 6.0338 6.0338 7.8154 7.8154 7.8424 7.8424 8.1193 8.1193 15.5662 15.5662 18.3375 18.3375 18.3451 18.3451 18.5158 18.5158 k = 0.0833 0.0716-0.0000 ( 1401 PWs) bands (ev): -16.7857 -16.7857 -11.0321 -11.0321 -11.0316 -11.0316 -10.5058 -10.5058 -5.5057 -5.5057 -1.4895 -1.4895 -1.4877 -1.4877 -0.3075 -0.3075 2.8638 2.8638 2.9503 2.9503 4.8266 4.8266 6.0284 6.0284 6.0389 6.0389 7.8017 7.8017 7.8285 7.8285 8.0803 8.0803 15.6119 15.6119 18.3183 18.3183 18.3258 18.3258 18.5447 18.5447 k = 0.0926 0.0795-0.0000 ( 1393 PWs) bands (ev): -16.7694 -16.7694 -11.0379 -11.0379 -11.0374 -11.0374 -10.5645 -10.5645 -5.4494 -5.4494 -1.4684 -1.4684 -1.4666 -1.4666 -0.3373 -0.3373 2.8668 2.8668 2.9861 2.9861 4.8212 4.8212 6.0337 6.0337 6.0441 6.0441 7.7869 7.7869 7.8136 7.8136 8.0374 8.0374 15.6624 15.6624 18.2970 18.2970 18.3042 18.3042 18.5762 18.5762 k = 0.1019 0.0875-0.0000 ( 1392 PWs) bands (ev): -16.7514 -16.7514 -11.0442 -11.0442 -11.0437 -11.0437 -10.6276 -10.6276 -5.3890 -5.3890 -1.4452 -1.4452 -1.4433 -1.4433 -0.3692 -0.3692 2.8700 2.8700 3.0245 3.0245 4.8156 4.8156 6.0390 6.0390 6.0494 6.0494 7.7710 7.7710 7.7976 7.7976 7.9905 7.9905 15.7175 15.7175 18.2732 18.2732 18.2802 18.2802 18.6099 18.6099 k = 0.1111 0.0954-0.0000 ( 1392 PWs) bands (ev): -16.7318 -16.7318 -11.0510 -11.0510 -11.0505 -11.0505 -10.6949 -10.6949 -5.3249 -5.3249 -1.4200 -1.4200 -1.4181 -1.4181 -0.4031 -0.4031 2.8735 2.8735 3.0652 3.0652 4.8100 4.8100 6.0443 6.0443 6.0546 6.0546 7.7543 7.7543 7.7809 7.7809 7.9400 7.9400 15.7770 15.7770 18.2471 18.2471 18.2538 18.2538 18.6456 18.6456 k = 0.1204 0.1034-0.0000 ( 1392 PWs) bands (ev): -16.7104 -16.7104 -11.0583 -11.0583 -11.0578 -11.0578 -10.7659 -10.7659 -5.2573 -5.2573 -1.3929 -1.3929 -1.3910 -1.3910 -0.4387 -0.4387 2.8772 2.8772 3.1078 3.1078 4.8046 4.8046 6.0493 6.0493 6.0595 6.0595 7.7369 7.7369 7.7636 7.7636 7.8861 7.8861 15.8406 15.8406 18.2187 18.2187 18.2252 18.2252 18.6829 18.6829 k = 0.1296 0.1114-0.0000 ( 1396 PWs) bands (ev): -16.6874 -16.6874 -11.0660 -11.0660 -11.0655 -11.0655 -10.8403 -10.8403 -5.1868 -5.1868 -1.3639 -1.3639 -1.3620 -1.3620 -0.4759 -0.4759 2.8812 2.8812 3.1522 3.1522 4.7996 4.7996 6.0539 6.0539 6.0640 6.0640 7.7190 7.7190 7.7460 7.7460 7.8292 7.8292 15.9082 15.9082 18.1880 18.1880 18.1942 18.1942 18.7213 18.7213 k = 0.1389 0.1193-0.0000 ( 1400 PWs) bands (ev): -16.6626 -16.6626 -11.0741 -11.0741 -11.0736 -11.0736 -10.9178 -10.9178 -5.1136 -5.1136 -1.3332 -1.3332 -1.3312 -1.3312 -0.5143 -0.5143 2.8854 2.8854 3.1981 3.1981 4.7949 4.7949 6.0579 6.0579 6.0678 6.0678 7.7000 7.7000 7.7283 7.7283 7.7701 7.7701 15.9796 15.9796 18.1549 18.1549 18.1609 18.1609 18.7604 18.7604 k = 0.1481 0.1273-0.0000 ( 1400 PWs) bands (ev): -16.6363 -16.6363 -11.0826 -11.0826 -11.0821 -11.0821 -10.9981 -10.9981 -5.0381 -5.0381 -1.3007 -1.3007 -1.2987 -1.2987 -0.5540 -0.5540 2.8899 2.8899 3.2451 3.2451 4.7907 4.7907 6.0611 6.0611 6.0708 6.0708 7.6763 7.6763 7.7107 7.7107 7.7131 7.7131 16.0544 16.0544 18.1197 18.1197 18.1254 18.1254 18.7996 18.7996 k = 0.1574 0.1352-0.0000 ( 1400 PWs) bands (ev): -16.6082 -16.6082 -11.0915 -11.0915 -11.0910 -11.0910 -11.0808 -11.0808 -4.9605 -4.9605 -1.2665 -1.2665 -1.2645 -1.2645 -0.5946 -0.5946 2.8947 2.8947 3.2931 3.2931 4.7873 4.7873 6.0631 6.0631 6.0727 6.0727 7.6291 7.6291 7.6773 7.6773 7.6937 7.6937 16.1323 16.1323 18.0823 18.0823 18.0877 18.0877 18.8380 18.8380 k = 0.1667 0.1432-0.0000 ( 1400 PWs) bands (ev): -16.5785 -16.5785 -11.1658 -11.1658 -11.1006 -11.1006 -11.1001 -11.1001 -4.8812 -4.8812 -1.2309 -1.2309 -1.2288 -1.2288 -0.6362 -0.6362 2.8997 2.8997 3.3418 3.3418 4.7846 4.7846 6.0639 6.0639 6.0733 6.0733 7.5640 7.5640 7.6578 7.6578 7.6773 7.6773 16.2132 16.2132 18.0427 18.0427 18.0478 18.0478 18.8749 18.8749 k = 0.1759 0.1511-0.0000 ( 1420 PWs) bands (ev): -16.5471 -16.5471 -11.2527 -11.2527 -11.1100 -11.1100 -11.1096 -11.1096 -4.8005 -4.8005 -1.1937 -1.1937 -1.1916 -1.1916 -0.6784 -0.6784 2.9050 2.9050 3.3908 3.3908 4.7827 4.7827 6.0632 6.0632 6.0723 6.0723 7.4940 7.4940 7.6418 7.6418 7.6619 7.6619 16.2967 16.2967 18.0009 18.0009 18.0057 18.0057 18.9087 18.9087 k = 0.1852 0.1591-0.0000 ( 1412 PWs) bands (ev): -16.5141 -16.5141 -11.3414 -11.3414 -11.1197 -11.1197 -11.1193 -11.1193 -4.7185 -4.7185 -1.1552 -1.1552 -1.1530 -1.1530 -0.7212 -0.7212 2.9107 2.9107 3.4401 3.4401 4.7819 4.7819 6.0607 6.0607 6.0696 6.0696 7.4214 7.4214 7.6278 7.6278 7.6479 7.6479 16.3826 16.3826 17.9572 17.9572 17.9617 17.9617 18.9380 18.9380 k = 0.1944 0.1670 0.0000 ( 1412 PWs) bands (ev): -16.4794 -16.4794 -11.4316 -11.4316 -11.1296 -11.1296 -11.1292 -11.1292 -4.6356 -4.6356 -1.1154 -1.1154 -1.1132 -1.1132 -0.7645 -0.7645 2.9168 2.9168 3.4892 3.4892 4.7821 4.7821 6.0563 6.0563 6.0649 6.0649 7.3468 7.3468 7.6157 7.6157 7.6354 7.6354 16.4705 16.4705 17.9115 17.9115 17.9158 17.9158 18.9609 18.9609 k = 0.2037 0.1750-0.0000 ( 1412 PWs) bands (ev): -16.4431 -16.4431 -11.5231 -11.5231 -11.1396 -11.1396 -11.1392 -11.1392 -4.5520 -4.5520 -1.0744 -1.0744 -1.0722 -1.0722 -0.8082 -0.8082 2.9234 2.9234 3.5381 3.5381 4.7834 4.7834 6.0497 6.0497 6.0580 6.0580 7.2704 7.2704 7.6055 7.6055 7.6248 7.6248 16.5603 16.5603 17.8641 17.8641 17.8681 17.8681 18.9754 18.9754 k = 0.2130 0.1829-0.0000 ( 1412 PWs) bands (ev): -16.4051 -16.4051 -11.6157 -11.6157 -11.1498 -11.1498 -11.1494 -11.1494 -4.4679 -4.4679 -1.0323 -1.0323 -1.0301 -1.0301 -0.8522 -0.8522 2.9304 2.9304 3.5864 3.5864 4.7859 4.7859 6.0407 6.0407 6.0487 6.0487 7.1926 7.1926 7.5975 7.5975 7.6161 7.6161 16.6514 16.6514 17.8149 17.8149 17.8187 17.8187 18.9803 18.9803 k = 0.2222 0.1909-0.0000 ( 1412 PWs) bands (ev): -16.3656 -16.3656 -11.7094 -11.7094 -11.1601 -11.1601 -11.1597 -11.1597 -4.3834 -4.3834 -0.9893 -0.9893 -0.9871 -0.9871 -0.8963 -0.8963 2.9380 2.9380 3.6340 3.6340 4.7896 4.7896 6.0293 6.0293 6.0370 6.0370 7.1135 7.1135 7.5918 7.5918 7.6097 7.6097 16.7438 16.7438 17.7642 17.7642 17.7678 17.7678 18.9757 18.9757 k = 0.2315 0.1988-0.0000 ( 1412 PWs) bands (ev): -16.3244 -16.3244 -11.8039 -11.8039 -11.1704 -11.1704 -11.1700 -11.1700 -4.2989 -4.2989 -0.9457 -0.9457 -0.9450 -0.9450 -0.9386 -0.9386 2.9462 2.9462 3.6805 3.6805 4.7946 4.7946 6.0154 6.0154 6.0227 6.0227 7.0336 7.0336 7.5884 7.5884 7.6057 7.6057 16.8370 16.8370 17.7121 17.7121 17.7154 17.7154 18.9630 18.9630 k = 0.2407 0.2068-0.0000 ( 1420 PWs) bands (ev): -16.2816 -16.2816 -11.8991 -11.8991 -11.1807 -11.1807 -11.1804 -11.1804 -4.2144 -4.2144 -0.9853 -0.9853 -0.9008 -0.9008 -0.8984 -0.8984 2.9551 2.9551 3.7258 3.7258 4.8008 4.8008 5.9988 5.9988 6.0059 6.0059 6.9529 6.9529 7.5876 7.5876 7.6041 7.6041 16.9307 16.9307 17.6586 17.6586 17.6617 17.6617 18.9440 18.9440 k = 0.2500 0.2147-0.0000 ( 1420 PWs) bands (ev): -16.2373 -16.2373 -11.9948 -11.9948 -11.1911 -11.1911 -11.1907 -11.1907 -4.1301 -4.1301 -1.0297 -1.0297 -0.8556 -0.8556 -0.8533 -0.8533 2.9648 2.9648 3.7697 3.7697 4.8083 4.8083 5.9797 5.9797 5.9864 5.9864 6.8717 6.8717 7.5893 7.5893 7.6050 7.6050 17.0246 17.0246 17.6042 17.6042 17.6070 17.6070 18.9208 18.9208 k = 0.2593 0.2227-0.0000 ( 1420 PWs) bands (ev): -16.1913 -16.1913 -12.0910 -12.0910 -11.2014 -11.2014 -11.2011 -11.2011 -4.0461 -4.0461 -1.0742 -1.0742 -0.8100 -0.8100 -0.8077 -0.8077 2.9754 2.9754 3.8119 3.8119 4.8170 4.8170 5.9580 5.9580 5.9645 5.9645 6.7903 6.7903 7.5935 7.5935 7.6084 7.6084 17.1184 17.1184 17.5488 17.5488 17.5515 17.5515 18.8947 18.8947 k = 0.2685 0.2307-0.0000 ( 1420 PWs) bands (ev): -16.1438 -16.1438 -12.1875 -12.1875 -11.2116 -11.2116 -11.2113 -11.2113 -3.9627 -3.9627 -1.1186 -1.1186 -0.7640 -0.7640 -0.7617 -0.7617 2.9870 2.9870 3.8522 3.8522 4.8270 4.8270 5.9340 5.9340 5.9402 5.9402 6.7090 6.7090 7.6001 7.6001 7.6141 7.6141 17.2117 17.2117 17.4928 17.4928 17.4952 17.4952 18.8671 18.8671 k = 0.2778 0.2386-0.0000 ( 1420 PWs) bands (ev): -16.0948 -16.0948 -12.2842 -12.2842 -11.2217 -11.2217 -11.2214 -11.2214 -3.8799 -3.8799 -1.1630 -1.1630 -0.7178 -0.7178 -0.7155 -0.7155 2.9997 2.9997 3.8903 3.8903 4.8382 4.8382 5.9078 5.9078 5.9138 5.9138 6.6279 6.6279 7.6089 7.6089 7.6222 7.6222 17.3042 17.3042 17.4363 17.4363 17.4385 17.4385 18.8386 18.8386 k = 0.2870 0.2466-0.0000 ( 1420 PWs) bands (ev): -16.0441 -16.0441 -12.3811 -12.3811 -11.2317 -11.2317 -11.2314 -11.2314 -3.7978 -3.7978 -1.2073 -1.2073 -0.6716 -0.6716 -0.6693 -0.6693 3.0135 3.0135 3.9261 3.9261 4.8505 4.8505 5.8795 5.8795 5.8853 5.8853 6.5473 6.5473 7.6200 7.6200 7.6325 7.6325 17.3777 17.3777 17.3813 17.3813 17.3977 17.3977 18.8100 18.8100 k = 0.2963 0.2545-0.0000 ( 1420 PWs) bands (ev): -15.9920 -15.9920 -12.4779 -12.4779 -11.2415 -11.2415 -11.2412 -11.2412 -3.7166 -3.7166 -1.2515 -1.2515 -0.6255 -0.6255 -0.6232 -0.6232 3.0286 3.0286 3.9592 3.9592 4.8640 4.8640 5.8494 5.8494 5.8551 5.8551 6.4675 6.4675 7.6329 7.6329 7.6447 7.6447 17.3222 17.3222 17.3245 17.3245 17.4862 17.4862 18.7818 18.7818 k = 0.3056 0.2625-0.0000 ( 1420 PWs) bands (ev): -15.9383 -15.9383 -12.5748 -12.5748 -11.2511 -11.2511 -11.2508 -11.2508 -3.6364 -3.6364 -1.2956 -1.2956 -0.5797 -0.5797 -0.5774 -0.5774 3.0450 3.0450 3.9896 3.9896 4.8784 4.8784 5.8179 5.8179 5.8233 5.8233 6.3887 6.3887 7.6476 7.6476 7.6586 7.6586 17.2656 17.2656 17.2677 17.2677 17.5743 17.5743 18.7542 18.7542 k = 0.3148 0.2704-0.0000 ( 1428 PWs) bands (ev): -15.8832 -15.8832 -12.6715 -12.6715 -11.2604 -11.2604 -11.2602 -11.2602 -3.5572 -3.5572 -1.3397 -1.3397 -0.5343 -0.5343 -0.5320 -0.5320 3.0628 3.0628 4.0168 4.0168 4.8939 4.8939 5.7851 5.7851 5.7904 5.7904 6.3113 6.3113 7.6638 7.6638 7.6741 7.6741 17.2093 17.2093 17.2113 17.2113 17.6602 17.6602 18.7277 18.7277 k = 0.3241 0.2784-0.0000 ( 1420 PWs) bands (ev): -15.8265 -15.8265 -12.7680 -12.7680 -11.2695 -11.2695 -11.2692 -11.2692 -3.4791 -3.4791 -1.3837 -1.3837 -0.4895 -0.4895 -0.4872 -0.4872 3.0822 3.0822 4.0407 4.0407 4.9103 4.9103 5.7513 5.7513 5.7565 5.7565 6.2355 6.2355 7.6813 7.6813 7.6909 7.6909 17.1537 17.1537 17.1556 17.1556 17.7437 17.7437 18.7024 18.7024 k = 0.3333 0.2863-0.0000 ( 1420 PWs) bands (ev): -15.7684 -15.7684 -12.8642 -12.8642 -11.2783 -11.2783 -11.2780 -11.2780 -3.4023 -3.4023 -1.4276 -1.4276 -0.4454 -0.4454 -0.4432 -0.4432 3.1031 3.1031 4.0610 4.0610 4.9275 4.9275 5.7170 5.7170 5.7220 5.7220 6.1615 6.1615 7.6998 7.6998 7.7087 7.7087 17.0990 17.0990 17.1008 17.1008 17.8243 17.8243 18.6785 18.6785 k = 0.3426 0.2943-0.0000 ( 1420 PWs) bands (ev): -15.7088 -15.7088 -12.9600 -12.9600 -11.2868 -11.2868 -11.2865 -11.2865 -3.3268 -3.3268 -1.4715 -1.4715 -0.4023 -0.4023 -0.4002 -0.4002 3.1257 3.1257 4.0775 4.0775 4.9455 4.9455 5.6823 5.6823 5.6872 5.6872 6.0897 6.0897 7.7190 7.7190 7.7272 7.7272 17.0455 17.0455 17.0472 17.0472 17.9017 17.9017 18.6562 18.6562 k = 0.3519 0.3022-0.0000 ( 1420 PWs) bands (ev): -15.6477 -15.6477 -13.0555 -13.0555 -11.2949 -11.2949 -11.2947 -11.2947 -3.2526 -3.2526 -1.5154 -1.5154 -0.3603 -0.3603 -0.3582 -0.3582 3.1500 3.1500 4.0901 4.0901 4.9641 4.9641 5.6476 5.6476 5.6523 5.6523 6.0203 6.0203 7.7387 7.7387 7.7463 7.7463 16.9934 16.9934 16.9950 16.9950 17.9754 17.9754 18.6355 18.6355 k = 0.3611 0.3102-0.0000 ( 1428 PWs) bands (ev): -15.5853 -15.5853 -13.1505 -13.1505 -11.3026 -11.3026 -11.3024 -11.3024 -3.1798 -3.1798 -1.5594 -1.5594 -0.3196 -0.3196 -0.3176 -0.3176 3.1760 3.1760 4.0984 4.0984 4.9834 4.9834 5.6131 5.6131 5.6177 5.6177 5.9536 5.9536 7.7586 7.7586 7.7657 7.7657 16.9429 16.9429 16.9444 16.9444 18.0451 18.0451 18.6166 18.6166 k = 0.3704 0.3181-0.0000 ( 1432 PWs) bands (ev): -15.5214 -15.5214 -13.2450 -13.2450 -11.3100 -11.3100 -11.3098 -11.3098 -3.1084 -3.1084 -1.6034 -1.6034 -0.2804 -0.2804 -0.2784 -0.2784 3.2037 3.2037 4.1024 4.1024 5.0031 5.0031 5.5793 5.5793 5.5837 5.5837 5.8898 5.8898 7.7786 7.7786 7.7851 7.7851 16.8944 16.8944 16.8958 16.8958 18.1104 18.1104 18.5995 18.5995 k = 0.3796 0.3261-0.0000 ( 1432 PWs) bands (ev): -15.4561 -15.4561 -13.3389 -13.3389 -11.3169 -11.3169 -11.3168 -11.3168 -3.0384 -3.0384 -1.6476 -1.6476 -0.2428 -0.2428 -0.2410 -0.2410 3.2332 3.2332 4.1019 4.1019 5.0234 5.0234 5.5463 5.5463 5.5506 5.5506 5.8291 5.8291 7.7983 7.7983 7.8043 7.8043 16.8480 16.8480 16.8493 16.8493 18.1711 18.1711 18.5843 18.5843 k = 0.3889 0.3341 0.0000 ( 1432 PWs) bands (ev): -15.3894 -15.3894 -13.4322 -13.4322 -11.3234 -11.3234 -11.3233 -11.3233 -2.9700 -2.9700 -1.6919 -1.6919 -0.2071 -0.2071 -0.2053 -0.2053 3.2645 3.2645 4.0968 4.0968 5.0440 5.0440 5.5146 5.5146 5.5186 5.5186 5.7716 5.7716 7.8176 7.8176 7.8230 7.8230 16.8039 16.8039 16.8052 16.8052 18.2268 18.2268 18.5709 18.5709 k = 0.3981 0.3420 0.0000 ( 1432 PWs) bands (ev): -15.3213 -15.3213 -13.5249 -13.5249 -11.3295 -11.3295 -11.3293 -11.3293 -2.9030 -2.9030 -1.7364 -1.7364 -0.1734 -0.1734 -0.1717 -0.1717 3.2974 3.2974 4.0872 4.0872 5.0650 5.0650 5.4842 5.4842 5.4881 5.4881 5.7176 5.7176 7.8362 7.8362 7.8412 7.8412 16.7625 16.7625 16.7637 16.7637 18.2772 18.2772 18.5594 18.5594 k = 0.4074 0.3500-0.0000 ( 1424 PWs) bands (ev): -15.2519 -15.2519 -13.6168 -13.6168 -11.3351 -11.3351 -11.3349 -11.3349 -2.8374 -2.8374 -1.7812 -1.7812 -0.1419 -0.1419 -0.1404 -0.1404 3.3321 3.3321 4.0730 4.0730 5.0862 5.0862 5.4555 5.4555 5.4592 5.4592 5.6670 5.6670 7.8540 7.8540 7.8584 7.8584 16.7239 16.7239 16.7250 16.7250 18.3224 18.3224 18.5496 18.5496 k = 0.4167 0.3579 0.0000 ( 1424 PWs) bands (ev): -15.1812 -15.1812 -13.7080 -13.7080 -11.3402 -11.3402 -11.3401 -11.3401 -2.7734 -2.7734 -1.8264 -1.8264 -0.1128 -0.1128 -0.1114 -0.1114 3.3684 3.3684 4.0545 4.0545 5.1077 5.1077 5.4288 5.4288 5.4322 5.4322 5.6197 5.6197 7.8707 7.8707 7.8746 7.8746 16.6883 16.6883 16.6893 16.6893 18.3619 18.3619 18.5415 18.5415 k = 0.4259 0.3659 0.0000 ( 1428 PWs) bands (ev): -15.1092 -15.1092 -13.7984 -13.7984 -11.3448 -11.3448 -11.3447 -11.3447 -2.7109 -2.7109 -1.8719 -1.8719 -0.0862 -0.0862 -0.0850 -0.0850 3.4061 3.4061 4.0318 4.0318 5.1294 5.1294 5.4042 5.4042 5.4074 5.4074 5.5758 5.5758 7.8861 7.8861 7.8896 7.8896 16.6559 16.6559 16.6568 16.6568 18.3959 18.3959 18.5349 18.5349 k = 0.4352 0.3738-0.0000 ( 1436 PWs) bands (ev): -15.0359 -15.0359 -13.8879 -13.8879 -11.3489 -11.3489 -11.3488 -11.3488 -2.6497 -2.6497 -1.9179 -1.9179 -0.0624 -0.0624 -0.0612 -0.0612 3.4453 3.4453 4.0052 4.0052 5.1514 5.1514 5.3820 5.3820 5.3849 5.3849 5.5350 5.5350 7.9001 7.9001 7.9032 7.9032 16.6268 16.6268 16.6276 16.6276 18.4247 18.4247 18.5297 18.5297 k = 0.4444 0.3818-0.0000 ( 1436 PWs) bands (ev): -14.9613 -14.9613 -13.9766 -13.9766 -11.3525 -11.3525 -11.3524 -11.3524 -2.5900 -2.5900 -1.9645 -1.9645 -0.0414 -0.0414 -0.0404 -0.0404 3.4857 3.4857 3.9750 3.9750 5.1735 5.1735 5.3624 5.3624 5.3650 5.3650 5.4971 5.4971 7.9126 7.9126 7.9152 7.9152 16.6013 16.6013 16.6020 16.6020 18.4484 18.4484 18.5258 18.5258 k = 0.4537 0.3897-0.0000 ( 1436 PWs) bands (ev): -14.8855 -14.8855 -14.0644 -14.0644 -11.3555 -11.3555 -11.3554 -11.3554 -2.5317 -2.5317 -2.0116 -2.0116 -0.0234 -0.0234 -0.0225 -0.0225 3.5272 3.5272 3.9417 3.9417 5.1959 5.1959 5.3455 5.3455 5.3479 5.3479 5.4619 5.4619 7.9235 7.9235 7.9256 7.9256 16.5795 16.5795 16.5801 16.5801 18.4676 18.4676 18.5229 18.5229 k = 0.4630 0.3977-0.0000 ( 1440 PWs) bands (ev): -14.8085 -14.8085 -14.1513 -14.1513 -11.3580 -11.3580 -11.3579 -11.3579 -2.4747 -2.4747 -2.0594 -2.0594 -0.0084 -0.0084 -0.0077 -0.0077 3.5696 3.5696 3.9056 3.9056 5.2186 5.2186 5.3314 5.3314 5.3337 5.3337 5.4291 5.4291 7.9325 7.9325 7.9342 7.9342 16.5615 16.5615 16.5620 16.5620 18.4825 18.4825 18.5207 18.5207 k = 0.4722 0.4056-0.0000 ( 1440 PWs) bands (ev): -14.7302 -14.7302 -14.2371 -14.2371 -11.3599 -11.3599 -11.3599 -11.3599 -2.4189 -2.4189 -2.1080 -2.1080 0.0033 0.0033 0.0038 0.0038 3.6126 3.6126 3.8673 3.8673 5.2416 5.2416 5.3204 5.3204 5.3225 5.3225 5.3985 5.3985 7.9397 7.9397 7.9410 7.9410 16.5474 16.5474 16.5478 16.5478 18.4940 18.4940 18.5190 18.5190 k = 0.4815 0.4136-0.0000 ( 1440 PWs) bands (ev): -14.6508 -14.6508 -14.3220 -14.3220 -11.3613 -11.3613 -11.3613 -11.3613 -2.3644 -2.3644 -2.1573 -2.1573 0.0118 0.0118 0.0121 0.0121 3.6560 3.6560 3.8271 3.8271 5.2649 5.2649 5.3123 5.3123 5.3147 5.3147 5.3697 5.3697 7.9450 7.9450 7.9458 7.9458 16.5373 16.5373 16.5375 16.5375 18.5024 18.5024 18.5173 18.5173 k = 0.4907 0.4215-0.0000 ( 1448 PWs) bands (ev): -14.5703 -14.5703 -14.4058 -14.4058 -11.3622 -11.3622 -11.3622 -11.3622 -2.3111 -2.3111 -2.2076 -2.2076 0.0169 0.0169 0.0171 0.0171 3.6995 3.6995 3.7854 3.7854 5.2880 5.2880 5.3071 5.3071 5.3109 5.3109 5.3428 5.3428 7.9482 7.9482 7.9486 7.9486 16.5312 16.5312 16.5313 16.5313 18.5083 18.5083 18.5152 18.5152 k = 0.5000 0.4295-0.0000 ( 1452 PWs) bands (ev): -14.4886 -14.4886 -14.4886 -14.4886 -11.3625 -11.3625 -11.3625 -11.3625 -2.2588 -2.2588 -2.2588 -2.2588 0.0187 0.0187 0.0187 0.0187 3.7428 3.7428 3.7428 3.7428 5.3033 5.3033 5.3033 5.3033 5.3190 5.3190 5.3190 5.3190 7.9494 7.9494 7.9494 7.9494 16.5292 16.5292 16.5292 16.5292 18.5124 18.5124 18.5124 18.5124 k = 0.5000 0.4295-0.0000 ( 1452 PWs) bands (ev): -14.4886 -14.4886 -14.4886 -14.4886 -11.3625 -11.3625 -11.3625 -11.3625 -2.2588 -2.2588 -2.2588 -2.2588 0.0187 0.0187 0.0187 0.0187 3.7428 3.7428 3.7428 3.7428 5.3033 5.3033 5.3033 5.3033 5.3190 5.3190 5.3190 5.3190 7.9494 7.9494 7.9494 7.9494 16.5292 16.5292 16.5292 16.5292 18.5124 18.5124 18.5124 18.5124 k = 0.4944 0.4361 0.0086 ( 1450 PWs) bands (ev): -14.4889 -14.4889 -14.4878 -14.4878 -11.3635 -11.3634 -11.3621 -11.3621 -2.2599 -2.2598 -2.2570 -2.2570 0.0177 0.0178 0.0186 0.0188 3.7388 3.7391 3.7437 3.7440 5.2269 5.2325 5.3077 5.3085 5.3163 5.3164 5.3908 5.3963 7.9483 7.9484 7.9504 7.9507 16.5278 16.5279 16.5306 16.5307 18.5137 18.5138 18.5151 18.5152 k = 0.4887 0.4426 0.0173 ( 1450 PWs) bands (ev): -14.4899 -14.4899 -14.4854 -14.4854 -11.3664 -11.3664 -11.3611 -11.3610 -2.2632 -2.2630 -2.2515 -2.2515 0.0150 0.0150 0.0184 0.0189 3.7273 3.7279 3.7467 3.7472 5.1471 5.1529 5.3122 5.3131 5.3180 5.3185 5.4733 5.4788 7.9451 7.9453 7.9535 7.9543 16.5238 16.5239 16.5347 16.5349 18.5177 18.5178 18.5230 18.5233 k = 0.4831 0.4492 0.0259 ( 1446 PWs) bands (ev): -14.4915 -14.4915 -14.4813 -14.4813 -11.3714 -11.3713 -11.3593 -11.3592 -2.2685 -2.2682 -2.2424 -2.2423 0.0105 0.0105 0.0183 0.0191 3.7087 3.7097 3.7518 3.7526 5.0682 5.0740 5.3138 5.3153 5.3265 5.3271 5.5568 5.5623 7.9398 7.9401 7.9589 7.9600 16.5172 16.5173 16.5417 16.5419 18.5244 18.5245 18.5363 18.5367 k = 0.4775 0.4557 0.0346 ( 1450 PWs) bands (ev): -14.4938 -14.4937 -14.4757 -14.4756 -11.3782 -11.3782 -11.3568 -11.3568 -2.2760 -2.2756 -2.2297 -2.2296 0.0041 0.0042 0.0182 0.0192 3.6836 3.6848 3.7589 3.7600 4.9901 4.9959 5.3141 5.3161 5.3400 5.3408 5.6413 5.6467 7.9324 7.9327 7.9664 7.9679 16.5082 16.5083 16.5514 16.5516 18.5337 18.5339 18.5545 18.5551 k = 0.4718 0.4623 0.0432 ( 1450 PWs) bands (ev): -14.4967 -14.4967 -14.4684 -14.4684 -11.3869 -11.3868 -11.3537 -11.3536 -2.2856 -2.2851 -2.2136 -2.2135 -0.0040 -0.0039 0.0181 0.0194 3.6527 3.6542 3.7681 3.7694 4.9128 4.9187 5.3142 5.3167 5.3566 5.3576 5.7265 5.7318 7.9229 7.9233 7.9760 7.9778 16.4971 16.4972 16.5638 16.5641 18.5455 18.5457 18.5774 18.5781 k = 0.4662 0.4689 0.0519 ( 1446 PWs) bands (ev): -14.5004 -14.5003 -14.4595 -14.4595 -11.3973 -11.3972 -11.3498 -11.3497 -2.2973 -2.2967 -2.1942 -2.1941 -0.0139 -0.0138 0.0182 0.0197 3.6169 3.6185 3.7793 3.7808 4.8364 4.8423 5.3144 5.3174 5.3756 5.3767 5.8123 5.8175 7.9114 7.9119 7.9875 7.9896 16.4841 16.4843 16.5790 16.5793 18.5599 18.5602 18.6048 18.6057 k = 0.4606 0.4754 0.0605 ( 1440 PWs) bands (ev): -14.5048 -14.5047 -14.4490 -14.4490 -11.4093 -11.4092 -11.3453 -11.3451 -2.3112 -2.3105 -2.1716 -2.1715 -0.0255 -0.0254 0.0185 0.0202 3.5769 3.5787 3.7924 3.7941 4.7608 4.7667 5.3149 5.3183 5.3963 5.3975 5.8986 5.9038 7.8979 7.8985 8.0008 8.0032 16.4695 16.4698 16.5968 16.5972 18.5768 18.5771 18.6361 18.6372 k = 0.4549 0.4820 0.0692 ( 1440 PWs) bands (ev): -14.5100 -14.5100 -14.4369 -14.4369 -11.4228 -11.4227 -11.3400 -11.3399 -2.3272 -2.3264 -2.1461 -2.1459 -0.0389 -0.0387 0.0189 0.0210 3.5337 3.5357 3.8073 3.8093 4.6860 4.6918 5.3158 5.3196 5.4181 5.4193 5.9853 5.9904 7.8824 7.8831 8.0157 8.0185 16.4537 16.4540 16.6172 16.6176 18.5959 18.5962 18.6711 18.6724 k = 0.4493 0.4885 0.0778 ( 1444 PWs) bands (ev): -14.5161 -14.5160 -14.4233 -14.4232 -11.4377 -11.4375 -11.3341 -11.3340 -2.3454 -2.3445 -2.1178 -2.1176 -0.0539 -0.0537 0.0197 0.0220 3.4881 3.4902 3.8241 3.8263 4.6119 4.6177 5.3171 5.3214 5.4402 5.4415 6.0721 6.0771 7.8649 7.8657 8.0321 8.0352 16.4370 16.4373 16.6401 16.6406 18.6172 18.6176 18.7092 18.7107 k = 0.4437 0.4951 0.0865 ( 1436 PWs) bands (ev): -14.5230 -14.5229 -14.4080 -14.4079 -11.4537 -11.4536 -11.3275 -11.3274 -2.3657 -2.3648 -2.0871 -2.0868 -0.0705 -0.0703 0.0209 0.0233 3.4409 3.4431 3.8426 3.8450 4.5386 4.5444 5.3191 5.3237 5.4623 5.4637 6.1590 6.1640 7.8456 7.8465 8.0499 8.0532 16.4198 16.4201 16.6656 16.6662 18.6407 18.6412 18.7500 18.7517 k = 0.4380 0.5017 0.0951 ( 1432 PWs) bands (ev): -14.5309 -14.5308 -14.3911 -14.3911 -11.4708 -11.4706 -11.3203 -11.3201 -2.3882 -2.3872 -2.0540 -2.0538 -0.0888 -0.0885 0.0225 0.0251 3.3929 3.3951 3.8629 3.8653 4.4660 4.4718 5.3217 5.3266 5.4838 5.4853 6.2456 6.2506 7.8244 7.8254 8.0687 8.0723 16.4022 16.4026 16.6935 16.6942 18.6659 18.6665 18.7931 18.7950 k = 0.4324 0.5082 0.1038 ( 1424 PWs) bands (ev): -14.5398 -14.5397 -14.3727 -14.3726 -11.4887 -11.4885 -11.3124 -11.3122 -2.4128 -2.4118 -2.0191 -2.0188 -0.1085 -0.1082 0.0246 0.0274 3.3447 3.3470 3.8847 3.8873 4.3942 4.4000 5.3251 5.3304 5.5044 5.5059 6.3320 6.3369 7.8015 7.8026 8.0885 8.0923 16.3847 16.3851 16.7238 16.7245 18.6930 18.6936 18.8380 18.8401 k = 0.4268 0.5148 0.1124 ( 1422 PWs) bands (ev): -14.5498 -14.5497 -14.3527 -14.3526 -11.5073 -11.5071 -11.3038 -11.3036 -2.4396 -2.4385 -1.9824 -1.9822 -0.1298 -0.1294 0.0272 0.0303 3.2970 3.2994 3.9079 3.9107 4.3233 4.3290 5.3294 5.3350 5.5237 5.5252 6.4177 6.4226 7.7769 7.7780 8.1089 8.1129 16.3675 16.3679 16.7564 16.7571 18.7216 18.7223 18.8842 18.8865 k = 0.4211 0.5213 0.1211 ( 1418 PWs) bands (ev): -14.5609 -14.5607 -14.3312 -14.3311 -11.5264 -11.5261 -11.2947 -11.2944 -2.4684 -2.4673 -1.9445 -1.9442 -0.1525 -0.1521 0.0305 0.0337 3.2505 3.2529 3.9327 3.9355 4.2531 4.2588 5.3348 5.3406 5.5414 5.5430 6.5027 6.5075 7.7505 7.7518 8.1298 8.1340 16.3509 16.3513 16.7912 16.7920 18.7515 18.7524 18.9312 18.9338 k = 0.4155 0.5279 0.1297 ( 1418 PWs) bands (ev): -14.5732 -14.5730 -14.3081 -14.3080 -11.5457 -11.5455 -11.2849 -11.2846 -2.4994 -2.4983 -1.9056 -1.9053 -0.1766 -0.1761 0.0345 0.0379 3.2057 3.2081 3.9587 3.9616 4.1838 4.1894 5.3413 5.3473 5.5573 5.5589 6.5867 6.5915 7.7226 7.7240 8.1510 8.1553 16.3351 16.3355 16.8281 16.8289 18.7826 18.7836 18.9785 18.9813 k = 0.4098 0.5344 0.1384 ( 1418 PWs) bands (ev): -14.5867 -14.5866 -14.2835 -14.2834 -11.5651 -11.5649 -11.2745 -11.2742 -2.5324 -2.5313 -1.8660 -1.8657 -0.2020 -0.2015 0.0392 0.0427 3.1631 3.1655 3.9859 3.9889 4.1153 4.1210 5.3491 5.3553 5.5712 5.5728 6.6694 6.6743 7.6932 7.6946 8.1722 8.1767 16.3203 16.3208 16.8670 16.8679 18.8145 18.8157 19.0256 19.0287 k = 0.4042 0.5410 0.1470 ( 1418 PWs) bands (ev): -14.6016 -14.6014 -14.2574 -14.2572 -11.5844 -11.5841 -11.2635 -11.2632 -2.5675 -2.5663 -1.8262 -1.8259 -0.2287 -0.2282 0.0446 0.0483 3.1232 3.1256 4.0141 4.0174 4.0479 4.0538 5.3582 5.3645 5.5829 5.5846 6.7508 6.7557 7.6622 7.6638 8.1932 8.1978 16.3067 16.3072 16.9078 16.9088 18.8470 18.8483 19.0721 19.0755 k = 0.3986 0.5476 0.1556 ( 1418 PWs) bands (ev): -14.6179 -14.6177 -14.2298 -14.2296 -11.6034 -11.6031 -11.2519 -11.2517 -2.6045 -2.6033 -1.7866 -1.7863 -0.2566 -0.2560 0.0509 0.0547 3.0866 3.0889 3.9815 3.9867 4.0442 4.0469 5.3688 5.3752 5.5923 5.5940 6.8306 6.8356 7.6300 7.6316 8.2138 8.2186 16.2945 16.2950 16.9506 16.9515 18.8797 18.8812 19.1175 19.1212 k = 0.3929 0.5541 0.1643 ( 1414 PWs) bands (ev): -14.6356 -14.6354 -14.2006 -14.2005 -11.6219 -11.6216 -11.2398 -11.2395 -2.6435 -2.6423 -1.7474 -1.7471 -0.2857 -0.2850 0.0580 0.0620 3.0535 3.0558 3.9162 3.9215 4.0745 4.0773 5.3809 5.3874 5.5993 5.6010 6.9087 6.9136 7.5964 7.5981 8.2339 8.2387 16.2839 16.2844 16.9950 16.9960 18.9124 18.9141 19.1613 19.1652 k = 0.3873 0.5607 0.1729 ( 1410 PWs) bands (ev): -14.6547 -14.6545 -14.1700 -14.1699 -11.6398 -11.6394 -11.2271 -11.2268 -2.6843 -2.6831 -1.7091 -1.7088 -0.3158 -0.3151 0.0660 0.0700 3.0245 3.0267 3.8521 3.8574 4.1058 4.1086 5.3946 5.4011 5.6038 5.6055 6.9847 6.9896 7.5615 7.5634 8.2531 8.2580 16.2749 16.2754 17.0411 17.0422 18.9445 18.9465 19.2030 19.2072 k = 0.3817 0.5672 0.1816 ( 1410 PWs) bands (ev): -14.6755 -14.6753 -14.1380 -14.1378 -11.6568 -11.6564 -11.2139 -11.2136 -2.7269 -2.7258 -1.6721 -1.6718 -0.3469 -0.3461 0.0748 0.0789 2.9998 3.0020 3.7894 3.7947 4.1379 4.1406 5.4100 5.4165 5.6057 5.6075 7.0585 7.0635 7.5256 7.5275 8.2713 8.2763 16.2677 16.2682 17.0887 17.0898 18.9757 18.9779 19.2422 19.2467 k = 0.3760 0.5738 0.1902 ( 1410 PWs) bands (ev): -14.6978 -14.6976 -14.1045 -14.1043 -11.6728 -11.6724 -11.2002 -11.1999 -2.7713 -2.7701 -1.6366 -1.6364 -0.3789 -0.3781 0.0844 0.0887 2.9797 2.9818 3.7281 3.7333 4.1707 4.1733 5.4271 5.4337 5.6050 5.6068 7.1299 7.1349 7.4885 7.4906 8.2883 8.2934 16.2624 16.2629 17.1378 17.1389 19.0055 19.0079 19.2785 19.2832 k = 0.3704 0.5804 0.1989 ( 1414 PWs) bands (ev): -14.7217 -14.7215 -14.0696 -14.0694 -11.6877 -11.6873 -11.1860 -11.1856 -2.8173 -2.8162 -1.6032 -1.6030 -0.4119 -0.4110 0.0949 0.0992 2.9646 2.9665 3.6685 3.6736 4.2041 4.2066 5.4461 5.4526 5.6016 5.6035 7.1987 7.2038 7.4504 7.4526 8.3039 8.3090 16.2590 16.2595 17.1881 17.1893 19.0332 19.0359 19.3115 19.3164 k = 0.3648 0.5869 0.2075 ( 1418 PWs) bands (ev): -14.7472 -14.7470 -14.0333 -14.0331 -11.7013 -11.7009 -11.1713 -11.1709 -2.8649 -2.8638 -1.5720 -1.5718 -0.4456 -0.4447 0.1062 0.1106 2.9544 2.9563 3.6107 3.6157 4.2380 4.2403 5.4669 5.4733 5.5956 5.5976 7.2647 7.2698 7.4115 7.4138 8.3180 8.3231 16.2576 16.2581 17.2397 17.2408 19.0583 19.0612 19.3409 19.3460 k = 0.3591 0.5935 0.2162 ( 1414 PWs) bands (ev): -14.7743 -14.7741 -13.9956 -13.9953 -11.7135 -11.7131 -11.1561 -11.1558 -2.9140 -2.9130 -1.5433 -1.5431 -0.4800 -0.4790 0.1183 0.1227 2.9493 2.9510 3.5551 3.5599 4.2724 4.2745 5.4896 5.4960 5.5870 5.5890 7.3274 7.3326 7.3720 7.3745 8.3304 8.3356 16.2582 16.2588 17.2924 17.2936 19.0802 19.0833 19.3665 19.3717 k = 0.3535 0.6000 0.2248 ( 1422 PWs) bands (ev): -14.8032 -14.8029 -13.9565 -13.9563 -11.7243 -11.7239 -11.1406 -11.1401 -2.9645 -2.9635 -1.5174 -1.5172 -0.5150 -0.5140 0.1311 0.1356 2.9491 2.9506 3.5020 3.5067 4.3071 4.3091 5.5143 5.5204 5.5757 5.5778 7.3304 7.3329 7.3883 7.3937 8.3409 8.3461 16.2609 16.2614 17.3461 17.3473 19.0982 19.1014 19.3879 19.3932 k = 0.3479 0.6066 0.2335 ( 1422 PWs) bands (ev): -14.8335 -14.8333 -13.9161 -13.9159 -11.7335 -11.7331 -11.1245 -11.1241 -3.0163 -3.0154 -1.4944 -1.4943 -0.5507 -0.5496 0.1446 0.1491 2.9534 2.9546 3.4522 3.4566 4.3422 4.3439 5.5409 5.5468 5.5618 5.5640 7.2893 7.2919 7.4449 7.4503 8.3495 8.3547 16.2657 16.2662 17.4007 17.4019 19.1120 19.1152 19.4051 19.4104 k = 0.3422 0.6132 0.2421 ( 1420 PWs) bands (ev): -14.8655 -14.8653 -13.8744 -13.8742 -11.7411 -11.7406 -11.1081 -11.1077 -3.0694 -3.0685 -1.4746 -1.4746 -0.5868 -0.5857 0.1587 0.1633 2.9615 2.9623 3.4065 3.4106 4.3775 4.3790 5.5454 5.5475 5.5694 5.5753 7.2474 7.2501 7.4982 7.5037 8.3561 8.3613 16.2726 16.2731 17.4561 17.4573 19.1211 19.1242 19.4180 19.4233 k = 0.3422 0.6132 0.2421 ( 1420 PWs) bands (ev): -14.8655 -14.8653 -13.8744 -13.8742 -11.7411 -11.7406 -11.1081 -11.1077 -3.0694 -3.0685 -1.4746 -1.4746 -0.5868 -0.5857 0.1587 0.1633 2.9615 2.9623 3.4065 3.4106 4.3775 4.3790 5.5454 5.5475 5.5694 5.5753 7.2474 7.2501 7.4982 7.5037 8.3561 8.3613 16.2726 16.2731 17.4561 17.4573 19.1211 19.1242 19.4180 19.4233 k = 0.3315 0.6098 0.2465 ( 1415 PWs) bands (ev): -14.8845 -14.8842 -13.8506 -13.8503 -11.7436 -11.7431 -11.0995 -11.0990 -3.0994 -3.0985 -1.4646 -1.4645 -0.6055 -0.6044 0.1656 0.1702 2.9678 2.9683 3.3862 3.3901 4.3945 4.3958 5.5341 5.5361 5.5854 5.5910 7.2260 7.2290 7.5252 7.5309 8.3580 8.3632 16.2784 16.2789 17.4851 17.4863 19.1185 19.1213 19.4280 19.4333 k = 0.3208 0.6065 0.2510 ( 1413 PWs) bands (ev): -14.9073 -14.9071 -13.8230 -13.8228 -11.7440 -11.7435 -11.0906 -11.0902 -3.1343 -3.1335 -1.4531 -1.4529 -0.6243 -0.6231 0.1716 0.1762 2.9766 2.9769 3.3697 3.3733 4.4092 4.4105 5.5191 5.5211 5.6017 5.6071 7.2058 7.2094 7.5532 7.5591 8.3581 8.3632 16.2874 16.2878 17.5148 17.5160 19.1046 19.1069 19.4464 19.4512 k = 0.3101 0.6031 0.2554 ( 1413 PWs) bands (ev): -14.9330 -14.9328 -13.7929 -13.7927 -11.7422 -11.7418 -11.0816 -11.0811 -3.1739 -3.1731 -1.4407 -1.4404 -0.6428 -0.6415 0.1767 0.1813 2.9875 2.9875 3.3571 3.3603 4.4217 4.4229 5.5008 5.5028 5.6183 5.6235 7.1873 7.1916 7.5815 7.5877 8.3562 8.3613 16.2996 16.3000 17.5453 17.5465 19.0821 19.0837 19.4697 19.4741 k = 0.2995 0.5997 0.2598 ( 1415 PWs) bands (ev): -14.9609 -14.9606 -13.7612 -13.7609 -11.7383 -11.7378 -11.0723 -11.0719 -3.2176 -3.2169 -1.4276 -1.4272 -0.6606 -0.6592 0.1809 0.1855 2.9996 3.0001 3.3485 3.3515 4.4320 4.4331 5.4791 5.4811 5.6351 5.6401 7.1708 7.1759 7.6100 7.6163 8.3525 8.3576 16.3149 16.3153 17.5765 17.5777 19.0535 19.0545 19.4936 19.4980 k = 0.2888 0.5964 0.2642 ( 1413 PWs) bands (ev): -14.9901 -14.9899 -13.7286 -13.7283 -11.7320 -11.7315 -11.0630 -11.0625 -3.2652 -3.2645 -1.4144 -1.4139 -0.6774 -0.6758 0.1845 0.1891 3.0129 3.0138 3.3442 3.3468 4.4401 4.4411 5.4540 5.4562 5.6523 5.6572 7.1567 7.1624 7.6383 7.6449 8.3470 8.3519 16.3333 16.3337 17.6084 17.6096 19.0209 19.0214 19.5127 19.5182 k = 0.2781 0.5930 0.2687 ( 1409 PWs) bands (ev): -15.0203 -15.0201 -13.6959 -13.6956 -11.7234 -11.7229 -11.0535 -11.0530 -3.3161 -3.3154 -1.4017 -1.4010 -0.6926 -0.6908 0.1873 0.1918 3.0269 3.0283 3.3442 3.3465 4.4460 4.4471 5.4258 5.4281 5.6700 5.6748 7.1448 7.1512 7.6662 7.6731 8.3395 8.3444 16.3547 16.3550 17.6411 17.6423 18.9856 18.9858 19.5221 19.5291 k = 0.2674 0.5897 0.2731 ( 1407 PWs) bands (ev): -15.0509 -15.0507 -13.6636 -13.6633 -11.7124 -11.7119 -11.0439 -11.0434 -3.3699 -3.3693 -1.3899 -1.3891 -0.7057 -0.7038 0.1893 0.1939 3.0412 3.0432 3.3484 3.3505 4.4498 4.4509 5.3944 5.3969 5.6885 5.6932 7.1350 7.1420 7.6936 7.7007 8.3302 8.3350 16.3788 16.3791 17.6745 17.6757 18.9483 18.9488 19.5213 19.5292 k = 0.2567 0.5863 0.2775 ( 1403 PWs) bands (ev): -15.0816 -15.0814 -13.6321 -13.6319 -11.6992 -11.6986 -11.0343 -11.0338 -3.4262 -3.4256 -1.3797 -1.3788 -0.7163 -0.7141 0.1907 0.1953 3.0557 3.0582 3.3566 3.3586 4.4515 4.4528 5.3602 5.3629 5.7079 5.7125 7.1272 7.1349 7.7203 7.7277 8.3191 8.3238 16.4057 16.4060 17.7086 17.7098 18.9099 18.9107 19.5133 19.5213 k = 0.2460 0.5830 0.2819 ( 1401 PWs) bands (ev): -15.1121 -15.1119 -13.6018 -13.6016 -11.6836 -11.6830 -11.0247 -11.0242 -3.4844 -3.4838 -1.3716 -1.3706 -0.7237 -0.7213 0.1914 0.1959 3.0703 3.0733 3.3684 3.3707 4.4513 4.4527 5.3234 5.3262 5.7284 5.7329 7.1212 7.1294 7.7462 7.7538 8.3062 8.3108 16.4351 16.4353 17.7435 17.7446 18.8709 18.8720 19.5004 19.5083 k = 0.2353 0.5796 0.2864 ( 1401 PWs) bands (ev): -15.1422 -15.1420 -13.5730 -13.5729 -11.6658 -11.6653 -11.0152 -11.0147 -3.5441 -3.5436 -1.3661 -1.3651 -0.7275 -0.7249 0.1915 0.1959 3.0849 3.0885 3.3835 3.3861 4.4492 4.4508 5.2844 5.2874 5.7502 5.7546 7.1166 7.1254 7.7711 7.7790 8.2917 8.2962 16.4669 16.4670 17.7790 17.7802 18.8317 18.8331 19.4842 19.4920 k = 0.2246 0.5763 0.2908 ( 1400 PWs) bands (ev): -15.1716 -15.1714 -13.5459 -13.5458 -11.6460 -11.6454 -11.0057 -11.0052 -3.6049 -3.6044 -1.3636 -1.3625 -0.7274 -0.7247 0.1908 0.1952 3.0998 3.1038 3.4013 3.4043 4.4453 4.4470 5.2434 5.2465 5.7735 5.7778 7.1132 7.1225 7.7949 7.8031 8.2756 8.2800 16.5008 16.5010 17.8154 17.8166 18.7924 18.7940 19.4656 19.4731 k = 0.2139 0.5729 0.2952 ( 1402 PWs) bands (ev): -15.2002 -15.2000 -13.5206 -13.5205 -11.6243 -11.6237 -10.9963 -10.9958 -3.6663 -3.6659 -1.3642 -1.3631 -0.7233 -0.7205 0.1894 0.1938 3.1152 3.1196 3.4213 3.4247 4.4397 4.4416 5.2010 5.2042 5.7983 5.8027 7.1105 7.1203 7.8175 7.8261 8.2581 8.2625 16.5368 16.5369 17.8524 17.8536 18.7533 18.7552 19.4450 19.4523 k = 0.2032 0.5695 0.2996 ( 1404 PWs) bands (ev): -15.2279 -15.2277 -13.4972 -13.4971 -11.6008 -11.6002 -10.9871 -10.9866 -3.7279 -3.7275 -1.3680 -1.3668 -0.7153 -0.7123 0.1873 0.1917 3.1312 3.1359 3.4428 3.4466 4.4324 4.4345 5.1574 5.1606 5.8250 5.8293 7.1081 7.1184 7.8388 7.8478 8.2394 8.2438 16.5746 16.5747 17.8901 17.8913 18.7146 18.7167 19.4227 19.4297 k = 0.1925 0.5662 0.3040 ( 1404 PWs) bands (ev): -15.2546 -15.2544 -13.4757 -13.4755 -11.5759 -11.5753 -10.9781 -10.9775 -3.7893 -3.7890 -1.3746 -1.3734 -0.7034 -0.7004 0.1845 0.1888 3.1480 3.1529 3.4653 3.4695 4.4237 4.4258 5.1130 5.1163 5.8536 5.8579 7.1058 7.1165 7.8586 7.8681 8.2197 8.2241 16.6139 16.6141 17.9285 17.9297 18.6764 18.6786 19.3990 19.4058 k = 0.1818 0.5628 0.3085 ( 1402 PWs) bands (ev): -15.2801 -15.2800 -13.4561 -13.4559 -11.5498 -11.5492 -10.9692 -10.9687 -3.8501 -3.8498 -1.3838 -1.3826 -0.6881 -0.6851 0.1809 0.1851 3.1657 3.1709 3.4882 3.4928 4.4135 4.4158 5.0683 5.0716 5.8842 5.8886 7.1030 7.1142 7.8769 7.8869 8.1993 8.2039 16.6545 16.6548 17.9675 17.9688 18.6389 18.6412 19.3740 19.3805 k = 0.1711 0.5595 0.3129 ( 1400 PWs) bands (ev): -15.3045 -15.3043 -13.4383 -13.4382 -11.5227 -11.5221 -10.9607 -10.9601 -3.9099 -3.9096 -1.3951 -1.3940 -0.6698 -0.6668 0.1766 0.1807 3.1845 3.1898 3.5109 3.5159 4.4021 4.4045 5.0237 5.0269 5.9168 5.9213 7.0994 7.1109 7.8934 7.9041 8.1785 8.1834 16.6962 16.6965 18.0071 18.0084 18.6021 18.6045 19.3478 19.3540 k = 0.1604 0.5561 0.3173 ( 1397 PWs) bands (ev): -15.3276 -15.3275 -13.4223 -13.4222 -11.4950 -11.4944 -10.9524 -10.9518 -3.9683 -3.9680 -1.4080 -1.4070 -0.6491 -0.6460 0.1715 0.1755 3.2044 3.2099 3.5331 3.5384 4.3895 4.3921 4.9794 4.9826 5.9516 5.9561 7.0945 7.1064 7.9080 7.9196 8.1578 8.1632 16.7387 16.7391 18.0471 18.0484 18.5661 18.5687 19.3205 19.3264 k = 0.1497 0.5528 0.3217 ( 1395 PWs) bands (ev): -15.3494 -15.3493 -13.4081 -13.4080 -11.4671 -11.4665 -10.9444 -10.9438 -4.0249 -4.0246 -1.4222 -1.4212 -0.6263 -0.6233 0.1656 0.1695 3.2253 3.2310 3.5542 3.5599 4.3760 4.3787 4.9359 4.9390 5.9885 5.9931 7.0879 7.1002 7.9204 7.9329 8.1377 8.1437 16.7816 16.7821 18.0875 18.0889 18.5311 18.5338 19.2922 19.2977 k = 0.1390 0.5494 0.3262 ( 1397 PWs) bands (ev): -15.3698 -15.3697 -13.3954 -13.3953 -11.4392 -11.4386 -10.9368 -10.9363 -4.0794 -4.0792 -1.4370 -1.4362 -0.6022 -0.5992 0.1590 0.1628 3.2474 3.2532 3.5739 3.5800 4.3618 4.3646 4.8937 4.8966 6.0274 6.0322 7.0793 7.0918 7.9302 7.9438 8.1189 8.1257 16.8246 16.8252 18.1281 18.1296 18.4973 18.5001 19.2629 19.2680 k = 0.1283 0.5461 0.3306 ( 1399 PWs) bands (ev): -15.3889 -15.3888 -13.3843 -13.3842 -11.4117 -11.4111 -10.9296 -10.9290 -4.1314 -4.1312 -1.4522 -1.4514 -0.5770 -0.5741 0.1516 0.1553 3.2705 3.2764 3.5918 3.5983 4.3469 4.3498 4.8529 4.8557 6.0683 6.0732 7.0684 7.0810 7.9371 7.9517 8.1022 8.1100 16.8674 16.8681 18.1687 18.1704 18.4647 18.4676 19.2326 19.2375 k = 0.1176 0.5427 0.3350 ( 1399 PWs) bands (ev): -15.4065 -15.4064 -13.3745 -13.3744 -11.3849 -11.3843 -10.9228 -10.9223 -4.1807 -4.1805 -1.4673 -1.4666 -0.5513 -0.5485 0.1436 0.1472 3.2946 3.3005 3.6076 3.6144 4.3318 4.3348 4.8140 4.8166 6.1110 6.1161 7.0547 7.0675 7.9406 7.9560 8.0886 8.0973 16.9096 16.9103 18.2090 18.2111 18.4338 18.4368 19.2016 19.2061 k = 0.1069 0.5393 0.3394 ( 1402 PWs) bands (ev): -15.4227 -15.4226 -13.3660 -13.3659 -11.3591 -11.3586 -10.9165 -10.9160 -4.2269 -4.2267 -1.4820 -1.4814 -0.5256 -0.5228 0.1351 0.1385 3.3196 3.3256 3.6209 3.6280 4.3166 4.3197 4.7772 4.7796 6.1555 6.1608 7.0382 7.0509 7.9406 7.9563 8.0790 8.0880 16.9507 16.9515 18.2483 18.2510 18.4050 18.4082 19.1698 19.1740 k = 0.0963 0.5360 0.3439 ( 1402 PWs) bands (ev): -15.4374 -15.4373 -13.3586 -13.3585 -11.3347 -11.3342 -10.9106 -10.9101 -4.2696 -4.2695 -1.4961 -1.4955 -0.5001 -0.4974 0.1260 0.1293 3.3452 3.3513 3.6314 3.6387 4.3018 4.3050 4.7429 4.7451 6.2014 6.2069 7.0185 7.0311 7.9374 7.9525 8.0736 8.0822 16.9903 16.9912 18.2845 18.2885 18.3801 18.3839 19.1375 19.1414 k = 0.0856 0.5326 0.3483 ( 1401 PWs) bands (ev): -15.4506 -15.4505 -13.3523 -13.3523 -11.3120 -11.3115 -10.9053 -10.9048 -4.3087 -4.3086 -1.5092 -1.5088 -0.4753 -0.4728 0.1167 0.1198 3.3715 3.3776 3.6387 3.6463 4.2876 4.2908 4.7114 4.7133 6.2484 6.2542 6.9956 7.0080 7.9319 7.9457 8.0716 8.0793 17.0280 17.0288 18.3088 18.3149 18.3678 18.3730 19.1049 19.1085 k = 0.0749 0.5293 0.3527 ( 1399 PWs) bands (ev): -15.4623 -15.4622 -13.3470 -13.3470 -11.2913 -11.2908 -10.9005 -10.9001 -4.3438 -4.3437 -1.5213 -1.5209 -0.4517 -0.4494 0.1073 0.1101 3.3981 3.4044 3.6427 3.6506 4.2744 4.2775 4.6829 4.6845 6.2963 6.3023 6.9696 6.9817 7.9250 7.9371 8.0721 8.0786 17.0631 17.0640 18.3055 18.3102 18.3877 18.3909 19.0723 19.0754 k = 0.0642 0.5259 0.3571 ( 1399 PWs) bands (ev): -15.4724 -15.4724 -13.3426 -13.3425 -11.2727 -11.2723 -10.8963 -10.8959 -4.3748 -4.3747 -1.5320 -1.5317 -0.4298 -0.4276 0.0980 0.1006 3.4249 3.4313 3.6432 3.6512 4.2625 4.2655 4.6576 4.6590 6.3446 6.3507 6.9408 6.9524 7.9177 7.9281 8.0739 8.0792 17.0953 17.0961 18.2889 18.2922 18.4218 18.4233 19.0400 19.0428 k = 0.0535 0.5226 0.3616 ( 1399 PWs) bands (ev): -15.4810 -15.4810 -13.3390 -13.3389 -11.2566 -11.2563 -10.8926 -10.8923 -4.4013 -4.4013 -1.5414 -1.5411 -0.4098 -0.4079 0.0892 0.0914 3.4516 3.4582 3.6401 3.6481 4.2522 4.2549 4.6357 4.6369 6.3926 6.3989 6.9094 6.9205 7.9108 7.9194 8.0762 8.0805 17.1237 17.1245 18.2712 18.2738 18.4570 18.4577 19.0086 19.0110 k = 0.0428 0.5192 0.3660 ( 1397 PWs) bands (ev): -15.4881 -15.4881 -13.3361 -13.3360 -11.2432 -11.2429 -10.8896 -10.8893 -4.4233 -4.4233 -1.5491 -1.5489 -0.3925 -0.3909 0.0812 0.0831 3.4780 3.4847 3.6333 3.6413 4.2437 4.2461 4.6176 4.6185 6.4395 6.4459 6.8765 6.8867 7.9049 7.9117 8.0786 8.0819 17.1481 17.1488 18.2554 18.2574 18.4903 18.4906 18.9790 18.9811 k = 0.0321 0.5159 0.3704 ( 1395 PWs) bands (ev): -15.4936 -15.4935 -13.3339 -13.3339 -11.2325 -11.2323 -10.8872 -10.8870 -4.4406 -4.4406 -1.5553 -1.5551 -0.3782 -0.3769 0.0744 0.0759 3.5037 3.5106 3.6229 3.6309 4.2372 4.2391 4.6033 4.6039 6.4840 6.4902 6.8433 6.8524 7.9002 7.9053 8.0808 8.0832 17.1677 17.1683 18.2424 18.2439 18.5199 18.5200 18.9525 18.9542 k = 0.0214 0.5125 0.3748 ( 1397 PWs) bands (ev): -15.4975 -15.4975 -13.3324 -13.3323 -11.2248 -11.2247 -10.8855 -10.8854 -4.4530 -4.4530 -1.5597 -1.5596 -0.3675 -0.3666 0.0693 0.0703 3.5284 3.5355 3.6093 3.6171 4.2326 4.2339 4.5929 4.5934 6.5236 6.5289 6.8125 6.8199 7.8970 7.9004 8.0826 8.0841 17.1822 17.1826 18.2329 18.2339 18.5438 18.5439 18.9310 18.9322 k = 0.0107 0.5091 0.3792 ( 1395 PWs) bands (ev): -15.4999 -15.4998 -13.3315 -13.3314 -11.2201 -11.2201 -10.8845 -10.8844 -4.4605 -4.4605 -1.5624 -1.5623 -0.3608 -0.3603 0.0662 0.0667 3.5518 3.5590 3.5926 3.6003 4.2300 4.2307 4.5867 4.5870 6.5537 6.5571 6.7895 6.7939 7.8954 7.8971 8.0838 8.0846 17.1910 17.1912 18.2271 18.2276 18.5596 18.5597 18.9167 18.9173 k = 0.0000 0.5058 0.3837 ( 1396 PWs) bands (ev): -15.5006 -15.5006 -13.3311 -13.3311 -11.2185 -11.2185 -10.8841 -10.8841 -4.4630 -4.4630 -1.5633 -1.5633 -0.3584 -0.3584 0.0653 0.0653 3.5733 3.5733 3.5808 3.5808 4.2294 4.2294 4.5847 4.5847 6.5667 6.5667 6.7819 6.7819 7.8954 7.8954 8.0845 8.0845 17.1941 17.1941 18.2253 18.2253 18.5652 18.5652 18.9118 18.9118 k = 0.0000 0.5058 0.3837 ( 1396 PWs) bands (ev): -15.5006 -15.5006 -13.3311 -13.3311 -11.2185 -11.2185 -10.8841 -10.8841 -4.4630 -4.4630 -1.5633 -1.5633 -0.3584 -0.3584 0.0653 0.0653 3.5733 3.5733 3.5808 3.5808 4.2294 4.2294 4.5847 4.5847 6.5667 6.5667 6.7819 6.7819 7.8954 7.8954 8.0845 8.0845 17.1941 17.1941 18.2253 18.2253 18.5652 18.5652 18.9118 18.9118 k = 0.0057 0.4992 0.3924 ( 1394 PWs) bands (ev): -15.4999 -15.4999 -13.3313 -13.3313 -11.2194 -11.2194 -10.8844 -10.8844 -4.4625 -4.4624 -1.5652 -1.5651 -0.3585 -0.3582 0.0662 0.0662 3.5679 3.5687 3.5773 3.5775 4.2359 4.2364 4.5880 4.5886 6.5674 6.5681 6.7820 6.7821 7.8954 7.8957 8.0842 8.0842 17.1946 17.1947 18.2243 18.2243 18.5655 18.5655 18.9107 18.9108 k = 0.0114 0.4926 0.4011 ( 1394 PWs) bands (ev): -15.4976 -15.4976 -13.3316 -13.3316 -11.2220 -11.2220 -10.8855 -10.8855 -4.4607 -4.4606 -1.5710 -1.5708 -0.3585 -0.3580 0.0688 0.0688 3.5498 3.5504 3.5709 3.5723 4.2549 4.2559 4.5982 4.5994 6.5702 6.5715 6.7824 6.7826 7.8956 7.8964 8.0834 8.0835 17.1963 17.1963 18.2211 18.2213 18.5661 18.5662 18.9074 18.9076 k = 0.0170 0.4859 0.4098 ( 1398 PWs) bands (ev): -15.4938 -15.4938 -13.3323 -13.3322 -11.2263 -11.2263 -10.8872 -10.8872 -4.4578 -4.4577 -1.5804 -1.5801 -0.3586 -0.3579 0.0730 0.0731 3.5202 3.5208 3.5628 3.5652 4.2843 4.2858 4.6152 4.6170 6.5751 6.5771 6.7830 6.7833 7.8961 7.8972 8.0820 8.0821 17.1990 17.1991 18.2160 18.2162 18.5672 18.5673 18.9020 18.9022 k = 0.0227 0.4793 0.4185 ( 1400 PWs) bands (ev): -15.4886 -15.4885 -13.3332 -13.3331 -11.2323 -11.2323 -10.8897 -10.8896 -4.4537 -4.4536 -1.5935 -1.5931 -0.3587 -0.3578 0.0789 0.0790 3.4825 3.4831 3.5526 3.5560 4.3216 4.3234 4.6384 4.6407 6.5820 6.5847 6.7840 6.7844 7.8968 7.8983 8.0800 8.0802 17.2029 17.2030 18.2088 18.2092 18.5686 18.5688 18.8944 18.8947 k = 0.0284 0.4727 0.4273 ( 1400 PWs) bands (ev): -15.4818 -15.4817 -13.3344 -13.3343 -11.2399 -11.2398 -10.8928 -10.8928 -4.4484 -4.4483 -1.6101 -1.6096 -0.3590 -0.3579 0.0862 0.0864 3.4393 3.4401 3.5407 3.5449 4.3642 4.3664 4.6674 4.6701 6.5911 6.5944 6.7853 6.7858 7.8977 7.8995 8.0776 8.0779 17.2078 17.2080 18.1998 18.2002 18.5704 18.5706 18.8849 18.8852 k = 0.0341 0.4661 0.4360 ( 1402 PWs) bands (ev): -15.4735 -15.4734 -13.3359 -13.3359 -11.2490 -11.2489 -10.8966 -10.8966 -4.4420 -4.4418 -1.6300 -1.6294 -0.3595 -0.3582 0.0948 0.0950 3.3927 3.3937 3.5275 3.5324 4.4103 4.4128 4.7016 4.7046 6.6022 6.6061 6.7870 6.7875 7.8987 7.9009 8.0746 8.0749 17.2139 17.2141 18.1889 18.1894 18.5724 18.5727 18.8733 18.8737 k = 0.0398 0.4595 0.4447 ( 1402 PWs) bands (ev): -15.4637 -15.4636 -13.3378 -13.3378 -11.2596 -11.2595 -10.9012 -10.9011 -4.4343 -4.4341 -1.6529 -1.6523 -0.3604 -0.3589 0.1044 0.1047 3.3444 3.3455 3.5134 3.5190 4.4584 4.4613 4.7403 4.7436 6.6153 6.6199 6.7891 6.7896 7.8998 7.9023 8.0711 8.0715 17.2211 17.2213 18.1764 18.1769 18.5747 18.5750 18.8599 18.8603 k = 0.0455 0.4529 0.4534 ( 1402 PWs) bands (ev): -15.4524 -15.4523 -13.3402 -13.3401 -11.2715 -11.2714 -10.9064 -10.9063 -4.4254 -4.4252 -1.6788 -1.6781 -0.3618 -0.3601 0.1148 0.1152 3.2955 3.2969 3.4990 3.5052 4.5074 4.5107 4.7829 4.7864 6.6305 6.6357 6.7916 6.7922 7.9009 7.9037 8.0671 8.0675 17.2294 17.2296 18.1622 18.1628 18.5770 18.5774 18.8448 18.8452 k = 0.0511 0.4463 0.4621 ( 1398 PWs) bands (ev): -15.4396 -15.4396 -13.3431 -13.3430 -11.2846 -11.2845 -10.9123 -10.9122 -4.4153 -4.4150 -1.7073 -1.7066 -0.3637 -0.3618 0.1258 0.1262 3.2471 3.2486 3.4847 3.4913 4.5567 4.5602 4.8288 4.8325 6.6476 6.6534 6.7945 6.7952 7.9019 7.9050 8.0626 8.0631 17.2389 17.2391 18.1466 18.1473 18.5794 18.5798 18.8281 18.8285 k = 0.0568 0.4396 0.4709 ( 1398 PWs) bands (ev): -15.4254 -15.4253 -13.3465 -13.3464 -11.2988 -11.2987 -10.9189 -10.9188 -4.4040 -4.4037 -1.7383 -1.7375 -0.3662 -0.3642 0.1370 0.1375 3.1999 3.2017 3.4707 3.4777 4.6054 4.6093 4.8775 4.8813 6.6666 6.6731 6.7981 6.7988 7.9027 7.9062 8.0576 8.0581 17.2495 17.2497 18.1297 18.1303 18.5817 18.5821 18.8099 18.8103 k = 0.0625 0.4330 0.4796 ( 1400 PWs) bands (ev): -15.4097 -15.4096 -13.3506 -13.3505 -11.3140 -11.3138 -10.9261 -10.9261 -4.3914 -4.3911 -1.7716 -1.7707 -0.3695 -0.3674 0.1481 0.1487 3.1546 3.1566 3.4573 3.4648 4.6534 4.6576 4.9286 4.9323 6.6875 6.6946 6.8022 6.8029 7.9032 7.9070 8.0521 8.0527 17.2613 17.2615 18.1116 18.1122 18.5836 18.5841 18.7904 18.7908 k = 0.0682 0.4264 0.4883 ( 1402 PWs) bands (ev): -15.3926 -15.3925 -13.3554 -13.3552 -11.3299 -11.3298 -10.9341 -10.9340 -4.3776 -4.3772 -1.8069 -1.8060 -0.3735 -0.3712 0.1588 0.1594 3.1118 3.1140 3.4448 3.4526 4.7001 4.7046 4.9814 4.9852 6.7101 6.7178 6.8069 6.8077 7.9033 7.9075 8.0462 8.0468 17.2741 17.2743 18.0924 18.0931 18.5852 18.5857 18.7698 18.7701 k = 0.0739 0.4198 0.4970 ( 1402 PWs) bands (ev): -15.3740 -15.3739 -13.3610 -13.3609 -11.3465 -11.3464 -10.9427 -10.9427 -4.3625 -4.3621 -1.8441 -1.8432 -0.3782 -0.3759 0.1687 0.1694 3.0720 3.0744 3.4334 3.4415 4.7454 4.7501 5.0355 5.0393 6.7344 6.7427 6.8125 6.8132 7.9031 7.9075 8.0398 8.0404 17.2882 17.2884 18.0724 18.0731 18.5862 18.5867 18.7482 18.7485 k = 0.0795 0.4132 0.5057 ( 1404 PWs) bands (ev): -15.3540 -15.3539 -13.3675 -13.3674 -11.3635 -11.3634 -10.9520 -10.9520 -4.3462 -4.3458 -1.8829 -1.8820 -0.3838 -0.3813 0.1774 0.1782 3.0356 3.0383 3.4230 3.4314 4.7891 4.7941 5.0906 5.0943 6.7602 6.7691 6.8188 6.8196 7.9022 7.9070 8.0329 8.0335 17.3033 17.3035 18.0518 18.0525 18.5864 18.5869 18.7258 18.7261 k = 0.0852 0.4066 0.5145 ( 1404 PWs) bands (ev): -15.3326 -15.3325 -13.3750 -13.3749 -11.3809 -11.3807 -10.9620 -10.9619 -4.3285 -4.3281 -1.9232 -1.9223 -0.3900 -0.3875 0.1846 0.1855 3.0031 3.0061 3.4140 3.4226 4.8311 4.8363 5.1461 5.1497 6.7873 6.7966 6.8263 6.8269 7.9008 7.9059 8.0256 8.0263 17.3196 17.3198 18.0306 18.0313 18.5856 18.5862 18.7027 18.7029 k = 0.0909 0.4000 0.5232 ( 1406 PWs) bands (ev): -15.3099 -15.3098 -13.3837 -13.3835 -11.3983 -11.3981 -10.9726 -10.9725 -4.3097 -4.3092 -1.9649 -1.9639 -0.3969 -0.3943 0.1900 0.1909 2.9747 2.9780 3.4062 3.4150 4.8714 4.8768 5.2018 5.2052 6.8150 6.8240 6.8358 6.8361 7.8987 7.9041 8.0178 8.0185 17.3369 17.3371 18.0092 18.0099 18.5837 18.5843 18.6791 18.6792 k = 0.0966 0.3933 0.5319 ( 1410 PWs) bands (ev): -15.2858 -15.2856 -13.3935 -13.3933 -11.4156 -11.4154 -10.9839 -10.9838 -4.2895 -4.2890 -2.0077 -2.0067 -0.4044 -0.4018 0.1933 0.1942 2.9508 2.9544 3.3997 3.4087 4.9099 4.9156 5.2571 5.2604 6.8390 6.8411 6.8506 6.8584 7.8959 7.9015 8.0096 8.0104 17.3554 17.3555 17.9877 17.9883 18.5803 18.5809 18.6551 18.6552 k = 0.1023 0.3867 0.5406 ( 1406 PWs) bands (ev): -15.2603 -15.2602 -13.4046 -13.4045 -11.4326 -11.4324 -10.9958 -10.9957 -4.2681 -4.2676 -2.0516 -2.0506 -0.4125 -0.4098 0.1941 0.1952 2.9316 2.9354 3.3944 3.4036 4.9468 4.9526 5.3117 5.3149 6.8521 6.8523 6.8783 6.8886 7.8923 7.8982 8.0011 8.0019 17.3749 17.3750 17.9662 17.9668 18.5753 18.5760 18.6310 18.6310 k = 0.1080 0.3801 0.5493 ( 1404 PWs) bands (ev): -15.2335 -15.2333 -13.4172 -13.4170 -11.4491 -11.4490 -11.0083 -11.0082 -4.2453 -4.2448 -2.0964 -2.0953 -0.4209 -0.4182 0.1923 0.1935 2.9171 2.9212 3.3904 3.3998 4.9820 4.9879 5.3652 5.3681 6.8641 6.8642 6.9091 6.9202 7.8878 7.8939 7.9921 7.9930 17.3955 17.3955 17.9450 17.9456 18.5685 18.5692 18.6067 18.6068 k = 0.1136 0.3735 0.5581 ( 1400 PWs) bands (ev): -15.2054 -15.2052 -13.4312 -13.4310 -11.4650 -11.4648 -11.0214 -11.0213 -4.2213 -4.2208 -2.1420 -2.1409 -0.4297 -0.4269 0.1878 0.1890 2.9074 2.9118 3.3875 3.3971 5.0157 5.0217 5.4172 5.4199 6.8771 6.8772 6.9408 6.9524 7.8824 7.8888 7.9828 7.9837 17.4170 17.4170 17.9242 17.9248 18.5596 18.5604 18.5825 18.5826 k = 0.1193 0.3669 0.5668 ( 1398 PWs) bands (ev): -15.1760 -15.1759 -13.4469 -13.4467 -11.4801 -11.4799 -11.0351 -11.0350 -4.1961 -4.1956 -2.1883 -2.1873 -0.4386 -0.4358 0.1804 0.1817 2.9026 2.9072 3.3858 3.3954 5.0479 5.0540 5.4673 5.4698 6.8915 6.8915 6.9729 6.9850 7.8761 7.8828 7.9731 7.9740 17.4394 17.4394 17.9040 17.9046 18.5484 18.5493 18.5586 18.5588 k = 0.1250 0.3603 0.5755 ( 1400 PWs) bands (ev): -15.1454 -15.1452 -13.4642 -13.4640 -11.4941 -11.4940 -11.0494 -11.0493 -4.1696 -4.1690 -2.2352 -2.2342 -0.4475 -0.4447 0.1701 0.1714 2.9024 2.9073 3.3850 3.3948 5.0788 5.0850 5.5152 5.5173 6.9074 6.9075 7.0052 7.0177 7.8689 7.8759 7.9631 7.9640 17.4626 17.4628 17.8846 17.8851 18.5326 18.5332 18.5374 18.5375 k = 0.1307 0.3537 0.5842 ( 1398 PWs) bands (ev): -15.1135 -15.1134 -13.4832 -13.4830 -11.5070 -11.5069 -11.0642 -11.0641 -4.1418 -4.1413 -2.2827 -2.2817 -0.4563 -0.4535 0.1569 0.1584 2.9066 2.9118 3.3852 3.3950 5.1086 5.1148 5.5604 5.5623 6.9248 6.9251 7.0374 7.0503 7.8608 7.8680 7.9527 7.9536 17.4867 17.4869 17.8662 17.8667 18.5100 18.5102 18.5207 18.5213 k = 0.1364 0.3470 0.5929 ( 1402 PWs) bands (ev): -15.0805 -15.0804 -13.5040 -13.5038 -11.5187 -11.5185 -11.0796 -11.0795 -4.1128 -4.1123 -2.3307 -2.3297 -0.4648 -0.4620 0.1410 0.1425 2.9151 2.9206 3.3861 3.3960 5.1373 5.1436 5.6026 5.6042 6.9439 6.9444 7.0694 7.0825 7.8518 7.8593 7.9420 7.9429 17.5115 17.5118 17.8489 17.8493 18.4868 18.4868 18.5026 18.5033 k = 0.1420 0.3404 0.6017 ( 1400 PWs) bands (ev): -15.0464 -15.0462 -13.5267 -13.5264 -11.5289 -11.5288 -11.0955 -11.0953 -4.0826 -4.0820 -2.3791 -2.3781 -0.4728 -0.4701 0.1226 0.1241 2.9275 2.9332 3.3877 3.3977 5.1652 5.1715 5.6416 5.6428 6.9648 6.9654 7.1009 7.1143 7.8420 7.8498 7.9309 7.9318 17.5370 17.5373 17.8329 17.8333 18.4637 18.4638 18.4823 18.4830 k = 0.1477 0.3338 0.6104 ( 1398 PWs) bands (ev): -15.0111 -15.0109 -13.5512 -13.5509 -11.5377 -11.5375 -11.1118 -11.1116 -4.0512 -4.0506 -2.4278 -2.4269 -0.4803 -0.4775 0.1018 0.1034 2.9433 2.9493 3.3898 3.3998 5.1925 5.1987 5.6770 5.6778 6.9873 6.9882 7.1318 7.1455 7.8315 7.8395 7.9195 7.9204 17.5631 17.5635 17.8183 17.8187 18.4410 18.4411 18.4597 18.4604 k = 0.1534 0.3272 0.6191 ( 1398 PWs) bands (ev): -14.9748 -14.9746 -13.5775 -13.5772 -11.5449 -11.5447 -11.1285 -11.1284 -4.0186 -4.0180 -2.4769 -2.4759 -0.4870 -0.4843 0.0788 0.0805 2.9623 2.9686 3.3923 3.4024 5.2192 5.2253 5.7086 5.7090 7.0116 7.0127 7.1619 7.1758 7.8202 7.8286 7.9078 7.9087 17.5898 17.5901 17.8053 17.8056 18.4186 18.4187 18.4350 18.4358 k = 0.1591 0.3206 0.6278 ( 1402 PWs) bands (ev): -14.9374 -14.9372 -13.6057 -13.6054 -11.5504 -11.5503 -11.1457 -11.1456 -3.9849 -3.9843 -2.5262 -2.5252 -0.4928 -0.4901 0.0540 0.0556 2.9839 2.9904 3.3951 3.4052 5.2455 5.2516 5.7362 5.7363 7.0375 7.0387 7.1910 7.2052 7.8084 7.8170 7.8957 7.8966 17.6168 17.6172 17.7940 17.7943 18.3964 18.3965 18.4084 18.4092 k = 0.1648 0.3140 0.6365 ( 1406 PWs) bands (ev): -14.8990 -14.8988 -13.6356 -13.6354 -11.5543 -11.5542 -11.1632 -11.1631 -3.9500 -3.9494 -2.5757 -2.5748 -0.4976 -0.4949 0.0275 0.0292 3.0076 3.0144 3.3980 3.4081 5.2716 5.2776 5.7594 5.7596 7.0648 7.0663 7.2190 7.2334 7.7961 7.8049 7.8832 7.8841 17.6441 17.6446 17.7844 17.7847 18.3742 18.3744 18.3804 18.3811 k = 0.1705 0.3074 0.6453 ( 1404 PWs) bands (ev): -14.8597 -14.8595 -13.6673 -13.6671 -11.5565 -11.5564 -11.1811 -11.1810 -3.9141 -3.9135 -2.6254 -2.6245 -0.5012 -0.4986 -0.0002 0.0015 3.0330 3.0401 3.4009 3.4110 5.2976 5.3035 5.7783 5.7789 7.0935 7.0952 7.2459 7.2604 7.7834 7.7925 7.8704 7.8713 17.6717 17.6723 17.7769 17.7771 18.3484 18.3493 18.3547 18.3549 k = 0.1761 0.3007 0.6540 ( 1406 PWs) bands (ev): -14.8195 -14.8193 -13.7007 -13.7005 -11.5570 -11.5569 -11.1992 -11.1991 -3.8771 -3.8764 -2.6752 -2.6743 -0.5036 -0.5010 -0.0290 -0.0272 3.0597 3.0670 3.4037 3.4138 5.3236 5.3294 5.7931 5.7940 7.1233 7.1252 7.2715 7.2861 7.7705 7.7798 7.8573 7.8580 17.6994 17.7000 17.7714 17.7716 18.3178 18.3187 18.3329 18.3331 k = 0.1818 0.2941 0.6627 ( 1406 PWs) bands (ev): -14.7784 -14.7782 -13.7358 -13.7355 -11.5559 -11.5558 -11.2176 -11.2175 -3.8390 -3.8384 -2.7251 -2.7242 -0.5045 -0.5020 -0.0585 -0.0567 3.0871 3.0948 3.4061 3.4162 5.3497 5.3554 5.8037 5.8050 7.1540 7.1561 7.2957 7.3104 7.7575 7.7670 7.8437 7.8444 17.7272 17.7278 17.7680 17.7682 18.2856 18.2866 18.3118 18.3120 k = 0.1875 0.2875 0.6714 ( 1404 PWs) bands (ev): -14.7365 -14.7363 -13.7723 -13.7720 -11.5532 -11.5530 -11.2362 -11.2360 -3.7999 -3.7993 -2.7751 -2.7742 -0.5040 -0.5015 -0.0884 -0.0866 3.1149 3.1228 3.4081 3.4181 5.3761 5.3816 5.8102 5.8119 7.1851 7.1874 7.3185 7.3333 7.7446 7.7542 7.8298 7.8304 17.7546 17.7554 17.7670 17.7673 18.2527 18.2537 18.2909 18.2912 k = 0.1932 0.2809 0.6801 ( 1406 PWs) bands (ev): -14.6939 -14.6937 -13.8102 -13.8100 -11.5488 -11.5487 -11.2549 -11.2547 -3.7599 -3.7593 -2.8250 -2.8242 -0.5019 -0.4994 -0.1186 -0.1167 3.1427 3.1509 3.4094 3.4194 5.4027 5.4081 5.8129 5.8148 7.2165 7.2190 7.3398 7.3546 7.7318 7.7416 7.8155 7.8160 17.7673 17.7675 17.7830 17.7835 18.2194 18.2204 18.2701 18.2705 k = 0.1989 0.2743 0.6889 ( 1406 PWs) bands (ev): -14.6506 -14.6504 -13.8495 -13.8492 -11.5430 -11.5428 -11.2737 -11.2735 -3.7190 -3.7184 -2.8750 -2.8741 -0.4981 -0.4957 -0.1487 -0.1468 3.1700 3.1785 3.4101 3.4200 5.4295 5.4348 5.8118 5.8140 7.2478 7.2505 7.3596 7.3743 7.7195 7.7294 7.8008 7.8012 17.7707 17.7708 17.8101 17.8106 18.1860 18.1870 18.2494 18.2498 k = 0.2045 0.2677 0.6976 ( 1406 PWs) bands (ev): -14.6068 -14.6065 -13.8900 -13.8897 -11.5357 -11.5356 -11.2925 -11.2923 -3.6772 -3.6765 -2.9248 -2.9240 -0.4926 -0.4903 -0.1785 -0.1766 3.1966 3.2054 3.4098 3.4196 5.4566 5.4617 5.8071 5.8096 7.2785 7.2814 7.3777 7.3924 7.7077 7.7177 7.7858 7.7860 17.7763 17.7764 17.8368 17.8374 18.1528 18.1539 18.2286 18.2291 k = 0.2102 0.2611 0.7063 ( 1402 PWs) bands (ev): -14.5623 -14.5621 -13.9315 -13.9313 -11.5270 -11.5269 -11.3112 -11.3111 -3.6345 -3.6339 -2.9746 -2.9738 -0.4854 -0.4831 -0.2079 -0.2059 3.2222 3.2312 3.4085 3.4182 5.4840 5.4889 5.7991 5.8019 7.3083 7.3114 7.3942 7.4088 7.6968 7.7067 7.7706 7.7706 17.7841 17.7843 17.8629 17.8635 18.1204 18.1215 18.2078 18.2083 k = 0.2159 0.2544 0.7150 ( 1400 PWs) bands (ev): -14.5174 -14.5172 -13.9741 -13.9738 -11.5171 -11.5169 -11.3299 -11.3297 -3.5911 -3.5904 -3.0242 -3.0234 -0.4764 -0.4741 -0.2365 -0.2345 3.2464 3.2558 3.4061 3.4156 5.5114 5.5162 5.7880 5.7910 7.3366 7.3401 7.4089 7.4233 7.6869 7.6968 7.7549 7.7552 17.7941 17.7944 17.8881 17.8886 18.0892 18.0903 18.1868 18.1874 k = 0.2216 0.2478 0.7237 ( 1396 PWs) bands (ev): -14.4721 -14.4719 -14.0174 -14.0172 -11.5059 -11.5058 -11.3483 -11.3482 -3.5469 -3.5462 -3.0736 -3.0728 -0.4656 -0.4633 -0.2642 -0.2622 3.2692 3.2789 3.4024 3.4117 5.5389 5.5435 5.7741 5.7773 7.3630 7.3668 7.4217 7.4359 7.6785 7.6882 7.7393 7.7400 17.8065 17.8067 17.9115 17.9119 18.0602 18.0613 18.1657 18.1664 k = 0.2273 0.2412 0.7325 ( 1398 PWs) bands (ev): -14.4265 -14.4263 -14.0615 -14.0612 -11.4937 -11.4935 -11.3665 -11.3664 -3.5020 -3.5013 -3.1228 -3.1220 -0.4529 -0.4507 -0.2909 -0.2889 3.2903 3.3004 3.3973 3.4063 5.5664 5.5708 5.7576 5.7611 7.3869 7.3911 7.4323 7.4463 7.6719 7.6813 7.7241 7.7251 17.8209 17.8212 17.9311 17.9313 18.0354 18.0367 18.1443 18.1451 k = 0.2330 0.2346 0.7412 ( 1396 PWs) bands (ev): -14.3807 -14.3804 -14.1062 -14.1059 -11.4804 -11.4802 -11.3844 -11.3843 -3.4564 -3.4557 -3.1717 -3.1709 -0.4385 -0.4363 -0.3165 -0.3144 3.3094 3.3201 3.3907 3.3993 5.5935 5.5977 5.7388 5.7426 7.4075 7.4122 7.4404 7.4541 7.6676 7.6765 7.7096 7.7110 17.8374 17.8377 17.9415 17.9416 18.0206 18.0220 18.1228 18.1236 k = 0.2386 0.2280 0.7499 ( 1396 PWs) bands (ev): -14.3347 -14.3345 -14.1514 -14.1511 -11.4662 -11.4660 -11.4019 -11.4018 -3.4102 -3.4095 -3.2202 -3.2195 -0.4223 -0.4202 -0.3407 -0.3385 3.3265 3.3379 3.3829 3.3907 5.6202 5.6241 5.7181 5.7221 7.4242 7.4292 7.4455 7.4590 7.6659 7.6744 7.6966 7.6984 17.8558 17.8561 17.9356 17.9357 18.0230 18.0243 18.1011 18.1021 k = 0.2443 0.2214 0.7586 ( 1394 PWs) bands (ev): -14.2887 -14.2884 -14.1969 -14.1967 -11.4512 -11.4510 -11.4189 -11.4188 -3.3634 -3.3627 -3.2684 -3.2676 -0.4043 -0.4024 -0.3634 -0.3612 3.3406 3.3539 3.3743 3.3803 5.6461 5.6495 5.6957 5.7003 7.4363 7.4411 7.4471 7.4610 7.6670 7.6754 7.6861 7.6879 17.8758 17.8761 17.9182 17.9183 18.0380 18.0391 18.0795 18.0807 k = 0.2500 0.2147 0.7673 ( 1392 PWs) bands (ev): -14.2428 -14.2426 -14.2426 -14.2423 -11.4355 -11.4352 -11.4352 -11.4352 -3.3164 -3.3159 -3.3159 -3.3150 -0.3852 -0.3852 -0.3842 -0.3800 3.3476 3.3669 3.3691 3.3692 5.6682 5.6683 5.6747 5.6827 7.4424 7.4457 7.4457 7.4611 7.6686 7.6788 7.6813 7.6813 17.8949 17.8954 17.8992 17.8992 18.0551 18.0551 18.0610 18.0631 k = 0.2500 0.2147 0.7673 ( 1392 PWs) bands (ev): -14.2428 -14.2426 -14.2426 -14.2423 -11.4355 -11.4352 -11.4352 -11.4352 -3.3164 -3.3159 -3.3159 -3.3150 -0.3852 -0.3852 -0.3842 -0.3800 3.3476 3.3669 3.3691 3.3692 5.6682 5.6683 5.6747 5.6827 7.4424 7.4457 7.4457 7.4611 7.6686 7.6788 7.6813 7.6813 17.8949 17.8954 17.8992 17.8992 18.0551 18.0551 18.0610 18.0631 k = 0.2571 0.2209 0.7593 ( 1392 PWs) bands (ev): -14.2721 -14.2718 -14.2135 -14.2132 -11.4458 -11.4456 -11.4246 -11.4244 -3.3481 -3.3474 -3.2854 -3.2847 -0.3955 -0.3936 -0.3702 -0.3678 3.3426 3.3568 3.3718 3.3767 5.6533 5.6562 5.6880 5.6931 7.4397 7.4434 7.4458 7.4601 7.6694 7.6783 7.6842 7.6851 17.8837 17.8839 17.9096 17.9096 18.0442 18.0451 18.0748 18.0759 k = 0.2643 0.2270 0.7512 ( 1396 PWs) bands (ev): -14.3000 -14.2998 -14.1859 -14.1857 -11.4558 -11.4556 -11.4133 -11.4132 -3.3815 -3.3809 -3.2558 -3.2551 -0.4011 -0.3990 -0.3535 -0.3512 3.3291 3.3409 3.3781 3.3852 5.6322 5.6358 5.7038 5.7082 7.4352 7.4384 7.4423 7.4560 7.6741 7.6821 7.6906 7.6913 17.8723 17.8724 17.9188 17.9190 18.0311 18.0320 18.0957 18.0966 k = 0.2714 0.2332 0.7431 ( 1402 PWs) bands (ev): -14.3264 -14.3262 -14.1601 -14.1599 -11.4654 -11.4652 -11.4019 -11.4017 -3.4158 -3.4152 -3.2273 -3.2267 -0.4018 -0.3997 -0.3346 -0.3324 3.3100 3.3207 3.3855 3.3936 5.6077 5.6116 5.7190 5.7231 7.4300 7.4321 7.4352 7.4484 7.6833 7.6908 7.6987 7.6987 17.8625 17.8626 17.9263 17.9266 18.0179 18.0190 18.1202 18.1209 k = 0.2786 0.2393 0.7350 ( 1400 PWs) bands (ev): -14.3512 -14.3510 -14.1361 -14.1359 -11.4746 -11.4744 -11.3903 -11.3901 -3.4506 -3.4500 -3.1999 -3.1993 -0.3979 -0.3958 -0.3136 -0.3114 3.2866 3.2967 3.3930 3.4015 5.5801 5.5842 5.7327 5.7367 7.4228 7.4243 7.4270 7.4390 7.6961 7.7034 7.7072 7.7085 17.8545 17.8547 17.9331 17.9335 18.0051 18.0061 18.1469 18.1475 k = 0.2857 0.2454 0.7269 ( 1406 PWs) bands (ev): -14.3746 -14.3743 -14.1139 -14.1137 -11.4833 -11.4832 -11.3787 -11.3786 -3.4854 -3.4849 -3.1738 -3.1732 -0.3898 -0.3876 -0.2905 -0.2882 3.2596 3.2692 3.4002 3.4089 5.5496 5.5538 5.7447 5.7485 7.4110 7.4141 7.4216 7.4302 7.7097 7.7143 7.7211 7.7211 17.8483 17.8486 17.9397 17.9402 17.9926 17.9936 18.1750 18.1755 k = 0.2929 0.2516 0.7188 ( 1406 PWs) bands (ev): -14.3963 -14.3961 -14.0935 -14.0933 -11.4916 -11.4915 -11.3673 -11.3672 -3.5196 -3.5191 -3.1489 -3.1484 -0.3778 -0.3756 -0.2653 -0.2631 3.2296 3.2387 3.4069 3.4157 5.5165 5.5208 5.7543 5.7581 7.3973 7.4011 7.4172 7.4234 7.7212 7.7233 7.7387 7.7399 17.8438 17.8442 17.9464 17.9469 17.9806 17.9816 18.2040 18.2044 k = 0.3000 0.2577 0.7107 ( 1410 PWs) bands (ev): -14.4164 -14.4162 -14.0749 -14.0747 -11.4995 -11.4994 -11.3562 -11.3561 -3.5528 -3.5523 -3.1253 -3.1248 -0.3623 -0.3601 -0.2383 -0.2360 3.1969 3.2057 3.4127 3.4216 5.4813 5.4856 5.7612 5.7650 7.3830 7.3867 7.4133 7.4181 7.7313 7.7321 7.7595 7.7608 17.8409 17.8415 17.9532 17.9538 17.9694 17.9703 18.2334 18.2339 k = 0.3071 0.2638 0.7026 ( 1408 PWs) bands (ev): -14.4349 -14.4347 -14.0581 -14.0578 -11.5069 -11.5068 -11.3457 -11.3456 -3.5844 -3.5840 -3.1030 -3.1026 -0.3438 -0.3415 -0.2095 -0.2072 3.1621 3.1707 3.4177 3.4265 5.4441 5.4484 5.7651 5.7690 7.3688 7.3720 7.4100 7.4137 7.7409 7.7409 7.7821 7.7831 17.8393 17.8401 17.9569 17.9581 17.9628 17.9629 18.2632 18.2636 k = 0.3143 0.2700 0.6945 ( 1408 PWs) bands (ev): -14.4518 -14.4516 -14.0431 -14.0428 -11.5138 -11.5137 -11.3358 -11.3357 -3.6140 -3.6137 -3.0821 -3.0816 -0.3225 -0.3202 -0.1791 -0.1768 3.1256 3.1340 3.4216 3.4303 5.4054 5.4097 5.7659 5.7698 7.3549 7.3576 7.4071 7.4100 7.7495 7.7502 7.8058 7.8064 17.8385 17.8395 17.9496 17.9507 17.9689 17.9691 18.2930 18.2935 k = 0.3214 0.2761 0.6865 ( 1408 PWs) bands (ev): -14.4670 -14.4669 -14.0298 -14.0296 -11.5201 -11.5200 -11.3268 -11.3266 -3.6412 -3.6408 -3.0624 -3.0620 -0.2989 -0.2967 -0.1473 -0.1450 3.0879 3.0960 3.4243 3.4328 5.3657 5.3698 5.7634 5.7674 7.3417 7.3438 7.4046 7.4069 7.7581 7.7592 7.8300 7.8303 17.8378 17.8390 17.9436 17.9445 17.9762 17.9763 18.3229 18.3235 k = 0.3286 0.2822 0.6784 ( 1401 PWs) bands (ev): -14.4806 -14.4804 -14.0184 -14.0182 -11.5260 -11.5259 -11.3187 -11.3186 -3.6654 -3.6651 -3.0440 -3.0436 -0.2735 -0.2713 -0.1143 -0.1120 3.0494 3.0573 3.4255 3.4339 5.3253 5.3293 5.7575 5.7616 7.3294 7.3308 7.4024 7.4041 7.7665 7.7680 7.8544 7.8545 17.8362 17.8375 17.9408 17.9416 17.9834 17.9835 18.3530 18.3536 k = 0.3357 0.2884 0.6703 ( 1403 PWs) bands (ev): -14.4925 -14.4923 -14.0087 -14.0085 -11.5314 -11.5313 -11.3118 -11.3117 -3.6863 -3.6860 -3.0269 -3.0266 -0.2465 -0.2443 -0.0804 -0.0781 3.0104 3.0181 3.4253 3.4334 5.2846 5.2884 5.7483 5.7524 7.3179 7.3188 7.4002 7.4015 7.7747 7.7766 7.8784 7.8788 17.8326 17.8342 17.9425 17.9431 17.9900 17.9900 18.3830 18.3836 k = 0.3429 0.2945 0.6622 ( 1401 PWs) bands (ev): -14.5027 -14.5025 -14.0008 -14.0006 -11.5362 -11.5361 -11.3062 -11.3060 -3.7035 -3.7032 -3.0111 -3.0108 -0.2184 -0.2162 -0.0459 -0.0435 2.9714 2.9789 3.4233 3.4312 5.2441 5.2477 5.7357 5.7400 7.3075 7.3079 7.3982 7.3991 7.7828 7.7850 7.9020 7.9026 17.8268 17.8285 17.9490 17.9495 17.9957 17.9958 18.4131 18.4138 k = 0.3500 0.3006 0.6541 ( 1399 PWs) bands (ev): -14.5112 -14.5110 -13.9946 -13.9944 -11.5404 -11.5403 -11.3019 -11.3018 -3.7168 -3.7165 -2.9966 -2.9962 -0.1894 -0.1873 -0.0111 -0.0087 2.9329 2.9403 3.4196 3.4271 5.2042 5.2076 5.7199 5.7243 7.2981 7.2982 7.3960 7.3966 7.7907 7.7932 7.9250 7.9258 17.8188 17.8206 17.9602 17.9607 18.0002 18.0004 18.4433 18.4441 k = 0.3571 0.3068 0.6460 ( 1403 PWs) bands (ev): -14.5179 -14.5178 -13.9901 -13.9900 -11.5441 -11.5441 -11.2991 -11.2990 -3.7258 -3.7255 -2.9832 -2.9829 -0.1600 -0.1579 0.0237 0.0261 2.8953 2.9025 3.4139 3.4211 5.1653 5.1684 5.7011 5.7056 7.2894 7.2899 7.3937 7.3940 7.7985 7.8012 7.9469 7.9479 17.8090 17.8109 17.9756 17.9761 18.0033 18.0036 18.4737 18.4745 k = 0.3643 0.3129 0.6379 ( 1401 PWs) bands (ev): -14.5230 -14.5229 -13.9874 -13.9873 -11.5473 -11.5472 -11.2979 -11.2978 -3.7302 -3.7301 -2.9711 -2.9708 -0.1304 -0.1284 0.0582 0.0606 2.8590 2.8660 3.4061 3.4128 5.1279 5.1307 5.6793 5.6839 7.2817 7.2826 7.3911 7.3911 7.8062 7.8091 7.9678 7.9688 17.7980 17.7999 17.9943 17.9948 18.0051 18.0055 18.5042 18.5051 k = 0.3714 0.3191 0.6298 ( 1402 PWs) bands (ev): -14.5263 -14.5262 -13.9865 -13.9863 -11.5498 -11.5498 -11.2983 -11.2982 -3.7300 -3.7299 -2.9601 -2.9598 -0.1009 -0.0990 0.0918 0.0942 2.8245 2.8313 3.3961 3.4024 5.0923 5.0947 5.6548 5.6595 7.2751 7.2763 7.3879 7.3881 7.8138 7.8168 7.9871 7.9883 17.7862 17.7881 18.0025 18.0030 18.0186 18.0191 18.5347 18.5356 k = 0.3786 0.3252 0.6217 ( 1404 PWs) bands (ev): -14.5279 -14.5278 -13.9873 -13.9871 -11.5518 -11.5518 -11.3003 -11.3002 -3.7250 -3.7248 -2.9502 -2.9500 -0.0718 -0.0700 0.1242 0.1266 2.7922 2.7989 3.3838 3.3895 5.0589 5.0609 5.6278 5.6325 7.2694 7.2709 7.3842 7.3847 7.8213 7.8245 8.0048 8.0060 17.7737 17.7756 17.9995 18.0002 18.0439 18.0445 18.5652 18.5661 k = 0.3857 0.3313 0.6137 ( 1402 PWs) bands (ev): -14.5277 -14.5276 -13.9898 -13.9896 -11.5532 -11.5532 -11.3039 -11.3038 -3.7150 -3.7149 -2.9415 -2.9413 -0.0434 -0.0417 0.1550 0.1574 2.7627 2.7692 3.3691 3.3743 5.0280 5.0295 5.5983 5.6031 7.2646 7.2663 7.3801 7.3806 7.8289 7.8322 8.0207 8.0219 17.7607 17.7626 17.9936 17.9944 18.0724 18.0730 18.5955 18.5965 k = 0.3929 0.3375 0.6056 ( 1404 PWs) bands (ev): -14.5258 -14.5257 -13.9940 -13.9939 -11.5541 -11.5540 -11.3091 -11.3090 -3.7000 -3.6999 -2.9338 -2.9336 -0.0159 -0.0143 0.1838 0.1861 2.7363 2.7426 3.3520 3.3567 4.9999 5.0009 5.5667 5.5715 7.2607 7.2626 7.3753 7.3760 7.8365 7.8399 8.0346 8.0358 17.7474 17.7493 17.9848 17.9858 18.1035 18.1042 18.6254 18.6264 k = 0.4000 0.3436 0.5975 ( 1406 PWs) bands (ev): -14.5221 -14.5220 -14.0001 -14.0000 -11.5543 -11.5543 -11.3159 -11.3158 -3.6799 -3.6798 -2.9272 -2.9270 0.0104 0.0119 0.2100 0.2123 2.7136 2.7197 3.3326 3.3366 4.9747 4.9753 5.5330 5.5379 7.2575 7.2595 7.3699 7.3706 7.8442 7.8476 8.0463 8.0474 17.7339 17.7357 17.9730 17.9741 18.1371 18.1379 18.6544 18.6554 k = 0.4071 0.3497 0.5894 ( 1406 PWs) bands (ev): -14.5167 -14.5166 -14.0080 -14.0078 -11.5540 -11.5539 -11.3242 -11.3240 -3.6549 -3.6548 -2.9216 -2.9215 0.0355 0.0368 0.2334 0.2356 2.6949 2.7008 3.3108 3.3142 4.9528 4.9528 5.4975 5.5023 7.2550 7.2571 7.3637 7.3646 7.8520 7.8555 8.0557 8.0567 17.7201 17.7219 17.9582 17.9593 18.1731 18.1739 18.6823 18.6833 k = 0.4143 0.3559 0.5813 ( 1407 PWs) bands (ev): -14.5095 -14.5094 -14.0176 -14.0175 -11.5530 -11.5530 -11.3338 -11.3336 -3.6248 -3.6248 -2.9170 -2.9169 0.0590 0.0602 0.2534 0.2556 2.6806 2.6864 3.2867 3.2895 4.9336 4.9340 5.4602 5.4651 7.2530 7.2552 7.3568 7.3577 7.8600 7.8635 8.0627 8.0637 17.7061 17.7079 17.9403 17.9415 18.2112 18.2120 18.7085 18.7094 k = 0.4214 0.3620 0.5732 ( 1407 PWs) bands (ev): -14.5005 -14.5004 -14.0291 -14.0290 -11.5515 -11.5515 -11.3446 -11.3445 -3.5900 -3.5899 -2.9135 -2.9134 0.0809 0.0819 0.2699 0.2720 2.6712 2.6767 3.2606 3.2626 4.9177 4.9186 5.4214 5.4263 7.2515 7.2537 7.3491 7.3500 7.8682 7.8717 8.0673 8.0682 17.6919 17.6937 17.9192 17.9205 18.2514 18.2522 18.7324 18.7333 k = 0.4286 0.3681 0.5651 ( 1411 PWs) bands (ev): -14.4897 -14.4897 -14.0425 -14.0424 -11.5494 -11.5494 -11.3565 -11.3564 -3.5503 -3.5503 -2.9110 -2.9109 0.1009 0.1018 0.2825 0.2845 2.6667 2.6721 3.2324 3.2338 4.9051 4.9065 5.3812 5.3861 7.2504 7.2525 7.3407 7.3415 7.8767 7.8801 8.0695 8.0702 17.6776 17.6794 17.8949 17.8963 18.2933 18.2941 18.7534 18.7543 k = 0.4357 0.3743 0.5570 ( 1411 PWs) bands (ev): -14.4772 -14.4771 -14.0578 -14.0577 -11.5467 -11.5467 -11.3694 -11.3693 -3.5062 -3.5061 -2.9095 -2.9094 0.1191 0.1198 0.2910 0.2929 2.6675 2.6727 3.2025 3.2033 4.8957 4.8976 5.3398 5.3446 7.2494 7.2515 7.3314 7.3322 7.8854 7.8888 8.0693 8.0698 17.6632 17.6649 17.8678 17.8692 18.3369 18.3377 18.7711 18.7718 k = 0.4429 0.3804 0.5489 ( 1411 PWs) bands (ev): -14.4629 -14.4628 -14.0750 -14.0749 -11.5435 -11.5435 -11.3830 -11.3829 -3.4576 -3.4575 -2.9090 -2.9089 0.1354 0.1359 0.2953 0.2972 2.6737 2.6786 3.1711 3.1713 4.8895 4.8918 5.2971 5.3019 7.2484 7.2504 7.3212 7.3220 7.8946 7.8978 8.0667 8.0671 17.6485 17.6502 17.8378 17.8393 18.3819 18.3827 18.7849 18.7855 k = 0.4500 0.3865 0.5409 ( 1409 PWs) bands (ev): -14.4468 -14.4468 -14.0942 -14.0941 -11.5396 -11.5396 -11.3973 -11.3972 -3.4049 -3.4048 -2.9095 -2.9095 0.1496 0.1499 0.2954 0.2972 2.6852 2.6899 3.1382 3.1385 4.8862 4.8889 5.2535 5.2582 7.2472 7.2491 7.3103 7.3111 7.9040 7.9072 8.0619 8.0620 17.6337 17.6354 17.8052 17.8068 18.4282 18.4290 18.7946 18.7951 k = 0.4571 0.3927 0.5328 ( 1408 PWs) bands (ev): -14.4290 -14.4289 -14.1153 -14.1153 -11.5352 -11.5352 -11.4119 -11.4118 -3.3483 -3.3482 -2.9111 -2.9111 0.1618 0.1619 0.2914 0.2930 2.7019 2.7064 3.1041 3.1050 4.8857 4.8888 5.2089 5.2136 7.2456 7.2473 7.2987 7.2993 7.9139 7.9170 8.0549 8.0550 17.6187 17.6204 17.7702 17.7718 18.4754 18.4762 18.8000 18.8004 k = 0.4643 0.3988 0.5247 ( 1408 PWs) bands (ev): -14.4093 -14.4093 -14.1385 -14.1384 -11.5303 -11.5302 -11.4267 -11.4266 -3.2881 -3.2880 -2.9137 -2.9137 0.1719 0.1720 0.2834 0.2849 2.7238 2.7280 3.0695 3.0709 4.8878 4.8912 5.1635 5.1681 7.2434 7.2449 7.2863 7.2869 7.9241 7.9271 8.0458 8.0462 17.6036 17.6052 17.7330 17.7346 18.5234 18.5241 18.8015 18.8018 k = 0.4714 0.4050 0.5166 ( 1402 PWs) bands (ev): -14.3879 -14.3879 -14.1637 -14.1636 -11.5247 -11.5247 -11.4415 -11.4414 -3.2246 -3.2245 -2.9175 -2.9175 0.1799 0.1801 0.2716 0.2730 2.7504 2.7545 3.0346 3.0364 4.8923 4.8959 5.1174 5.1220 7.2402 7.2414 7.2734 7.2738 7.9347 7.9376 8.0350 8.0357 17.5884 17.5899 17.6940 17.6956 18.5719 18.5725 18.7993 18.7994 k = 0.4786 0.4111 0.5085 ( 1404 PWs) bands (ev): -14.3648 -14.3648 -14.1909 -14.1909 -11.5187 -11.5187 -11.4562 -11.4561 -3.1581 -3.1580 -2.9224 -2.9223 0.1859 0.1863 0.2564 0.2577 2.7816 2.7854 2.9998 3.0020 4.8988 4.9026 5.0707 5.0752 7.2356 7.2366 7.2599 7.2602 7.9457 7.9484 8.0228 8.0239 17.5728 17.5744 17.6534 17.6549 18.6204 18.6209 18.7938 18.7938 k = 0.4857 0.4172 0.5004 ( 1402 PWs) bands (ev): -14.3399 -14.3399 -14.2202 -14.2202 -11.5121 -11.5121 -11.4705 -11.4704 -3.0889 -3.0888 -2.9284 -2.9284 0.1900 0.1907 0.2381 0.2392 2.8169 2.8205 2.9654 2.9680 4.9070 4.9110 5.0235 5.0279 7.2292 7.2299 7.2461 7.2463 7.9570 7.9595 8.0096 8.0110 17.5571 17.5586 17.6116 17.6131 18.6686 18.6691 18.7855 18.7856 k = 0.4929 0.4234 0.4923 ( 1402 PWs) bands (ev): -14.3132 -14.3132 -14.2515 -14.2515 -11.5050 -11.5049 -11.4843 -11.4842 -3.0175 -3.0174 -2.9357 -2.9356 0.1923 0.1931 0.2170 0.2181 2.8559 2.8592 2.9319 2.9348 4.9168 4.9209 4.9759 4.9802 7.2203 7.2207 7.2325 7.2326 7.9685 7.9709 7.9957 7.9975 17.5413 17.5427 17.5689 17.5704 18.7161 18.7165 18.7751 18.7753 k = 0.5000 0.4295 0.4842 ( 1404 PWs) bands (ev): -14.2850 -14.2850 -14.2846 -14.2846 -11.4975 -11.4975 -11.4972 -11.4972 -2.9446 -2.9446 -2.9436 -2.9436 0.1914 0.1914 0.1960 0.1960 2.8942 2.8942 2.9065 2.9065 4.9268 4.9268 4.9331 4.9331 7.2084 7.2084 7.2193 7.2193 7.9786 7.9786 7.9854 7.9854 17.5240 17.5240 17.5283 17.5283 18.7605 18.7605 18.7651 18.7651 k = 0.5000 0.4295 0.4842 ( 1404 PWs) bands (ev): -14.2850 -14.2850 -14.2846 -14.2846 -11.4975 -11.4975 -11.4972 -11.4972 -2.9446 -2.9446 -2.9436 -2.9436 0.1914 0.1914 0.1960 0.1960 2.8942 2.8942 2.9065 2.9065 4.9268 4.9268 4.9331 4.9331 7.2084 7.2084 7.2193 7.2193 7.9786 7.9786 7.9854 7.9854 17.5240 17.5240 17.5283 17.5283 18.7605 18.7605 18.7651 18.7651 k = 0.5000 0.4295 0.4721 ( 1404 PWs) bands (ev): -14.2889 -14.2889 -14.2885 -14.2885 -11.5009 -11.5009 -11.5006 -11.5006 -2.8959 -2.8959 -2.8950 -2.8950 0.1727 0.1727 0.1774 0.1774 2.9037 2.9037 2.9160 2.9160 4.9000 4.9000 4.9062 4.9062 7.1875 7.1875 7.1986 7.1986 7.9769 7.9769 7.9840 7.9840 17.4787 17.4787 17.4830 17.4830 18.7848 18.7848 18.7895 18.7895 k = 0.5000 0.4295 0.4600 ( 1412 PWs) bands (ev): -14.2931 -14.2930 -14.2927 -14.2927 -11.5038 -11.5038 -11.5034 -11.5034 -2.8474 -2.8474 -2.8464 -2.8464 0.1537 0.1537 0.1586 0.1586 2.9140 2.9140 2.9263 2.9263 4.8744 4.8744 4.8805 4.8805 7.1651 7.1651 7.1763 7.1763 7.9752 7.9752 7.9825 7.9825 17.4323 17.4323 17.4364 17.4364 18.8088 18.8088 18.8137 18.8137 k = 0.5000 0.4295 0.4479 ( 1412 PWs) bands (ev): -14.2975 -14.2975 -14.2972 -14.2972 -11.5061 -11.5061 -11.5057 -11.5057 -2.7992 -2.7992 -2.7982 -2.7982 0.1346 0.1346 0.1395 0.1396 2.9254 2.9254 2.9377 2.9377 4.8499 4.8499 4.8559 4.8559 7.1410 7.1410 7.1525 7.1525 7.9737 7.9737 7.9811 7.9811 17.3849 17.3849 17.3891 17.3891 18.8323 18.8323 18.8374 18.8374 k = 0.5000 0.4295 0.4358 ( 1414 PWs) bands (ev): -14.3023 -14.3023 -14.3020 -14.3020 -11.5078 -11.5078 -11.5074 -11.5074 -2.7515 -2.7515 -2.7506 -2.7506 0.1154 0.1154 0.1205 0.1205 2.9379 2.9379 2.9501 2.9501 4.8268 4.8268 4.8326 4.8327 7.1154 7.1154 7.1269 7.1269 7.9721 7.9721 7.9797 7.9797 17.3370 17.3370 17.3411 17.3411 18.8550 18.8550 18.8603 18.8603 k = 0.5000 0.4295 0.4237 ( 1408 PWs) bands (ev): -14.3074 -14.3074 -14.3070 -14.3070 -11.5089 -11.5089 -11.5085 -11.5085 -2.7047 -2.7047 -2.7039 -2.7039 0.0964 0.0964 0.1016 0.1016 2.9515 2.9515 2.9636 2.9636 4.8051 4.8051 4.8108 4.8108 7.0881 7.0881 7.0998 7.0998 7.9707 7.9707 7.9784 7.9784 17.2889 17.2889 17.2929 17.2929 18.8768 18.8768 18.8822 18.8822 k = 0.5000 0.4295 0.4116 ( 1412 PWs) bands (ev): -14.3127 -14.3127 -14.3124 -14.3124 -11.5094 -11.5094 -11.5090 -11.5090 -2.6591 -2.6591 -2.6582 -2.6582 0.0777 0.0777 0.0830 0.0830 2.9662 2.9662 2.9783 2.9783 4.7849 4.7849 4.7903 4.7903 7.0593 7.0593 7.0710 7.0710 7.9693 7.9693 7.9771 7.9771 17.2408 17.2409 17.2448 17.2448 18.8972 18.8972 18.9028 18.9028 k = 0.5000 0.4295 0.3995 ( 1414 PWs) bands (ev): -14.3183 -14.3183 -14.3180 -14.3180 -11.5092 -11.5092 -11.5088 -11.5088 -2.6147 -2.6147 -2.6138 -2.6138 0.0594 0.0594 0.0648 0.0648 2.9822 2.9822 2.9942 2.9942 4.7662 4.7662 4.7714 4.7714 7.0288 7.0288 7.0406 7.0406 7.9680 7.9680 7.9759 7.9759 17.1931 17.1931 17.1969 17.1969 18.9162 18.9162 18.9219 18.9219 k = 0.5000 0.4295 0.3874 ( 1418 PWs) bands (ev): -14.3242 -14.3242 -14.3239 -14.3239 -11.5084 -11.5084 -11.5080 -11.5080 -2.5719 -2.5719 -2.5710 -2.5710 0.0417 0.0417 0.0473 0.0473 2.9994 2.9994 3.0113 3.0113 4.7490 4.7490 4.7540 4.7540 6.9966 6.9966 7.0085 7.0085 7.9668 7.9668 7.9747 7.9747 17.1459 17.1459 17.1496 17.1496 18.9334 18.9334 18.9393 18.9393 k = 0.5000 0.4295 0.3753 ( 1418 PWs) bands (ev): -14.3303 -14.3303 -14.3300 -14.3300 -11.5070 -11.5070 -11.5066 -11.5066 -2.5309 -2.5309 -2.5300 -2.5300 0.0248 0.0248 0.0305 0.0305 3.0179 3.0179 3.0297 3.0297 4.7335 4.7335 4.7382 4.7382 6.9629 6.9629 6.9747 6.9747 7.9656 7.9656 7.9735 7.9735 17.0995 17.0995 17.1031 17.1031 18.9488 18.9488 18.9547 18.9547 k = 0.5000 0.4295 0.3632 ( 1418 PWs) bands (ev): -14.3366 -14.3366 -14.3363 -14.3363 -11.5049 -11.5049 -11.5045 -11.5045 -2.4920 -2.4920 -2.4910 -2.4910 0.0089 0.0089 0.0147 0.0147 3.0377 3.0377 3.0494 3.0494 4.7196 4.7196 4.7239 4.7240 6.9275 6.9275 6.9394 6.9394 7.9645 7.9645 7.9724 7.9724 17.0542 17.0542 17.0577 17.0577 18.9621 18.9621 18.9681 18.9681 k = 0.5000 0.4295 0.3511 ( 1418 PWs) bands (ev): -14.3431 -14.3431 -14.3428 -14.3428 -11.5023 -11.5023 -11.5019 -11.5019 -2.4552 -2.4552 -2.4542 -2.4542 -0.0059 -0.0059 -0.0001 -0.0001 3.0589 3.0589 3.0704 3.0704 4.7074 4.7074 4.7114 4.7114 6.8905 6.8905 6.9024 6.9024 7.9635 7.9635 7.9713 7.9713 17.0101 17.0101 17.0134 17.0134 18.9731 18.9731 18.9791 18.9791 k = 0.5000 0.4295 0.3390 ( 1416 PWs) bands (ev): -14.3498 -14.3498 -14.3495 -14.3495 -11.4990 -11.4990 -11.4986 -11.4986 -2.4209 -2.4209 -2.4199 -2.4199 -0.0194 -0.0194 -0.0135 -0.0135 3.0813 3.0813 3.0927 3.0927 4.6969 4.6969 4.7005 4.7005 6.8519 6.8519 6.8637 6.8637 7.9625 7.9625 7.9703 7.9703 16.9674 16.9674 16.9706 16.9706 18.9816 18.9816 18.9877 18.9877 k = 0.5000 0.4295 0.3269 ( 1418 PWs) bands (ev): -14.3566 -14.3566 -14.3563 -14.3563 -11.4952 -11.4952 -11.4949 -11.4949 -2.3892 -2.3892 -2.3881 -2.3881 -0.0315 -0.0315 -0.0256 -0.0256 3.1051 3.1052 3.1163 3.1163 4.6881 4.6881 4.6914 4.6914 6.8117 6.8117 6.8235 6.8235 7.9616 7.9616 7.9693 7.9693 16.9262 16.9262 16.9293 16.9293 18.9876 18.9876 18.9936 18.9936 k = 0.5000 0.4295 0.3148 ( 1418 PWs) bands (ev): -14.3635 -14.3635 -14.3633 -14.3633 -11.4910 -11.4910 -11.4906 -11.4906 -2.3601 -2.3601 -2.3590 -2.3590 -0.0422 -0.0422 -0.0362 -0.0362 3.1302 3.1302 3.1412 3.1412 4.6810 4.6810 4.6839 4.6839 6.7699 6.7699 6.7816 6.7816 7.9607 7.9607 7.9683 7.9683 16.8868 16.8868 16.8898 16.8898 18.9907 18.9907 18.9967 18.9967 k = 0.5000 0.4295 0.3026 ( 1414 PWs) bands (ev): -14.3706 -14.3706 -14.3703 -14.3703 -11.4862 -11.4862 -11.4858 -11.4858 -2.3339 -2.3339 -2.3327 -2.3327 -0.0511 -0.0511 -0.0452 -0.0452 3.1566 3.1566 3.1673 3.1673 4.6758 4.6758 4.6783 4.6783 6.7265 6.7265 6.7382 6.7382 7.9599 7.9599 7.9673 7.9673 16.8493 16.8493 16.8522 16.8522 18.9909 18.9909 18.9968 18.9968 k = 0.5000 0.4295 0.2905 ( 1410 PWs) bands (ev): -14.3776 -14.3776 -14.3774 -14.3774 -11.4810 -11.4810 -11.4806 -11.4806 -2.3105 -2.3105 -2.3092 -2.3092 -0.0585 -0.0585 -0.0525 -0.0525 3.1841 3.1841 3.1946 3.1946 4.6723 4.6723 4.6745 4.6745 6.6816 6.6816 6.6932 6.6932 7.9591 7.9591 7.9664 7.9664 16.8138 16.8138 16.8166 16.8166 18.9881 18.9881 18.9939 18.9939 k = 0.5000 0.4295 0.2784 ( 1412 PWs) bands (ev): -14.3847 -14.3847 -14.3845 -14.3845 -11.4754 -11.4754 -11.4750 -11.4750 -2.2900 -2.2900 -2.2887 -2.2887 -0.0641 -0.0641 -0.0581 -0.0581 3.2127 3.2127 3.2230 3.2230 4.6707 4.6707 4.6726 4.6726 6.6351 6.6351 6.6467 6.6467 7.9584 7.9584 7.9655 7.9655 16.7803 16.7803 16.7830 16.7830 18.9822 18.9822 18.9878 18.9878 k = 0.5000 0.4295 0.2663 ( 1412 PWs) bands (ev): -14.3919 -14.3918 -14.3916 -14.3916 -11.4694 -11.4694 -11.4691 -11.4691 -2.2723 -2.2723 -2.2710 -2.2710 -0.0680 -0.0680 -0.0621 -0.0621 3.2424 3.2424 3.2523 3.2523 4.6710 4.6710 4.6726 4.6726 6.5871 6.5871 6.5987 6.5987 7.9576 7.9576 7.9645 7.9645 16.7490 16.7490 16.7515 16.7515 18.9731 18.9731 18.9786 18.9786 k = 0.5000 0.4295 0.2542 ( 1412 PWs) bands (ev): -14.3989 -14.3989 -14.3987 -14.3987 -11.4632 -11.4632 -11.4629 -11.4629 -2.2575 -2.2575 -2.2561 -2.2561 -0.0703 -0.0703 -0.0645 -0.0645 3.2729 3.2729 3.2825 3.2825 4.6732 4.6732 4.6746 4.6746 6.5377 6.5377 6.5492 6.5492 7.9569 7.9569 7.9636 7.9636 16.7200 16.7200 16.7223 16.7223 18.9609 18.9609 18.9662 18.9662 k = 0.5000 0.4295 0.2421 ( 1420 PWs) bands (ev): -14.4059 -14.4059 -14.4057 -14.4057 -11.4567 -11.4567 -11.4564 -11.4564 -2.2453 -2.2453 -2.2439 -2.2439 -0.0710 -0.0710 -0.0653 -0.0653 3.3041 3.3041 3.3134 3.3134 4.6773 4.6773 4.6789 4.6789 6.4869 6.4869 6.4983 6.4983 7.9562 7.9562 7.9627 7.9627 16.6932 16.6932 16.6954 16.6954 18.9456 18.9456 18.9506 18.9506 k = 0.5000 0.4295 0.2300 ( 1420 PWs) bands (ev): -14.4128 -14.4128 -14.4126 -14.4126 -11.4501 -11.4501 -11.4498 -11.4498 -2.2357 -2.2357 -2.2343 -2.2343 -0.0702 -0.0702 -0.0646 -0.0646 3.3359 3.3359 3.3449 3.3449 4.6834 4.6834 4.6853 4.6853 6.4347 6.4347 6.4460 6.4460 7.9555 7.9555 7.9618 7.9618 16.6687 16.6687 16.6708 16.6708 18.9274 18.9274 18.9322 18.9322 k = 0.5000 0.4295 0.2179 ( 1420 PWs) bands (ev): -14.4196 -14.4196 -14.4194 -14.4194 -11.4433 -11.4433 -11.4431 -11.4431 -2.2285 -2.2285 -2.2271 -2.2271 -0.0681 -0.0681 -0.0626 -0.0626 3.3680 3.3680 3.3766 3.3766 4.6917 4.6917 4.6941 4.6941 6.3811 6.3811 6.3924 6.3924 7.9549 7.9549 7.9609 7.9609 16.6465 16.6465 16.6485 16.6485 18.9065 18.9065 18.9110 18.9110 k = 0.5000 0.4295 0.2058 ( 1420 PWs) bands (ev): -14.4262 -14.4262 -14.4260 -14.4260 -11.4365 -11.4365 -11.4362 -11.4362 -2.2235 -2.2235 -2.2221 -2.2221 -0.0647 -0.0647 -0.0595 -0.0595 3.4003 3.4003 3.4085 3.4085 4.7023 4.7023 4.7052 4.7052 6.3263 6.3263 6.3376 6.3376 7.9543 7.9543 7.9600 7.9600 16.6266 16.6266 16.6284 16.6284 18.8831 18.8831 18.8873 18.8873 k = 0.5000 0.4295 0.1937 ( 1424 PWs) bands (ev): -14.4326 -14.4326 -14.4324 -14.4324 -11.4297 -11.4297 -11.4294 -11.4294 -2.2204 -2.2204 -2.2191 -2.2191 -0.0603 -0.0603 -0.0553 -0.0553 3.4325 3.4325 3.4403 3.4403 4.7154 4.7154 4.7188 4.7188 6.2704 6.2704 6.2815 6.2815 7.9537 7.9537 7.9591 7.9591 16.6088 16.6088 16.6106 16.6106 18.8576 18.8576 18.8614 18.8615 k = 0.5000 0.4295 0.1816 ( 1424 PWs) bands (ev): -14.4388 -14.4388 -14.4386 -14.4386 -11.4229 -11.4229 -11.4227 -11.4227 -2.2191 -2.2191 -2.2178 -2.2178 -0.0551 -0.0551 -0.0502 -0.0502 3.4644 3.4644 3.4718 3.4718 4.7309 4.7309 4.7349 4.7349 6.2133 6.2133 6.2244 6.2244 7.9531 7.9531 7.9583 7.9583 16.5933 16.5933 16.5950 16.5950 18.8302 18.8302 18.8338 18.8338 k = 0.5000 0.4295 0.1695 ( 1424 PWs) bands (ev): -14.4447 -14.4447 -14.4446 -14.4446 -11.4163 -11.4163 -11.4160 -11.4160 -2.2193 -2.2193 -2.2181 -2.2181 -0.0492 -0.0492 -0.0445 -0.0445 3.4956 3.4956 3.5026 3.5026 4.7492 4.7492 4.7538 4.7538 6.1551 6.1551 6.1662 6.1662 7.9526 7.9526 7.9574 7.9574 16.5799 16.5799 16.5814 16.5814 18.8015 18.8015 18.8048 18.8048 k = 0.5000 0.4295 0.1574 ( 1422 PWs) bands (ev): -14.4504 -14.4504 -14.4502 -14.4502 -11.4098 -11.4098 -11.4096 -11.4096 -2.2207 -2.2207 -2.2196 -2.2196 -0.0427 -0.0427 -0.0384 -0.0384 3.5260 3.5260 3.5325 3.5325 4.7702 4.7702 4.7754 4.7754 6.0961 6.0961 6.1071 6.1071 7.9521 7.9521 7.9566 7.9566 16.5685 16.5685 16.5699 16.5699 18.7719 18.7719 18.7750 18.7750 k = 0.5000 0.4295 0.1453 ( 1430 PWs) bands (ev): -14.4557 -14.4557 -14.4556 -14.4556 -11.4035 -11.4035 -11.4033 -11.4033 -2.2232 -2.2232 -2.2221 -2.2221 -0.0360 -0.0360 -0.0319 -0.0319 3.5552 3.5552 3.5612 3.5612 4.7941 4.7941 4.7999 4.7999 6.0362 6.0362 6.0472 6.0472 7.9515 7.9515 7.9558 7.9558 16.5589 16.5589 16.5602 16.5602 18.7419 18.7419 18.7446 18.7446 k = 0.5000 0.4295 0.1332 ( 1430 PWs) bands (ev): -14.4607 -14.4607 -14.4606 -14.4606 -11.3976 -11.3976 -11.3974 -11.3974 -2.2264 -2.2264 -2.2254 -2.2254 -0.0291 -0.0291 -0.0253 -0.0253 3.5830 3.5830 3.5885 3.5885 4.8210 4.8210 4.8274 4.8274 5.9756 5.9756 5.9865 5.9865 7.9511 7.9511 7.9550 7.9550 16.5510 16.5510 16.5522 16.5522 18.7119 18.7119 18.7143 18.7143 k = 0.5000 0.4295 0.1211 ( 1428 PWs) bands (ev): -14.4654 -14.4654 -14.4653 -14.4653 -11.3919 -11.3919 -11.3917 -11.3917 -2.2301 -2.2301 -2.2292 -2.2292 -0.0222 -0.0222 -0.0188 -0.0188 3.6091 3.6091 3.6142 3.6142 4.8509 4.8509 4.8579 4.8579 5.9144 5.9144 5.9253 5.9253 7.9507 7.9507 7.9543 7.9543 16.5447 16.5447 16.5458 16.5458 18.6824 18.6824 18.6846 18.6846 k = 0.5000 0.4295 0.1090 ( 1428 PWs) bands (ev): -14.4697 -14.4697 -14.4696 -14.4696 -11.3866 -11.3866 -11.3865 -11.3865 -2.2342 -2.2342 -2.2334 -2.2334 -0.0155 -0.0155 -0.0124 -0.0124 3.6333 3.6333 3.6379 3.6379 4.8840 4.8840 4.8915 4.8915 5.8527 5.8527 5.8636 5.8636 7.9503 7.9503 7.9536 7.9536 16.5398 16.5398 16.5408 16.5408 18.6540 18.6540 18.6559 18.6560 k = 0.5000 0.4295 0.0968 ( 1436 PWs) bands (ev): -14.4736 -14.4735 -14.4735 -14.4735 -11.3818 -11.3818 -11.3817 -11.3817 -2.2384 -2.2384 -2.2377 -2.2377 -0.0092 -0.0092 -0.0063 -0.0063 3.6554 3.6554 3.6595 3.6595 4.9200 4.9200 4.9280 4.9280 5.7907 5.7907 5.8016 5.8016 7.9500 7.9500 7.9529 7.9529 16.5361 16.5361 16.5370 16.5370 18.6271 18.6271 18.6288 18.6288 k = 0.5000 0.4295 0.0847 ( 1436 PWs) bands (ev): -14.4770 -14.4770 -14.4769 -14.4769 -11.3774 -11.3774 -11.3773 -11.3773 -2.2426 -2.2426 -2.2419 -2.2419 -0.0032 -0.0032 -0.0007 -0.0007 3.6753 3.6753 3.6789 3.6789 4.9591 4.9591 4.9676 4.9676 5.7287 5.7287 5.7395 5.7395 7.9497 7.9497 7.9523 7.9523 16.5335 16.5335 16.5342 16.5342 18.6021 18.6022 18.6036 18.6036 k = 0.5000 0.4295 0.0726 ( 1436 PWs) bands (ev): -14.4801 -14.4800 -14.4800 -14.4800 -11.3736 -11.3736 -11.3735 -11.3735 -2.2465 -2.2465 -2.2459 -2.2459 0.0021 0.0021 0.0043 0.0043 3.6928 3.6928 3.6958 3.6958 5.0011 5.0011 5.0100 5.0100 5.6666 5.6666 5.6774 5.6774 7.9495 7.9495 7.9517 7.9517 16.5316 16.5316 16.5323 16.5323 18.5796 18.5796 18.5808 18.5808 k = 0.5000 0.4295 0.0605 ( 1440 PWs) bands (ev): -14.4826 -14.4826 -14.4826 -14.4826 -11.3702 -11.3702 -11.3702 -11.3702 -2.2500 -2.2500 -2.2496 -2.2496 0.0069 0.0069 0.0087 0.0087 3.7077 3.7077 3.7103 3.7103 5.0460 5.0460 5.0552 5.0552 5.6048 5.6048 5.6155 5.6155 7.9493 7.9493 7.9512 7.9512 16.5305 16.5305 16.5310 16.5310 18.5597 18.5598 18.5608 18.5608 k = 0.5000 0.4295 0.0484 ( 1448 PWs) bands (ev): -14.4848 -14.4848 -14.4847 -14.4847 -11.3675 -11.3675 -11.3674 -11.3674 -2.2531 -2.2531 -2.2527 -2.2527 0.0109 0.0109 0.0123 0.0123 3.7201 3.7201 3.7221 3.7221 5.0934 5.0934 5.1029 5.1029 5.5433 5.5433 5.5540 5.5540 7.9492 7.9492 7.9507 7.9507 16.5297 16.5297 16.5302 16.5302 18.5430 18.5430 18.5438 18.5438 k = 0.5000 0.4295 0.0363 ( 1452 PWs) bands (ev): -14.4865 -14.4865 -14.4864 -14.4864 -11.3653 -11.3653 -11.3653 -11.3652 -2.2556 -2.2556 -2.2553 -2.2553 0.0141 0.0141 0.0152 0.0152 3.7298 3.7298 3.7313 3.7313 5.1434 5.1434 5.1531 5.1531 5.4825 5.4825 5.4932 5.4932 7.9492 7.9492 7.9503 7.9503 16.5294 16.5294 16.5297 16.5297 18.5297 18.5297 18.5303 18.5303 k = 0.5000 0.4295 0.0242 ( 1448 PWs) bands (ev): -14.4877 -14.4877 -14.4876 -14.4876 -11.3637 -11.3637 -11.3637 -11.3637 -2.2574 -2.2574 -2.2572 -2.2572 0.0165 0.0165 0.0173 0.0173 3.7368 3.7368 3.7378 3.7378 5.1955 5.1955 5.2055 5.2055 5.4226 5.4226 5.4332 5.4332 7.9492 7.9492 7.9499 7.9499 16.5292 16.5292 16.5294 16.5294 18.5201 18.5201 18.5205 18.5205 k = 0.5000 0.4295 0.0121 ( 1448 PWs) bands (ev): -14.4884 -14.4884 -14.4884 -14.4884 -11.3628 -11.3628 -11.3628 -11.3628 -2.2585 -2.2585 -2.2584 -2.2584 0.0181 0.0181 0.0184 0.0184 3.7411 3.7411 3.7417 3.7417 5.2497 5.2497 5.2598 5.2598 5.3639 5.3639 5.3743 5.3743 7.9493 7.9493 7.9496 7.9496 16.5292 16.5292 16.5293 16.5293 18.5143 18.5143 18.5145 18.5145 k = 0.5000 0.4295-0.0000 ( 1452 PWs) bands (ev): -14.4886 -14.4886 -14.4886 -14.4886 -11.3625 -11.3625 -11.3625 -11.3625 -2.2588 -2.2588 -2.2588 -2.2588 0.0187 0.0187 0.0187 0.0187 3.7428 3.7428 3.7428 3.7428 5.3033 5.3033 5.3033 5.3033 5.3190 5.3190 5.3190 5.3190 7.9494 7.9494 7.9494 7.9494 16.5292 16.5292 16.5292 16.5292 18.5124 18.5124 18.5124 18.5124 k = 0.0000 0.0000 0.7673 ( 1398 PWs) bands (ev): -14.2545 -14.2545 -14.2542 -14.2542 -11.3963 -11.3963 -11.3961 -11.3961 -3.6535 -3.6535 -3.6522 -3.6522 0.4203 0.4203 0.4232 0.4232 2.8225 2.8225 2.8338 2.8338 5.4570 5.4570 5.4610 5.4610 7.3710 7.3710 7.3745 7.3745 8.0079 8.0079 8.0098 8.0098 17.8533 17.8533 17.8543 17.8543 18.5429 18.5429 18.5467 18.5467 k = 0.0093 0.0080 0.7673 ( 1398 PWs) bands (ev): -14.2545 -14.2545 -14.2542 -14.2541 -11.3965 -11.3964 -11.3963 -11.3963 -3.6526 -3.6526 -3.6512 -3.6511 0.4172 0.4173 0.4199 0.4205 2.8241 2.8255 2.8360 2.8362 5.4575 5.4577 5.4612 5.4620 7.3711 7.3711 7.3746 7.3747 8.0070 8.0071 8.0088 8.0089 17.8532 17.8532 17.8541 17.8543 18.5403 18.5410 18.5443 18.5446 k = 0.0185 0.0159 0.7673 ( 1398 PWs) bands (ev): -14.2544 -14.2544 -14.2540 -14.2540 -11.3969 -11.3968 -11.3967 -11.3967 -3.6496 -3.6496 -3.6482 -3.6482 0.4081 0.4081 0.4104 0.4116 2.8304 2.8332 2.8429 2.8433 5.4591 5.4596 5.4626 5.4642 7.3714 7.3714 7.3747 7.3751 8.0043 8.0047 8.0062 8.0064 17.8529 17.8530 17.8538 17.8541 18.5334 18.5347 18.5374 18.5381 k = 0.0278 0.0239 0.7673 ( 1398 PWs) bands (ev): -14.2542 -14.2542 -14.2539 -14.2538 -11.3975 -11.3975 -11.3973 -11.3973 -3.6446 -3.6446 -3.6433 -3.6432 0.3930 0.3931 0.3950 0.3968 2.8412 2.8454 2.8543 2.8548 5.4619 5.4627 5.4651 5.4675 7.3718 7.3718 7.3751 7.3756 8.0000 8.0005 8.0019 8.0022 17.8524 17.8525 17.8532 17.8537 18.5225 18.5244 18.5264 18.5274 k = 0.0370 0.0318 0.7673 ( 1394 PWs) bands (ev): -14.2539 -14.2539 -14.2536 -14.2535 -11.3984 -11.3984 -11.3982 -11.3982 -3.6378 -3.6378 -3.6365 -3.6364 0.3724 0.3725 0.3741 0.3764 2.8561 2.8617 2.8698 2.8705 5.4659 5.4669 5.4688 5.4720 7.3724 7.3724 7.3757 7.3764 7.9940 7.9947 7.9959 7.9963 17.8517 17.8518 17.8524 17.8532 18.5079 18.5105 18.5118 18.5131 k = 0.0463 0.0398 0.7673 ( 1396 PWs) bands (ev): -14.2536 -14.2536 -14.2533 -14.2532 -11.3996 -11.3995 -11.3994 -11.3993 -3.6291 -3.6291 -3.6278 -3.6277 0.3466 0.3468 0.3480 0.3508 2.8749 2.8818 2.8890 2.8899 5.4709 5.4723 5.4736 5.4776 7.3731 7.3732 7.3765 7.3773 7.9865 7.9873 7.9882 7.9888 17.8509 17.8511 17.8516 17.8525 18.4904 18.4934 18.4940 18.4956 k = 0.0556 0.0477 0.7673 ( 1396 PWs) bands (ev): -14.2532 -14.2531 -14.2529 -14.2528 -11.4009 -11.4009 -11.4007 -11.4007 -3.6187 -3.6186 -3.6174 -3.6172 0.3162 0.3165 0.3174 0.3206 2.8969 2.9050 2.9116 2.9126 5.4771 5.4787 5.4795 5.4843 7.3741 7.3742 7.3774 7.3785 7.9773 7.9783 7.9790 7.9797 17.8501 17.8503 17.8508 17.8518 18.4703 18.4737 18.4737 18.4756 k = 0.0648 0.0557 0.7673 ( 1396 PWs) bands (ev): -14.2527 -14.2527 -14.2524 -14.2523 -11.4025 -11.4024 -11.4023 -11.4023 -3.6065 -3.6065 -3.6053 -3.6051 0.2817 0.2820 0.2826 0.2862 2.9218 2.9311 2.9369 2.9380 5.4843 5.4862 5.4865 5.4921 7.3753 7.3754 7.3786 7.3799 7.9667 7.9678 7.9683 7.9691 17.8493 17.8495 17.8499 17.8511 18.4483 18.4514 18.4521 18.4535 k = 0.0741 0.0636 0.7673 ( 1390 PWs) bands (ev): -14.2522 -14.2521 -14.2519 -14.2518 -11.4043 -11.4041 -11.4040 -11.4040 -3.5929 -3.5928 -3.5916 -3.5914 0.2438 0.2441 0.2445 0.2484 2.9489 2.9593 2.9644 2.9657 5.4925 5.4945 5.4947 5.5008 7.3767 7.3769 7.3801 7.3816 7.9547 7.9560 7.9561 7.9571 17.8485 17.8488 17.8491 17.8505 18.4248 18.4277 18.4289 18.4300 k = 0.0833 0.0716 0.7673 ( 1390 PWs) bands (ev): -14.2516 -14.2516 -14.2513 -14.2512 -11.4062 -11.4060 -11.4059 -11.4059 -3.5778 -3.5777 -3.5765 -3.5763 0.2030 0.2034 0.2035 0.2077 2.9777 2.9893 2.9937 2.9951 5.5017 5.5034 5.5041 5.5105 7.3784 7.3786 7.3818 7.3836 7.9413 7.9426 7.9428 7.9438 17.8479 17.8482 17.8484 17.8499 18.4002 18.4028 18.4046 18.4053 k = 0.0926 0.0795 0.7673 ( 1386 PWs) bands (ev): -14.2510 -14.2509 -14.2507 -14.2506 -11.4082 -11.4081 -11.4080 -11.4080 -3.5614 -3.5614 -3.5602 -3.5600 0.1600 0.1603 0.1604 0.1647 3.0078 3.0203 3.0241 3.0256 5.5116 5.5131 5.5144 5.5209 7.3803 7.3806 7.3838 7.3859 7.9267 7.9278 7.9284 7.9292 17.8475 17.8479 17.8480 17.8497 18.3750 18.3773 18.3796 18.3800 k = 0.1019 0.0875 0.7673 ( 1394 PWs) bands (ev): -14.2504 -14.2503 -14.2501 -14.2500 -11.4104 -11.4102 -11.4101 -11.4101 -3.5440 -3.5440 -3.5428 -3.5425 0.1153 0.1155 0.1158 0.1201 3.0385 3.0520 3.0551 3.0568 5.5223 5.5236 5.5254 5.5321 7.3825 7.3828 7.3860 7.3885 7.9111 7.9119 7.9128 7.9136 17.8473 17.8478 17.8478 17.8496 18.3493 18.3513 18.3540 18.3542 k = 0.1111 0.0954 0.7673 ( 1398 PWs) bands (ev): -14.2497 -14.2496 -14.2494 -14.2493 -11.4126 -11.4124 -11.4123 -11.4123 -3.5257 -3.5257 -3.5246 -3.5243 0.0697 0.0697 0.0701 0.0745 3.0694 3.0838 3.0864 3.0882 5.5337 5.5347 5.5370 5.5440 7.3850 7.3854 7.3886 7.3914 7.8944 7.8949 7.8964 7.8969 17.8475 17.8480 17.8480 17.8499 18.3236 18.3253 18.3283 18.3284 k = 0.1204 0.1034 0.7673 ( 1402 PWs) bands (ev): -14.2491 -14.2490 -14.2488 -14.2486 -11.4148 -11.4147 -11.4146 -11.4146 -3.5067 -3.5067 -3.5056 -3.5053 0.0235 0.0236 0.0241 0.0285 3.1001 3.1153 3.1174 3.1193 5.5455 5.5464 5.5491 5.5563 7.3878 7.3883 7.3915 7.3947 7.8770 7.8772 7.8791 7.8795 17.8482 17.8486 17.8487 17.8507 18.2980 18.2993 18.3026 18.3029 k = 0.1296 0.1114 0.7673 ( 1400 PWs) bands (ev): -14.2484 -14.2483 -14.2481 -14.2479 -11.4171 -11.4169 -11.4168 -11.4168 -3.4873 -3.4872 -3.4862 -3.4859 -0.0226 -0.0224 -0.0218 -0.0175 3.1302 3.1462 3.1477 3.1498 5.5577 5.5584 5.5616 5.5689 7.3910 7.3916 7.3948 7.3985 7.8587 7.8589 7.8612 7.8614 17.8493 17.8497 17.8499 17.8519 18.2727 18.2738 18.2772 18.2778 k = 0.1389 0.1193 0.7673 ( 1400 PWs) bands (ev): -14.2477 -14.2476 -14.2474 -14.2472 -11.4194 -11.4192 -11.4191 -11.4191 -3.4677 -3.4676 -3.4667 -3.4663 -0.0679 -0.0676 -0.0670 -0.0627 3.1593 3.1760 3.1771 3.1792 5.5702 5.5707 5.5744 5.5818 7.3946 7.3952 7.3984 7.4027 7.8397 7.8404 7.8428 7.8429 17.8510 17.8514 17.8517 17.8537 18.2479 18.2487 18.2523 18.2531 k = 0.1481 0.1273 0.7673 ( 1406 PWs) bands (ev): -14.2471 -14.2469 -14.2468 -14.2466 -11.4216 -11.4214 -11.4213 -11.4213 -3.4482 -3.4481 -3.4472 -3.4467 -0.1119 -0.1116 -0.1110 -0.1067 3.1870 3.2044 3.2051 3.2073 5.5826 5.5830 5.5871 5.5946 7.3985 7.3992 7.4023 7.4073 7.8203 7.8216 7.8240 7.8241 17.8532 17.8536 17.8540 17.8561 18.2237 18.2243 18.2280 18.2290 k = 0.1574 0.1352 0.7673 ( 1404 PWs) bands (ev): -14.2464 -14.2463 -14.2461 -14.2459 -11.4237 -11.4235 -11.4235 -11.4234 -3.4290 -3.4288 -3.4280 -3.4275 -0.1542 -0.1539 -0.1532 -0.1489 3.2132 3.2312 3.2315 3.2338 5.5949 5.5952 5.5997 5.6073 7.4027 7.4036 7.4067 7.4123 7.8009 7.8028 7.8052 7.8054 17.8561 17.8564 17.8570 17.8590 18.2003 18.2006 18.2045 18.2057 k = 0.1667 0.1432 0.7673 ( 1404 PWs) bands (ev): -14.2458 -14.2456 -14.2455 -14.2453 -11.4258 -11.4255 -11.4255 -11.4255 -3.4104 -3.4103 -3.4095 -3.4090 -0.1942 -0.1939 -0.1932 -0.1889 3.2375 3.2560 3.2561 3.2584 5.6069 5.6071 5.6119 5.6197 7.4073 7.4083 7.4113 7.4177 7.7816 7.7842 7.7865 7.7869 17.8595 17.8599 17.8606 17.8626 18.1778 18.1779 18.1820 18.1833 k = 0.1759 0.1511 0.7673 ( 1408 PWs) bands (ev): -14.2452 -14.2451 -14.2450 -14.2447 -11.4277 -11.4274 -11.4274 -11.4274 -3.3928 -3.3926 -3.3919 -3.3913 -0.2315 -0.2311 -0.2304 -0.2261 3.2598 3.2784 3.2789 3.2809 5.6183 5.6184 5.6236 5.6314 7.4121 7.4134 7.4162 7.4235 7.7626 7.7660 7.7683 7.7688 17.8635 17.8639 17.8648 17.8668 18.1563 18.1564 18.1606 18.1620 k = 0.1852 0.1591 0.7673 ( 1408 PWs) bands (ev): -14.2447 -14.2445 -14.2444 -14.2442 -11.4294 -11.4292 -11.4291 -11.4291 -3.3764 -3.3761 -3.3755 -3.3749 -0.2656 -0.2652 -0.2645 -0.2602 3.2798 3.2986 3.2994 3.3011 5.6290 5.6291 5.6345 5.6424 7.4172 7.4186 7.4213 7.4296 7.7443 7.7486 7.7509 7.7515 17.8680 17.8684 17.8696 17.8714 18.1360 18.1362 18.1405 18.1421 k = 0.1944 0.1670 0.7673 ( 1404 PWs) bands (ev): -14.2442 -14.2440 -14.2440 -14.2437 -11.4309 -11.4307 -11.4307 -11.4307 -3.3614 -3.3612 -3.3606 -3.3600 -0.2961 -0.2957 -0.2950 -0.2907 3.2975 3.3164 3.3175 3.3189 5.6388 5.6388 5.6445 5.6524 7.4224 7.4240 7.4265 7.4358 7.7270 7.7323 7.7345 7.7352 17.8729 17.8733 17.8748 17.8765 18.1171 18.1175 18.1219 18.1236 k = 0.2037 0.1750 0.7673 ( 1404 PWs) bands (ev): -14.2438 -14.2436 -14.2436 -14.2433 -11.4323 -11.4321 -11.4320 -11.4320 -3.3483 -3.3480 -3.3475 -3.3468 -0.3226 -0.3223 -0.3215 -0.3172 3.3126 3.3317 3.3330 3.3341 5.6473 5.6474 5.6533 5.6612 7.4274 7.4292 7.4315 7.4420 7.7111 7.7174 7.7197 7.7203 17.8780 17.8784 17.8802 17.8818 18.1000 18.1005 18.1051 18.1069 k = 0.2130 0.1829 0.7673 ( 1404 PWs) bands (ev): -14.2435 -14.2433 -14.2432 -14.2430 -11.4334 -11.4332 -11.4332 -11.4332 -3.3371 -3.3368 -3.3364 -3.3357 -0.3447 -0.3445 -0.3436 -0.3394 3.3251 3.3442 3.3458 3.3467 5.6546 5.6547 5.6608 5.6687 7.4321 7.4342 7.4361 7.4479 7.6970 7.7043 7.7066 7.7073 17.8830 17.8834 17.8857 17.8871 18.0850 18.0855 18.0903 18.0922 k = 0.2222 0.1909 0.7673 ( 1404 PWs) bands (ev): -14.2432 -14.2430 -14.2430 -14.2427 -11.4343 -11.4341 -11.4341 -11.4340 -3.3282 -3.3278 -3.3275 -3.3268 -0.3623 -0.3621 -0.3612 -0.3570 3.3349 3.3541 3.3559 3.3566 5.6605 5.6605 5.6668 5.6747 7.4363 7.4387 7.4402 7.4532 7.6851 7.6936 7.6959 7.6965 17.8877 17.8881 17.8908 17.8919 18.0725 18.0729 18.0781 18.0801 k = 0.2315 0.1988 0.7673 ( 1396 PWs) bands (ev): -14.2430 -14.2428 -14.2428 -14.2425 -11.4350 -11.4347 -11.4347 -11.4347 -3.3217 -3.3212 -3.3211 -3.3203 -0.3750 -0.3748 -0.3739 -0.3697 3.3420 3.3612 3.3632 3.3636 5.6648 5.6648 5.6712 5.6791 7.4396 7.4422 7.4433 7.4574 7.6762 7.6855 7.6879 7.6883 17.8915 17.8920 17.8951 17.8959 18.0630 18.0634 18.0688 18.0709 k = 0.2407 0.2068 0.7673 ( 1392 PWs) bands (ev): -14.2429 -14.2427 -14.2426 -14.2424 -11.4354 -11.4351 -11.4351 -11.4351 -3.3177 -3.3172 -3.3171 -3.3163 -0.3826 -0.3826 -0.3816 -0.3774 3.3462 3.3655 3.3676 3.3678 5.6674 5.6674 5.6738 5.6818 7.4417 7.4447 7.4452 7.4602 7.6705 7.6805 7.6829 7.6831 17.8940 17.8945 17.8980 17.8985 18.0571 18.0573 18.0630 18.0651 k = 0.2500 0.2147 0.7673 ( 1392 PWs) bands (ev): -14.2428 -14.2426 -14.2426 -14.2423 -11.4355 -11.4352 -11.4352 -11.4352 -3.3164 -3.3159 -3.3159 -3.3150 -0.3852 -0.3852 -0.3842 -0.3800 3.3476 3.3669 3.3691 3.3692 5.6682 5.6683 5.6747 5.6827 7.4424 7.4457 7.4457 7.4611 7.6686 7.6788 7.6813 7.6813 17.8949 17.8954 17.8992 17.8992 18.0551 18.0551 18.0610 18.0631 Writing output data file CO2.save init_run : 0.33s CPU 0.91s WALL ( 1 calls) electrons : 268.86s CPU 271.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.23s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 268.85s CPU 271.90s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 444 calls) cegterg : 256.57s CPU 259.23s WALL ( 1003 calls) Called by sum_band: Called by *egterg: h_psi : 161.28s CPU 169.91s WALL ( 17540 calls) s_psi : 4.66s CPU 4.95s WALL ( 17540 calls) g_psi : 0.13s CPU 0.19s WALL ( 16093 calls) cdiaghg : 79.75s CPU 76.06s WALL ( 16537 calls) cegterg:over : 8.20s CPU 7.88s WALL ( 16093 calls) cegterg:upda : 1.09s CPU 2.56s WALL ( 16093 calls) cegterg:last : 1.03s CPU 1.95s WALL ( 2921 calls) Called by h_psi: h_psi:vloc : 154.22s CPU 161.45s WALL ( 17540 calls) h_psi:vnl : 7.03s CPU 8.31s WALL ( 17540 calls) add_vuspsi : 2.95s CPU 3.39s WALL ( 17540 calls) General routines calbec : 4.05s CPU 4.88s WALL ( 17540 calls) fft : 0.03s CPU 0.07s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 150.43s CPU 155.17s WALL ( 1394476 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.02s CPU 0.12s WALL ( 888 calls) Parallel routines fft_scatter : 119.90s CPU 107.28s WALL ( 1394499 calls) PWSCF : 4m48.45s CPU 5m11.71s WALL This run was terminated on: 13:19: 1 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=