Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:27:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li3AlH6.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 101 101 27 4641 4641 667 Max 102 102 28 4646 4646 673 Sum 3671 3671 1005 167211 167211 24165 bravais-lattice index = 14 lattice parameter (alat) = 10.5820 a.u. unit-cell volume = 1183.8350 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.581976 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.024844 celldm(5)= -0.024844 celldm(6)= -0.024844 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.024844 0.999691 0.000000 ) a(3) = ( -0.024844 -0.025469 0.999367 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.024852 0.025493 ) b(2) = ( 0.000000 1.000309 0.025493 ) b(3) = ( 0.000000 0.000000 1.000634 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0101642 -0.0104199 0.0101577), wk = 0.0032154 k( 3) = ( 0.0203283 -0.0208398 0.0203154), wk = 0.0032154 k( 4) = ( 0.0304924 -0.0312596 0.0304731), wk = 0.0032154 k( 5) = ( 0.0406566 -0.0416795 0.0406308), wk = 0.0032154 k( 6) = ( 0.0508207 -0.0520994 0.0507886), wk = 0.0032154 k( 7) = ( 0.0609849 -0.0625193 0.0609463), wk = 0.0032154 k( 8) = ( 0.0711490 -0.0729392 0.0711040), wk = 0.0032154 k( 9) = ( 0.0813132 -0.0833591 0.0812617), wk = 0.0032154 k( 10) = ( 0.0914773 -0.0937789 0.0914194), wk = 0.0032154 k( 11) = ( 0.1016415 -0.1041988 0.1015771), wk = 0.0032154 k( 12) = ( 0.1118056 -0.1146187 0.1117348), wk = 0.0032154 k( 13) = ( 0.1219698 -0.1250386 0.1218925), wk = 0.0032154 k( 14) = ( 0.1321339 -0.1354585 0.1320502), wk = 0.0032154 k( 15) = ( 0.1422980 -0.1458784 0.1422079), wk = 0.0032154 k( 16) = ( 0.1524622 -0.1562982 0.1523656), wk = 0.0032154 k( 17) = ( 0.1626263 -0.1667181 0.1625234), wk = 0.0032154 k( 18) = ( 0.1727905 -0.1771380 0.1726811), wk = 0.0032154 k( 19) = ( 0.1829546 -0.1875579 0.1828388), wk = 0.0032154 k( 20) = ( 0.1931188 -0.1979778 0.1929965), wk = 0.0032154 k( 21) = ( 0.2032829 -0.2083977 0.2031542), wk = 0.0032154 k( 22) = ( 0.2134471 -0.2188175 0.2133119), wk = 0.0032154 k( 23) = ( 0.2236112 -0.2292374 0.2234696), wk = 0.0032154 k( 24) = ( 0.2337753 -0.2396573 0.2336273), wk = 0.0032154 k( 25) = ( 0.2439395 -0.2500772 0.2437850), wk = 0.0032154 k( 26) = ( 0.2541036 -0.2604971 0.2539428), wk = 0.0032154 k( 27) = ( 0.2642678 -0.2709170 0.2641005), wk = 0.0032154 k( 28) = ( 0.2744319 -0.2813368 0.2742582), wk = 0.0032154 k( 29) = ( 0.2845961 -0.2917567 0.2844159), wk = 0.0032154 k( 30) = ( 0.2947602 -0.3021766 0.2945736), wk = 0.0032154 k( 31) = ( 0.3049244 -0.3125965 0.3047313), wk = 0.0032154 k( 32) = ( 0.3150885 -0.3230164 0.3148890), wk = 0.0032154 k( 33) = ( 0.3252527 -0.3334363 0.3250467), wk = 0.0032154 k( 34) = ( 0.3354168 -0.3438561 0.3352044), wk = 0.0032154 k( 35) = ( 0.3455809 -0.3542760 0.3453621), wk = 0.0032154 k( 36) = ( 0.3557451 -0.3646959 0.3555198), wk = 0.0032154 k( 37) = ( 0.3659092 -0.3751158 0.3656776), wk = 0.0032154 k( 38) = ( 0.3760734 -0.3855357 0.3758353), wk = 0.0032154 k( 39) = ( 0.3862375 -0.3959556 0.3859930), wk = 0.0032154 k( 40) = ( 0.3964017 -0.4063754 0.3961507), wk = 0.0032154 k( 41) = ( 0.4065658 -0.4167953 0.4063084), wk = 0.0032154 k( 42) = ( 0.4167300 -0.4272152 0.4164661), wk = 0.0032154 k( 43) = ( 0.4268941 -0.4376351 0.4266238), wk = 0.0032154 k( 44) = ( 0.4370583 -0.4480550 0.4367815), wk = 0.0032154 k( 45) = ( 0.4472224 -0.4584748 0.4469392), wk = 0.0032154 k( 46) = ( 0.4573866 -0.4688947 0.4570969), wk = 0.0032154 k( 47) = ( 0.4675507 -0.4793146 0.4672547), wk = 0.0032154 k( 48) = ( 0.4777148 -0.4897345 0.4774124), wk = 0.0032154 k( 49) = ( 0.4878790 -0.5001544 0.4875701), wk = 0.0032154 k( 50) = ( 0.4878790 -0.5001544 0.4875701), wk = 0.0032154 k( 51) = ( 0.4939395 -0.4939414 0.4939434), wk = 0.0032154 k( 52) = ( 0.5000000 -0.4877284 0.5003168), wk = 0.0032154 k( 53) = ( 0.5000000 -0.4877284 0.5003168), wk = 0.0032154 k( 54) = ( 0.4995592 -0.4699928 0.5003168), wk = 0.0032154 k( 55) = ( 0.4991185 -0.4522572 0.5003168), wk = 0.0032154 k( 56) = ( 0.4986777 -0.4345217 0.5003168), wk = 0.0032154 k( 57) = ( 0.4982369 -0.4167861 0.5003168), wk = 0.0032154 k( 58) = ( 0.4977962 -0.3990505 0.5003168), wk = 0.0032154 k( 59) = ( 0.4973554 -0.3813149 0.5003168), wk = 0.0032154 k( 60) = ( 0.4969147 -0.3635793 0.5003168), wk = 0.0032154 k( 61) = ( 0.4964739 -0.3458438 0.5003168), wk = 0.0032154 k( 62) = ( 0.4960331 -0.3281082 0.5003168), wk = 0.0032154 k( 63) = ( 0.4955924 -0.3103726 0.5003168), wk = 0.0032154 k( 64) = ( 0.4951516 -0.2926370 0.5003168), wk = 0.0032154 k( 65) = ( 0.4947108 -0.2749015 0.5003168), wk = 0.0032154 k( 66) = ( 0.4942701 -0.2571659 0.5003168), wk = 0.0032154 k( 67) = ( 0.4938293 -0.2394303 0.5003168), wk = 0.0032154 k( 68) = ( 0.4933885 -0.2216947 0.5003168), wk = 0.0032154 k( 69) = ( 0.4929478 -0.2039591 0.5003168), wk = 0.0032154 k( 70) = ( 0.4925070 -0.1862236 0.5003168), wk = 0.0032154 k( 71) = ( 0.4920662 -0.1684880 0.5003168), wk = 0.0032154 k( 72) = ( 0.4916255 -0.1507524 0.5003168), wk = 0.0032154 k( 73) = ( 0.4911847 -0.1330168 0.5003168), wk = 0.0032154 k( 74) = ( 0.4907439 -0.1152813 0.5003168), wk = 0.0032154 k( 75) = ( 0.4903032 -0.0975457 0.5003168), wk = 0.0032154 k( 76) = ( 0.4898624 -0.0798101 0.5003168), wk = 0.0032154 k( 77) = ( 0.4894217 -0.0620745 0.5003168), wk = 0.0032154 k( 78) = ( 0.4889809 -0.0443389 0.5003168), wk = 0.0032154 k( 79) = ( 0.4885401 -0.0266034 0.5003168), wk = 0.0032154 k( 80) = ( 0.4880994 -0.0088678 0.5003168), wk = 0.0032154 k( 81) = ( 0.4876586 0.0088678 0.5003168), wk = 0.0032154 k( 82) = ( 0.4872178 0.0266034 0.5003168), wk = 0.0032154 k( 83) = ( 0.4867771 0.0443389 0.5003168), wk = 0.0032154 k( 84) = ( 0.4863363 0.0620745 0.5003168), wk = 0.0032154 k( 85) = ( 0.4858956 0.0798101 0.5003168), wk = 0.0032154 k( 86) = ( 0.4854548 0.0975457 0.5003168), wk = 0.0032154 k( 87) = ( 0.4850140 0.1152813 0.5003168), wk = 0.0032154 k( 88) = ( 0.4845733 0.1330168 0.5003168), wk = 0.0032154 k( 89) = ( 0.4841325 0.1507524 0.5003168), wk = 0.0032154 k( 90) = ( 0.4836917 0.1684880 0.5003168), wk = 0.0032154 k( 91) = ( 0.4832510 0.1862236 0.5003168), wk = 0.0032154 k( 92) = ( 0.4828102 0.2039592 0.5003168), wk = 0.0032154 k( 93) = ( 0.4823694 0.2216947 0.5003168), wk = 0.0032154 k( 94) = ( 0.4819287 0.2394303 0.5003168), wk = 0.0032154 k( 95) = ( 0.4814879 0.2571659 0.5003168), wk = 0.0032154 k( 96) = ( 0.4810471 0.2749015 0.5003168), wk = 0.0032154 k( 97) = ( 0.4806064 0.2926370 0.5003168), wk = 0.0032154 k( 98) = ( 0.4801656 0.3103726 0.5003168), wk = 0.0032154 k( 99) = ( 0.4797248 0.3281082 0.5003168), wk = 0.0032154 k( 100) = ( 0.4792841 0.3458438 0.5003168), wk = 0.0032154 k( 101) = ( 0.4788433 0.3635793 0.5003168), wk = 0.0032154 k( 102) = ( 0.4784025 0.3813149 0.5003168), wk = 0.0032154 k( 103) = ( 0.4779618 0.3990505 0.5003168), wk = 0.0032154 k( 104) = ( 0.4775210 0.4167861 0.5003168), wk = 0.0032154 k( 105) = ( 0.4770803 0.4345217 0.5003168), wk = 0.0032154 k( 106) = ( 0.4766395 0.4522572 0.5003168), wk = 0.0032154 k( 107) = ( 0.4761987 0.4699928 0.5003168), wk = 0.0032154 k( 108) = ( 0.4757580 0.4877284 0.5003168), wk = 0.0032154 k( 109) = ( 0.4757580 0.4877284 0.5003168), wk = 0.0032154 k( 110) = ( 0.4658464 0.4775674 0.4898935), wk = 0.0032154 k( 111) = ( 0.4559347 0.4674064 0.4794702), wk = 0.0032154 k( 112) = ( 0.4460231 0.4572454 0.4690470), wk = 0.0032154 k( 113) = ( 0.4361115 0.4470844 0.4586237), wk = 0.0032154 k( 114) = ( 0.4261998 0.4369234 0.4482005), wk = 0.0032154 k( 115) = ( 0.4162882 0.4267623 0.4377772), wk = 0.0032154 k( 116) = ( 0.4063766 0.4166013 0.4273539), wk = 0.0032154 k( 117) = ( 0.3964650 0.4064403 0.4169306), wk = 0.0032154 k( 118) = ( 0.3865534 0.3962793 0.4065074), wk = 0.0032154 k( 119) = ( 0.3766417 0.3861183 0.3960841), wk = 0.0032154 k( 120) = ( 0.3667301 0.3759573 0.3856609), wk = 0.0032154 k( 121) = ( 0.3568185 0.3657963 0.3752376), wk = 0.0032154 k( 122) = ( 0.3469068 0.3556353 0.3648143), wk = 0.0032154 k( 123) = ( 0.3369952 0.3454743 0.3543911), wk = 0.0032154 k( 124) = ( 0.3270836 0.3353133 0.3439678), wk = 0.0032154 k( 125) = ( 0.3171720 0.3251523 0.3335445), wk = 0.0032154 k( 126) = ( 0.3072604 0.3149913 0.3231213), wk = 0.0032154 k( 127) = ( 0.2973487 0.3048302 0.3126980), wk = 0.0032154 k( 128) = ( 0.2874371 0.2946692 0.3022747), wk = 0.0032154 k( 129) = ( 0.2775255 0.2845082 0.2918515), wk = 0.0032154 k( 130) = ( 0.2676139 0.2743472 0.2814282), wk = 0.0032154 k( 131) = ( 0.2577022 0.2641862 0.2710049), wk = 0.0032154 k( 132) = ( 0.2477906 0.2540252 0.2605817), wk = 0.0032154 k( 133) = ( 0.2378790 0.2438642 0.2501584), wk = 0.0032154 k( 134) = ( 0.2279674 0.2337032 0.2397351), wk = 0.0032154 k( 135) = ( 0.2180557 0.2235422 0.2293119), wk = 0.0032154 k( 136) = ( 0.2081441 0.2133812 0.2188886), wk = 0.0032154 k( 137) = ( 0.1982325 0.2032202 0.2084653), wk = 0.0032154 k( 138) = ( 0.1883209 0.1930592 0.1980421), wk = 0.0032154 k( 139) = ( 0.1784092 0.1828981 0.1876188), wk = 0.0032154 k( 140) = ( 0.1684976 0.1727371 0.1771955), wk = 0.0032154 k( 141) = ( 0.1585860 0.1625761 0.1667723), wk = 0.0032154 k( 142) = ( 0.1486744 0.1524151 0.1563490), wk = 0.0032154 k( 143) = ( 0.1387627 0.1422541 0.1459257), wk = 0.0032154 k( 144) = ( 0.1288511 0.1320931 0.1355025), wk = 0.0032154 k( 145) = ( 0.1189395 0.1219321 0.1250792), wk = 0.0032154 k( 146) = ( 0.1090279 0.1117711 0.1146559), wk = 0.0032154 k( 147) = ( 0.0991162 0.1016101 0.1042327), wk = 0.0032154 k( 148) = ( 0.0892046 0.0914491 0.0938094), wk = 0.0032154 k( 149) = ( 0.0792930 0.0812881 0.0833861), wk = 0.0032154 k( 150) = ( 0.0693814 0.0711271 0.0729629), wk = 0.0032154 k( 151) = ( 0.0594698 0.0609661 0.0625396), wk = 0.0032154 k( 152) = ( 0.0495581 0.0508050 0.0521163), wk = 0.0032154 k( 153) = ( 0.0396465 0.0406440 0.0416931), wk = 0.0032154 k( 154) = ( 0.0297349 0.0304830 0.0312698), wk = 0.0032154 k( 155) = ( 0.0198233 0.0203220 0.0208465), wk = 0.0032154 k( 156) = ( 0.0099116 0.0101610 0.0104233), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 159) = ( 0.0125000 -0.0121932 -0.0000000), wk = 0.0032154 k( 160) = ( 0.0250000 -0.0243864 -0.0000000), wk = 0.0032154 k( 161) = ( 0.0375000 -0.0365796 -0.0000000), wk = 0.0032154 k( 162) = ( 0.0500000 -0.0487728 -0.0000000), wk = 0.0032154 k( 163) = ( 0.0625000 -0.0609660 -0.0000000), wk = 0.0032154 k( 164) = ( 0.0750000 -0.0731593 -0.0000000), wk = 0.0032154 k( 165) = ( 0.0875000 -0.0853525 -0.0000000), wk = 0.0032154 k( 166) = ( 0.1000000 -0.0975457 -0.0000000), wk = 0.0032154 k( 167) = ( 0.1125000 -0.1097389 -0.0000000), wk = 0.0032154 k( 168) = ( 0.1250000 -0.1219321 -0.0000000), wk = 0.0032154 k( 169) = ( 0.1375000 -0.1341253 -0.0000000), wk = 0.0032154 k( 170) = ( 0.1500000 -0.1463185 -0.0000000), wk = 0.0032154 k( 171) = ( 0.1625000 -0.1585117 -0.0000000), wk = 0.0032154 k( 172) = ( 0.1750000 -0.1707049 -0.0000000), wk = 0.0032154 k( 173) = ( 0.1875000 -0.1828981 -0.0000000), wk = 0.0032154 k( 174) = ( 0.2000000 -0.1950914 -0.0000000), wk = 0.0032154 k( 175) = ( 0.2125000 -0.2072846 -0.0000000), wk = 0.0032154 k( 176) = ( 0.2250000 -0.2194778 -0.0000000), wk = 0.0032154 k( 177) = ( 0.2375000 -0.2316710 -0.0000000), wk = 0.0032154 k( 178) = ( 0.2500000 -0.2438642 -0.0000000), wk = 0.0032154 k( 179) = ( 0.2625000 -0.2560574 -0.0000000), wk = 0.0032154 k( 180) = ( 0.2750000 -0.2682506 -0.0000000), wk = 0.0032154 k( 181) = ( 0.2875000 -0.2804438 -0.0000000), wk = 0.0032154 k( 182) = ( 0.3000000 -0.2926370 -0.0000000), wk = 0.0032154 k( 183) = ( 0.3125000 -0.3048302 -0.0000000), wk = 0.0032154 k( 184) = ( 0.3250000 -0.3170235 -0.0000000), wk = 0.0032154 k( 185) = ( 0.3375000 -0.3292167 -0.0000000), wk = 0.0032154 k( 186) = ( 0.3500000 -0.3414099 -0.0000000), wk = 0.0032154 k( 187) = ( 0.3625000 -0.3536031 -0.0000000), wk = 0.0032154 k( 188) = ( 0.3750000 -0.3657963 -0.0000000), wk = 0.0032154 k( 189) = ( 0.3875000 -0.3779895 -0.0000000), wk = 0.0032154 k( 190) = ( 0.4000000 -0.3901827 -0.0000000), wk = 0.0032154 k( 191) = ( 0.4125000 -0.4023759 -0.0000000), wk = 0.0032154 k( 192) = ( 0.4250000 -0.4145691 -0.0000000), wk = 0.0032154 k( 193) = ( 0.4375000 -0.4267623 -0.0000000), wk = 0.0032154 k( 194) = ( 0.4500000 -0.4389556 -0.0000000), wk = 0.0032154 k( 195) = ( 0.4625000 -0.4511488 -0.0000000), wk = 0.0032154 k( 196) = ( 0.4750000 -0.4633420 -0.0000000), wk = 0.0032154 k( 197) = ( 0.4875000 -0.4755352 -0.0000000), wk = 0.0032154 k( 198) = ( 0.5000000 -0.4877284 -0.0000000), wk = 0.0032154 k( 199) = ( 0.5000000 -0.4877284 -0.0000000), wk = 0.0032154 k( 200) = ( 0.5004329 -0.4872846 -0.0174132), wk = 0.0032154 k( 201) = ( 0.5008658 -0.4868408 -0.0348264), wk = 0.0032154 k( 202) = ( 0.5012987 -0.4863970 -0.0522397), wk = 0.0032154 k( 203) = ( 0.5017316 -0.4859533 -0.0696529), wk = 0.0032154 k( 204) = ( 0.5021645 -0.4855095 -0.0870661), wk = 0.0032154 k( 205) = ( 0.5025974 -0.4850657 -0.1044793), wk = 0.0032154 k( 206) = ( 0.5030303 -0.4846219 -0.1218925), wk = 0.0032154 k( 207) = ( 0.5034631 -0.4841781 -0.1393057), wk = 0.0032154 k( 208) = ( 0.5038960 -0.4837343 -0.1567190), wk = 0.0032154 k( 209) = ( 0.5043289 -0.4832905 -0.1741322), wk = 0.0032154 k( 210) = ( 0.5047618 -0.4828468 -0.1915454), wk = 0.0032154 k( 211) = ( 0.5051947 -0.4824030 -0.2089586), wk = 0.0032154 k( 212) = ( 0.5056276 -0.4819592 -0.2263718), wk = 0.0032154 k( 213) = ( 0.5060605 -0.4815154 -0.2437850), wk = 0.0032154 k( 214) = ( 0.5064934 -0.4810716 -0.2611983), wk = 0.0032154 k( 215) = ( 0.5069263 -0.4806278 -0.2786115), wk = 0.0032154 k( 216) = ( 0.5073592 -0.4801840 -0.2960247), wk = 0.0032154 k( 217) = ( 0.5077921 -0.4797403 -0.3134379), wk = 0.0032154 k( 218) = ( 0.5082250 -0.4792965 -0.3308511), wk = 0.0032154 k( 219) = ( 0.5086579 -0.4788527 -0.3482643), wk = 0.0032154 k( 220) = ( 0.5090908 -0.4784089 -0.3656776), wk = 0.0032154 k( 221) = ( 0.5095236 -0.4779651 -0.3830908), wk = 0.0032154 k( 222) = ( 0.5099565 -0.4775213 -0.4005040), wk = 0.0032154 k( 223) = ( 0.5103894 -0.4770775 -0.4179172), wk = 0.0032154 k( 224) = ( 0.5108223 -0.4766338 -0.4353304), wk = 0.0032154 k( 225) = ( 0.5112552 -0.4761900 -0.4527436), wk = 0.0032154 k( 226) = ( 0.5116881 -0.4757462 -0.4701569), wk = 0.0032154 k( 227) = ( 0.5121210 -0.4753024 -0.4875701), wk = 0.0032154 k( 228) = ( 0.5121210 -0.4753024 -0.4875701), wk = 0.0032154 k( 229) = ( 0.5181815 -0.4690894 -0.4811967), wk = 0.0032154 k( 230) = ( 0.5242420 -0.4628764 -0.4748234), wk = 0.0032154 k( 231) = ( 0.5242420 -0.4628764 -0.4748234), wk = 0.0032154 k( 232) = ( 0.5236204 -0.4506892 -0.4623216), wk = 0.0032154 k( 233) = ( 0.5229989 -0.4385019 -0.4498198), wk = 0.0032154 k( 234) = ( 0.5223773 -0.4263147 -0.4373180), wk = 0.0032154 k( 235) = ( 0.5217557 -0.4141274 -0.4248162), wk = 0.0032154 k( 236) = ( 0.5211341 -0.4019402 -0.4123144), wk = 0.0032154 k( 237) = ( 0.5205125 -0.3897530 -0.3998126), wk = 0.0032154 k( 238) = ( 0.5198909 -0.3775657 -0.3873108), wk = 0.0032154 k( 239) = ( 0.5192693 -0.3653785 -0.3748090), wk = 0.0032154 k( 240) = ( 0.5186477 -0.3531912 -0.3623072), wk = 0.0032154 k( 241) = ( 0.5180261 -0.3410040 -0.3498054), wk = 0.0032154 k( 242) = ( 0.5174045 -0.3288168 -0.3373036), wk = 0.0032154 k( 243) = ( 0.5167829 -0.3166295 -0.3248018), wk = 0.0032154 k( 244) = ( 0.5161613 -0.3044423 -0.3123000), wk = 0.0032154 k( 245) = ( 0.5155398 -0.2922550 -0.2997982), wk = 0.0032154 k( 246) = ( 0.5149182 -0.2800678 -0.2872964), wk = 0.0032154 k( 247) = ( 0.5142966 -0.2678806 -0.2747946), wk = 0.0032154 k( 248) = ( 0.5136750 -0.2556933 -0.2622928), wk = 0.0032154 k( 249) = ( 0.5130534 -0.2435061 -0.2497910), wk = 0.0032154 k( 250) = ( 0.5124318 -0.2313188 -0.2372892), wk = 0.0032154 k( 251) = ( 0.5118102 -0.2191316 -0.2247874), wk = 0.0032154 k( 252) = ( 0.5111886 -0.2069443 -0.2122856), wk = 0.0032154 k( 253) = ( 0.5105670 -0.1947571 -0.1997838), wk = 0.0032154 k( 254) = ( 0.5099455 -0.1825699 -0.1872820), wk = 0.0032154 k( 255) = ( 0.5093239 -0.1703826 -0.1747802), wk = 0.0032154 k( 256) = ( 0.5087023 -0.1581954 -0.1622784), wk = 0.0032154 k( 257) = ( 0.5080807 -0.1460081 -0.1497767), wk = 0.0032154 k( 258) = ( 0.5074591 -0.1338209 -0.1372749), wk = 0.0032154 k( 259) = ( 0.5068375 -0.1216337 -0.1247731), wk = 0.0032154 k( 260) = ( 0.5062159 -0.1094464 -0.1122713), wk = 0.0032154 k( 261) = ( 0.5055943 -0.0972592 -0.0997695), wk = 0.0032154 k( 262) = ( 0.5049727 -0.0850719 -0.0872677), wk = 0.0032154 k( 263) = ( 0.5043511 -0.0728847 -0.0747659), wk = 0.0032154 k( 264) = ( 0.5037295 -0.0606975 -0.0622641), wk = 0.0032154 k( 265) = ( 0.5031079 -0.0485102 -0.0497623), wk = 0.0032154 k( 266) = ( 0.5024864 -0.0363230 -0.0372605), wk = 0.0032154 k( 267) = ( 0.5018648 -0.0241357 -0.0247587), wk = 0.0032154 k( 268) = ( 0.5012432 -0.0119485 -0.0122569), wk = 0.0032154 k( 269) = ( 0.5006216 0.0002388 0.0002449), wk = 0.0032154 k( 270) = ( 0.5000000 0.0124260 0.0127467), wk = 0.0032154 k( 271) = ( 0.5000000 0.0124260 0.0127467), wk = 0.0032154 k( 272) = ( 0.5000000 -0.0000779 0.0249360), wk = 0.0032154 k( 273) = ( 0.5000000 -0.0125817 0.0371252), wk = 0.0032154 k( 274) = ( 0.5000000 -0.0250856 0.0493145), wk = 0.0032154 k( 275) = ( 0.5000000 -0.0375894 0.0615037), wk = 0.0032154 k( 276) = ( 0.5000000 -0.0500933 0.0736930), wk = 0.0032154 k( 277) = ( 0.5000000 -0.0625972 0.0858822), wk = 0.0032154 k( 278) = ( 0.5000000 -0.0751010 0.0980715), wk = 0.0032154 k( 279) = ( 0.5000000 -0.0876049 0.1102607), wk = 0.0032154 k( 280) = ( 0.5000000 -0.1001087 0.1224500), wk = 0.0032154 k( 281) = ( 0.5000000 -0.1126126 0.1346392), wk = 0.0032154 k( 282) = ( 0.5000000 -0.1251165 0.1468285), wk = 0.0032154 k( 283) = ( 0.5000000 -0.1376203 0.1590177), wk = 0.0032154 k( 284) = ( 0.5000000 -0.1501242 0.1712070), wk = 0.0032154 k( 285) = ( 0.5000000 -0.1626280 0.1833962), wk = 0.0032154 k( 286) = ( 0.5000000 -0.1751319 0.1955855), wk = 0.0032154 k( 287) = ( 0.5000000 -0.1876358 0.2077747), wk = 0.0032154 k( 288) = ( 0.5000000 -0.2001396 0.2199640), wk = 0.0032154 k( 289) = ( 0.5000000 -0.2126435 0.2321532), wk = 0.0032154 k( 290) = ( 0.5000000 -0.2251473 0.2443425), wk = 0.0032154 k( 291) = ( 0.5000000 -0.2376512 0.2565317), wk = 0.0032154 k( 292) = ( 0.5000000 -0.2501551 0.2687210), wk = 0.0032154 k( 293) = ( 0.5000000 -0.2626589 0.2809102), wk = 0.0032154 k( 294) = ( 0.5000000 -0.2751628 0.2930995), wk = 0.0032154 k( 295) = ( 0.5000000 -0.2876666 0.3052888), wk = 0.0032154 k( 296) = ( 0.5000000 -0.3001705 0.3174780), wk = 0.0032154 k( 297) = ( 0.5000000 -0.3126744 0.3296673), wk = 0.0032154 k( 298) = ( 0.5000000 -0.3251782 0.3418565), wk = 0.0032154 k( 299) = ( 0.5000000 -0.3376821 0.3540458), wk = 0.0032154 k( 300) = ( 0.5000000 -0.3501859 0.3662350), wk = 0.0032154 k( 301) = ( 0.5000000 -0.3626898 0.3784243), wk = 0.0032154 k( 302) = ( 0.5000000 -0.3751937 0.3906135), wk = 0.0032154 k( 303) = ( 0.5000000 -0.3876975 0.4028028), wk = 0.0032154 k( 304) = ( 0.5000000 -0.4002014 0.4149920), wk = 0.0032154 k( 305) = ( 0.5000000 -0.4127052 0.4271813), wk = 0.0032154 k( 306) = ( 0.5000000 -0.4252091 0.4393705), wk = 0.0032154 k( 307) = ( 0.5000000 -0.4377130 0.4515598), wk = 0.0032154 k( 308) = ( 0.5000000 -0.4502168 0.4637490), wk = 0.0032154 k( 309) = ( 0.5000000 -0.4627207 0.4759383), wk = 0.0032154 k( 310) = ( 0.5000000 -0.4752245 0.4881275), wk = 0.0032154 k( 311) = ( 0.5000000 -0.4877284 0.5003168), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0101642 -0.0106692 0.0101642), wk = 0.0032154 k( 3) = ( 0.0203283 -0.0213384 0.0203283), wk = 0.0032154 k( 4) = ( 0.0304924 -0.0320076 0.0304924), wk = 0.0032154 k( 5) = ( 0.0406566 -0.0426767 0.0406566), wk = 0.0032154 k( 6) = ( 0.0508207 -0.0533459 0.0508207), wk = 0.0032154 k( 7) = ( 0.0609849 -0.0640151 0.0609849), wk = 0.0032154 k( 8) = ( 0.0711490 -0.0746843 0.0711490), wk = 0.0032154 k( 9) = ( 0.0813132 -0.0853535 0.0813132), wk = 0.0032154 k( 10) = ( 0.0914773 -0.0960227 0.0914773), wk = 0.0032154 k( 11) = ( 0.1016415 -0.1066919 0.1016415), wk = 0.0032154 k( 12) = ( 0.1118056 -0.1173611 0.1118056), wk = 0.0032154 k( 13) = ( 0.1219698 -0.1280302 0.1219698), wk = 0.0032154 k( 14) = ( 0.1321339 -0.1386994 0.1321339), wk = 0.0032154 k( 15) = ( 0.1422980 -0.1493686 0.1422980), wk = 0.0032154 k( 16) = ( 0.1524622 -0.1600378 0.1524622), wk = 0.0032154 k( 17) = ( 0.1626263 -0.1707070 0.1626263), wk = 0.0032154 k( 18) = ( 0.1727905 -0.1813762 0.1727905), wk = 0.0032154 k( 19) = ( 0.1829546 -0.1920454 0.1829546), wk = 0.0032154 k( 20) = ( 0.1931188 -0.2027146 0.1931188), wk = 0.0032154 k( 21) = ( 0.2032829 -0.2133838 0.2032829), wk = 0.0032154 k( 22) = ( 0.2134471 -0.2240529 0.2134471), wk = 0.0032154 k( 23) = ( 0.2236112 -0.2347221 0.2236112), wk = 0.0032154 k( 24) = ( 0.2337753 -0.2453913 0.2337753), wk = 0.0032154 k( 25) = ( 0.2439395 -0.2560605 0.2439395), wk = 0.0032154 k( 26) = ( 0.2541036 -0.2667297 0.2541036), wk = 0.0032154 k( 27) = ( 0.2642678 -0.2773989 0.2642678), wk = 0.0032154 k( 28) = ( 0.2744319 -0.2880681 0.2744319), wk = 0.0032154 k( 29) = ( 0.2845961 -0.2987373 0.2845961), wk = 0.0032154 k( 30) = ( 0.2947602 -0.3094064 0.2947602), wk = 0.0032154 k( 31) = ( 0.3049244 -0.3200756 0.3049244), wk = 0.0032154 k( 32) = ( 0.3150885 -0.3307448 0.3150885), wk = 0.0032154 k( 33) = ( 0.3252527 -0.3414140 0.3252527), wk = 0.0032154 k( 34) = ( 0.3354168 -0.3520832 0.3354168), wk = 0.0032154 k( 35) = ( 0.3455809 -0.3627524 0.3455809), wk = 0.0032154 k( 36) = ( 0.3557451 -0.3734216 0.3557451), wk = 0.0032154 k( 37) = ( 0.3659092 -0.3840908 0.3659092), wk = 0.0032154 k( 38) = ( 0.3760734 -0.3947599 0.3760734), wk = 0.0032154 k( 39) = ( 0.3862375 -0.4054291 0.3862375), wk = 0.0032154 k( 40) = ( 0.3964017 -0.4160983 0.3964017), wk = 0.0032154 k( 41) = ( 0.4065658 -0.4267675 0.4065658), wk = 0.0032154 k( 42) = ( 0.4167300 -0.4374367 0.4167300), wk = 0.0032154 k( 43) = ( 0.4268941 -0.4481059 0.4268941), wk = 0.0032154 k( 44) = ( 0.4370583 -0.4587751 0.4370583), wk = 0.0032154 k( 45) = ( 0.4472224 -0.4694443 0.4472224), wk = 0.0032154 k( 46) = ( 0.4573866 -0.4801134 0.4573865), wk = 0.0032154 k( 47) = ( 0.4675507 -0.4907826 0.4675507), wk = 0.0032154 k( 48) = ( 0.4777148 -0.5014518 0.4777148), wk = 0.0032154 k( 49) = ( 0.4878790 -0.5121210 0.4878790), wk = 0.0032154 k( 50) = ( 0.4878790 -0.5121210 0.4878790), wk = 0.0032154 k( 51) = ( 0.4939395 -0.5060605 0.4939395), wk = 0.0032154 k( 52) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0032154 k( 53) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0032154 k( 54) = ( 0.4995592 -0.4822589 0.4995592), wk = 0.0032154 k( 55) = ( 0.4991185 -0.4645179 0.4991185), wk = 0.0032154 k( 56) = ( 0.4986777 -0.4467768 0.4986777), wk = 0.0032154 k( 57) = ( 0.4982369 -0.4290358 0.4982369), wk = 0.0032154 k( 58) = ( 0.4977962 -0.4112947 0.4977962), wk = 0.0032154 k( 59) = ( 0.4973554 -0.3935537 0.4973554), wk = 0.0032154 k( 60) = ( 0.4969147 -0.3758126 0.4969147), wk = 0.0032154 k( 61) = ( 0.4964739 -0.3580716 0.4964739), wk = 0.0032154 k( 62) = ( 0.4960331 -0.3403305 0.4960331), wk = 0.0032154 k( 63) = ( 0.4955924 -0.3225895 0.4955924), wk = 0.0032154 k( 64) = ( 0.4951516 -0.3048484 0.4951516), wk = 0.0032154 k( 65) = ( 0.4947108 -0.2871073 0.4947108), wk = 0.0032154 k( 66) = ( 0.4942701 -0.2693663 0.4942701), wk = 0.0032154 k( 67) = ( 0.4938293 -0.2516252 0.4938293), wk = 0.0032154 k( 68) = ( 0.4933885 -0.2338842 0.4933885), wk = 0.0032154 k( 69) = ( 0.4929478 -0.2161431 0.4929478), wk = 0.0032154 k( 70) = ( 0.4925070 -0.1984021 0.4925070), wk = 0.0032154 k( 71) = ( 0.4920662 -0.1806610 0.4920662), wk = 0.0032154 k( 72) = ( 0.4916255 -0.1629200 0.4916255), wk = 0.0032154 k( 73) = ( 0.4911847 -0.1451789 0.4911847), wk = 0.0032154 k( 74) = ( 0.4907439 -0.1274379 0.4907439), wk = 0.0032154 k( 75) = ( 0.4903032 -0.1096968 0.4903032), wk = 0.0032154 k( 76) = ( 0.4898624 -0.0919558 0.4898624), wk = 0.0032154 k( 77) = ( 0.4894217 -0.0742147 0.4894217), wk = 0.0032154 k( 78) = ( 0.4889809 -0.0564737 0.4889809), wk = 0.0032154 k( 79) = ( 0.4885401 -0.0387326 0.4885401), wk = 0.0032154 k( 80) = ( 0.4880994 -0.0209915 0.4880994), wk = 0.0032154 k( 81) = ( 0.4876586 -0.0032505 0.4876586), wk = 0.0032154 k( 82) = ( 0.4872178 0.0144906 0.4872178), wk = 0.0032154 k( 83) = ( 0.4867771 0.0322316 0.4867771), wk = 0.0032154 k( 84) = ( 0.4863363 0.0499727 0.4863363), wk = 0.0032154 k( 85) = ( 0.4858956 0.0677137 0.4858956), wk = 0.0032154 k( 86) = ( 0.4854548 0.0854548 0.4854548), wk = 0.0032154 k( 87) = ( 0.4850140 0.1031958 0.4850140), wk = 0.0032154 k( 88) = ( 0.4845733 0.1209369 0.4845733), wk = 0.0032154 k( 89) = ( 0.4841325 0.1386779 0.4841325), wk = 0.0032154 k( 90) = ( 0.4836917 0.1564190 0.4836917), wk = 0.0032154 k( 91) = ( 0.4832510 0.1741600 0.4832510), wk = 0.0032154 k( 92) = ( 0.4828102 0.1919011 0.4828102), wk = 0.0032154 k( 93) = ( 0.4823694 0.2096422 0.4823694), wk = 0.0032154 k( 94) = ( 0.4819287 0.2273832 0.4819287), wk = 0.0032154 k( 95) = ( 0.4814879 0.2451243 0.4814879), wk = 0.0032154 k( 96) = ( 0.4810471 0.2628653 0.4810471), wk = 0.0032154 k( 97) = ( 0.4806064 0.2806064 0.4806064), wk = 0.0032154 k( 98) = ( 0.4801656 0.2983474 0.4801656), wk = 0.0032154 k( 99) = ( 0.4797248 0.3160885 0.4797248), wk = 0.0032154 k( 100) = ( 0.4792841 0.3338295 0.4792841), wk = 0.0032154 k( 101) = ( 0.4788433 0.3515706 0.4788433), wk = 0.0032154 k( 102) = ( 0.4784025 0.3693116 0.4784025), wk = 0.0032154 k( 103) = ( 0.4779618 0.3870527 0.4779618), wk = 0.0032154 k( 104) = ( 0.4775210 0.4047938 0.4775210), wk = 0.0032154 k( 105) = ( 0.4770803 0.4225348 0.4770803), wk = 0.0032154 k( 106) = ( 0.4766395 0.4402759 0.4766395), wk = 0.0032154 k( 107) = ( 0.4761987 0.4580169 0.4761987), wk = 0.0032154 k( 108) = ( 0.4757580 0.4757580 0.4757580), wk = 0.0032154 k( 109) = ( 0.4757580 0.4757580 0.4757580), wk = 0.0032154 k( 110) = ( 0.4658464 0.4658463 0.4658464), wk = 0.0032154 k( 111) = ( 0.4559347 0.4559347 0.4559347), wk = 0.0032154 k( 112) = ( 0.4460231 0.4460231 0.4460231), wk = 0.0032154 k( 113) = ( 0.4361115 0.4361115 0.4361115), wk = 0.0032154 k( 114) = ( 0.4261998 0.4261998 0.4261998), wk = 0.0032154 k( 115) = ( 0.4162882 0.4162882 0.4162882), wk = 0.0032154 k( 116) = ( 0.4063766 0.4063766 0.4063766), wk = 0.0032154 k( 117) = ( 0.3964650 0.3964650 0.3964650), wk = 0.0032154 k( 118) = ( 0.3865534 0.3865533 0.3865534), wk = 0.0032154 k( 119) = ( 0.3766417 0.3766417 0.3766417), wk = 0.0032154 k( 120) = ( 0.3667301 0.3667301 0.3667301), wk = 0.0032154 k( 121) = ( 0.3568185 0.3568185 0.3568185), wk = 0.0032154 k( 122) = ( 0.3469068 0.3469068 0.3469068), wk = 0.0032154 k( 123) = ( 0.3369952 0.3369952 0.3369952), wk = 0.0032154 k( 124) = ( 0.3270836 0.3270836 0.3270836), wk = 0.0032154 k( 125) = ( 0.3171720 0.3171720 0.3171720), wk = 0.0032154 k( 126) = ( 0.3072604 0.3072604 0.3072604), wk = 0.0032154 k( 127) = ( 0.2973487 0.2973487 0.2973487), wk = 0.0032154 k( 128) = ( 0.2874371 0.2874371 0.2874371), wk = 0.0032154 k( 129) = ( 0.2775255 0.2775255 0.2775255), wk = 0.0032154 k( 130) = ( 0.2676139 0.2676139 0.2676139), wk = 0.0032154 k( 131) = ( 0.2577022 0.2577022 0.2577022), wk = 0.0032154 k( 132) = ( 0.2477906 0.2477906 0.2477906), wk = 0.0032154 k( 133) = ( 0.2378790 0.2378790 0.2378790), wk = 0.0032154 k( 134) = ( 0.2279674 0.2279674 0.2279674), wk = 0.0032154 k( 135) = ( 0.2180557 0.2180557 0.2180557), wk = 0.0032154 k( 136) = ( 0.2081441 0.2081441 0.2081441), wk = 0.0032154 k( 137) = ( 0.1982325 0.1982325 0.1982325), wk = 0.0032154 k( 138) = ( 0.1883209 0.1883209 0.1883209), wk = 0.0032154 k( 139) = ( 0.1784092 0.1784092 0.1784092), wk = 0.0032154 k( 140) = ( 0.1684976 0.1684976 0.1684976), wk = 0.0032154 k( 141) = ( 0.1585860 0.1585860 0.1585860), wk = 0.0032154 k( 142) = ( 0.1486744 0.1486744 0.1486744), wk = 0.0032154 k( 143) = ( 0.1387627 0.1387627 0.1387627), wk = 0.0032154 k( 144) = ( 0.1288511 0.1288511 0.1288511), wk = 0.0032154 k( 145) = ( 0.1189395 0.1189395 0.1189395), wk = 0.0032154 k( 146) = ( 0.1090279 0.1090279 0.1090279), wk = 0.0032154 k( 147) = ( 0.0991162 0.0991162 0.0991162), wk = 0.0032154 k( 148) = ( 0.0892046 0.0892046 0.0892046), wk = 0.0032154 k( 149) = ( 0.0792930 0.0792930 0.0792930), wk = 0.0032154 k( 150) = ( 0.0693814 0.0693814 0.0693814), wk = 0.0032154 k( 151) = ( 0.0594698 0.0594698 0.0594698), wk = 0.0032154 k( 152) = ( 0.0495581 0.0495581 0.0495581), wk = 0.0032154 k( 153) = ( 0.0396465 0.0396465 0.0396465), wk = 0.0032154 k( 154) = ( 0.0297349 0.0297349 0.0297349), wk = 0.0032154 k( 155) = ( 0.0198233 0.0198232 0.0198233), wk = 0.0032154 k( 156) = ( 0.0099116 0.0099116 0.0099116), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 159) = ( 0.0125000 -0.0125000 -0.0000000), wk = 0.0032154 k( 160) = ( 0.0250000 -0.0250000 -0.0000000), wk = 0.0032154 k( 161) = ( 0.0375000 -0.0375000 -0.0000000), wk = 0.0032154 k( 162) = ( 0.0500000 -0.0500000 -0.0000000), wk = 0.0032154 k( 163) = ( 0.0625000 -0.0625000 -0.0000000), wk = 0.0032154 k( 164) = ( 0.0750000 -0.0750000 -0.0000000), wk = 0.0032154 k( 165) = ( 0.0875000 -0.0875000 -0.0000000), wk = 0.0032154 k( 166) = ( 0.1000000 -0.1000000 -0.0000000), wk = 0.0032154 k( 167) = ( 0.1125000 -0.1125000 -0.0000000), wk = 0.0032154 k( 168) = ( 0.1250000 -0.1250000 -0.0000000), wk = 0.0032154 k( 169) = ( 0.1375000 -0.1375000 -0.0000000), wk = 0.0032154 k( 170) = ( 0.1500000 -0.1500000 -0.0000000), wk = 0.0032154 k( 171) = ( 0.1625000 -0.1625000 -0.0000000), wk = 0.0032154 k( 172) = ( 0.1750000 -0.1750000 -0.0000000), wk = 0.0032154 k( 173) = ( 0.1875000 -0.1875000 -0.0000000), wk = 0.0032154 k( 174) = ( 0.2000000 -0.2000000 -0.0000000), wk = 0.0032154 k( 175) = ( 0.2125000 -0.2125000 0.0000000), wk = 0.0032154 k( 176) = ( 0.2250000 -0.2250000 -0.0000000), wk = 0.0032154 k( 177) = ( 0.2375000 -0.2375000 -0.0000000), wk = 0.0032154 k( 178) = ( 0.2500000 -0.2500000 -0.0000000), wk = 0.0032154 k( 179) = ( 0.2625000 -0.2625000 -0.0000000), wk = 0.0032154 k( 180) = ( 0.2750000 -0.2750000 -0.0000000), wk = 0.0032154 k( 181) = ( 0.2875000 -0.2875000 -0.0000000), wk = 0.0032154 k( 182) = ( 0.3000000 -0.3000000 -0.0000000), wk = 0.0032154 k( 183) = ( 0.3125000 -0.3125000 -0.0000000), wk = 0.0032154 k( 184) = ( 0.3250000 -0.3250000 -0.0000000), wk = 0.0032154 k( 185) = ( 0.3375000 -0.3375000 -0.0000000), wk = 0.0032154 k( 186) = ( 0.3500000 -0.3500000 -0.0000000), wk = 0.0032154 k( 187) = ( 0.3625000 -0.3625000 -0.0000000), wk = 0.0032154 k( 188) = ( 0.3750000 -0.3750000 -0.0000000), wk = 0.0032154 k( 189) = ( 0.3875000 -0.3875000 -0.0000000), wk = 0.0032154 k( 190) = ( 0.4000000 -0.4000000 -0.0000000), wk = 0.0032154 k( 191) = ( 0.4125000 -0.4125000 -0.0000000), wk = 0.0032154 k( 192) = ( 0.4250000 -0.4250000 0.0000000), wk = 0.0032154 k( 193) = ( 0.4375000 -0.4375000 -0.0000000), wk = 0.0032154 k( 194) = ( 0.4500000 -0.4500000 -0.0000000), wk = 0.0032154 k( 195) = ( 0.4625000 -0.4625000 -0.0000000), wk = 0.0032154 k( 196) = ( 0.4750000 -0.4750000 -0.0000000), wk = 0.0032154 k( 197) = ( 0.4875000 -0.4875000 -0.0000000), wk = 0.0032154 k( 198) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0032154 k( 199) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0032154 k( 200) = ( 0.5004329 -0.4995671 -0.0174242), wk = 0.0032154 k( 201) = ( 0.5008658 -0.4991342 -0.0348485), wk = 0.0032154 k( 202) = ( 0.5012987 -0.4987013 -0.0522728), wk = 0.0032154 k( 203) = ( 0.5017316 -0.4982684 -0.0696970), wk = 0.0032154 k( 204) = ( 0.5021645 -0.4978355 -0.0871213), wk = 0.0032154 k( 205) = ( 0.5025974 -0.4974026 -0.1045455), wk = 0.0032154 k( 206) = ( 0.5030303 -0.4969697 -0.1219698), wk = 0.0032154 k( 207) = ( 0.5034631 -0.4965368 -0.1393940), wk = 0.0032154 k( 208) = ( 0.5038960 -0.4961040 -0.1568182), wk = 0.0032154 k( 209) = ( 0.5043289 -0.4956711 -0.1742425), wk = 0.0032154 k( 210) = ( 0.5047618 -0.4952382 -0.1916667), wk = 0.0032154 k( 211) = ( 0.5051947 -0.4948053 -0.2090910), wk = 0.0032154 k( 212) = ( 0.5056276 -0.4943724 -0.2265152), wk = 0.0032154 k( 213) = ( 0.5060605 -0.4939395 -0.2439395), wk = 0.0032154 k( 214) = ( 0.5064934 -0.4935066 -0.2613637), wk = 0.0032154 k( 215) = ( 0.5069263 -0.4930737 -0.2787880), wk = 0.0032154 k( 216) = ( 0.5073592 -0.4926408 -0.2962122), wk = 0.0032154 k( 217) = ( 0.5077921 -0.4922079 -0.3136365), wk = 0.0032154 k( 218) = ( 0.5082250 -0.4917750 -0.3310607), wk = 0.0032154 k( 219) = ( 0.5086579 -0.4913421 -0.3484850), wk = 0.0032154 k( 220) = ( 0.5090908 -0.4909092 -0.3659092), wk = 0.0032154 k( 221) = ( 0.5095236 -0.4904763 -0.3833335), wk = 0.0032154 k( 222) = ( 0.5099565 -0.4900434 -0.4007577), wk = 0.0032154 k( 223) = ( 0.5103894 -0.4896106 -0.4181820), wk = 0.0032154 k( 224) = ( 0.5108223 -0.4891777 -0.4356062), wk = 0.0032154 k( 225) = ( 0.5112552 -0.4887448 -0.4530305), wk = 0.0032154 k( 226) = ( 0.5116881 -0.4883119 -0.4704547), wk = 0.0032154 k( 227) = ( 0.5121210 -0.4878790 -0.4878790), wk = 0.0032154 k( 228) = ( 0.5121210 -0.4878790 -0.4878790), wk = 0.0032154 k( 229) = ( 0.5181815 -0.4818185 -0.4818185), wk = 0.0032154 k( 230) = ( 0.5242420 -0.4757580 -0.4757580), wk = 0.0032154 k( 231) = ( 0.5242420 -0.4757580 -0.4757580), wk = 0.0032154 k( 232) = ( 0.5236204 -0.4635590 -0.4635591), wk = 0.0032154 k( 233) = ( 0.5229989 -0.4513601 -0.4513601), wk = 0.0032154 k( 234) = ( 0.5223773 -0.4391612 -0.4391612), wk = 0.0032154 k( 235) = ( 0.5217557 -0.4269623 -0.4269623), wk = 0.0032154 k( 236) = ( 0.5211341 -0.4147634 -0.4147634), wk = 0.0032154 k( 237) = ( 0.5205125 -0.4025644 -0.4025644), wk = 0.0032154 k( 238) = ( 0.5198909 -0.3903655 -0.3903655), wk = 0.0032154 k( 239) = ( 0.5192693 -0.3781666 -0.3781666), wk = 0.0032154 k( 240) = ( 0.5186477 -0.3659677 -0.3659677), wk = 0.0032154 k( 241) = ( 0.5180261 -0.3537687 -0.3537688), wk = 0.0032154 k( 242) = ( 0.5174045 -0.3415698 -0.3415698), wk = 0.0032154 k( 243) = ( 0.5167829 -0.3293709 -0.3293709), wk = 0.0032154 k( 244) = ( 0.5161613 -0.3171720 -0.3171720), wk = 0.0032154 k( 245) = ( 0.5155398 -0.3049731 -0.3049731), wk = 0.0032154 k( 246) = ( 0.5149182 -0.2927741 -0.2927741), wk = 0.0032154 k( 247) = ( 0.5142966 -0.2805752 -0.2805752), wk = 0.0032154 k( 248) = ( 0.5136750 -0.2683763 -0.2683763), wk = 0.0032154 k( 249) = ( 0.5130534 -0.2561774 -0.2561774), wk = 0.0032154 k( 250) = ( 0.5124318 -0.2439784 -0.2439785), wk = 0.0032154 k( 251) = ( 0.5118102 -0.2317795 -0.2317795), wk = 0.0032154 k( 252) = ( 0.5111886 -0.2195806 -0.2195806), wk = 0.0032154 k( 253) = ( 0.5105670 -0.2073817 -0.2073817), wk = 0.0032154 k( 254) = ( 0.5099455 -0.1951828 -0.1951828), wk = 0.0032154 k( 255) = ( 0.5093239 -0.1829838 -0.1829838), wk = 0.0032154 k( 256) = ( 0.5087023 -0.1707849 -0.1707849), wk = 0.0032154 k( 257) = ( 0.5080807 -0.1585860 -0.1585860), wk = 0.0032154 k( 258) = ( 0.5074591 -0.1463871 -0.1463871), wk = 0.0032154 k( 259) = ( 0.5068375 -0.1341882 -0.1341882), wk = 0.0032154 k( 260) = ( 0.5062159 -0.1219892 -0.1219892), wk = 0.0032154 k( 261) = ( 0.5055943 -0.1097903 -0.1097903), wk = 0.0032154 k( 262) = ( 0.5049727 -0.0975914 -0.0975914), wk = 0.0032154 k( 263) = ( 0.5043511 -0.0853925 -0.0853925), wk = 0.0032154 k( 264) = ( 0.5037295 -0.0731935 -0.0731935), wk = 0.0032154 k( 265) = ( 0.5031079 -0.0609946 -0.0609946), wk = 0.0032154 k( 266) = ( 0.5024864 -0.0487957 -0.0487957), wk = 0.0032154 k( 267) = ( 0.5018648 -0.0365968 -0.0365968), wk = 0.0032154 k( 268) = ( 0.5012432 -0.0243978 -0.0243978), wk = 0.0032154 k( 269) = ( 0.5006216 -0.0121989 -0.0121989), wk = 0.0032154 k( 270) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032154 k( 271) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032154 k( 272) = ( 0.5000000 -0.0125000 0.0125000), wk = 0.0032154 k( 273) = ( 0.5000000 -0.0250000 0.0250000), wk = 0.0032154 k( 274) = ( 0.5000000 -0.0375000 0.0375000), wk = 0.0032154 k( 275) = ( 0.5000000 -0.0500000 0.0500000), wk = 0.0032154 k( 276) = ( 0.5000000 -0.0625000 0.0625000), wk = 0.0032154 k( 277) = ( 0.5000000 -0.0750000 0.0750000), wk = 0.0032154 k( 278) = ( 0.5000000 -0.0875000 0.0875000), wk = 0.0032154 k( 279) = ( 0.5000000 -0.1000000 0.1000000), wk = 0.0032154 k( 280) = ( 0.5000000 -0.1125000 0.1125000), wk = 0.0032154 k( 281) = ( 0.5000000 -0.1250000 0.1250000), wk = 0.0032154 k( 282) = ( 0.5000000 -0.1375000 0.1375000), wk = 0.0032154 k( 283) = ( 0.5000000 -0.1500000 0.1500000), wk = 0.0032154 k( 284) = ( 0.5000000 -0.1625000 0.1625000), wk = 0.0032154 k( 285) = ( 0.5000000 -0.1750000 0.1750000), wk = 0.0032154 k( 286) = ( 0.5000000 -0.1875000 0.1875000), wk = 0.0032154 k( 287) = ( 0.5000000 -0.2000000 0.2000000), wk = 0.0032154 k( 288) = ( 0.5000000 -0.2125000 0.2125000), wk = 0.0032154 k( 289) = ( 0.5000000 -0.2250000 0.2250000), wk = 0.0032154 k( 290) = ( 0.5000000 -0.2375000 0.2375000), wk = 0.0032154 k( 291) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0032154 k( 292) = ( 0.5000000 -0.2625000 0.2625000), wk = 0.0032154 k( 293) = ( 0.5000000 -0.2750000 0.2750000), wk = 0.0032154 k( 294) = ( 0.5000000 -0.2875000 0.2875000), wk = 0.0032154 k( 295) = ( 0.5000000 -0.3000000 0.3000000), wk = 0.0032154 k( 296) = ( 0.5000000 -0.3125000 0.3125000), wk = 0.0032154 k( 297) = ( 0.5000000 -0.3250000 0.3250000), wk = 0.0032154 k( 298) = ( 0.5000000 -0.3375000 0.3375000), wk = 0.0032154 k( 299) = ( 0.5000000 -0.3500000 0.3500000), wk = 0.0032154 k( 300) = ( 0.5000000 -0.3625000 0.3625000), wk = 0.0032154 k( 301) = ( 0.5000000 -0.3750000 0.3750000), wk = 0.0032154 k( 302) = ( 0.5000000 -0.3875000 0.3875000), wk = 0.0032154 k( 303) = ( 0.5000000 -0.4000000 0.4000000), wk = 0.0032154 k( 304) = ( 0.5000000 -0.4125000 0.4125000), wk = 0.0032154 k( 305) = ( 0.5000000 -0.4250000 0.4250000), wk = 0.0032154 k( 306) = ( 0.5000000 -0.4375000 0.4375000), wk = 0.0032154 k( 307) = ( 0.5000000 -0.4500000 0.4500000), wk = 0.0032154 k( 308) = ( 0.5000000 -0.4625000 0.4625000), wk = 0.0032154 k( 309) = ( 0.5000000 -0.4750000 0.4750000), wk = 0.0032154 k( 310) = ( 0.5000000 -0.4875000 0.4875000), wk = 0.0032154 k( 311) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0032154 Dense grid: 167211 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.80 Mb ( 1186, 44) NL pseudopotentials 1.59 Mb ( 593, 176) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.04 Mb ( 4646) G-vector shells 0.03 Mb ( 3676) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.19 Mb ( 1186, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.24 Mb ( 176, 2, 44) The potential is recalculated from file : ./Li3AlH6.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 12.2 secs Computing kpt #: 10 total cpu time spent up to now is 13.3 secs Computing kpt #: 11 total cpu time spent up to now is 14.3 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.2 secs Computing kpt #: 18 total cpu time spent up to now is 21.2 secs Computing kpt #: 19 total cpu time spent up to now is 22.1 secs Computing kpt #: 20 total cpu time spent up to now is 23.1 secs Computing kpt #: 21 total cpu time spent up to now is 24.1 secs Computing kpt #: 22 total cpu time spent up to now is 25.0 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 26.9 secs Computing kpt #: 25 total cpu time spent up to now is 27.9 secs Computing kpt #: 26 total cpu time spent up to now is 28.9 secs Computing kpt #: 27 total cpu time spent up to now is 29.8 secs Computing kpt #: 28 total cpu time spent up to now is 30.8 secs Computing kpt #: 29 total cpu time spent up to now is 31.8 secs Computing kpt #: 30 total cpu time spent up to now is 32.8 secs Computing kpt #: 31 total cpu time spent up to now is 33.8 secs Computing kpt #: 32 total cpu time spent up to now is 34.9 secs Computing kpt #: 33 total cpu time spent up to now is 36.1 secs Computing kpt #: 34 total cpu time spent up to now is 38.1 secs Computing kpt #: 35 total cpu time spent up to now is 39.3 secs Computing kpt #: 36 total cpu time spent up to now is 40.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.6 secs Computing kpt #: 38 total cpu time spent up to now is 42.8 secs Computing kpt #: 39 total cpu time spent up to now is 44.0 secs Computing kpt #: 40 total cpu time spent up to now is 45.2 secs Computing kpt #: 41 total cpu time spent up to now is 46.5 secs Computing kpt #: 42 total cpu time spent up to now is 47.7 secs Computing kpt #: 43 total cpu time spent up to now is 49.0 secs Computing kpt #: 44 total cpu time spent up to now is 50.2 secs Computing kpt #: 45 total cpu time spent up to now is 51.5 secs Computing kpt #: 46 total cpu time spent up to now is 52.8 secs Computing kpt #: 47 total cpu time spent up to now is 54.2 secs Computing kpt #: 48 total cpu time spent up to now is 55.5 secs Computing kpt #: 49 total cpu time spent up to now is 56.7 secs Computing kpt #: 50 total cpu time spent up to now is 58.1 secs Computing kpt #: 51 total cpu time spent up to now is 59.4 secs Computing kpt #: 52 total cpu time spent up to now is 60.7 secs Computing kpt #: 53 total cpu time spent up to now is 61.9 secs Computing kpt #: 54 total cpu time spent up to now is 63.3 secs Computing kpt #: 55 total cpu time spent up to now is 64.6 secs Computing kpt #: 56 total cpu time spent up to now is 65.8 secs Computing kpt #: 57 total cpu time spent up to now is 67.1 secs Computing kpt #: 58 total cpu time spent up to now is 68.3 secs Computing kpt #: 59 total cpu time spent up to now is 69.5 secs Computing kpt #: 60 total cpu time spent up to now is 70.7 secs Computing kpt #: 61 total cpu time spent up to now is 75.3 secs Computing kpt #: 62 total cpu time spent up to now is 76.3 secs Computing kpt #: 63 total cpu time spent up to now is 77.3 secs Computing kpt #: 64 total cpu time spent up to now is 78.3 secs Computing kpt #: 65 total cpu time spent up to now is 79.3 secs Computing kpt #: 66 total cpu time spent up to now is 80.4 secs Computing kpt #: 67 total cpu time spent up to now is 81.4 secs Computing kpt #: 68 total cpu time spent up to now is 82.4 secs Computing kpt #: 69 total cpu time spent up to now is 83.4 secs Computing kpt #: 70 total cpu time spent up to now is 84.3 secs Computing kpt #: 71 total cpu time spent up to now is 85.3 secs Computing kpt #: 72 total cpu time spent up to now is 86.3 secs Computing kpt #: 73 total cpu time spent up to now is 87.2 secs Computing kpt #: 74 total cpu time spent up to now is 88.2 secs Computing kpt #: 75 total cpu time spent up to now is 89.2 secs Computing kpt #: 76 total cpu time spent up to now is 90.2 secs Computing kpt #: 77 total cpu time spent up to now is 91.2 secs Computing kpt #: 78 total cpu time spent up to now is 92.2 secs Computing kpt #: 79 total cpu time spent up to now is 93.1 secs Computing kpt #: 80 total cpu time spent up to now is 94.1 secs Computing kpt #: 81 total cpu time spent up to now is 95.1 secs Computing kpt #: 82 total cpu time spent up to now is 96.1 secs Computing kpt #: 83 total cpu time spent up to now is 97.1 secs Computing kpt #: 84 total cpu time spent up to now is 98.1 secs Computing kpt #: 85 total cpu time spent up to now is 99.0 secs Computing kpt #: 86 total cpu time spent up to now is 100.0 secs Computing kpt #: 87 total cpu time spent up to now is 101.0 secs Computing kpt #: 88 total cpu time spent up to now is 102.0 secs Computing kpt #: 89 total cpu time spent up to now is 103.0 secs Computing kpt #: 90 total cpu time spent up to now is 104.0 secs Computing kpt #: 91 total cpu time spent up to now is 105.0 secs Computing kpt #: 92 total cpu time spent up to now is 106.0 secs Computing kpt #: 93 total cpu time spent up to now is 106.9 secs Computing kpt #: 94 total cpu time spent up to now is 107.9 secs Computing kpt #: 95 total cpu time spent up to now is 108.9 secs Computing kpt #: 96 total cpu time spent up to now is 109.9 secs Computing kpt #: 97 total cpu time spent up to now is 110.9 secs Computing kpt #: 98 total cpu time spent up to now is 112.0 secs Computing kpt #: 99 total cpu time spent up to now is 113.0 secs Computing kpt #: 100 total cpu time spent up to now is 114.2 secs Computing kpt #: 101 total cpu time spent up to now is 115.4 secs Computing kpt #: 102 total cpu time spent up to now is 116.6 secs Computing kpt #: 103 total cpu time spent up to now is 117.9 secs Computing kpt #: 104 total cpu time spent up to now is 119.1 secs Computing kpt #: 105 total cpu time spent up to now is 120.5 secs Computing kpt #: 106 total cpu time spent up to now is 122.2 secs Computing kpt #: 107 total cpu time spent up to now is 123.6 secs Computing kpt #: 108 total cpu time spent up to now is 125.0 secs Computing kpt #: 109 total cpu time spent up to now is 126.3 secs Computing kpt #: 110 total cpu time spent up to now is 127.7 secs Computing kpt #: 111 total cpu time spent up to now is 129.1 secs Computing kpt #: 112 total cpu time spent up to now is 130.5 secs Computing kpt #: 113 total cpu time spent up to now is 131.8 secs Computing kpt #: 114 total cpu time spent up to now is 133.0 secs Computing kpt #: 115 total cpu time spent up to now is 134.2 secs Computing kpt #: 116 total cpu time spent up to now is 135.4 secs Computing kpt #: 117 total cpu time spent up to now is 136.6 secs Computing kpt #: 118 total cpu time spent up to now is 137.6 secs Computing kpt #: 119 total cpu time spent up to now is 138.6 secs Computing kpt #: 120 total cpu time spent up to now is 139.6 secs Computing kpt #: 121 total cpu time spent up to now is 140.6 secs Computing kpt #: 122 total cpu time spent up to now is 141.6 secs Computing kpt #: 123 total cpu time spent up to now is 142.5 secs Computing kpt #: 124 total cpu time spent up to now is 143.4 secs Computing kpt #: 125 total cpu time spent up to now is 144.4 secs Computing kpt #: 126 total cpu time spent up to now is 145.3 secs Computing kpt #: 127 total cpu time spent up to now is 146.2 secs Computing kpt #: 128 total cpu time spent up to now is 147.1 secs Computing kpt #: 129 total cpu time spent up to now is 148.0 secs Computing kpt #: 130 total cpu time spent up to now is 148.9 secs Computing kpt #: 131 total cpu time spent up to now is 149.8 secs Computing kpt #: 132 total cpu time spent up to now is 150.8 secs Computing kpt #: 133 total cpu time spent up to now is 151.7 secs Computing kpt #: 134 total cpu time spent up to now is 152.6 secs Computing kpt #: 135 total cpu time spent up to now is 153.5 secs Computing kpt #: 136 total cpu time spent up to now is 154.4 secs Computing kpt #: 137 total cpu time spent up to now is 155.3 secs Computing kpt #: 138 total cpu time spent up to now is 156.3 secs Computing kpt #: 139 total cpu time spent up to now is 157.2 secs Computing kpt #: 140 total cpu time spent up to now is 158.1 secs Computing kpt #: 141 total cpu time spent up to now is 159.0 secs Computing kpt #: 142 total cpu time spent up to now is 159.9 secs Computing kpt #: 143 total cpu time spent up to now is 160.9 secs Computing kpt #: 144 total cpu time spent up to now is 161.8 secs Computing kpt #: 145 total cpu time spent up to now is 162.8 secs Computing kpt #: 146 total cpu time spent up to now is 163.7 secs Computing kpt #: 147 total cpu time spent up to now is 164.7 secs Computing kpt #: 148 total cpu time spent up to now is 165.7 secs Computing kpt #: 149 total cpu time spent up to now is 166.6 secs Computing kpt #: 150 total cpu time spent up to now is 167.6 secs Computing kpt #: 151 total cpu time spent up to now is 168.6 secs Computing kpt #: 152 total cpu time spent up to now is 169.6 secs Computing kpt #: 153 total cpu time spent up to now is 170.8 secs Computing kpt #: 154 total cpu time spent up to now is 171.9 secs Computing kpt #: 155 total cpu time spent up to now is 173.1 secs Computing kpt #: 156 total cpu time spent up to now is 174.2 secs Computing kpt #: 157 total cpu time spent up to now is 175.4 secs Computing kpt #: 158 total cpu time spent up to now is 176.6 secs Computing kpt #: 159 total cpu time spent up to now is 177.7 secs Computing kpt #: 160 total cpu time spent up to now is 178.9 secs Computing kpt #: 161 total cpu time spent up to now is 180.1 secs Computing kpt #: 162 total cpu time spent up to now is 181.1 secs Computing kpt #: 163 total cpu time spent up to now is 182.1 secs Computing kpt #: 164 total cpu time spent up to now is 183.1 secs Computing kpt #: 165 total cpu time spent up to now is 184.1 secs Computing kpt #: 166 total cpu time spent up to now is 185.1 secs Computing kpt #: 167 total cpu time spent up to now is 186.1 secs Computing kpt #: 168 total cpu time spent up to now is 187.2 secs Computing kpt #: 169 total cpu time spent up to now is 188.2 secs Computing kpt #: 170 total cpu time spent up to now is 189.2 secs Computing kpt #: 171 total cpu time spent up to now is 190.1 secs Computing kpt #: 172 total cpu time spent up to now is 191.1 secs Computing kpt #: 173 total cpu time spent up to now is 192.1 secs Computing kpt #: 174 total cpu time spent up to now is 193.1 secs Computing kpt #: 175 total cpu time spent up to now is 194.1 secs Computing kpt #: 176 total cpu time spent up to now is 195.1 secs Computing kpt #: 177 total cpu time spent up to now is 196.1 secs Computing kpt #: 178 total cpu time spent up to now is 197.1 secs Computing kpt #: 179 total cpu time spent up to now is 198.1 secs Computing kpt #: 180 total cpu time spent up to now is 199.1 secs Computing kpt #: 181 total cpu time spent up to now is 200.0 secs Computing kpt #: 182 total cpu time spent up to now is 201.0 secs Computing kpt #: 183 total cpu time spent up to now is 201.9 secs Computing kpt #: 184 total cpu time spent up to now is 202.9 secs Computing kpt #: 185 total cpu time spent up to now is 203.8 secs Computing kpt #: 186 total cpu time spent up to now is 204.7 secs Computing kpt #: 187 total cpu time spent up to now is 205.7 secs Computing kpt #: 188 total cpu time spent up to now is 206.6 secs Computing kpt #: 189 total cpu time spent up to now is 207.5 secs Computing kpt #: 190 total cpu time spent up to now is 208.5 secs Computing kpt #: 191 total cpu time spent up to now is 209.4 secs Computing kpt #: 192 total cpu time spent up to now is 210.4 secs Computing kpt #: 193 total cpu time spent up to now is 211.4 secs Computing kpt #: 194 total cpu time spent up to now is 212.4 secs Computing kpt #: 195 total cpu time spent up to now is 213.3 secs Computing kpt #: 196 total cpu time spent up to now is 214.3 secs Computing kpt #: 197 total cpu time spent up to now is 215.3 secs Computing kpt #: 198 total cpu time spent up to now is 216.3 secs Computing kpt #: 199 total cpu time spent up to now is 217.3 secs Computing kpt #: 200 total cpu time spent up to now is 218.3 secs Computing kpt #: 201 total cpu time spent up to now is 219.3 secs Computing kpt #: 202 total cpu time spent up to now is 220.3 secs Computing kpt #: 203 total cpu time spent up to now is 221.3 secs Computing kpt #: 204 total cpu time spent up to now is 222.3 secs Computing kpt #: 205 total cpu time spent up to now is 223.3 secs Computing kpt #: 206 total cpu time spent up to now is 224.3 secs Computing kpt #: 207 total cpu time spent up to now is 225.3 secs Computing kpt #: 208 total cpu time spent up to now is 226.2 secs Computing kpt #: 209 total cpu time spent up to now is 227.2 secs Computing kpt #: 210 total cpu time spent up to now is 228.2 secs Computing kpt #: 211 total cpu time spent up to now is 229.2 secs Computing kpt #: 212 total cpu time spent up to now is 230.1 secs Computing kpt #: 213 total cpu time spent up to now is 231.1 secs Computing kpt #: 214 total cpu time spent up to now is 232.1 secs Computing kpt #: 215 total cpu time spent up to now is 233.1 secs Computing kpt #: 216 total cpu time spent up to now is 234.1 secs Computing kpt #: 217 total cpu time spent up to now is 235.2 secs Computing kpt #: 218 total cpu time spent up to now is 236.2 secs Computing kpt #: 219 total cpu time spent up to now is 237.4 secs Computing kpt #: 220 total cpu time spent up to now is 238.6 secs Computing kpt #: 221 total cpu time spent up to now is 239.8 secs Computing kpt #: 222 total cpu time spent up to now is 241.1 secs Computing kpt #: 223 total cpu time spent up to now is 242.3 secs Computing kpt #: 224 total cpu time spent up to now is 243.7 secs Computing kpt #: 225 total cpu time spent up to now is 245.1 secs Computing kpt #: 226 total cpu time spent up to now is 246.5 secs Computing kpt #: 227 total cpu time spent up to now is 247.8 secs Computing kpt #: 228 total cpu time spent up to now is 249.2 secs Computing kpt #: 229 total cpu time spent up to now is 250.5 secs Computing kpt #: 230 total cpu time spent up to now is 251.8 secs Computing kpt #: 231 total cpu time spent up to now is 253.2 secs Computing kpt #: 232 total cpu time spent up to now is 254.6 secs Computing kpt #: 233 total cpu time spent up to now is 256.1 secs Computing kpt #: 234 total cpu time spent up to now is 257.5 secs Computing kpt #: 235 total cpu time spent up to now is 258.8 secs Computing kpt #: 236 total cpu time spent up to now is 260.1 secs Computing kpt #: 237 total cpu time spent up to now is 261.4 secs Computing kpt #: 238 total cpu time spent up to now is 262.6 secs Computing kpt #: 239 total cpu time spent up to now is 263.9 secs Computing kpt #: 240 total cpu time spent up to now is 265.6 secs Computing kpt #: 241 total cpu time spent up to now is 266.9 secs Computing kpt #: 242 total cpu time spent up to now is 268.1 secs Computing kpt #: 243 total cpu time spent up to now is 269.3 secs Computing kpt #: 244 total cpu time spent up to now is 270.5 secs Computing kpt #: 245 total cpu time spent up to now is 271.7 secs Computing kpt #: 246 total cpu time spent up to now is 272.8 secs Computing kpt #: 247 total cpu time spent up to now is 274.0 secs Computing kpt #: 248 total cpu time spent up to now is 275.1 secs Computing kpt #: 249 total cpu time spent up to now is 276.3 secs Computing kpt #: 250 total cpu time spent up to now is 277.3 secs Computing kpt #: 251 total cpu time spent up to now is 278.3 secs Computing kpt #: 252 total cpu time spent up to now is 279.3 secs Computing kpt #: 253 total cpu time spent up to now is 280.3 secs Computing kpt #: 254 total cpu time spent up to now is 281.3 secs Computing kpt #: 255 total cpu time spent up to now is 282.3 secs Computing kpt #: 256 total cpu time spent up to now is 283.3 secs Computing kpt #: 257 total cpu time spent up to now is 284.3 secs Computing kpt #: 258 total cpu time spent up to now is 285.4 secs Computing kpt #: 259 total cpu time spent up to now is 286.6 secs Computing kpt #: 260 total cpu time spent up to now is 287.6 secs Computing kpt #: 261 total cpu time spent up to now is 288.7 secs Computing kpt #: 262 total cpu time spent up to now is 289.8 secs Computing kpt #: 263 total cpu time spent up to now is 291.0 secs Computing kpt #: 264 total cpu time spent up to now is 292.1 secs Computing kpt #: 265 total cpu time spent up to now is 293.3 secs Computing kpt #: 266 total cpu time spent up to now is 294.4 secs Computing kpt #: 267 total cpu time spent up to now is 295.6 secs Computing kpt #: 268 total cpu time spent up to now is 296.8 secs Computing kpt #: 269 total cpu time spent up to now is 297.8 secs Computing kpt #: 270 total cpu time spent up to now is 298.8 secs Computing kpt #: 271 total cpu time spent up to now is 299.9 secs Computing kpt #: 272 total cpu time spent up to now is 300.9 secs Computing kpt #: 273 total cpu time spent up to now is 301.9 secs Computing kpt #: 274 total cpu time spent up to now is 302.9 secs Computing kpt #: 275 total cpu time spent up to now is 303.9 secs Computing kpt #: 276 total cpu time spent up to now is 304.9 secs Computing kpt #: 277 total cpu time spent up to now is 305.9 secs Computing kpt #: 278 total cpu time spent up to now is 306.9 secs Computing kpt #: 279 total cpu time spent up to now is 307.9 secs Computing kpt #: 280 total cpu time spent up to now is 308.9 secs Computing kpt #: 281 total cpu time spent up to now is 309.9 secs Computing kpt #: 282 total cpu time spent up to now is 310.9 secs Computing kpt #: 283 total cpu time spent up to now is 312.0 secs Computing kpt #: 284 total cpu time spent up to now is 313.0 secs Computing kpt #: 285 total cpu time spent up to now is 314.0 secs Computing kpt #: 286 total cpu time spent up to now is 315.2 secs Computing kpt #: 287 total cpu time spent up to now is 316.3 secs Computing kpt #: 288 total cpu time spent up to now is 317.5 secs Computing kpt #: 289 total cpu time spent up to now is 318.6 secs Computing kpt #: 290 total cpu time spent up to now is 319.8 secs Computing kpt #: 291 total cpu time spent up to now is 320.9 secs Computing kpt #: 292 total cpu time spent up to now is 322.1 secs Computing kpt #: 293 total cpu time spent up to now is 323.2 secs Computing kpt #: 294 total cpu time spent up to now is 324.4 secs Computing kpt #: 295 total cpu time spent up to now is 325.6 secs Computing kpt #: 296 total cpu time spent up to now is 326.8 secs Computing kpt #: 297 total cpu time spent up to now is 328.0 secs Computing kpt #: 298 total cpu time spent up to now is 329.2 secs Computing kpt #: 299 total cpu time spent up to now is 330.4 secs Computing kpt #: 300 total cpu time spent up to now is 331.7 secs Computing kpt #: 301 total cpu time spent up to now is 332.9 secs Computing kpt #: 302 total cpu time spent up to now is 334.2 secs Computing kpt #: 303 total cpu time spent up to now is 335.6 secs Computing kpt #: 304 total cpu time spent up to now is 336.9 secs Computing kpt #: 305 total cpu time spent up to now is 338.1 secs Computing kpt #: 306 total cpu time spent up to now is 339.4 secs Computing kpt #: 307 total cpu time spent up to now is 340.7 secs Computing kpt #: 308 total cpu time spent up to now is 341.9 secs Computing kpt #: 309 total cpu time spent up to now is 343.2 secs Computing kpt #: 310 total cpu time spent up to now is 344.5 secs Computing kpt #: 311 total cpu time spent up to now is 345.7 secs ethr = 2.78E-08, avg # of iterations = 21.4 total cpu time spent up to now is 345.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 20893 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6181 -6.6181 -5.1244 -5.1244 -2.6912 -2.6912 -2.6861 -2.6861 -2.5961 -2.5961 -1.6286 -1.6286 -1.6286 -1.6286 -1.2990 -1.2990 -1.2923 -1.2923 -1.1470 -1.1470 -0.4176 -0.4176 -0.4176 -0.4176 4.4190 4.4190 5.4873 5.4873 5.4873 5.4873 5.5169 5.5169 k = 0.0102-0.0104 0.0102 ( 20869 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6172 -6.6172 -5.1256 -5.1256 -2.6921 -2.6921 -2.6855 -2.6855 -2.5981 -2.5981 -1.6284 -1.6284 -1.6259 -1.6259 -1.3014 -1.3014 -1.2939 -1.2939 -1.1461 -1.1461 -0.4177 -0.4177 -0.4148 -0.4148 4.4225 4.4225 5.4821 5.4821 5.4893 5.4893 5.5133 5.5133 k = 0.0203-0.0208 0.0203 ( 20861 PWs) bands (ev): -43.7915 -43.7915 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6143 -6.6143 -5.1291 -5.1291 -2.6979 -2.6979 -2.6808 -2.6808 -2.6038 -2.6038 -1.6281 -1.6281 -1.6180 -1.6180 -1.3113 -1.3113 -1.2959 -1.2959 -1.1430 -1.1430 -0.4181 -0.4181 -0.4067 -0.4067 4.4328 4.4328 5.4678 5.4678 5.4952 5.4952 5.5030 5.5030 k = 0.0305-0.0313 0.0305 ( 20854 PWs) bands (ev): -43.7915 -43.7915 -43.7817 -43.7817 -43.7816 -43.7816 -43.7771 -43.7771 -43.7770 -43.7770 -43.7725 -43.7725 -6.6096 -6.6096 -5.1349 -5.1349 -2.7084 -2.7084 -2.6733 -2.6733 -2.6115 -2.6115 -1.6283 -1.6283 -1.6054 -1.6054 -1.3293 -1.3293 -1.2977 -1.2977 -1.1367 -1.1367 -0.4186 -0.4186 -0.3936 -0.3936 4.4496 4.4496 5.4468 5.4468 5.4870 5.4870 5.5055 5.5055 k = 0.0407-0.0417 0.0406 ( 20845 PWs) bands (ev): -43.7915 -43.7915 -43.7817 -43.7817 -43.7816 -43.7816 -43.7771 -43.7771 -43.7770 -43.7770 -43.7725 -43.7725 -6.6031 -6.6031 -5.1428 -5.1428 -2.7228 -2.7228 -2.6680 -2.6680 -2.6165 -2.6165 -1.6301 -1.6301 -1.5893 -1.5893 -1.3534 -1.3534 -1.3002 -1.3002 -1.1261 -1.1261 -0.4192 -0.4192 -0.3762 -0.3762 4.4726 4.4726 5.4218 5.4218 5.4677 5.4677 5.5194 5.5194 k = 0.0508-0.0521 0.0508 ( 20841 PWs) bands (ev): -43.7914 -43.7914 -43.7818 -43.7818 -43.7816 -43.7816 -43.7772 -43.7772 -43.7769 -43.7769 -43.7725 -43.7725 -6.5946 -6.5946 -5.1528 -5.1528 -2.7405 -2.7405 -2.6733 -2.6733 -2.6101 -2.6101 -1.6346 -1.6346 -1.5718 -1.5718 -1.3811 -1.3811 -1.3036 -1.3036 -1.1102 -1.1102 -0.4197 -0.4197 -0.3552 -0.3552 4.5011 4.5011 5.3945 5.3945 5.4466 5.4466 5.5371 5.5371 k = 0.0610-0.0625 0.0609 ( 20842 PWs) bands (ev): -43.7913 -43.7913 -43.7819 -43.7819 -43.7816 -43.7816 -43.7772 -43.7772 -43.7769 -43.7769 -43.7725 -43.7725 -6.5843 -6.5843 -5.1646 -5.1646 -2.7611 -2.7611 -2.6894 -2.6894 -2.5920 -2.5920 -1.6429 -1.6429 -1.5578 -1.5578 -1.4075 -1.4075 -1.3081 -1.3081 -1.0884 -1.0884 -0.4199 -0.4199 -0.3312 -0.3312 4.5343 4.5343 5.3656 5.3656 5.4256 5.4256 5.5580 5.5580 k = 0.0711-0.0729 0.0711 ( 20850 PWs) bands (ev): -43.7912 -43.7912 -43.7820 -43.7820 -43.7817 -43.7817 -43.7772 -43.7772 -43.7768 -43.7768 -43.7726 -43.7726 -6.5722 -6.5722 -5.1781 -5.1781 -2.7841 -2.7841 -2.7109 -2.7109 -2.5672 -2.5672 -1.6562 -1.6562 -1.5566 -1.5566 -1.4228 -1.4228 -1.3131 -1.3131 -1.0605 -1.0605 -0.4196 -0.4196 -0.3048 -0.3048 4.5715 4.5715 5.3355 5.3355 5.4060 5.4060 5.5804 5.5804 k = 0.0813-0.0834 0.0813 ( 20845 PWs) bands (ev): -43.7911 -43.7911 -43.7821 -43.7821 -43.7817 -43.7817 -43.7772 -43.7772 -43.7767 -43.7767 -43.7726 -43.7726 -6.5582 -6.5582 -5.1930 -5.1930 -2.8089 -2.8089 -2.7352 -2.7352 -2.5383 -2.5383 -1.6757 -1.6757 -1.5755 -1.5755 -1.4202 -1.4202 -1.3170 -1.3170 -1.0266 -1.0266 -0.4185 -0.4185 -0.2766 -0.2766 4.6116 4.6116 5.3042 5.3042 5.3886 5.3886 5.6008 5.6008 k = 0.0915-0.0938 0.0914 ( 20844 PWs) bands (ev): -43.7910 -43.7910 -43.7822 -43.7822 -43.7817 -43.7817 -43.7772 -43.7772 -43.7766 -43.7766 -43.7727 -43.7727 -6.5425 -6.5425 -5.2092 -5.2092 -2.8351 -2.8351 -2.7612 -2.7612 -2.5066 -2.5066 -1.7029 -1.7029 -1.6076 -1.6076 -1.4095 -1.4095 -1.3150 -1.3150 -0.9873 -0.9873 -0.4163 -0.4163 -0.2468 -0.2468 4.6537 4.6537 5.2716 5.2716 5.3734 5.3734 5.6121 5.6121 k = 0.1016-0.1042 0.1016 ( 20844 PWs) bands (ev): -43.7909 -43.7909 -43.7823 -43.7823 -43.7817 -43.7817 -43.7773 -43.7773 -43.7765 -43.7765 -43.7728 -43.7728 -6.5250 -6.5250 -5.2263 -5.2263 -2.8623 -2.8623 -2.7882 -2.7882 -2.4732 -2.4732 -1.7392 -1.7392 -1.6433 -1.6433 -1.4057 -1.4057 -1.3000 -1.3000 -0.9431 -0.9431 -0.4127 -0.4127 -0.2158 -0.2158 4.6970 4.6970 5.2375 5.2375 5.3594 5.3594 5.6057 5.6057 k = 0.1118-0.1146 0.1117 ( 20846 PWs) bands (ev): -43.7907 -43.7907 -43.7824 -43.7824 -43.7817 -43.7817 -43.7773 -43.7773 -43.7764 -43.7764 -43.7728 -43.7728 -6.5057 -6.5057 -5.2442 -5.2442 -2.8901 -2.8901 -2.8157 -2.8157 -2.4390 -2.4390 -1.7838 -1.7838 -1.6782 -1.6782 -1.4137 -1.4137 -1.2708 -1.2708 -0.8949 -0.8949 -0.4074 -0.4074 -0.1838 -0.1838 4.7406 4.7406 5.2010 5.2010 5.3453 5.3453 5.5828 5.5828 k = 0.1220-0.1250 0.1219 ( 20850 PWs) bands (ev): -43.7906 -43.7906 -43.7825 -43.7825 -43.7818 -43.7818 -43.7773 -43.7773 -43.7763 -43.7763 -43.7729 -43.7729 -6.4847 -6.4847 -5.2626 -5.2626 -2.9182 -2.9182 -2.8432 -2.8432 -2.4055 -2.4055 -1.8339 -1.8339 -1.7121 -1.7121 -1.4302 -1.4302 -1.2328 -1.2328 -0.8434 -0.8434 -0.4001 -0.4001 -0.1510 -0.1510 4.7841 4.7841 5.1611 5.1611 5.3292 5.3292 5.5559 5.5559 k = 0.1321-0.1355 0.1321 ( 20870 PWs) bands (ev): -43.7904 -43.7904 -43.7826 -43.7826 -43.7818 -43.7818 -43.7774 -43.7774 -43.7762 -43.7762 -43.7730 -43.7730 -6.4621 -6.4621 -5.2815 -5.2815 -2.9463 -2.9463 -2.8706 -2.8706 -2.3747 -2.3747 -1.8859 -1.8859 -1.7460 -1.7460 -1.4519 -1.4519 -1.1898 -1.1898 -0.7894 -0.7894 -0.3904 -0.3904 -0.1175 -0.1175 4.8269 4.8269 5.1169 5.1169 5.3107 5.3107 5.5360 5.5360 k = 0.1423-0.1459 0.1422 ( 20868 PWs) bands (ev): -43.7903 -43.7903 -43.7827 -43.7827 -43.7818 -43.7818 -43.7774 -43.7774 -43.7761 -43.7761 -43.7731 -43.7731 -6.4378 -6.4378 -5.3004 -5.3004 -2.9742 -2.9742 -2.8975 -2.8975 -2.3493 -2.3493 -1.9356 -1.9356 -1.7807 -1.7807 -1.4773 -1.4773 -1.1438 -1.1438 -0.7337 -0.7337 -0.3779 -0.3779 -0.0834 -0.0834 4.8690 4.8690 5.0683 5.0683 5.2911 5.2911 5.5273 5.5273 k = 0.1525-0.1563 0.1524 ( 20871 PWs) bands (ev): -43.7901 -43.7901 -43.7829 -43.7829 -43.7819 -43.7819 -43.7775 -43.7775 -43.7760 -43.7760 -43.7732 -43.7732 -6.4120 -6.4120 -5.3194 -5.3194 -3.0016 -3.0016 -2.9239 -2.9239 -2.3337 -2.3337 -1.9783 -1.9783 -1.8166 -1.8166 -1.5058 -1.5058 -1.0957 -1.0957 -0.6772 -0.6772 -0.3620 -0.3620 -0.0488 -0.0488 4.9100 4.9100 5.0167 5.0167 5.2732 5.2732 5.5293 5.5293 k = 0.1626-0.1667 0.1625 ( 20874 PWs) bands (ev): -43.7899 -43.7899 -43.7830 -43.7830 -43.7819 -43.7819 -43.7775 -43.7775 -43.7759 -43.7759 -43.7733 -43.7733 -6.3846 -6.3846 -5.3381 -5.3381 -3.0283 -3.0283 -2.9495 -2.9495 -2.3335 -2.3335 -2.0083 -2.0083 -1.8536 -1.8536 -1.5367 -1.5367 -1.0459 -1.0459 -0.6208 -0.6208 -0.3421 -0.3421 -0.0139 -0.0139 4.9449 4.9449 4.9696 4.9696 5.2589 5.2589 5.5396 5.5396 k = 0.1728-0.1771 0.1727 ( 20877 PWs) bands (ev): -43.7897 -43.7897 -43.7831 -43.7831 -43.7819 -43.7819 -43.7775 -43.7775 -43.7758 -43.7758 -43.7734 -43.7734 -6.3558 -6.3558 -5.3566 -5.3566 -3.0542 -3.0542 -2.9743 -2.9743 -2.3524 -2.3524 -2.0223 -2.0223 -1.8917 -1.8917 -1.5697 -1.5697 -0.9947 -0.9947 -0.5656 -0.5656 -0.3173 -0.3173 0.0215 0.0215 4.9084 4.9084 4.9947 4.9947 5.2490 5.2490 5.5563 5.5563 k = 0.1830-0.1876 0.1828 ( 20881 PWs) bands (ev): -43.7895 -43.7895 -43.7832 -43.7832 -43.7820 -43.7820 -43.7776 -43.7776 -43.7757 -43.7757 -43.7735 -43.7735 -6.3255 -6.3255 -5.3745 -5.3745 -3.0791 -3.0791 -2.9981 -2.9981 -2.3890 -2.3890 -2.0225 -2.0225 -1.9304 -1.9304 -1.6043 -1.6043 -0.9424 -0.9424 -0.5129 -0.5129 -0.2867 -0.2867 0.0572 0.0572 4.8602 4.8602 5.0347 5.0347 5.2439 5.2439 5.5779 5.5779 k = 0.1931-0.1980 0.1930 ( 20872 PWs) bands (ev): -43.7892 -43.7892 -43.7833 -43.7833 -43.7820 -43.7820 -43.7776 -43.7776 -43.7757 -43.7757 -43.7736 -43.7736 -6.2940 -6.2940 -5.3918 -5.3918 -3.1029 -3.1029 -3.0210 -3.0210 -2.4377 -2.4377 -2.0165 -2.0165 -1.9682 -1.9682 -1.6400 -1.6400 -0.8889 -0.8889 -0.4636 -0.4636 -0.2496 -0.2496 0.0931 0.0931 4.8164 4.8164 5.0753 5.0753 5.2436 5.2436 5.6034 5.6034 k = 0.2033-0.2084 0.2032 ( 20877 PWs) bands (ev): -43.7890 -43.7890 -43.7834 -43.7834 -43.7820 -43.7820 -43.7776 -43.7776 -43.7756 -43.7756 -43.7738 -43.7738 -6.2611 -6.2611 -5.4084 -5.4084 -3.1255 -3.1255 -3.0428 -3.0428 -2.4935 -2.4935 -2.0249 -2.0249 -1.9899 -1.9899 -1.6762 -1.6762 -0.8342 -0.8342 -0.4180 -0.4180 -0.2057 -0.2057 0.1293 0.1293 4.7788 4.7788 5.1161 5.1161 5.2485 5.2485 5.6321 5.6321 k = 0.2134-0.2188 0.2133 ( 20883 PWs) bands (ev): -43.7888 -43.7888 -43.7835 -43.7835 -43.7821 -43.7821 -43.7777 -43.7777 -43.7756 -43.7756 -43.7739 -43.7739 -6.2272 -6.2272 -5.4242 -5.4242 -3.1468 -3.1468 -3.0635 -3.0635 -2.5528 -2.5528 -2.0613 -2.0613 -1.9862 -1.9862 -1.7123 -1.7123 -0.7784 -0.7784 -0.3758 -0.3758 -0.1557 -0.1557 0.1656 0.1656 4.7483 4.7483 5.1563 5.1563 5.2593 5.2593 5.6636 5.6636 k = 0.2236-0.2292 0.2235 ( 20879 PWs) bands (ev): -43.7885 -43.7885 -43.7836 -43.7836 -43.7821 -43.7821 -43.7777 -43.7777 -43.7755 -43.7755 -43.7740 -43.7740 -6.1922 -6.1922 -5.4391 -5.4391 -3.1667 -3.1667 -3.0832 -3.0832 -2.6137 -2.6137 -2.1032 -2.1032 -1.9826 -1.9826 -1.7474 -1.7474 -0.7212 -0.7212 -0.3358 -0.3358 -0.1011 -0.1011 0.2020 0.2020 4.7258 4.7258 5.1948 5.1948 5.2773 5.2773 5.6973 5.6973 k = 0.2338-0.2397 0.2336 ( 20882 PWs) bands (ev): -43.7883 -43.7883 -43.7837 -43.7837 -43.7822 -43.7822 -43.7777 -43.7777 -43.7755 -43.7755 -43.7741 -43.7741 -6.1562 -6.1562 -5.4530 -5.4530 -3.1851 -3.1851 -3.1018 -3.1018 -2.6746 -2.6746 -2.1464 -2.1464 -1.9853 -1.9853 -1.7807 -1.7807 -0.6627 -0.6627 -0.2969 -0.2969 -0.0433 -0.0433 0.2384 0.2384 4.7118 4.7118 5.2293 5.2293 5.3048 5.3048 5.7331 5.7331 k = 0.2439-0.2501 0.2438 ( 20884 PWs) bands (ev): -43.7881 -43.7881 -43.7837 -43.7837 -43.7822 -43.7822 -43.7778 -43.7778 -43.7755 -43.7755 -43.7742 -43.7742 -6.1195 -6.1195 -5.4659 -5.4659 -3.2020 -3.2020 -3.1193 -3.1193 -2.7346 -2.7346 -2.1904 -2.1904 -1.9962 -1.9962 -1.8115 -1.8115 -0.6028 -0.6028 -0.2580 -0.2580 0.0165 0.0165 0.2747 0.2747 4.7066 4.7066 5.2594 5.2594 5.3421 5.3421 5.7707 5.7707 k = 0.2541-0.2605 0.2539 ( 20889 PWs) bands (ev): -43.7878 -43.7878 -43.7838 -43.7838 -43.7822 -43.7822 -43.7778 -43.7778 -43.7755 -43.7755 -43.7743 -43.7743 -6.0821 -6.0821 -5.4777 -5.4777 -3.2174 -3.2174 -3.1360 -3.1360 -2.7930 -2.7930 -2.2348 -2.2348 -2.0156 -2.0156 -1.8401 -1.8401 -0.5415 -0.5415 -0.2185 -0.2185 0.0771 0.0771 0.3109 0.3109 4.7106 4.7106 5.2876 5.2876 5.3871 5.3871 5.8099 5.8099 k = 0.2643-0.2709 0.2641 ( 20889 PWs) bands (ev): -43.7876 -43.7876 -43.7839 -43.7839 -43.7823 -43.7823 -43.7778 -43.7778 -43.7755 -43.7755 -43.7745 -43.7745 -6.0442 -6.0442 -5.4884 -5.4884 -3.2312 -3.2312 -3.1518 -3.1518 -2.8490 -2.8490 -2.2794 -2.2794 -2.0426 -2.0426 -1.8677 -1.8677 -0.4789 -0.4789 -0.1779 -0.1779 0.1377 0.1377 0.3468 0.3468 4.7238 4.7238 5.3162 5.3162 5.4372 5.4372 5.8505 5.8505 k = 0.2744-0.2813 0.2743 ( 20898 PWs) bands (ev): -43.7873 -43.7873 -43.7839 -43.7839 -43.7823 -43.7823 -43.7779 -43.7779 -43.7755 -43.7755 -43.7746 -43.7746 -6.0059 -6.0059 -5.4979 -5.4979 -3.2434 -3.2434 -3.1669 -3.1669 -2.9020 -2.9020 -2.3242 -2.3242 -2.0754 -2.0754 -1.8961 -1.8961 -0.4150 -0.4150 -0.1363 -0.1363 0.1977 0.1977 0.3824 0.3824 4.7463 4.7463 5.3466 5.3466 5.4909 5.4909 5.8924 5.8924 k = 0.2846-0.2918 0.2844 ( 20904 PWs) bands (ev): -43.7870 -43.7870 -43.7840 -43.7840 -43.7824 -43.7824 -43.7779 -43.7779 -43.7755 -43.7755 -43.7747 -43.7747 -5.9675 -5.9675 -5.5062 -5.5062 -3.2540 -3.2540 -3.1818 -3.1818 -2.9513 -2.9513 -2.3691 -2.3691 -2.1120 -2.1120 -1.9268 -1.9268 -0.3501 -0.3501 -0.0933 -0.0933 0.2565 0.2565 0.4175 0.4175 4.7780 4.7780 5.3796 5.3796 5.5477 5.5477 5.9353 5.9353 k = 0.2948-0.3022 0.2946 ( 20906 PWs) bands (ev): -43.7868 -43.7868 -43.7840 -43.7840 -43.7824 -43.7824 -43.7779 -43.7779 -43.7756 -43.7756 -43.7748 -43.7748 -5.9291 -5.9291 -5.5133 -5.5133 -3.2631 -3.2631 -3.1967 -3.1967 -2.9961 -2.9961 -2.4138 -2.4138 -2.1512 -2.1512 -1.9609 -1.9609 -0.2845 -0.2845 -0.0492 -0.0492 0.3136 0.3136 0.4521 0.4521 4.8187 4.8187 5.4152 5.4152 5.6071 5.6071 5.9792 5.9792 k = 0.3049-0.3126 0.3047 ( 20902 PWs) bands (ev): -43.7865 -43.7865 -43.7841 -43.7841 -43.7825 -43.7825 -43.7779 -43.7779 -43.7757 -43.7757 -43.7748 -43.7748 -5.8910 -5.8910 -5.5193 -5.5193 -3.2708 -3.2708 -3.2120 -3.2120 -3.0353 -3.0353 -2.4583 -2.4583 -2.1919 -2.1919 -1.9989 -1.9989 -0.2183 -0.2183 -0.0041 -0.0041 0.3687 0.3687 0.4860 0.4860 4.8683 4.8683 5.4536 5.4536 5.6690 5.6690 6.0240 6.0240 k = 0.3151-0.3230 0.3149 ( 20902 PWs) bands (ev): -43.7863 -43.7863 -43.7841 -43.7841 -43.7825 -43.7825 -43.7779 -43.7779 -43.7757 -43.7757 -43.7749 -43.7749 -5.8534 -5.8534 -5.5241 -5.5241 -3.2774 -3.2774 -3.2280 -3.2280 -3.0683 -3.0683 -2.5025 -2.5025 -2.2335 -2.2335 -2.0409 -2.0409 -0.1519 -0.1519 0.0419 0.0419 0.4211 0.4211 0.5190 0.5190 4.9265 4.9265 5.4947 5.4947 5.7332 5.7332 6.0694 6.0694 k = 0.3253-0.3334 0.3250 ( 20884 PWs) bands (ev): -43.7860 -43.7860 -43.7841 -43.7841 -43.7826 -43.7826 -43.7779 -43.7779 -43.7758 -43.7758 -43.7750 -43.7750 -5.8166 -5.8166 -5.5277 -5.5277 -3.2837 -3.2837 -3.2439 -3.2439 -3.0945 -3.0945 -2.5464 -2.5464 -2.2756 -2.2756 -2.0865 -2.0865 -0.0856 -0.0856 0.0886 0.0886 0.4705 0.4705 0.5512 0.5512 4.9930 4.9930 5.5385 5.5385 5.7996 5.7996 6.1155 6.1155 k = 0.3354-0.3439 0.3352 ( 20894 PWs) bands (ev): -43.7858 -43.7858 -43.7841 -43.7841 -43.7826 -43.7826 -43.7779 -43.7779 -43.7759 -43.7759 -43.7751 -43.7751 -5.7808 -5.7808 -5.5302 -5.5302 -3.2919 -3.2919 -3.2573 -3.2573 -3.1140 -3.1140 -2.5897 -2.5897 -2.3179 -2.3179 -2.1353 -2.1353 -0.0199 -0.0199 0.1358 0.1358 0.5165 0.5165 0.5825 0.5825 5.0675 5.0675 5.5847 5.5847 5.8681 5.8681 6.1620 6.1620 k = 0.3456-0.3543 0.3454 ( 20902 PWs) bands (ev): -43.7856 -43.7856 -43.7842 -43.7842 -43.7827 -43.7827 -43.7778 -43.7778 -43.7760 -43.7760 -43.7751 -43.7751 -5.7462 -5.7462 -5.5316 -5.5316 -3.3040 -3.3040 -3.2648 -3.2648 -3.1276 -3.1276 -2.6324 -2.6324 -2.3605 -2.3605 -2.1868 -2.1868 0.0449 0.0449 0.1833 0.1833 0.5585 0.5585 0.6128 0.6128 5.1496 5.1496 5.6333 5.6333 5.9385 5.9385 6.2088 6.2088 k = 0.3557-0.3647 0.3555 ( 20896 PWs) bands (ev): -43.7853 -43.7853 -43.7842 -43.7842 -43.7828 -43.7828 -43.7778 -43.7778 -43.7762 -43.7762 -43.7752 -43.7752 -5.7133 -5.7133 -5.5320 -5.5320 -3.3187 -3.3187 -3.2666 -3.2666 -3.1364 -3.1364 -2.6744 -2.6744 -2.4032 -2.4032 -2.2402 -2.2402 0.1084 0.1084 0.2307 0.2307 0.5961 0.5961 0.6421 0.6421 5.2389 5.2389 5.6839 5.6839 6.0107 6.0107 6.2560 6.2560 k = 0.3659-0.3751 0.3657 ( 20899 PWs) bands (ev): -43.7851 -43.7851 -43.7842 -43.7842 -43.7828 -43.7828 -43.7778 -43.7778 -43.7763 -43.7763 -43.7753 -43.7753 -5.6821 -5.6821 -5.5315 -5.5315 -3.3327 -3.3327 -3.2648 -3.2648 -3.1415 -3.1415 -2.7155 -2.7155 -2.4465 -2.4465 -2.2945 -2.2945 0.1704 0.1704 0.2780 0.2780 0.6291 0.6291 0.6702 0.6702 5.3350 5.3350 5.7363 5.7363 6.0844 6.0844 6.3033 6.3033 k = 0.3761-0.3855 0.3758 ( 20896 PWs) bands (ev): -43.7849 -43.7849 -43.7842 -43.7842 -43.7829 -43.7829 -43.7777 -43.7777 -43.7764 -43.7764 -43.7754 -43.7754 -5.6531 -5.6531 -5.5300 -5.5300 -3.3440 -3.3440 -3.2603 -3.2603 -3.1436 -3.1436 -2.7558 -2.7558 -2.4908 -2.4908 -2.3486 -2.3486 0.2304 0.2304 0.3248 0.3248 0.6574 0.6574 0.6965 0.6965 5.4375 5.4375 5.7902 5.7902 6.1593 6.1593 6.3507 6.3507 k = 0.3862-0.3960 0.3860 ( 20901 PWs) bands (ev): -43.7847 -43.7847 -43.7841 -43.7841 -43.7830 -43.7830 -43.7777 -43.7777 -43.7765 -43.7765 -43.7755 -43.7755 -5.6264 -5.6264 -5.5278 -5.5278 -3.3512 -3.3512 -3.2538 -3.2538 -3.1431 -3.1431 -2.7951 -2.7951 -2.5369 -2.5369 -2.4010 -2.4010 0.2881 0.2881 0.3708 0.3708 0.6814 0.6814 0.7205 0.7205 5.5460 5.5460 5.8450 5.8450 6.2350 6.2350 6.3982 6.3982 k = 0.3964-0.4064 0.3962 ( 20902 PWs) bands (ev): -43.7845 -43.7845 -43.7841 -43.7841 -43.7830 -43.7830 -43.7776 -43.7776 -43.7766 -43.7766 -43.7756 -43.7756 -5.6022 -5.6022 -5.5249 -5.5249 -3.3539 -3.3539 -3.2454 -3.2454 -3.1407 -3.1407 -2.8332 -2.8332 -2.5855 -2.5855 -2.4502 -2.4502 0.3433 0.3433 0.4157 0.4157 0.7016 0.7016 0.7412 0.7412 5.6600 5.6600 5.9002 5.9002 6.3108 6.3108 6.4457 6.4457 k = 0.4066-0.4168 0.4063 ( 20902 PWs) bands (ev): -43.7844 -43.7844 -43.7841 -43.7841 -43.7831 -43.7831 -43.7776 -43.7776 -43.7767 -43.7767 -43.7757 -43.7757 -5.5807 -5.5807 -5.5214 -5.5214 -3.3515 -3.3515 -3.2353 -3.2353 -3.1365 -3.1365 -2.8701 -2.8701 -2.6370 -2.6370 -2.4952 -2.4952 0.3957 0.3957 0.4591 0.4591 0.7181 0.7181 0.7581 0.7581 5.7790 5.7790 5.9553 5.9553 6.3857 6.3857 6.4933 6.4933 k = 0.4167-0.4272 0.4165 ( 20917 PWs) bands (ev): -43.7842 -43.7842 -43.7840 -43.7840 -43.7832 -43.7832 -43.7775 -43.7775 -43.7768 -43.7768 -43.7758 -43.7758 -5.5621 -5.5621 -5.5174 -5.5174 -3.3438 -3.3438 -3.2237 -3.2237 -3.1308 -3.1308 -2.9056 -2.9056 -2.6913 -2.6913 -2.5355 -2.5355 0.4451 0.4451 0.5007 0.5007 0.7312 0.7312 0.7709 0.7709 5.9022 5.9022 6.0096 6.0096 6.4583 6.4583 6.5412 6.5412 k = 0.4269-0.4376 0.4266 ( 20935 PWs) bands (ev): -43.7841 -43.7841 -43.7840 -43.7840 -43.7832 -43.7832 -43.7775 -43.7775 -43.7769 -43.7769 -43.7759 -43.7759 -5.5464 -5.5464 -5.5130 -5.5130 -3.3308 -3.3308 -3.2108 -3.2108 -3.1240 -3.1240 -2.9394 -2.9394 -2.7474 -2.7474 -2.5711 -2.5711 0.4912 0.4912 0.5399 0.5399 0.7410 0.7410 0.7792 0.7792 6.0284 6.0284 6.0628 6.0628 6.5260 6.5260 6.5895 6.5895 k = 0.4371-0.4481 0.4368 ( 20950 PWs) bands (ev): -43.7841 -43.7841 -43.7839 -43.7839 -43.7833 -43.7833 -43.7774 -43.7774 -43.7769 -43.7769 -43.7760 -43.7760 -5.5336 -5.5336 -5.5085 -5.5085 -3.3125 -3.3125 -3.1970 -3.1970 -3.1161 -3.1161 -2.9712 -2.9712 -2.8043 -2.8043 -2.6024 -2.6024 0.5340 0.5340 0.5764 0.5764 0.7474 0.7474 0.7832 0.7832 6.1109 6.1109 6.1599 6.1599 6.5861 6.5861 6.6384 6.6384 k = 0.4472-0.4585 0.4469 ( 20949 PWs) bands (ev): -43.7840 -43.7840 -43.7838 -43.7838 -43.7834 -43.7834 -43.7773 -43.7773 -43.7770 -43.7770 -43.7761 -43.7761 -5.5237 -5.5237 -5.5039 -5.5039 -3.2891 -3.2891 -3.1829 -3.1829 -3.1077 -3.1077 -3.0003 -3.0003 -2.8609 -2.8609 -2.6296 -2.6296 0.5731 0.5731 0.6093 0.6093 0.7507 0.7507 0.7829 0.7829 6.1578 6.1578 6.2905 6.2905 6.6368 6.6368 6.6857 6.6857 k = 0.4574-0.4689 0.4571 ( 20943 PWs) bands (ev): -43.7840 -43.7840 -43.7837 -43.7837 -43.7834 -43.7834 -43.7772 -43.7772 -43.7770 -43.7770 -43.7762 -43.7762 -5.5164 -5.5164 -5.4997 -5.4997 -3.2611 -3.2611 -3.1697 -3.1697 -3.0990 -3.0990 -3.0254 -3.0254 -2.9158 -2.9158 -2.6528 -2.6528 0.6082 0.6082 0.6379 0.6379 0.7513 0.7513 0.7785 0.7785 6.2001 6.2001 6.4206 6.4206 6.6785 6.6785 6.7267 6.7267 k = 0.4676-0.4793 0.4673 ( 20949 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7835 -43.7835 -43.7772 -43.7772 -43.7771 -43.7771 -43.7762 -43.7762 -5.5114 -5.5114 -5.4961 -5.4961 -3.2294 -3.2294 -3.1603 -3.1603 -3.0905 -3.0905 -3.0439 -3.0439 -2.9677 -2.9677 -2.6718 -2.6718 0.6386 0.6386 0.6606 0.6606 0.7503 0.7503 0.7709 0.7709 6.2374 6.2374 6.5465 6.5465 6.7110 6.7110 6.7562 6.7562 k = 0.4777-0.4897 0.4774 ( 20948 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5083 -5.5083 -5.4936 -5.4936 -3.1960 -3.1960 -3.1589 -3.1589 -3.0829 -3.0829 -3.0515 -3.0515 -3.0138 -3.0138 -2.6863 -2.6863 0.6627 0.6627 0.6746 0.6746 0.7503 0.7503 0.7615 0.7615 6.2692 6.2692 6.6606 6.6606 6.7321 6.7321 6.7673 6.7673 k = 0.4879-0.5002 0.4876 ( 20960 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5070 -5.5070 -5.4925 -5.4925 -3.1699 -3.1699 -3.1658 -3.1658 -3.0778 -3.0778 -3.0476 -3.0476 -3.0443 -3.0443 -2.6959 -2.6959 0.6764 0.6764 0.6771 0.6771 0.7538 0.7538 0.7546 0.7546 6.2952 6.2952 6.7332 6.7332 6.7380 6.7380 6.7568 6.7568 k = 0.4879-0.5002 0.4876 ( 20960 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5070 -5.5070 -5.4925 -5.4925 -3.1699 -3.1699 -3.1658 -3.1658 -3.0778 -3.0778 -3.0476 -3.0476 -3.0443 -3.0443 -2.6959 -2.6959 0.6764 0.6764 0.6771 0.6771 0.7538 0.7538 0.7546 0.7546 6.2952 6.2952 6.7332 6.7332 6.7380 6.7380 6.7568 6.7568 k = 0.4939-0.4939 0.4939 ( 20942 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5061 -5.5061 -5.4919 -5.4919 -3.1651 -3.1651 -3.1610 -3.1610 -3.0716 -3.0716 -3.0538 -3.0538 -3.0507 -3.0507 -2.7060 -2.7060 0.6785 0.6785 0.6792 0.6792 0.7550 0.7550 0.7558 0.7558 6.3293 6.3293 6.7363 6.7363 6.7414 6.7414 6.7567 6.7567 k = 0.5000-0.4877 0.5003 ( 20936 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5058 -5.5058 -5.4917 -5.4917 -3.1633 -3.1633 -3.1593 -3.1593 -3.0696 -3.0696 -3.0559 -3.0559 -3.0530 -3.0530 -2.7095 -2.7095 0.6792 0.6792 0.6799 0.6799 0.7554 0.7554 0.7562 0.7562 6.3415 6.3415 6.7372 6.7372 6.7424 6.7424 6.7559 6.7559 k = 0.5000-0.4877 0.5003 ( 20936 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5058 -5.5058 -5.4917 -5.4917 -3.1633 -3.1633 -3.1593 -3.1593 -3.0696 -3.0696 -3.0559 -3.0559 -3.0530 -3.0530 -2.7095 -2.7095 0.6792 0.6792 0.6799 0.6799 0.7554 0.7554 0.7562 0.7562 6.3415 6.3415 6.7372 6.7372 6.7424 6.7424 6.7559 6.7559 k = 0.4996-0.4700 0.5003 ( 20947 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5066 -5.5066 -5.4924 -5.4924 -3.1761 -3.1761 -3.1654 -3.1654 -3.0669 -3.0669 -3.0513 -3.0513 -3.0389 -3.0389 -2.7050 -2.7050 0.6713 0.6713 0.6761 0.6761 0.7558 0.7558 0.7601 0.7601 6.3305 6.3305 6.7007 6.7007 6.7223 6.7223 6.7526 6.7526 k = 0.4991-0.4523 0.5003 ( 20951 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7772 -43.7772 -43.7771 -43.7771 -43.7763 -43.7763 -5.5089 -5.5089 -5.4945 -5.4945 -3.2066 -3.2066 -3.1779 -3.1779 -3.0602 -3.0602 -3.0416 -3.0416 -3.0050 -3.0050 -2.6920 -2.6920 0.6502 0.6502 0.6658 0.6658 0.7554 0.7554 0.7692 0.7692 6.2993 6.2993 6.6315 6.6315 6.6626 6.6626 6.7525 6.7525 k = 0.4987-0.4345 0.5003 ( 20949 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7835 -43.7835 -43.7772 -43.7772 -43.7770 -43.7770 -43.7762 -43.7762 -5.5127 -5.5127 -5.4979 -5.4979 -3.2417 -3.2417 -3.1957 -3.1957 -3.0500 -3.0500 -3.0262 -3.0262 -2.9643 -2.9643 -2.6714 -2.6714 0.6208 0.6208 0.6497 0.6497 0.7539 0.7539 0.7787 0.7787 6.2524 6.2524 6.5568 6.5568 6.5765 6.5765 6.7429 6.7429 k = 0.4982-0.4168 0.5003 ( 20963 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7835 -43.7835 -43.7773 -43.7773 -43.7770 -43.7770 -43.7761 -43.7761 -5.5178 -5.5178 -5.5025 -5.5025 -3.2777 -3.2777 -3.2172 -3.2172 -3.0362 -3.0362 -3.0060 -3.0060 -2.9205 -2.9205 -2.6446 -2.6446 0.5851 0.5851 0.6283 0.6283 0.7505 0.7505 0.7870 0.7870 6.1942 6.1942 6.4705 6.4705 6.4873 6.4873 6.7128 6.7128 k = 0.4978-0.3991 0.5003 ( 20953 PWs) bands (ev): -43.7841 -43.7841 -43.7836 -43.7836 -43.7835 -43.7835 -43.7774 -43.7774 -43.7769 -43.7769 -43.7760 -43.7760 -5.5243 -5.5243 -5.5084 -5.5084 -3.3134 -3.3134 -3.2411 -3.2411 -3.0189 -3.0189 -2.9814 -2.9814 -2.8748 -2.8748 -2.6126 -2.6126 0.5441 0.5441 0.6021 0.6021 0.7448 0.7448 0.7935 0.7935 6.1276 6.1276 6.3639 6.3639 6.4137 6.4137 6.6637 6.6637 k = 0.4974-0.3813 0.5003 ( 20937 PWs) bands (ev): -43.7842 -43.7842 -43.7836 -43.7836 -43.7835 -43.7835 -43.7774 -43.7774 -43.7769 -43.7769 -43.7759 -43.7759 -5.5319 -5.5319 -5.5153 -5.5153 -3.3483 -3.3483 -3.2666 -3.2666 -2.9980 -2.9980 -2.9525 -2.9525 -2.8278 -2.8278 -2.5766 -2.5766 0.4980 0.4980 0.5712 0.5712 0.7368 0.7368 0.7982 0.7982 6.0543 6.0543 6.2548 6.2548 6.3440 6.3440 6.6043 6.6043 k = 0.4969-0.3636 0.5003 ( 20931 PWs) bands (ev): -43.7843 -43.7843 -43.7836 -43.7836 -43.7834 -43.7834 -43.7775 -43.7775 -43.7768 -43.7768 -43.7758 -43.7758 -5.5405 -5.5405 -5.5232 -5.5232 -3.3821 -3.3821 -3.2927 -3.2927 -2.9737 -2.9737 -2.9197 -2.9197 -2.7798 -2.7798 -2.5374 -2.5374 0.4473 0.4473 0.5359 0.5359 0.7266 0.7266 0.8011 0.8011 5.9750 5.9750 6.1487 6.1487 6.2774 6.2774 6.5408 6.5408 k = 0.4965-0.3458 0.5003 ( 20931 PWs) bands (ev): -43.7844 -43.7844 -43.7836 -43.7836 -43.7834 -43.7834 -43.7776 -43.7776 -43.7767 -43.7767 -43.7757 -43.7757 -5.5500 -5.5500 -5.5320 -5.5320 -3.4147 -3.4147 -3.3192 -3.3192 -2.9463 -2.9463 -2.8830 -2.8830 -2.7308 -2.7308 -2.4955 -2.4955 0.3921 0.3921 0.4961 0.4961 0.7142 0.7142 0.8024 0.8024 5.8894 5.8894 6.0488 6.0488 6.2141 6.2141 6.4765 6.4765 k = 0.4960-0.3281 0.5003 ( 20931 PWs) bands (ev): -43.7846 -43.7846 -43.7836 -43.7836 -43.7834 -43.7834 -43.7777 -43.7777 -43.7766 -43.7766 -43.7756 -43.7756 -5.5602 -5.5602 -5.5415 -5.5415 -3.4459 -3.4459 -3.3454 -3.3454 -2.9161 -2.9161 -2.8428 -2.8428 -2.6812 -2.6812 -2.4514 -2.4514 0.3327 0.3327 0.4521 0.4521 0.6998 0.6998 0.8023 0.8023 5.7978 5.7978 5.9571 5.9571 6.1543 6.1543 6.4130 6.4130 k = 0.4956-0.3104 0.5003 ( 20914 PWs) bands (ev): -43.7847 -43.7847 -43.7836 -43.7836 -43.7834 -43.7834 -43.7778 -43.7778 -43.7765 -43.7765 -43.7755 -43.7755 -5.5710 -5.5710 -5.5516 -5.5516 -3.4758 -3.4758 -3.3712 -3.3712 -2.8834 -2.8834 -2.7993 -2.7993 -2.6309 -2.6309 -2.4054 -2.4054 0.2695 0.2695 0.4040 0.4040 0.6838 0.6838 0.8008 0.8008 5.7021 5.7021 5.8735 5.8735 6.0980 6.0980 6.3513 6.3513 k = 0.4952-0.2926 0.5003 ( 20912 PWs) bands (ev): -43.7848 -43.7848 -43.7836 -43.7836 -43.7834 -43.7834 -43.7779 -43.7779 -43.7765 -43.7765 -43.7754 -43.7754 -5.5821 -5.5821 -5.5620 -5.5620 -3.5043 -3.5043 -3.3963 -3.3963 -2.8486 -2.8486 -2.7527 -2.7527 -2.5803 -2.5803 -2.3578 -2.3578 0.2026 0.2026 0.3521 0.3521 0.6663 0.6663 0.7982 0.7982 5.6047 5.6047 5.7968 5.7968 6.0452 6.0452 6.2918 6.2918 k = 0.4947-0.2749 0.5003 ( 20926 PWs) bands (ev): -43.7849 -43.7849 -43.7836 -43.7836 -43.7834 -43.7834 -43.7779 -43.7779 -43.7764 -43.7764 -43.7753 -43.7753 -5.5935 -5.5935 -5.5728 -5.5728 -3.5313 -3.5313 -3.4205 -3.4205 -2.8123 -2.8123 -2.7033 -2.7033 -2.5294 -2.5294 -2.3085 -2.3085 0.1325 0.1325 0.2967 0.2967 0.6477 0.6477 0.7945 0.7945 5.5081 5.5081 5.7256 5.7256 5.9961 5.9961 6.2348 6.2348 k = 0.4943-0.2572 0.5003 ( 20924 PWs) bands (ev): -43.7851 -43.7851 -43.7836 -43.7836 -43.7834 -43.7834 -43.7780 -43.7780 -43.7763 -43.7763 -43.7751 -43.7751 -5.6049 -5.6049 -5.5836 -5.5836 -3.5569 -3.5569 -3.4436 -3.4436 -2.7748 -2.7748 -2.6516 -2.6516 -2.4784 -2.4784 -2.2577 -2.2577 0.0592 0.0592 0.2380 0.2380 0.6281 0.6281 0.7898 0.7898 5.4140 5.4140 5.6588 5.6588 5.9505 5.9505 6.1805 6.1805 k = 0.4938-0.2394 0.5003 ( 20920 PWs) bands (ev): -43.7852 -43.7852 -43.7836 -43.7836 -43.7833 -43.7833 -43.7781 -43.7781 -43.7762 -43.7762 -43.7750 -43.7750 -5.6163 -5.6163 -5.5944 -5.5944 -3.5809 -3.5809 -3.4657 -3.4657 -2.7367 -2.7367 -2.5978 -2.5978 -2.4276 -2.4276 -2.2052 -2.2052 -0.0167 -0.0167 0.1766 0.1766 0.6078 0.6078 0.7844 0.7844 5.3235 5.3235 5.5961 5.5961 5.9084 5.9084 6.1292 6.1292 k = 0.4934-0.2217 0.5003 ( 20926 PWs) bands (ev): -43.7853 -43.7853 -43.7836 -43.7836 -43.7833 -43.7833 -43.7781 -43.7781 -43.7761 -43.7761 -43.7749 -43.7749 -5.6275 -5.6275 -5.6051 -5.6051 -3.6033 -3.6033 -3.4865 -3.4865 -2.6984 -2.6984 -2.5426 -2.5426 -2.3771 -2.3771 -2.1510 -2.1510 -0.0952 -0.0952 0.1130 0.1130 0.5870 0.5870 0.7783 0.7783 5.2373 5.2373 5.5372 5.5372 5.8699 5.8699 6.0808 6.0808 k = 0.4929-0.2040 0.5003 ( 20922 PWs) bands (ev): -43.7854 -43.7854 -43.7836 -43.7836 -43.7833 -43.7833 -43.7782 -43.7782 -43.7761 -43.7761 -43.7748 -43.7748 -5.6383 -5.6383 -5.6155 -5.6155 -3.6242 -3.6242 -3.5060 -3.5060 -2.6605 -2.6605 -2.4865 -2.4865 -2.3273 -2.3273 -2.0948 -2.0948 -0.1757 -0.1757 0.0476 0.0476 0.5661 0.5661 0.7718 0.7718 5.1561 5.1561 5.4819 5.4819 5.8347 5.8347 6.0357 6.0357 k = 0.4925-0.1862 0.5003 ( 20914 PWs) bands (ev): -43.7856 -43.7856 -43.7837 -43.7837 -43.7833 -43.7833 -43.7783 -43.7783 -43.7760 -43.7760 -43.7747 -43.7747 -5.6487 -5.6487 -5.6255 -5.6255 -3.6435 -3.6435 -3.5241 -3.5241 -2.6235 -2.6235 -2.4302 -2.4302 -2.2784 -2.2784 -2.0364 -2.0364 -0.2581 -0.2581 -0.0188 -0.0188 0.5452 0.5452 0.7648 0.7648 5.0802 5.0802 5.4304 5.4304 5.8029 5.8029 5.9938 5.9938 k = 0.4921-0.1685 0.5003 ( 20912 PWs) bands (ev): -43.7857 -43.7857 -43.7837 -43.7837 -43.7833 -43.7833 -43.7783 -43.7783 -43.7760 -43.7760 -43.7746 -43.7746 -5.6586 -5.6586 -5.6350 -5.6350 -3.6612 -3.6612 -3.5408 -3.5408 -2.5878 -2.5878 -2.3747 -2.3747 -2.2304 -2.2304 -1.9757 -1.9757 -0.3420 -0.3420 -0.0857 -0.0857 0.5247 0.5247 0.7577 0.7577 5.0099 5.0099 5.3827 5.3827 5.7743 5.7743 5.9553 5.9553 k = 0.4916-0.1508 0.5003 ( 20905 PWs) bands (ev): -43.7858 -43.7858 -43.7837 -43.7837 -43.7833 -43.7833 -43.7784 -43.7784 -43.7759 -43.7759 -43.7745 -43.7745 -5.6678 -5.6678 -5.6439 -5.6439 -3.6773 -3.6773 -3.5561 -3.5561 -2.5540 -2.5540 -2.3209 -2.3209 -2.1834 -2.1834 -1.9125 -1.9125 -0.4271 -0.4271 -0.1522 -0.1522 0.5048 0.5048 0.7505 0.7505 4.9455 4.9455 5.3386 5.3386 5.7489 5.7489 5.9203 5.9203 k = 0.4912-0.1330 0.5003 ( 20894 PWs) bands (ev): -43.7858 -43.7858 -43.7837 -43.7837 -43.7833 -43.7833 -43.7784 -43.7784 -43.7758 -43.7758 -43.7745 -43.7745 -5.6763 -5.6763 -5.6522 -5.6522 -3.6918 -3.6918 -3.5698 -3.5698 -2.5224 -2.5224 -2.2703 -2.2703 -2.1373 -2.1373 -1.8467 -1.8467 -0.5132 -0.5132 -0.2174 -0.2174 0.4858 0.4858 0.7435 0.7435 4.8872 4.8872 5.2984 5.2984 5.7265 5.7265 5.8889 5.8889 k = 0.4907-0.1153 0.5003 ( 20897 PWs) bands (ev): -43.7859 -43.7859 -43.7837 -43.7837 -43.7833 -43.7833 -43.7784 -43.7784 -43.7758 -43.7758 -43.7744 -43.7744 -5.6840 -5.6840 -5.6596 -5.6596 -3.7046 -3.7046 -3.5821 -3.5821 -2.4935 -2.4935 -2.2241 -2.2241 -2.0918 -2.0918 -1.7784 -1.7784 -0.5998 -0.5998 -0.2803 -0.2803 0.4681 0.4681 0.7367 0.7367 4.8351 4.8351 5.2620 5.2620 5.7070 5.7070 5.8614 5.8614 k = 0.4903-0.0975 0.5003 ( 20897 PWs) bands (ev): -43.7860 -43.7860 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7758 -43.7758 -43.7743 -43.7743 -5.6908 -5.6908 -5.6663 -5.6663 -3.7158 -3.7158 -3.5927 -3.5927 -2.4675 -2.4675 -2.1837 -2.1837 -2.0472 -2.0472 -1.7076 -1.7076 -0.6868 -0.6868 -0.3398 -0.3398 0.4518 0.4518 0.7303 0.7303 4.7894 4.7894 5.2295 5.2295 5.6903 5.6903 5.8377 5.8377 k = 0.4899-0.0798 0.5003 ( 20904 PWs) bands (ev): -43.7861 -43.7861 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7743 -43.7743 -5.6967 -5.6967 -5.6720 -5.6720 -3.7253 -3.7253 -3.6018 -3.6018 -2.4449 -2.4449 -2.1498 -2.1498 -2.0044 -2.0044 -1.6345 -1.6345 -0.7736 -0.7736 -0.3944 -0.3944 0.4374 0.4374 0.7246 0.7246 4.7502 4.7502 5.2009 5.2009 5.6762 5.6762 5.8180 5.8180 k = 0.4894-0.0621 0.5003 ( 20909 PWs) bands (ev): -43.7861 -43.7861 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.7016 -5.7016 -5.6768 -5.6768 -3.7331 -3.7331 -3.6093 -3.6093 -2.4258 -2.4258 -2.1227 -2.1227 -1.9646 -1.9646 -1.5594 -1.5594 -0.8600 -0.8600 -0.4427 -0.4427 0.4250 0.4250 0.7195 0.7195 4.7175 4.7175 5.1763 5.1763 5.6648 5.6648 5.8023 5.8023 k = 0.4890-0.0443 0.5003 ( 20901 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.7055 -5.7055 -5.6806 -5.6806 -3.7392 -3.7392 -3.6152 -3.6152 -2.4104 -2.4104 -2.1023 -2.1023 -1.9299 -1.9299 -1.4829 -1.4829 -0.9451 -0.9451 -0.4829 -0.4829 0.4148 0.4148 0.7153 0.7153 4.6914 4.6914 5.1557 5.1557 5.6559 5.6559 5.7909 5.7909 k = 0.4885-0.0266 0.5003 ( 20899 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7786 -43.7786 -43.7757 -43.7757 -43.7741 -43.7741 -5.7083 -5.7083 -5.6835 -5.6835 -3.7437 -3.7437 -3.6194 -3.6194 -2.3990 -2.3990 -2.0887 -2.0887 -1.9020 -1.9020 -1.4062 -1.4062 -1.0278 -1.0278 -0.5135 -0.5135 0.4072 0.4072 0.7120 0.7120 4.6720 4.6720 5.1392 5.1392 5.6495 5.6495 5.7836 5.7836 k = 0.4881-0.0089 0.5003 ( 20904 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7786 -43.7786 -43.7757 -43.7757 -43.7741 -43.7741 -5.7101 -5.7101 -5.6853 -5.6853 -3.7465 -3.7465 -3.6221 -3.6221 -2.3916 -2.3916 -2.0817 -2.0817 -1.8827 -1.8827 -1.3331 -1.3331 -1.1041 -1.1041 -0.5328 -0.5328 0.4022 0.4022 0.7098 0.7098 4.6593 4.6593 5.1267 5.1267 5.6457 5.6457 5.7805 5.7805 k = 0.4877 0.0089 0.5003 ( 20896 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7786 -43.7786 -43.7757 -43.7757 -43.7741 -43.7741 -5.7108 -5.7108 -5.6860 -5.6860 -3.7476 -3.7476 -3.6230 -3.6230 -2.3884 -2.3884 -2.0815 -2.0815 -1.8731 -1.8731 -1.2860 -1.2860 -1.1516 -1.1516 -0.5398 -0.5398 0.3999 0.3999 0.7086 0.7086 4.6533 4.6533 5.1184 5.1184 5.6444 5.6444 5.7815 5.7815 k = 0.4872 0.0266 0.5003 ( 20893 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7741 -43.7741 -5.7105 -5.7105 -5.6857 -5.6857 -3.7471 -3.7471 -3.6224 -3.6224 -2.3894 -2.3894 -2.0880 -2.0880 -1.8738 -1.8738 -1.3175 -1.3175 -1.1176 -1.1176 -0.5339 -0.5339 0.4005 0.4005 0.7086 0.7086 4.6541 4.6541 5.1143 5.1143 5.6459 5.6459 5.7864 5.7864 k = 0.4868 0.0443 0.5003 ( 20889 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7741 -43.7741 -5.7090 -5.7090 -5.6844 -5.6844 -3.7448 -3.7448 -3.6201 -3.6201 -2.3945 -2.3945 -2.1014 -2.1014 -1.8843 -1.8843 -1.3864 -1.3864 -1.0433 -1.0433 -0.5157 -0.5157 0.4037 0.4037 0.7096 0.7096 4.6615 4.6615 5.1144 5.1144 5.6501 5.6501 5.7953 5.7953 k = 0.4863 0.0621 0.5003 ( 20895 PWs) bands (ev): -43.7862 -43.7862 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.7065 -5.7065 -5.6820 -5.6820 -3.7409 -3.7409 -3.6161 -3.6161 -2.4038 -2.4038 -2.1218 -2.1218 -1.9037 -1.9037 -1.4606 -1.4606 -0.9607 -0.9607 -0.4859 -0.4859 0.4097 0.4097 0.7116 0.7116 4.6755 4.6755 5.1188 5.1188 5.6572 5.6572 5.8080 5.8080 k = 0.4859 0.0798 0.5003 ( 20896 PWs) bands (ev): -43.7861 -43.7861 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.7029 -5.7029 -5.6786 -5.6786 -3.7353 -3.7353 -3.6105 -3.6105 -2.4171 -2.4171 -2.1489 -2.1489 -1.9307 -1.9307 -1.5346 -1.5346 -0.8753 -0.8753 -0.4461 -0.4461 0.4182 0.4182 0.7147 0.7147 4.6960 4.6960 5.1276 5.1276 5.6672 5.6672 5.8243 5.8243 k = 0.4855 0.0975 0.5003 ( 20897 PWs) bands (ev): -43.7861 -43.7861 -43.7837 -43.7837 -43.7832 -43.7832 -43.7785 -43.7785 -43.7758 -43.7758 -43.7742 -43.7742 -5.6983 -5.6983 -5.6742 -5.6742 -3.7280 -3.7280 -3.6033 -3.6033 -2.4343 -2.4343 -2.1826 -2.1826 -1.9637 -1.9637 -1.6067 -1.6067 -0.7886 -0.7886 -0.3981 -0.3981 0.4290 0.4290 0.7186 0.7186 4.7231 4.7231 5.1408 5.1408 5.6804 5.6804 5.8442 5.8442 k = 0.4850 0.1153 0.5003 ( 20893 PWs) bands (ev): -43.7860 -43.7860 -43.7837 -43.7837 -43.7832 -43.7832 -43.7784 -43.7784 -43.7758 -43.7758 -43.7743 -43.7743 -5.6928 -5.6928 -5.6689 -5.6689 -3.7190 -3.7190 -3.5945 -3.5945 -2.4552 -2.4552 -2.2222 -2.2222 -2.0016 -2.0016 -1.6763 -1.6763 -0.7013 -0.7013 -0.3433 -0.3433 0.4419 0.4419 0.7233 0.7233 4.7564 4.7564 5.1585 5.1585 5.6967 5.6967 5.8676 5.8676 k = 0.4846 0.1330 0.5003 ( 20894 PWs) bands (ev): -43.7859 -43.7859 -43.7837 -43.7837 -43.7832 -43.7832 -43.7784 -43.7784 -43.7758 -43.7758 -43.7744 -43.7744 -5.6862 -5.6862 -5.6626 -5.6626 -3.7084 -3.7084 -3.5840 -3.5840 -2.4796 -2.4796 -2.2670 -2.2670 -2.0435 -2.0435 -1.7431 -1.7431 -0.6139 -0.6139 -0.2835 -0.2835 0.4567 0.4567 0.7286 0.7286 4.7959 4.7959 5.1808 5.1808 5.7162 5.7162 5.8943 5.8943 k = 0.4841 0.1508 0.5003 ( 20900 PWs) bands (ev): -43.7859 -43.7859 -43.7837 -43.7837 -43.7832 -43.7832 -43.7784 -43.7784 -43.7759 -43.7759 -43.7744 -43.7744 -5.6789 -5.6789 -5.6555 -5.6555 -3.6961 -3.6961 -3.5719 -3.5719 -2.5073 -2.5073 -2.3160 -2.3160 -2.0886 -2.0886 -1.8068 -1.8068 -0.5268 -0.5268 -0.2201 -0.2201 0.4730 0.4730 0.7345 0.7345 4.8414 4.8414 5.2079 5.2079 5.7389 5.7389 5.9244 5.9244 k = 0.4837 0.1685 0.5003 ( 20899 PWs) bands (ev): -43.7858 -43.7858 -43.7837 -43.7837 -43.7832 -43.7832 -43.7783 -43.7783 -43.7759 -43.7759 -43.7745 -43.7745 -5.6706 -5.6706 -5.6476 -5.6476 -3.6821 -3.6821 -3.5582 -3.5582 -2.5380 -2.5380 -2.3682 -2.3682 -2.1364 -2.1364 -1.8675 -1.8675 -0.4402 -0.4402 -0.1541 -0.1541 0.4905 0.4905 0.7407 0.7407 4.8925 4.8925 5.2399 5.2399 5.7650 5.7650 5.9577 5.9577 k = 0.4833 0.1862 0.5003 ( 20909 PWs) bands (ev): -43.7857 -43.7857 -43.7837 -43.7837 -43.7832 -43.7832 -43.7782 -43.7782 -43.7760 -43.7760 -43.7746 -43.7746 -5.6617 -5.6617 -5.6390 -5.6390 -3.6666 -3.6666 -3.5430 -3.5430 -2.5712 -2.5712 -2.4226 -2.4226 -2.1863 -2.1863 -1.9255 -1.9255 -0.3545 -0.3545 -0.0867 -0.0867 0.5090 0.5090 0.7470 0.7470 4.9489 4.9489 5.2770 5.2770 5.7944 5.7944 5.9942 5.9942 k = 0.4828 0.2040 0.5003 ( 20914 PWs) bands (ev): -43.7856 -43.7856 -43.7837 -43.7837 -43.7833 -43.7833 -43.7782 -43.7782 -43.7760 -43.7760 -43.7747 -43.7747 -5.6521 -5.6521 -5.6298 -5.6298 -3.6494 -3.6494 -3.5262 -3.5262 -2.6067 -2.6067 -2.4783 -2.4783 -2.2379 -2.2379 -1.9811 -1.9811 -0.2700 -0.2700 -0.0187 -0.0187 0.5281 0.5281 0.7534 0.7534 5.0103 5.0103 5.3195 5.3195 5.8271 5.8271 6.0338 6.0338 k = 0.4824 0.2217 0.5003 ( 20914 PWs) bands (ev): -43.7855 -43.7855 -43.7837 -43.7837 -43.7833 -43.7833 -43.7781 -43.7781 -43.7761 -43.7761 -43.7748 -43.7748 -5.6419 -5.6419 -5.6200 -5.6200 -3.6305 -3.6305 -3.5078 -3.5078 -2.6441 -2.6441 -2.5343 -2.5343 -2.2905 -2.2905 -2.0346 -2.0346 -0.1870 -0.1870 0.0490 0.0490 0.5475 0.5475 0.7597 0.7597 5.0759 5.0759 5.3677 5.3677 5.8632 5.8632 6.0764 6.0764 k = 0.4819 0.2394 0.5003 ( 20916 PWs) bands (ev): -43.7854 -43.7854 -43.7837 -43.7837 -43.7833 -43.7833 -43.7781 -43.7781 -43.7762 -43.7762 -43.7749 -43.7749 -5.6312 -5.6312 -5.6098 -5.6098 -3.6101 -3.6101 -3.4880 -3.4880 -2.6829 -2.6829 -2.5898 -2.5898 -2.3438 -2.3438 -2.0864 -2.0864 -0.1058 -0.1058 0.1158 0.1158 0.5669 0.5669 0.7657 0.7657 5.1452 5.1452 5.4221 5.4221 5.9026 5.9026 6.1219 6.1219 k = 0.4815 0.2572 0.5003 ( 20926 PWs) bands (ev): -43.7852 -43.7852 -43.7837 -43.7837 -43.7833 -43.7833 -43.7780 -43.7780 -43.7762 -43.7762 -43.7750 -43.7750 -5.6203 -5.6203 -5.5992 -5.5992 -3.5881 -3.5881 -3.4668 -3.4668 -2.7227 -2.7227 -2.6443 -2.6443 -2.3972 -2.3972 -2.1368 -2.1368 -0.0267 -0.0267 0.1810 0.1810 0.5860 0.5860 0.7712 0.7712 5.2173 5.2173 5.4832 5.4832 5.9453 5.9453 6.1704 6.1704 k = 0.4810 0.2749 0.5003 ( 20918 PWs) bands (ev): -43.7851 -43.7851 -43.7837 -43.7837 -43.7833 -43.7833 -43.7779 -43.7779 -43.7763 -43.7763 -43.7751 -43.7751 -5.6090 -5.6090 -5.5885 -5.5885 -3.5646 -3.5646 -3.4441 -3.4441 -2.7633 -2.7633 -2.6969 -2.6969 -2.4506 -2.4506 -2.1860 -2.1860 0.0500 0.0500 0.2441 0.2441 0.6046 0.6046 0.7762 0.7762 5.2914 5.2914 5.5516 5.5516 5.9913 5.9913 6.2216 6.2216 k = 0.4806 0.2926 0.5003 ( 20916 PWs) bands (ev): -43.7850 -43.7850 -43.7837 -43.7837 -43.7833 -43.7833 -43.7779 -43.7779 -43.7764 -43.7764 -43.7752 -43.7752 -5.5977 -5.5977 -5.5777 -5.5777 -3.5395 -3.5395 -3.4200 -3.4200 -2.8043 -2.8043 -2.7469 -2.7469 -2.5036 -2.5036 -2.2342 -2.2342 0.1240 0.1240 0.3046 0.3046 0.6223 0.6223 0.7805 0.7805 5.3667 5.3667 5.6275 5.6275 6.0406 6.0406 6.2756 6.2756 k = 0.4802 0.3104 0.5003 ( 20927 PWs) bands (ev): -43.7849 -43.7849 -43.7837 -43.7837 -43.7833 -43.7833 -43.7778 -43.7778 -43.7765 -43.7765 -43.7753 -43.7753 -5.5865 -5.5865 -5.5669 -5.5669 -3.5129 -3.5129 -3.3947 -3.3947 -2.8454 -2.8454 -2.7938 -2.7938 -2.5562 -2.5562 -2.2813 -2.2813 0.1950 0.1950 0.3621 0.3621 0.6390 0.6390 0.7839 0.7839 5.4426 5.4426 5.7111 5.7111 6.0930 6.0930 6.3321 6.3321 k = 0.4797 0.3281 0.5003 ( 20928 PWs) bands (ev): -43.7847 -43.7847 -43.7837 -43.7837 -43.7834 -43.7834 -43.7777 -43.7777 -43.7766 -43.7766 -43.7755 -43.7755 -5.5754 -5.5754 -5.5564 -5.5564 -3.4848 -3.4848 -3.3682 -3.3682 -2.8864 -2.8864 -2.8369 -2.8369 -2.6081 -2.6081 -2.3275 -2.3275 0.2626 0.2626 0.4161 0.4161 0.6545 0.6545 0.7864 0.7864 5.5187 5.5187 5.8022 5.8022 6.1484 6.1484 6.3910 6.3910 k = 0.4793 0.3458 0.5003 ( 20931 PWs) bands (ev): -43.7846 -43.7846 -43.7837 -43.7837 -43.7834 -43.7834 -43.7776 -43.7776 -43.7767 -43.7767 -43.7756 -43.7756 -5.5648 -5.5648 -5.5462 -5.5462 -3.4553 -3.4553 -3.3406 -3.3406 -2.9267 -2.9267 -2.8761 -2.8761 -2.6592 -2.6592 -2.3725 -2.3725 0.3267 0.3267 0.4664 0.4664 0.6684 0.6684 0.7877 0.7877 5.5949 5.5949 5.9001 5.9001 6.2067 6.2067 6.4522 6.4522 k = 0.4788 0.3636 0.5003 ( 20935 PWs) bands (ev): -43.7845 -43.7845 -43.7836 -43.7836 -43.7834 -43.7834 -43.7775 -43.7775 -43.7767 -43.7767 -43.7757 -43.7757 -5.5546 -5.5546 -5.5365 -5.5365 -3.4244 -3.4244 -3.3121 -3.3121 -2.9656 -2.9656 -2.9112 -2.9112 -2.7096 -2.7096 -2.4162 -2.4162 0.3868 0.3868 0.5125 0.5125 0.6808 0.6808 0.7879 0.7879 5.6713 5.6713 6.0040 6.0040 6.2678 6.2678 6.5152 6.5152 k = 0.4784 0.3813 0.5003 ( 20927 PWs) bands (ev): -43.7844 -43.7844 -43.7836 -43.7836 -43.7834 -43.7834 -43.7775 -43.7775 -43.7768 -43.7768 -43.7758 -43.7758 -5.5451 -5.5451 -5.5275 -5.5275 -3.3922 -3.3922 -3.2829 -3.2829 -3.0024 -3.0024 -2.9424 -2.9424 -2.7591 -2.7591 -2.4585 -2.4585 0.4427 0.4427 0.5542 0.5542 0.6914 0.6914 0.7867 0.7867 5.7478 5.7478 6.1126 6.1126 6.3314 6.3314 6.5798 6.5798 k = 0.4780 0.3991 0.5003 ( 20919 PWs) bands (ev): -43.7843 -43.7843 -43.7836 -43.7836 -43.7834 -43.7834 -43.7774 -43.7774 -43.7769 -43.7769 -43.7759 -43.7759 -5.5364 -5.5364 -5.5193 -5.5193 -3.3587 -3.3587 -3.2534 -3.2534 -3.0363 -3.0363 -2.9694 -2.9694 -2.8076 -2.8076 -2.4990 -2.4990 0.4941 0.4941 0.5910 0.5910 0.7004 0.7004 0.7840 0.7840 5.8242 5.8242 6.2247 6.2247 6.3971 6.3971 6.6450 6.6450 k = 0.4775 0.4168 0.5003 ( 20940 PWs) bands (ev): -43.7842 -43.7842 -43.7836 -43.7836 -43.7835 -43.7835 -43.7773 -43.7773 -43.7769 -43.7769 -43.7760 -43.7760 -5.5287 -5.5287 -5.5120 -5.5120 -3.3240 -3.3240 -3.2243 -3.2243 -3.0668 -3.0668 -2.9921 -2.9921 -2.8550 -2.8550 -2.5374 -2.5374 0.5407 0.5407 0.6222 0.6222 0.7083 0.7083 0.7796 0.7796 5.9002 5.9002 6.3385 6.3385 6.4647 6.4647 6.7098 6.7098 k = 0.4771 0.4345 0.5003 ( 20944 PWs) bands (ev): -43.7841 -43.7841 -43.7836 -43.7836 -43.7835 -43.7835 -43.7772 -43.7772 -43.7770 -43.7770 -43.7761 -43.7761 -5.5221 -5.5221 -5.5058 -5.5058 -3.2885 -3.2885 -3.1972 -3.1972 -3.0925 -3.0925 -3.0101 -3.0101 -2.9011 -2.9011 -2.5732 -2.5732 0.5823 0.5823 0.6467 0.6467 0.7161 0.7161 0.7734 0.7734 5.9752 5.9752 6.4516 6.4516 6.5333 6.5333 6.7700 6.7700 k = 0.4766 0.4523 0.5003 ( 20945 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7835 -43.7835 -43.7772 -43.7772 -43.7770 -43.7770 -43.7762 -43.7762 -5.5168 -5.5168 -5.5009 -5.5009 -3.2524 -3.2524 -3.1766 -3.1766 -3.1099 -3.1099 -3.0225 -3.0225 -2.9455 -2.9455 -2.6060 -2.6060 0.6183 0.6183 0.6626 0.6626 0.7254 0.7254 0.7656 0.7656 6.0482 6.0482 6.5599 6.5599 6.6019 6.6019 6.7941 6.7941 k = 0.4762 0.4700 0.5003 ( 20943 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7762 -43.7762 -5.5127 -5.5127 -5.4972 -5.4972 -3.2165 -3.2165 -3.1724 -3.1724 -3.1107 -3.1107 -3.0281 -3.0281 -2.9874 -2.9874 -2.6349 -2.6349 0.6478 0.6478 0.6694 0.6694 0.7369 0.7369 0.7568 0.7568 6.1179 6.1179 6.6551 6.6551 6.6681 6.6681 6.7712 6.7712 k = 0.4758 0.4877 0.5003 ( 20927 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5101 -5.5101 -5.4949 -5.4949 -3.1852 -3.1852 -3.1812 -3.1812 -3.0995 -3.0995 -3.0262 -3.0262 -3.0226 -3.0226 -2.6590 -2.6590 0.6680 0.6680 0.6687 0.6687 0.7488 0.7488 0.7495 0.7495 6.1826 6.1826 6.7147 6.7147 6.7184 6.7184 6.7433 6.7433 k = 0.4758 0.4877 0.5003 ( 20927 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5101 -5.5101 -5.4949 -5.4949 -3.1852 -3.1852 -3.1812 -3.1812 -3.0995 -3.0995 -3.0262 -3.0262 -3.0226 -3.0226 -2.6590 -2.6590 0.6680 0.6680 0.6687 0.6687 0.7488 0.7488 0.7495 0.7495 6.1826 6.1826 6.7147 6.7147 6.7184 6.7184 6.7433 6.7433 k = 0.4658 0.4776 0.4899 ( 20957 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7762 -43.7762 -5.5140 -5.5140 -5.4985 -5.4985 -3.2002 -3.2002 -3.1962 -3.1962 -3.1223 -3.1223 -3.0030 -3.0030 -2.9994 -2.9994 -2.6166 -2.6166 0.6571 0.6571 0.6579 0.6579 0.7421 0.7421 0.7428 0.7428 6.0665 6.0665 6.6773 6.6773 6.6798 6.6798 6.7180 6.7180 k = 0.4559 0.4674 0.4795 ( 20933 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7762 -43.7762 -5.5187 -5.5187 -5.5036 -5.5036 -3.2155 -3.2155 -3.2115 -3.2115 -3.1460 -3.1460 -2.9767 -2.9767 -2.9730 -2.9730 -2.5667 -2.5667 0.6427 0.6427 0.6435 0.6435 0.7330 0.7330 0.7337 0.7337 5.9409 5.9409 6.6159 6.6159 6.6178 6.6178 6.6833 6.6833 k = 0.4460 0.4572 0.4690 ( 20933 PWs) bands (ev): -43.7842 -43.7842 -43.7835 -43.7835 -43.7835 -43.7835 -43.7771 -43.7771 -43.7771 -43.7771 -43.7761 -43.7761 -5.5244 -5.5244 -5.5103 -5.5103 -3.2302 -3.2302 -3.2263 -3.2263 -3.1683 -3.1683 -2.9482 -2.9482 -2.9445 -2.9445 -2.5119 -2.5119 0.6251 0.6251 0.6259 0.6259 0.7215 0.7215 0.7222 0.7222 5.8114 5.8114 6.5387 6.5387 6.5404 6.5404 6.6410 6.6410 k = 0.4361 0.4471 0.4586 ( 20927 PWs) bands (ev): -43.7843 -43.7843 -43.7835 -43.7835 -43.7835 -43.7835 -43.7771 -43.7771 -43.7771 -43.7771 -43.7760 -43.7760 -5.5316 -5.5316 -5.5180 -5.5180 -3.2441 -3.2441 -3.2402 -3.2402 -3.1879 -3.1879 -2.9179 -2.9179 -2.9141 -2.9141 -2.4536 -2.4536 0.6043 0.6043 0.6052 0.6052 0.7075 0.7075 0.7082 0.7082 5.6816 5.6816 6.4538 6.4538 6.4554 6.4554 6.5922 6.5922 k = 0.4262 0.4369 0.4482 ( 20897 PWs) bands (ev): -43.7844 -43.7844 -43.7835 -43.7835 -43.7835 -43.7835 -43.7771 -43.7771 -43.7771 -43.7771 -43.7759 -43.7759 -5.5418 -5.5418 -5.5251 -5.5251 -3.2568 -3.2568 -3.2529 -3.2529 -3.2037 -3.2037 -2.8860 -2.8860 -2.8822 -2.8822 -2.3932 -2.3932 0.5804 0.5804 0.5814 0.5814 0.6910 0.6910 0.6918 0.6918 5.5536 5.5536 6.3658 6.3658 6.3674 6.3674 6.5379 6.5379 k = 0.4163 0.4268 0.4378 ( 20876 PWs) bands (ev): -43.7846 -43.7846 -43.7835 -43.7835 -43.7835 -43.7835 -43.7771 -43.7771 -43.7770 -43.7770 -43.7758 -43.7758 -5.5556 -5.5556 -5.5309 -5.5309 -3.2682 -3.2682 -3.2643 -3.2643 -3.2153 -3.2153 -2.8526 -2.8526 -2.8488 -2.8488 -2.3316 -2.3316 0.5537 0.5537 0.5547 0.5547 0.6722 0.6722 0.6729 0.6729 5.4289 5.4289 6.2771 6.2771 6.2787 6.2787 6.4789 6.4789 k = 0.4064 0.4166 0.4274 ( 20882 PWs) bands (ev): -43.7848 -43.7848 -43.7835 -43.7835 -43.7835 -43.7835 -43.7770 -43.7770 -43.7770 -43.7770 -43.7757 -43.7757 -5.5728 -5.5728 -5.5356 -5.5356 -3.2782 -3.2782 -3.2744 -3.2744 -3.2221 -3.2221 -2.8180 -2.8180 -2.8142 -2.8142 -2.2694 -2.2694 0.5242 0.5242 0.5252 0.5252 0.6511 0.6511 0.6518 0.6518 5.3086 5.3086 6.1890 6.1890 6.1906 6.1906 6.4159 6.4159 k = 0.3965 0.4064 0.4169 ( 20897 PWs) bands (ev): -43.7849 -43.7849 -43.7834 -43.7834 -43.7834 -43.7834 -43.7770 -43.7770 -43.7770 -43.7770 -43.7756 -43.7756 -5.5930 -5.5930 -5.5393 -5.5393 -3.2868 -3.2868 -3.2830 -3.2830 -3.2241 -3.2241 -2.7823 -2.7823 -2.7784 -2.7784 -2.2074 -2.2074 0.4920 0.4920 0.4930 0.4930 0.6278 0.6278 0.6285 0.6285 5.1937 5.1937 6.1025 6.1025 6.1040 6.1040 6.3498 6.3498 k = 0.3866 0.3963 0.4065 ( 20897 PWs) bands (ev): -43.7851 -43.7851 -43.7834 -43.7834 -43.7834 -43.7834 -43.7770 -43.7770 -43.7770 -43.7770 -43.7755 -43.7755 -5.6158 -5.6158 -5.5423 -5.5423 -3.2940 -3.2940 -3.2901 -3.2901 -3.2210 -3.2210 -2.7454 -2.7454 -2.7415 -2.7415 -2.1462 -2.1462 0.4571 0.4571 0.4582 0.4582 0.6024 0.6024 0.6032 0.6032 5.0849 5.0849 6.0180 6.0180 6.0195 6.0195 6.2813 6.2813 k = 0.3766 0.3861 0.3961 ( 20902 PWs) bands (ev): -43.7853 -43.7853 -43.7834 -43.7834 -43.7834 -43.7834 -43.7770 -43.7770 -43.7770 -43.7770 -43.7753 -43.7753 -5.6412 -5.6412 -5.5443 -5.5443 -3.2996 -3.2996 -3.2957 -3.2957 -3.2131 -3.2131 -2.7075 -2.7075 -2.7036 -2.7036 -2.0863 -2.0863 0.4196 0.4196 0.4208 0.4208 0.5753 0.5753 0.5761 0.5761 4.9829 4.9829 5.9360 5.9360 5.9375 5.9375 6.2111 6.2111 k = 0.3667 0.3760 0.3857 ( 20914 PWs) bands (ev): -43.7856 -43.7856 -43.7834 -43.7834 -43.7833 -43.7833 -43.7770 -43.7770 -43.7770 -43.7770 -43.7752 -43.7752 -5.6690 -5.6690 -5.5455 -5.5455 -3.3037 -3.3037 -3.2998 -3.2998 -3.2003 -3.2003 -2.6687 -2.6687 -2.6648 -2.6648 -2.0283 -2.0283 0.3797 0.3797 0.3808 0.3808 0.5464 0.5464 0.5473 0.5473 4.8882 4.8882 5.8569 5.8569 5.8584 5.8584 6.1397 6.1397 k = 0.3568 0.3658 0.3752 ( 20911 PWs) bands (ev): -43.7858 -43.7858 -43.7833 -43.7833 -43.7833 -43.7833 -43.7770 -43.7770 -43.7770 -43.7770 -43.7751 -43.7751 -5.6988 -5.6988 -5.5457 -5.5457 -3.3062 -3.3062 -3.3024 -3.3024 -3.1829 -3.1829 -2.6290 -2.6290 -2.6251 -2.6251 -1.9726 -1.9726 0.3372 0.3372 0.3384 0.3384 0.5162 0.5162 0.5171 0.5171 4.8014 4.8014 5.7810 5.7810 5.7824 5.7824 6.0678 6.0678 k = 0.3469 0.3556 0.3648 ( 20923 PWs) bands (ev): -43.7860 -43.7860 -43.7833 -43.7833 -43.7833 -43.7833 -43.7770 -43.7770 -43.7770 -43.7770 -43.7750 -43.7750 -5.7304 -5.7304 -5.5448 -5.5448 -3.3072 -3.3072 -3.3033 -3.3033 -3.1611 -3.1611 -2.5885 -2.5885 -2.5845 -2.5845 -1.9196 -1.9196 0.2924 0.2924 0.2936 0.2936 0.4846 0.4846 0.4856 0.4856 4.7229 4.7229 5.7084 5.7084 5.7098 5.7098 5.9957 5.9957 k = 0.3370 0.3455 0.3544 ( 20941 PWs) bands (ev): -43.7862 -43.7862 -43.7832 -43.7832 -43.7832 -43.7832 -43.7770 -43.7770 -43.7770 -43.7770 -43.7748 -43.7748 -5.7637 -5.7637 -5.5429 -5.5429 -3.3066 -3.3066 -3.3028 -3.3028 -3.1352 -3.1352 -2.5473 -2.5473 -2.5433 -2.5433 -1.8699 -1.8699 0.2453 0.2453 0.2465 0.2465 0.4520 0.4520 0.4530 0.4530 4.6532 4.6532 5.6394 5.6394 5.6407 5.6407 5.9238 5.9238 k = 0.3271 0.3353 0.3440 ( 20935 PWs) bands (ev): -43.7865 -43.7865 -43.7832 -43.7832 -43.7832 -43.7832 -43.7770 -43.7770 -43.7770 -43.7770 -43.7747 -43.7747 -5.7983 -5.7983 -5.5399 -5.5399 -3.3044 -3.3044 -3.3006 -3.3006 -3.1054 -3.1054 -2.5054 -2.5054 -2.5014 -2.5014 -1.8237 -1.8237 0.1959 0.1959 0.1972 0.1972 0.4186 0.4186 0.4196 0.4196 4.5927 4.5927 5.5741 5.5741 5.5754 5.5754 5.8525 5.8525 k = 0.3172 0.3252 0.3335 ( 20938 PWs) bands (ev): -43.7867 -43.7867 -43.7832 -43.7832 -43.7831 -43.7831 -43.7770 -43.7770 -43.7770 -43.7770 -43.7746 -43.7746 -5.8340 -5.8340 -5.5358 -5.5358 -3.3007 -3.3007 -3.2969 -3.2969 -3.0723 -3.0723 -2.4629 -2.4629 -2.4589 -2.4589 -1.7814 -1.7814 0.1444 0.1444 0.1457 0.1457 0.3845 0.3845 0.3855 0.3855 4.5416 4.5416 5.5126 5.5126 5.5139 5.5139 5.7820 5.7820 k = 0.3073 0.3150 0.3231 ( 20944 PWs) bands (ev): -43.7869 -43.7869 -43.7831 -43.7831 -43.7831 -43.7831 -43.7770 -43.7770 -43.7770 -43.7770 -43.7745 -43.7745 -5.8706 -5.8706 -5.5306 -5.5306 -3.2954 -3.2954 -3.2916 -3.2916 -3.0361 -3.0361 -2.4200 -2.4200 -2.4159 -2.4159 -1.7432 -1.7432 0.0909 0.0909 0.0922 0.0922 0.3498 0.3498 0.3510 0.3510 4.5003 4.5003 5.4551 5.4551 5.4564 5.4564 5.7125 5.7125 k = 0.2973 0.3048 0.3127 ( 20944 PWs) bands (ev): -43.7872 -43.7872 -43.7831 -43.7831 -43.7831 -43.7831 -43.7769 -43.7769 -43.7769 -43.7769 -43.7743 -43.7743 -5.9078 -5.9078 -5.5242 -5.5242 -3.2885 -3.2885 -3.2847 -3.2847 -2.9971 -2.9971 -2.3766 -2.3766 -2.3726 -2.3726 -1.7093 -1.7093 0.0355 0.0355 0.0368 0.0368 0.3149 0.3149 0.3160 0.3160 4.4689 4.4689 5.4017 5.4017 5.4029 5.4029 5.6441 5.6441 k = 0.2874 0.2947 0.3023 ( 20950 PWs) bands (ev): -43.7874 -43.7874 -43.7830 -43.7830 -43.7830 -43.7830 -43.7769 -43.7769 -43.7769 -43.7769 -43.7742 -43.7742 -5.9454 -5.9454 -5.5166 -5.5166 -3.2801 -3.2801 -3.2763 -3.2763 -2.9560 -2.9560 -2.3330 -2.3330 -2.3289 -2.3289 -1.6796 -1.6796 -0.0216 -0.0216 -0.0204 -0.0204 0.2797 0.2797 0.2809 0.2809 4.4475 4.4475 5.3524 5.3524 5.3536 5.3536 5.5770 5.5770 k = 0.2775 0.2845 0.2919 ( 20944 PWs) bands (ev): -43.7877 -43.7877 -43.7830 -43.7830 -43.7829 -43.7829 -43.7769 -43.7769 -43.7769 -43.7769 -43.7741 -43.7741 -5.9832 -5.9832 -5.5079 -5.5079 -3.2702 -3.2702 -3.2663 -3.2663 -2.9131 -2.9131 -2.2891 -2.2891 -2.2850 -2.2850 -1.6543 -1.6543 -0.0804 -0.0804 -0.0791 -0.0791 0.2445 0.2445 0.2457 0.2457 4.4361 4.4361 5.3073 5.3073 5.3085 5.3085 5.5113 5.5113 k = 0.2676 0.2743 0.2814 ( 20953 PWs) bands (ev): -43.7879 -43.7879 -43.7829 -43.7829 -43.7829 -43.7829 -43.7769 -43.7769 -43.7769 -43.7769 -43.7740 -43.7740 -6.0209 -6.0209 -5.4981 -5.4981 -3.2587 -3.2587 -3.2548 -3.2548 -2.8688 -2.8688 -2.2451 -2.2451 -2.2409 -2.2409 -1.6332 -1.6332 -0.1405 -0.1405 -0.1392 -0.1392 0.2093 0.2093 0.2106 0.2106 4.4346 4.4346 5.2665 5.2665 5.2676 5.2676 5.4471 5.4471 k = 0.2577 0.2642 0.2710 ( 20950 PWs) bands (ev): -43.7881 -43.7881 -43.7828 -43.7828 -43.7828 -43.7828 -43.7769 -43.7769 -43.7769 -43.7769 -43.7739 -43.7739 -6.0584 -6.0584 -5.4872 -5.4872 -3.2457 -3.2457 -3.2418 -3.2418 -2.8238 -2.8238 -2.2010 -2.2010 -2.1969 -2.1969 -1.6159 -1.6159 -0.2019 -0.2019 -0.2006 -0.2006 0.1743 0.1743 0.1756 0.1756 4.4428 4.4428 5.2300 5.2300 5.2311 5.2311 5.3844 5.3844 k = 0.2478 0.2540 0.2606 ( 20917 PWs) bands (ev): -43.7883 -43.7883 -43.7828 -43.7828 -43.7828 -43.7828 -43.7769 -43.7769 -43.7769 -43.7769 -43.7738 -43.7738 -6.0955 -6.0955 -5.4752 -5.4752 -3.2312 -3.2312 -3.2274 -3.2274 -2.7785 -2.7785 -2.1571 -2.1571 -2.1529 -2.1529 -1.6020 -1.6020 -0.2644 -0.2644 -0.2631 -0.2631 0.1396 0.1396 0.1409 0.1409 4.4603 4.4603 5.1978 5.1978 5.1989 5.1989 5.3233 5.3233 k = 0.2379 0.2439 0.2502 ( 20923 PWs) bands (ev): -43.7886 -43.7886 -43.7827 -43.7827 -43.7827 -43.7827 -43.7769 -43.7769 -43.7769 -43.7769 -43.7737 -43.7737 -6.1321 -6.1321 -5.4621 -5.4621 -3.2153 -3.2153 -3.2114 -3.2114 -2.7337 -2.7337 -2.1133 -2.1133 -2.1091 -2.1091 -1.5911 -1.5911 -0.3278 -0.3278 -0.3264 -0.3264 0.1051 0.1051 0.1065 0.1065 4.4867 4.4867 5.1700 5.1700 5.1710 5.1710 5.2639 5.2639 k = 0.2280 0.2337 0.2397 ( 20905 PWs) bands (ev): -43.7888 -43.7888 -43.7827 -43.7827 -43.7826 -43.7826 -43.7769 -43.7769 -43.7769 -43.7769 -43.7736 -43.7736 -6.1680 -6.1680 -5.4482 -5.4482 -3.1979 -3.1979 -3.1940 -3.1940 -2.6900 -2.6900 -2.0698 -2.0698 -2.0656 -2.0656 -1.5824 -1.5824 -0.3918 -0.3918 -0.3904 -0.3904 0.0712 0.0712 0.0725 0.0725 4.5215 4.5215 5.1465 5.1465 5.1475 5.1475 5.2061 5.2061 k = 0.2181 0.2235 0.2293 ( 20884 PWs) bands (ev): -43.7890 -43.7890 -43.7826 -43.7826 -43.7826 -43.7826 -43.7769 -43.7769 -43.7769 -43.7769 -43.7735 -43.7735 -6.2031 -6.2031 -5.4332 -5.4332 -3.1792 -3.1792 -3.1753 -3.1753 -2.6481 -2.6481 -2.0268 -2.0268 -2.0225 -2.0225 -1.5752 -1.5752 -0.4562 -0.4562 -0.4548 -0.4548 0.0377 0.0377 0.0390 0.0390 4.5639 4.5639 5.1274 5.1274 5.1284 5.1284 5.1501 5.1501 k = 0.2081 0.2134 0.2189 ( 20938 PWs) bands (ev): -43.7892 -43.7892 -43.7825 -43.7825 -43.7825 -43.7825 -43.7769 -43.7769 -43.7769 -43.7769 -43.7734 -43.7734 -6.2373 -6.2373 -5.4175 -5.4175 -3.1591 -3.1591 -3.1552 -3.1552 -2.6089 -2.6089 -1.9843 -1.9843 -1.9800 -1.9800 -1.5686 -1.5686 -0.5209 -0.5209 -0.5195 -0.5195 0.0048 0.0048 0.0061 0.0061 4.6131 4.6131 5.0959 5.0959 5.1127 5.1127 5.1137 5.1137 k = 0.1982 0.2032 0.2085 ( 20920 PWs) bands (ev): -43.7894 -43.7894 -43.7825 -43.7825 -43.7825 -43.7825 -43.7769 -43.7769 -43.7769 -43.7769 -43.7733 -43.7733 -6.2704 -6.2704 -5.4010 -5.4010 -3.1377 -3.1377 -3.1337 -3.1337 -2.5732 -2.5732 -1.9425 -1.9425 -1.9382 -1.9382 -1.5615 -1.5615 -0.5856 -0.5856 -0.5842 -0.5842 -0.0275 -0.0275 -0.0262 -0.0262 4.6682 4.6682 5.0436 5.0436 5.1024 5.1024 5.1033 5.1033 k = 0.1883 0.1931 0.1980 ( 20944 PWs) bands (ev): -43.7896 -43.7896 -43.7824 -43.7824 -43.7824 -43.7824 -43.7770 -43.7770 -43.7769 -43.7769 -43.7732 -43.7732 -6.3024 -6.3024 -5.3838 -5.3838 -3.1151 -3.1151 -3.1111 -3.1111 -2.5417 -2.5417 -1.9016 -1.9016 -1.8972 -1.8972 -1.5532 -1.5532 -0.6501 -0.6501 -0.6486 -0.6486 -0.0591 -0.0591 -0.0578 -0.0578 4.7277 4.7277 4.9936 4.9936 5.0963 5.0963 5.0973 5.0973 k = 0.1784 0.1829 0.1876 ( 20935 PWs) bands (ev): -43.7898 -43.7898 -43.7823 -43.7823 -43.7823 -43.7823 -43.7770 -43.7770 -43.7770 -43.7770 -43.7731 -43.7731 -6.3332 -6.3332 -5.3661 -5.3661 -3.0913 -3.0913 -3.0873 -3.0873 -2.5152 -2.5152 -1.8617 -1.8617 -1.8573 -1.8573 -1.5426 -1.5426 -0.7141 -0.7141 -0.7126 -0.7126 -0.0899 -0.0899 -0.0886 -0.0886 4.7894 4.7894 4.9472 4.9472 5.0946 5.0946 5.0955 5.0955 k = 0.1685 0.1727 0.1772 ( 20929 PWs) bands (ev): -43.7900 -43.7900 -43.7823 -43.7823 -43.7823 -43.7823 -43.7770 -43.7770 -43.7770 -43.7770 -43.7730 -43.7730 -6.3627 -6.3626 -5.3479 -5.3479 -3.0664 -3.0664 -3.0624 -3.0624 -2.4943 -2.4943 -1.8230 -1.8230 -1.8186 -1.8186 -1.5290 -1.5290 -0.7773 -0.7773 -0.7757 -0.7757 -0.1198 -0.1198 -0.1186 -0.1186 4.8420 4.8420 4.9144 4.9144 5.0971 5.0971 5.0980 5.0980 k = 0.1586 0.1626 0.1668 ( 20935 PWs) bands (ev): -43.7902 -43.7902 -43.7822 -43.7822 -43.7822 -43.7822 -43.7770 -43.7770 -43.7770 -43.7770 -43.7730 -43.7730 -6.3907 -6.3907 -5.3294 -5.3294 -3.0406 -3.0406 -3.0365 -3.0365 -2.4792 -2.4792 -1.7857 -1.7857 -1.7813 -1.7813 -1.5120 -1.5120 -0.8395 -0.8395 -0.8379 -0.8379 -0.1489 -0.1489 -0.1478 -0.1478 4.8343 4.8343 4.9452 4.9452 5.1037 5.1037 5.1046 5.1046 k = 0.1487 0.1524 0.1563 ( 20938 PWs) bands (ev): -43.7903 -43.7903 -43.7822 -43.7822 -43.7822 -43.7822 -43.7770 -43.7770 -43.7770 -43.7770 -43.7729 -43.7729 -6.4174 -6.4174 -5.3107 -5.3107 -3.0139 -3.0139 -3.0098 -3.0098 -2.4700 -2.4700 -1.7501 -1.7501 -1.7457 -1.7457 -1.4914 -1.4914 -0.9003 -0.9003 -0.8986 -0.8986 -0.1770 -0.1770 -0.1759 -0.1759 4.7957 4.7957 5.0090 5.0090 5.1144 5.1144 5.1153 5.1153 k = 0.1388 0.1423 0.1459 ( 20923 PWs) bands (ev): -43.7905 -43.7905 -43.7821 -43.7821 -43.7821 -43.7821 -43.7770 -43.7770 -43.7770 -43.7770 -43.7728 -43.7728 -6.4426 -6.4426 -5.2920 -5.2920 -2.9865 -2.9865 -2.9824 -2.9824 -2.4664 -2.4664 -1.7164 -1.7164 -1.7120 -1.7120 -1.4673 -1.4673 -0.9592 -0.9592 -0.9574 -0.9574 -0.2041 -0.2041 -0.2031 -0.2031 4.7548 4.7548 5.0757 5.0757 5.1291 5.1291 5.1299 5.1299 k = 0.1289 0.1321 0.1355 ( 20941 PWs) bands (ev): -43.7906 -43.7906 -43.7820 -43.7820 -43.7820 -43.7820 -43.7770 -43.7770 -43.7770 -43.7770 -43.7728 -43.7728 -6.4662 -6.4662 -5.2734 -5.2734 -2.9585 -2.9585 -2.9543 -2.9543 -2.4679 -2.4679 -1.6850 -1.6850 -1.6807 -1.6807 -1.4401 -1.4401 -1.0159 -1.0159 -1.0140 -1.0140 -0.2301 -0.2301 -0.2291 -0.2291 4.7148 4.7148 5.1412 5.1412 5.1475 5.1475 5.1482 5.1482 k = 0.1189 0.1219 0.1251 ( 20947 PWs) bands (ev): -43.7908 -43.7908 -43.7820 -43.7820 -43.7820 -43.7820 -43.7770 -43.7770 -43.7770 -43.7770 -43.7727 -43.7727 -6.4883 -6.4883 -5.2550 -5.2550 -2.9302 -2.9302 -2.9259 -2.9259 -2.4737 -2.4737 -1.6564 -1.6564 -1.6522 -1.6522 -1.4106 -1.4106 -1.0697 -1.0697 -1.0676 -1.0676 -0.2548 -0.2548 -0.2540 -0.2540 4.6763 4.6763 5.1694 5.1694 5.1702 5.1702 5.2036 5.2036 k = 0.1090 0.1118 0.1147 ( 20896 PWs) bands (ev): -43.7909 -43.7909 -43.7819 -43.7819 -43.7819 -43.7819 -43.7770 -43.7770 -43.7770 -43.7770 -43.7727 -43.7727 -6.5087 -6.5087 -5.2372 -5.2372 -2.9017 -2.9017 -2.8974 -2.8974 -2.4830 -2.4830 -1.6311 -1.6311 -1.6271 -1.6271 -1.3794 -1.3794 -1.1199 -1.1199 -1.1176 -1.1176 -0.2783 -0.2783 -0.2776 -0.2776 4.6396 4.6396 5.1947 5.1947 5.1954 5.1954 5.2615 5.2615 k = 0.0991 0.1016 0.1042 ( 20896 PWs) bands (ev): -43.7910 -43.7910 -43.7819 -43.7819 -43.7819 -43.7819 -43.7771 -43.7771 -43.7770 -43.7770 -43.7726 -43.7726 -6.5274 -6.5274 -5.2200 -5.2200 -2.8734 -2.8734 -2.8690 -2.8690 -2.4948 -2.4948 -1.6099 -1.6099 -1.6061 -1.6061 -1.3474 -1.3474 -1.1656 -1.1656 -1.1629 -1.1629 -0.3005 -0.3005 -0.2998 -0.2998 4.6049 4.6049 5.2229 5.2229 5.2236 5.2236 5.3140 5.3140 k = 0.0892 0.0914 0.0938 ( 20905 PWs) bands (ev): -43.7911 -43.7911 -43.7818 -43.7818 -43.7818 -43.7818 -43.7771 -43.7771 -43.7771 -43.7771 -43.7726 -43.7726 -6.5445 -6.5445 -5.2037 -5.2037 -2.8455 -2.8455 -2.8411 -2.8411 -2.5083 -2.5083 -1.5936 -1.5936 -1.5902 -1.5902 -1.3156 -1.3156 -1.2056 -1.2056 -1.2025 -1.2025 -0.3211 -0.3211 -0.3205 -0.3205 4.5725 4.5725 5.2537 5.2537 5.2543 5.2543 5.3605 5.3605 k = 0.0793 0.0813 0.0834 ( 20887 PWs) bands (ev): -43.7912 -43.7912 -43.7818 -43.7818 -43.7818 -43.7818 -43.7771 -43.7771 -43.7771 -43.7771 -43.7726 -43.7726 -6.5598 -6.5598 -5.1884 -5.1884 -2.8184 -2.8184 -2.8139 -2.8139 -2.5227 -2.5227 -1.5832 -1.5832 -1.5803 -1.5803 -1.2847 -1.2847 -1.2388 -1.2388 -1.2352 -1.2352 -0.3401 -0.3401 -0.3396 -0.3396 4.5425 4.5425 5.2864 5.2864 5.2870 5.2870 5.4004 5.4004 k = 0.0694 0.0711 0.0730 ( 20869 PWs) bands (ev): -43.7913 -43.7913 -43.7817 -43.7817 -43.7817 -43.7817 -43.7771 -43.7771 -43.7771 -43.7771 -43.7725 -43.7725 -6.5734 -6.5734 -5.1744 -5.1744 -2.7926 -2.7926 -2.7880 -2.7880 -2.5372 -2.5372 -1.5793 -1.5793 -1.5770 -1.5770 -1.2649 -1.2649 -1.2601 -1.2601 -1.2549 -1.2549 -0.3573 -0.3573 -0.3569 -0.3569 4.5151 4.5151 5.3205 5.3205 5.3209 5.3209 5.4337 5.4337 k = 0.0595 0.0610 0.0625 ( 20866 PWs) bands (ev): -43.7914 -43.7914 -43.7817 -43.7817 -43.7817 -43.7817 -43.7771 -43.7771 -43.7771 -43.7771 -43.7725 -43.7725 -6.5852 -6.5852 -5.1617 -5.1617 -2.7685 -2.7685 -2.7638 -2.7638 -2.5511 -2.5511 -1.5818 -1.5818 -1.5802 -1.5802 -1.2820 -1.2820 -1.2770 -1.2770 -1.2285 -1.2285 -0.3727 -0.3727 -0.3724 -0.3724 4.4907 4.4907 5.3549 5.3549 5.3553 5.3553 5.4604 5.4604 k = 0.0496 0.0508 0.0521 ( 20851 PWs) bands (ev): -43.7914 -43.7914 -43.7817 -43.7817 -43.7817 -43.7817 -43.7771 -43.7771 -43.7771 -43.7771 -43.7725 -43.7725 -6.5952 -6.5952 -5.1507 -5.1507 -2.7467 -2.7467 -2.7420 -2.7420 -2.5638 -2.5638 -1.5894 -1.5894 -1.5883 -1.5883 -1.2924 -1.2924 -1.2869 -1.2869 -1.2048 -1.2048 -0.3860 -0.3860 -0.3858 -0.3858 4.4695 4.4695 5.3884 5.3884 5.3888 5.3888 5.4809 5.4809 k = 0.0396 0.0406 0.0417 ( 20851 PWs) bands (ev): -43.7915 -43.7915 -43.7817 -43.7817 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7725 -43.7725 -6.6035 -6.6035 -5.1414 -5.1414 -2.7278 -2.7278 -2.7229 -2.7229 -2.5749 -2.5749 -1.5999 -1.5999 -1.5992 -1.5992 -1.2976 -1.2976 -1.2916 -1.2916 -1.1846 -1.1846 -0.3972 -0.3972 -0.3970 -0.3970 4.4517 4.4517 5.4198 5.4198 5.4200 5.4200 5.4958 5.4958 k = 0.0297 0.0305 0.0313 ( 20851 PWs) bands (ev): -43.7915 -43.7915 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6099 -6.6099 -5.1341 -5.1341 -2.7123 -2.7123 -2.7073 -2.7073 -2.5839 -2.5839 -1.6109 -1.6109 -1.6105 -1.6105 -1.2994 -1.2994 -1.2931 -1.2931 -1.1684 -1.1684 -0.4060 -0.4060 -0.4059 -0.4059 4.4376 4.4376 5.4471 5.4471 5.4473 5.4473 5.5060 5.5060 k = 0.0198 0.0203 0.0208 ( 20884 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6144 -6.6144 -5.1287 -5.1287 -2.7007 -2.7007 -2.6957 -2.6957 -2.5906 -2.5906 -1.6202 -1.6202 -1.6201 -1.6201 -1.2995 -1.2995 -1.2930 -1.2930 -1.1566 -1.1566 -0.4124 -0.4124 -0.4123 -0.4123 4.4273 4.4273 5.4687 5.4687 5.4687 5.4687 5.5124 5.5124 k = 0.0099 0.0102 0.0104 ( 20875 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6172 -6.6172 -5.1255 -5.1255 -2.6936 -2.6936 -2.6886 -2.6886 -2.5947 -2.5947 -1.6264 -1.6264 -1.6264 -1.6264 -1.2991 -1.2991 -1.2925 -1.2925 -1.1494 -1.1494 -0.4163 -0.4163 -0.4162 -0.4162 4.4211 4.4211 5.4825 5.4825 5.4825 5.4825 5.5159 5.5159 k = 0.0000 0.0000 0.0000 ( 20893 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6181 -6.6181 -5.1244 -5.1244 -2.6912 -2.6912 -2.6861 -2.6861 -2.5961 -2.5961 -1.6286 -1.6286 -1.6286 -1.6286 -1.2990 -1.2990 -1.2923 -1.2923 -1.1470 -1.1470 -0.4176 -0.4176 -0.4176 -0.4176 4.4190 4.4190 5.4873 5.4873 5.4873 5.4873 5.5169 5.5169 k = 0.0000 0.0000 0.0000 ( 20893 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6181 -6.6181 -5.1244 -5.1244 -2.6912 -2.6912 -2.6861 -2.6861 -2.5961 -2.5961 -1.6286 -1.6286 -1.6286 -1.6286 -1.2990 -1.2990 -1.2923 -1.2923 -1.1470 -1.1470 -0.4176 -0.4176 -0.4176 -0.4176 4.4190 4.4190 5.4873 5.4873 5.4873 5.4873 5.5169 5.5169 k = 0.0125-0.0122-0.0000 ( 20877 PWs) bands (ev): -43.7916 -43.7916 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6172 -6.6172 -5.1255 -5.1255 -2.6913 -2.6913 -2.6859 -2.6859 -2.5984 -2.5984 -1.6285 -1.6285 -1.6261 -1.6261 -1.3013 -1.3013 -1.2942 -1.2942 -1.1457 -1.1457 -0.4169 -0.4169 -0.4157 -0.4157 4.4225 4.4225 5.4832 5.4832 5.4890 5.4890 5.5131 5.5131 k = 0.0250-0.0244-0.0000 ( 20867 PWs) bands (ev): -43.7915 -43.7915 -43.7816 -43.7816 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6145 -6.6145 -5.1290 -5.1290 -2.6932 -2.6932 -2.6837 -2.6837 -2.6047 -2.6047 -1.6281 -1.6281 -1.6191 -1.6191 -1.3101 -1.3101 -1.2980 -1.2980 -1.1418 -1.1418 -0.4148 -0.4148 -0.4102 -0.4102 4.4330 4.4330 5.4722 5.4722 5.4941 5.4941 5.5021 5.5021 k = 0.0375-0.0366-0.0000 ( 20855 PWs) bands (ev): -43.7915 -43.7915 -43.7817 -43.7817 -43.7816 -43.7816 -43.7771 -43.7771 -43.7771 -43.7771 -43.7724 -43.7724 -6.6099 -6.6099 -5.1347 -5.1347 -2.6992 -2.6992 -2.6790 -2.6790 -2.6130 -2.6130 -1.6279 -1.6279 -1.6088 -1.6088 -1.3257 -1.3257 -1.3025 -1.3025 -1.1346 -1.1346 -0.4116 -0.4116 -0.4012 -0.4012 4.4501 4.4501 5.4566 5.4566 5.4850 5.4850 5.5025 5.5025 k = 0.0500-0.0488-0.0000 ( 20855 PWs) bands (ev): -43.7915 -43.7915 -43.7817 -43.7817 -43.7817 -43.7817 -43.7771 -43.7771 -43.7770 -43.7770 -43.7725 -43.7725 -6.6035 -6.6035 -5.1425 -5.1425 -2.7110 -2.7110 -2.6724 -2.6724 -2.6202 -2.6202 -1.6283 -1.6283 -1.5972 -1.5972 -1.3463 -1.3463 -1.3078 -1.3078 -1.1233 -1.1233 -0.4074 -0.4074 -0.3889 -0.3889 4.4734 4.4734 5.4391 5.4391 5.4632 5.4632 5.5139 5.5139 k = 0.0625-0.0610-0.0000 ( 20855 PWs) bands (ev): -43.7914 -43.7914 -43.7818 -43.7818 -43.7817 -43.7817 -43.7771 -43.7771 -43.7770 -43.7770 -43.7725 -43.7725 -6.5953 -6.5953 -5.1524 -5.1524 -2.7300 -2.7300 -2.6646 -2.6646 -2.6234 -2.6234 -1.6303 -1.6303 -1.5872 -1.5872 -1.3693 -1.3693 -1.3135 -1.3135 -1.1074 -1.1074 -0.4025 -0.4025 -0.3735 -0.3735 4.5025 4.5025 5.4212 5.4212 5.4389 5.4389 5.5281 5.5281 k = 0.0750-0.0732-0.0000 ( 20857 PWs) bands (ev): -43.7913 -43.7913 -43.7818 -43.7818 -43.7817 -43.7817 -43.7771 -43.7771 -43.7769 -43.7769 -43.7725 -43.7725 -6.5853 -6.5853 -5.1643 -5.1643 -2.7558 -2.7558 -2.6565 -2.6565 -2.6216 -2.6216 -1.6359 -1.6359 -1.5820 -1.5820 -1.3914 -1.3914 -1.3186 -1.3186 -1.0861 -1.0861 -0.3973 -0.3973 -0.3554 -0.3554 4.5364 4.5364 5.4001 5.4001 5.4179 5.4179 5.5442 5.5442 k = 0.0875-0.0854-0.0000 ( 20859 PWs) bands (ev): -43.7912 -43.7912 -43.7819 -43.7819 -43.7817 -43.7817 -43.7771 -43.7771 -43.7769 -43.7769 -43.7726 -43.7726 -6.5736 -6.5736 -5.1779 -5.1779 -2.7867 -2.7867 -2.6489 -2.6489 -2.6147 -2.6147 -1.6489 -1.6489 -1.5832 -1.5832 -1.4089 -1.4089 -1.3215 -1.3215 -1.0592 -1.0592 -0.3918 -0.3918 -0.3347 -0.3347 4.5741 4.5741 5.3726 5.3726 5.4060 5.4060 5.5614 5.5614 k = 0.1000-0.0975-0.0000 ( 20853 PWs) bands (ev): -43.7911 -43.7911 -43.7820 -43.7820 -43.7818 -43.7818 -43.7770 -43.7770 -43.7768 -43.7768 -43.7726 -43.7726 -6.5600 -6.5600 -5.1932 -5.1932 -2.8213 -2.8213 -2.6419 -2.6419 -2.6035 -2.6035 -1.6739 -1.6739 -1.5887 -1.5887 -1.4212 -1.4212 -1.3205 -1.3205 -1.0265 -1.0265 -0.3863 -0.3863 -0.3118 -0.3118 4.6145 4.6145 5.3424 5.3424 5.4015 5.4015 5.5777 5.5777 k = 0.1125-0.1097-0.0000 ( 20861 PWs) bands (ev): -43.7910 -43.7910 -43.7821 -43.7821 -43.7818 -43.7818 -43.7770 -43.7770 -43.7768 -43.7768 -43.7727 -43.7727 -6.5448 -6.5448 -5.2099 -5.2099 -2.8583 -2.8583 -2.6353 -2.6353 -2.5894 -2.5894 -1.7129 -1.7129 -1.5949 -1.5949 -1.4310 -1.4310 -1.3141 -1.3141 -0.9884 -0.9884 -0.3807 -0.3807 -0.2871 -0.2871 4.6559 4.6559 5.3122 5.3122 5.4038 5.4038 5.5899 5.5899 k = 0.1250-0.1219-0.0000 ( 20855 PWs) bands (ev): -43.7909 -43.7909 -43.7822 -43.7822 -43.7819 -43.7819 -43.7770 -43.7770 -43.7767 -43.7767 -43.7728 -43.7728 -6.5277 -6.5277 -5.2279 -5.2279 -2.8969 -2.8969 -2.6287 -2.6287 -2.5734 -2.5734 -1.7631 -1.7631 -1.6011 -1.6011 -1.4410 -1.4410 -1.3023 -1.3023 -0.9456 -0.9456 -0.3749 -0.3749 -0.2607 -0.2607 4.6967 4.6967 5.2831 5.2831 5.4134 5.4134 5.5930 5.5930 k = 0.1375-0.1341-0.0000 ( 20853 PWs) bands (ev): -43.7908 -43.7908 -43.7823 -43.7823 -43.7819 -43.7819 -43.7770 -43.7770 -43.7766 -43.7766 -43.7728 -43.7728 -6.5090 -6.5090 -5.2471 -5.2471 -2.9364 -2.9364 -2.6218 -2.6218 -2.5564 -2.5564 -1.8212 -1.8212 -1.6078 -1.6078 -1.4520 -1.4520 -1.2860 -1.2860 -0.8990 -0.8990 -0.3688 -0.3688 -0.2329 -0.2329 4.7349 4.7349 5.2558 5.2558 5.4305 5.4305 5.5812 5.5812 k = 0.1500-0.1463-0.0000 ( 20855 PWs) bands (ev): -43.7906 -43.7906 -43.7824 -43.7824 -43.7820 -43.7820 -43.7770 -43.7770 -43.7765 -43.7765 -43.7729 -43.7729 -6.4887 -6.4887 -5.2671 -5.2671 -2.9763 -2.9763 -2.6146 -2.6146 -2.5391 -2.5391 -1.8844 -1.8844 -1.6155 -1.6155 -1.4639 -1.4639 -1.2664 -1.2664 -0.8498 -0.8498 -0.3618 -0.3618 -0.2041 -0.2041 4.7688 4.7688 5.2313 5.2313 5.4539 5.4539 5.5536 5.5536 k = 0.1625-0.1585-0.0000 ( 20871 PWs) bands (ev): -43.7904 -43.7904 -43.7825 -43.7825 -43.7820 -43.7820 -43.7770 -43.7770 -43.7765 -43.7765 -43.7730 -43.7730 -6.4667 -6.4667 -5.2879 -5.2879 -3.0163 -3.0163 -2.6072 -2.6072 -2.5224 -2.5224 -1.9502 -1.9502 -1.6245 -1.6245 -1.4761 -1.4761 -1.2445 -1.2445 -0.7995 -0.7995 -0.3533 -0.3533 -0.1743 -0.1743 4.7967 4.7967 5.2101 5.2101 5.4709 5.4709 5.5265 5.5265 k = 0.1750-0.1707-0.0000 ( 20873 PWs) bands (ev): -43.7903 -43.7903 -43.7827 -43.7827 -43.7821 -43.7821 -43.7769 -43.7769 -43.7764 -43.7764 -43.7731 -43.7731 -6.4431 -6.4431 -5.3093 -5.3093 -3.0559 -3.0559 -2.5997 -2.5997 -2.5075 -2.5075 -2.0166 -2.0166 -1.6350 -1.6350 -1.4880 -1.4880 -1.2211 -1.2211 -0.7497 -0.7497 -0.3422 -0.3422 -0.1439 -0.1439 4.8176 4.8176 5.1922 5.1922 5.4405 5.4405 5.5464 5.5464 k = 0.1875-0.1829-0.0000 ( 20867 PWs) bands (ev): -43.7901 -43.7901 -43.7828 -43.7828 -43.7821 -43.7821 -43.7769 -43.7769 -43.7763 -43.7763 -43.7732 -43.7732 -6.4179 -6.4179 -5.3311 -5.3311 -3.0951 -3.0951 -2.5926 -2.5926 -2.4961 -2.4961 -2.0808 -2.0808 -1.6469 -1.6469 -1.4993 -1.4993 -1.1967 -1.1967 -0.7024 -0.7024 -0.3270 -0.3270 -0.1129 -0.1129 4.8314 4.8314 5.1769 5.1769 5.3914 5.3914 5.5875 5.5875 k = 0.2000-0.1951-0.0000 ( 20865 PWs) bands (ev): -43.7899 -43.7899 -43.7829 -43.7829 -43.7822 -43.7822 -43.7769 -43.7769 -43.7763 -43.7763 -43.7733 -43.7733 -6.3913 -6.3913 -5.3531 -5.3531 -3.1336 -3.1336 -2.5867 -2.5867 -2.4911 -2.4911 -2.1388 -2.1388 -1.6600 -1.6600 -1.5097 -1.5097 -1.1718 -1.1718 -0.6599 -0.6599 -0.3060 -0.3060 -0.0817 -0.0817 4.8386 4.8386 5.1622 5.1622 5.3440 5.3440 5.6301 5.6301 k = 0.2125-0.2073-0.0000 ( 20853 PWs) bands (ev): -43.7897 -43.7897 -43.7830 -43.7830 -43.7822 -43.7822 -43.7769 -43.7769 -43.7762 -43.7762 -43.7734 -43.7734 -6.3632 -6.3632 -5.3752 -5.3752 -3.1711 -3.1711 -2.5840 -2.5840 -2.4952 -2.4952 -2.1853 -2.1853 -1.6741 -1.6741 -1.5188 -1.5188 -1.1470 -1.1470 -0.6242 -0.6242 -0.2774 -0.2774 -0.0504 -0.0504 4.8402 4.8402 5.1440 5.1440 5.3058 5.3058 5.6663 5.6663 k = 0.2250-0.2195-0.0000 ( 20859 PWs) bands (ev): -43.7895 -43.7895 -43.7831 -43.7831 -43.7823 -43.7823 -43.7769 -43.7769 -43.7761 -43.7761 -43.7735 -43.7735 -6.3338 -6.3338 -5.3973 -5.3973 -3.2077 -3.2077 -2.5908 -2.5908 -2.5072 -2.5072 -2.2152 -2.2152 -1.6890 -1.6890 -1.5266 -1.5266 -1.1226 -1.1226 -0.5966 -0.5966 -0.2405 -0.2405 -0.0190 -0.0190 4.8377 4.8377 5.1184 5.1184 5.2819 5.2819 5.6905 5.6905 k = 0.2375-0.2317-0.0000 ( 20864 PWs) bands (ev): -43.7893 -43.7893 -43.7832 -43.7832 -43.7824 -43.7824 -43.7769 -43.7769 -43.7761 -43.7761 -43.7735 -43.7735 -6.3031 -6.3031 -5.4192 -5.4192 -3.2431 -3.2431 -2.6186 -2.6186 -2.5161 -2.5161 -2.2279 -2.2279 -1.7044 -1.7044 -1.5330 -1.5330 -1.0991 -1.0991 -0.5769 -0.5769 -0.1955 -0.1955 0.0121 0.0121 4.8324 4.8324 5.0853 5.0853 5.2726 5.2726 5.7010 5.7010 k = 0.2500-0.2439-0.0000 ( 20886 PWs) bands (ev): -43.7891 -43.7891 -43.7833 -43.7833 -43.7824 -43.7824 -43.7770 -43.7770 -43.7760 -43.7760 -43.7736 -43.7736 -6.2712 -6.2712 -5.4408 -5.4408 -3.2773 -3.2773 -2.6692 -2.6692 -2.5159 -2.5159 -2.2273 -2.2273 -1.7200 -1.7200 -1.5378 -1.5378 -1.0769 -1.0769 -0.5638 -0.5638 -0.1439 -0.1439 0.0429 0.0429 4.8252 4.8252 5.0488 5.0488 5.2738 5.2738 5.6998 5.6998 k = 0.2625-0.2561-0.0000 ( 20884 PWs) bands (ev): -43.7889 -43.7889 -43.7834 -43.7834 -43.7825 -43.7825 -43.7770 -43.7770 -43.7760 -43.7760 -43.7737 -43.7737 -6.2382 -6.2382 -5.4620 -5.4620 -3.3102 -3.3102 -2.7336 -2.7336 -2.5103 -2.5103 -2.2188 -2.2188 -1.7356 -1.7356 -1.5410 -1.5410 -1.0565 -1.0565 -0.5559 -0.5559 -0.0875 -0.0875 0.0732 0.0732 4.8168 4.8168 5.0131 5.0131 5.2817 5.2817 5.6909 5.6909 k = 0.2750-0.2683-0.0000 ( 20904 PWs) bands (ev): -43.7887 -43.7887 -43.7835 -43.7835 -43.7825 -43.7825 -43.7770 -43.7770 -43.7759 -43.7759 -43.7738 -43.7738 -6.2042 -6.2042 -5.4826 -5.4826 -3.3416 -3.3416 -2.8049 -2.8049 -2.5025 -2.5025 -2.2058 -2.2058 -1.7508 -1.7508 -1.5424 -1.5424 -1.0383 -1.0383 -0.5514 -0.5514 -0.0280 -0.0280 0.1029 0.1029 4.8073 4.8073 4.9813 4.9813 5.2937 5.2937 5.6779 5.6779 k = 0.2875-0.2804-0.0000 ( 20900 PWs) bands (ev): -43.7884 -43.7884 -43.7836 -43.7836 -43.7826 -43.7826 -43.7771 -43.7771 -43.7759 -43.7759 -43.7739 -43.7739 -6.1694 -6.1694 -5.5026 -5.5026 -3.3717 -3.3717 -2.8797 -2.8797 -2.4936 -2.4936 -2.1908 -2.1908 -1.7656 -1.7656 -1.5418 -1.5418 -1.0226 -1.0226 -0.5493 -0.5493 0.0333 0.0333 0.1319 0.1319 4.7961 4.7961 4.9556 4.9556 5.3085 5.3085 5.6635 5.6635 k = 0.3000-0.2926-0.0000 ( 20904 PWs) bands (ev): -43.7882 -43.7882 -43.7837 -43.7837 -43.7826 -43.7826 -43.7771 -43.7771 -43.7759 -43.7759 -43.7739 -43.7739 -6.1339 -6.1339 -5.5219 -5.5219 -3.4002 -3.4002 -2.9557 -2.9557 -2.4844 -2.4844 -2.1751 -2.1751 -1.7796 -1.7796 -1.5393 -1.5393 -1.0098 -1.0098 -0.5486 -0.5486 0.0951 0.0951 0.1600 0.1600 4.7829 4.7829 4.9375 4.9375 5.3250 5.3250 5.6498 5.6498 k = 0.3125-0.3048-0.0000 ( 20898 PWs) bands (ev): -43.7880 -43.7880 -43.7838 -43.7838 -43.7827 -43.7827 -43.7772 -43.7772 -43.7758 -43.7758 -43.7740 -43.7740 -6.0979 -6.0979 -5.5404 -5.5404 -3.4272 -3.4272 -3.0319 -3.0319 -2.4749 -2.4749 -2.1596 -2.1596 -1.7929 -1.7929 -1.5346 -1.5346 -1.0002 -1.0002 -0.5487 -0.5487 0.1563 0.1563 0.1875 0.1875 4.7676 4.7676 4.9277 4.9277 5.3427 5.3427 5.6381 5.6381 k = 0.3250-0.3170-0.0000 ( 20910 PWs) bands (ev): -43.7878 -43.7878 -43.7839 -43.7839 -43.7828 -43.7828 -43.7773 -43.7773 -43.7758 -43.7758 -43.7740 -43.7740 -6.0616 -6.0616 -5.5580 -5.5580 -3.4525 -3.4525 -3.1072 -3.1072 -2.4656 -2.4656 -2.1451 -2.1451 -1.8051 -1.8051 -1.5276 -1.5276 -0.9940 -0.9940 -0.5489 -0.5489 0.2092 0.2092 0.2212 0.2212 4.7510 4.7510 4.9256 4.9256 5.3615 5.3615 5.6293 5.6293 k = 0.3375-0.3292-0.0000 ( 20906 PWs) bands (ev): -43.7876 -43.7876 -43.7839 -43.7839 -43.7828 -43.7828 -43.7774 -43.7774 -43.7758 -43.7758 -43.7740 -43.7740 -6.0252 -6.0252 -5.5746 -5.5746 -3.4763 -3.4763 -3.1810 -3.1810 -2.4564 -2.4564 -2.1318 -2.1318 -1.8162 -1.8162 -1.5183 -1.5183 -0.9912 -0.9912 -0.5491 -0.5491 0.2363 0.2363 0.2780 0.2780 4.7343 4.7343 4.9301 4.9301 5.3810 5.3810 5.6238 5.6238 k = 0.3500-0.3414-0.0000 ( 20904 PWs) bands (ev): -43.7874 -43.7874 -43.7840 -43.7840 -43.7829 -43.7829 -43.7775 -43.7775 -43.7758 -43.7758 -43.7741 -43.7741 -5.9889 -5.9889 -5.5903 -5.5903 -3.4984 -3.4984 -3.2527 -3.2527 -2.4475 -2.4475 -2.1201 -2.1201 -1.8263 -1.8263 -1.5066 -1.5066 -0.9920 -0.9920 -0.5491 -0.5491 0.2598 0.2598 0.3348 0.3348 4.7184 4.7184 4.9399 4.9399 5.4016 5.4016 5.6220 5.6220 k = 0.3625-0.3536-0.0000 ( 20912 PWs) bands (ev): -43.7872 -43.7872 -43.7840 -43.7840 -43.7829 -43.7829 -43.7776 -43.7776 -43.7758 -43.7758 -43.7741 -43.7741 -5.9532 -5.9532 -5.6049 -5.6049 -3.5189 -3.5189 -3.3217 -3.3217 -2.4390 -2.4390 -2.1102 -2.1102 -1.8351 -1.8351 -1.4926 -1.4926 -0.9961 -0.9961 -0.5487 -0.5487 0.2817 0.2817 0.3893 0.3893 4.7041 4.7041 4.9540 4.9540 5.4233 5.4233 5.6236 5.6236 k = 0.3750-0.3658-0.0000 ( 20914 PWs) bands (ev): -43.7870 -43.7870 -43.7840 -43.7840 -43.7830 -43.7830 -43.7777 -43.7777 -43.7757 -43.7757 -43.7741 -43.7741 -5.9183 -5.9183 -5.6184 -5.6184 -3.5376 -3.5376 -3.3874 -3.3874 -2.4309 -2.4309 -2.1020 -2.1020 -1.8427 -1.8427 -1.4764 -1.4764 -1.0035 -1.0035 -0.5481 -0.5481 0.3019 0.3019 0.4408 0.4408 4.6917 4.6917 4.9713 4.9713 5.4467 5.4467 5.6284 5.6284 k = 0.3875-0.3780-0.0000 ( 20922 PWs) bands (ev): -43.7868 -43.7868 -43.7840 -43.7840 -43.7830 -43.7830 -43.7778 -43.7778 -43.7757 -43.7757 -43.7741 -43.7741 -5.8846 -5.8846 -5.6307 -5.6307 -3.5547 -3.5547 -3.4493 -3.4493 -2.4234 -2.4234 -2.0956 -2.0956 -1.8492 -1.8492 -1.4581 -1.4581 -1.0139 -1.0139 -0.5472 -0.5472 0.3204 0.3204 0.4888 0.4888 4.6815 4.6815 4.9907 4.9907 5.4721 5.4721 5.6359 5.6359 k = 0.4000-0.3902-0.0000 ( 20902 PWs) bands (ev): -43.7867 -43.7867 -43.7840 -43.7840 -43.7830 -43.7830 -43.7779 -43.7779 -43.7757 -43.7757 -43.7741 -43.7741 -5.8525 -5.8525 -5.6418 -5.6418 -3.5702 -3.5702 -3.5068 -3.5068 -2.4166 -2.4166 -2.0906 -2.0906 -1.8547 -1.8547 -1.4381 -1.4381 -1.0269 -1.0269 -0.5461 -0.5461 0.3371 0.3371 0.5330 0.5330 4.6733 4.6733 5.0113 5.0113 5.4997 5.4997 5.6456 5.6456 k = 0.4125-0.4024-0.0000 ( 20898 PWs) bands (ev): -43.7866 -43.7866 -43.7839 -43.7839 -43.7831 -43.7831 -43.7781 -43.7781 -43.7757 -43.7757 -43.7741 -43.7741 -5.8225 -5.8225 -5.6517 -5.6517 -3.5848 -3.5848 -3.5586 -3.5586 -2.4103 -2.4103 -2.0870 -2.0870 -1.8592 -1.8592 -1.4165 -1.4165 -1.0422 -1.0422 -0.5449 -0.5449 0.3521 0.3521 0.5729 0.5729 4.6672 4.6672 5.0321 5.0321 5.5295 5.5295 5.6571 5.6571 k = 0.4250-0.4146-0.0000 ( 20894 PWs) bands (ev): -43.7865 -43.7865 -43.7839 -43.7839 -43.7831 -43.7831 -43.7782 -43.7782 -43.7757 -43.7757 -43.7741 -43.7741 -5.7951 -5.7951 -5.6603 -5.6603 -3.6105 -3.6105 -3.5920 -3.5920 -2.4048 -2.4048 -2.0845 -2.0845 -1.8628 -1.8628 -1.3939 -1.3939 -1.0595 -1.0595 -0.5438 -0.5438 0.3651 0.3651 0.6083 0.6083 4.6627 4.6627 5.0522 5.0522 5.5605 5.5605 5.6704 5.6704 k = 0.4375-0.4268-0.0000 ( 20906 PWs) bands (ev): -43.7864 -43.7864 -43.7838 -43.7838 -43.7832 -43.7832 -43.7783 -43.7783 -43.7757 -43.7757 -43.7741 -43.7741 -5.7707 -5.7707 -5.6676 -5.6676 -3.6502 -3.6502 -3.6037 -3.6037 -2.4001 -2.4001 -2.0829 -2.0829 -1.8657 -1.8657 -1.3706 -1.3706 -1.0781 -1.0781 -0.5427 -0.5427 0.3762 0.3762 0.6387 0.6387 4.6597 4.6597 5.0707 5.0707 5.5910 5.5910 5.6858 5.6858 k = 0.4500-0.4390-0.0000 ( 20900 PWs) bands (ev): -43.7863 -43.7863 -43.7838 -43.7838 -43.7832 -43.7832 -43.7784 -43.7784 -43.7757 -43.7757 -43.7741 -43.7741 -5.7500 -5.7500 -5.6735 -5.6735 -3.6846 -3.6846 -3.6122 -3.6122 -2.3962 -2.3962 -2.0819 -2.0819 -1.8679 -1.8679 -1.3473 -1.3473 -1.0976 -1.0976 -0.5418 -0.5418 0.3854 0.3854 0.6641 0.6641 4.6579 4.6579 5.0869 5.0869 5.6181 5.6181 5.7041 5.7041 k = 0.4625-0.4511-0.0000 ( 20888 PWs) bands (ev): -43.7863 -43.7863 -43.7837 -43.7837 -43.7833 -43.7833 -43.7784 -43.7784 -43.7757 -43.7757 -43.7741 -43.7741 -5.7333 -5.7333 -5.6781 -5.6781 -3.7122 -3.7122 -3.6186 -3.6186 -2.3931 -2.3931 -2.0813 -2.0813 -1.8695 -1.8695 -1.3250 -1.3250 -1.1169 -1.1169 -0.5411 -0.5411 0.3926 0.3926 0.6840 0.6840 4.6569 4.6569 5.1001 5.1001 5.6388 5.6388 5.7251 5.7251 k = 0.4750-0.4633-0.0000 ( 20896 PWs) bands (ev): -43.7862 -43.7862 -43.7836 -43.7836 -43.7833 -43.7833 -43.7785 -43.7785 -43.7757 -43.7757 -43.7741 -43.7741 -5.7212 -5.7212 -5.6813 -5.6813 -3.7323 -3.7323 -3.6232 -3.6232 -2.3908 -2.3908 -2.0810 -2.0810 -1.8706 -1.8706 -1.3052 -1.3052 -1.1345 -1.1345 -0.5405 -0.5405 0.3977 0.3977 0.6984 0.6984 4.6564 4.6564 5.1099 5.1099 5.6523 5.6523 5.7460 5.7460 k = 0.4875-0.4755-0.0000 ( 20898 PWs) bands (ev): -43.7862 -43.7862 -43.7836 -43.7836 -43.7834 -43.7834 -43.7785 -43.7785 -43.7757 -43.7757 -43.7741 -43.7741 -5.7139 -5.7139 -5.6831 -5.6831 -3.7445 -3.7445 -3.6260 -3.6260 -2.3895 -2.3895 -2.0809 -2.0809 -1.8713 -1.8713 -1.2907 -1.2907 -1.1478 -1.1478 -0.5402 -0.5402 0.4008 0.4008 0.7070 0.7070 4.6562 4.6562 5.1159 5.1159 5.6598 5.6598 5.7615 5.7615 k = 0.5000-0.4877-0.0000 ( 20900 PWs) bands (ev): -43.7862 -43.7862 -43.7835 -43.7835 -43.7834 -43.7834 -43.7786 -43.7786 -43.7757 -43.7757 -43.7741 -43.7741 -5.7115 -5.7115 -5.6836 -5.6836 -3.7486 -3.7486 -3.6269 -3.6269 -2.3890 -2.3890 -2.0809 -2.0809 -1.8715 -1.8715 -1.2851 -1.2851 -1.1529 -1.1529 -0.5401 -0.5401 0.4018 0.4018 0.7099 0.7099 4.6561 4.6561 5.1180 5.1180 5.6622 5.6622 5.7672 5.7672 k = 0.5000-0.4877-0.0000 ( 20900 PWs) bands (ev): -43.7862 -43.7862 -43.7835 -43.7835 -43.7834 -43.7834 -43.7786 -43.7786 -43.7757 -43.7757 -43.7741 -43.7741 -5.7115 -5.7115 -5.6836 -5.6836 -3.7486 -3.7486 -3.6269 -3.6269 -2.3890 -2.3890 -2.0809 -2.0809 -1.8715 -1.8715 -1.2851 -1.2851 -1.1529 -1.1529 -0.5401 -0.5401 0.4018 0.4018 0.7099 0.7099 4.6561 4.6561 5.1180 5.1180 5.6622 5.6622 5.7672 5.7672 k = 0.5004-0.4873-0.0174 ( 20899 PWs) bands (ev): -43.7862 -43.7862 -43.7835 -43.7835 -43.7834 -43.7834 -43.7785 -43.7785 -43.7757 -43.7757 -43.7741 -43.7741 -5.7109 -5.7109 -5.6831 -5.6831 -3.7478 -3.7478 -3.6261 -3.6261 -2.3911 -2.3911 -2.0841 -2.0841 -1.8765 -1.8765 -1.3240 -1.3240 -1.1126 -1.1126 -0.5339 -0.5339 0.4031 0.4031 0.7105 0.7105 4.6594 4.6594 5.1200 5.1200 5.6633 5.6633 5.7693 5.7693 k = 0.5009-0.4868-0.0348 ( 20897 PWs) bands (ev): -43.7862 -43.7862 -43.7835 -43.7835 -43.7834 -43.7834 -43.7785 -43.7785 -43.7757 -43.7757 -43.7741 -43.7741 -5.7094 -5.7094 -5.6816 -5.6816 -3.7454 -3.7454 -3.6237 -3.6237 -2.3971 -2.3971 -2.0939 -2.0939 -1.8910 -1.8910 -1.3937 -1.3937 -1.0388 -1.0388 -0.5156 -0.5156 0.4071 0.4071 0.7120 0.7121 4.6691 4.6691 5.1260 5.1260 5.6668 5.6668 5.7755 5.7755 k = 0.5013-0.4864-0.0522 ( 20891 PWs) bands (ev): -43.7862 -43.7862 -43.7835 -43.7835 -43.7834 -43.7834 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.7068 -5.7068 -5.6791 -5.6791 -3.7413 -3.7413 -3.6197 -3.6197 -2.4071 -2.4071 -2.1103 -2.1103 -1.9140 -1.9140 -1.4680 -1.4680 -0.9576 -0.9576 -0.4864 -0.4864 0.4137 0.4137 0.7146 0.7146 4.6853 4.6853 5.1360 5.1360 5.6728 5.6728 5.7857 5.7857 k = 0.5017-0.4860-0.0697 ( 20891 PWs) bands (ev): -43.7861 -43.7861 -43.7835 -43.7835 -43.7834 -43.7834 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.7031 -5.7031 -5.6757 -5.6757 -3.7356 -3.7356 -3.6141 -3.6141 -2.4209 -2.4209 -2.1333 -2.1333 -1.9440 -1.9440 -1.5421 -1.5421 -0.8739 -0.8739 -0.4475 -0.4475 0.4227 0.4227 0.7181 0.7181 4.7079 4.7079 5.1501 5.1501 5.6812 5.6812 5.7998 5.7998 k = 0.5022-0.4855-0.0871 ( 20907 PWs) bands (ev): -43.7861 -43.7861 -43.7835 -43.7835 -43.7834 -43.7834 -43.7785 -43.7785 -43.7757 -43.7757 -43.7742 -43.7742 -5.6985 -5.6985 -5.6712 -5.6712 -3.7283 -3.7283 -3.6070 -3.6070 -2.4384 -2.4384 -2.1628 -2.1628 -1.9793 -1.9793 -1.6147 -1.6147 -0.7889 -0.7889 -0.4006 -0.4006 0.4339 0.4339 0.7225 0.7225 4.7369 4.7369 5.1681 5.1681 5.6923 5.6923 5.8177 5.8177 k = 0.5026-0.4851-0.1045 ( 20889 PWs) bands (ev): -43.7860 -43.7860 -43.7835 -43.7835 -43.7834 -43.7834 -43.7785 -43.7785 -43.7758 -43.7758 -43.7743 -43.7743 -5.6930 -5.6930 -5.6659 -5.6659 -3.7194 -3.7194 -3.5983 -3.5983 -2.4595 -2.4595 -2.1984 -2.1984 -2.0186 -2.0186 -1.6852 -1.6852 -0.7034 -0.7034 -0.3472 -0.3472 0.4472 0.4472 0.7276 0.7276 4.7721 4.7721 5.1902 5.1902 5.7061 5.7061 5.8393 5.8393 k = 0.5030-0.4846-0.1219 ( 20893 PWs) bands (ev): -43.7859 -43.7859 -43.7835 -43.7835 -43.7834 -43.7834 -43.7784 -43.7784 -43.7758 -43.7758 -43.7744 -43.7744 -5.6865 -5.6865 -5.6597 -5.6597 -3.7089 -3.7089 -3.5880 -3.5880 -2.4838 -2.4838 -2.2397 -2.2397 -2.0608 -2.0608 -1.7533 -1.7533 -0.6177 -0.6177 -0.2890 -0.2890 0.4622 0.4622 0.7333 0.7333 4.8135 4.8135 5.2164 5.2164 5.7228 5.7228 5.8645 5.8645 k = 0.5035-0.4842-0.1393 ( 20912 PWs) bands (ev): -43.7859 -43.7859 -43.7835 -43.7835 -43.7834 -43.7834 -43.7784 -43.7784 -43.7759 -43.7759 -43.7744 -43.7744 -5.6792 -5.6792 -5.6527 -5.6527 -3.6968 -3.6968 -3.5762 -3.5762 -2.5112 -2.5112 -2.2858 -2.2858 -2.1051 -2.1051 -1.8188 -1.8188 -0.5322 -0.5322 -0.2272 -0.2272 0.4788 0.4788 0.7395 0.7395 4.8610 4.8610 5.2467 5.2467 5.7425 5.7425 5.8931 5.8931 k = 0.5039-0.4837-0.1567 ( 20904 PWs) bands (ev): -43.7858 -43.7858 -43.7835 -43.7835 -43.7834 -43.7834 -43.7783 -43.7783 -43.7759 -43.7759 -43.7745 -43.7745 -5.6711 -5.6711 -5.6449 -5.6449 -3.6831 -3.6831 -3.5629 -3.5629 -2.5414 -2.5414 -2.3357 -2.3357 -2.1512 -2.1512 -1.8817 -1.8817 -0.4473 -0.4473 -0.1629 -0.1629 0.4966 0.4966 0.7460 0.7460 4.9143 4.9143 5.2811 5.2811 5.7652 5.7652 5.9251 5.9251 k = 0.5043-0.4833-0.1741 ( 20912 PWs) bands (ev): -43.7857 -43.7857 -43.7836 -43.7836 -43.7834 -43.7834 -43.7783 -43.7783 -43.7760 -43.7760 -43.7746 -43.7746 -5.6623 -5.6623 -5.6365 -5.6365 -3.6678 -3.6678 -3.5481 -3.5481 -2.5739 -2.5739 -2.3883 -2.3883 -2.1988 -2.1988 -1.9419 -1.9419 -0.3632 -0.3632 -0.0972 -0.0972 0.5153 0.5153 0.7526 0.7526 4.9732 4.9732 5.3197 5.3197 5.7910 5.7910 5.9603 5.9603 k = 0.5048-0.4828-0.1915 ( 20912 PWs) bands (ev): -43.7856 -43.7856 -43.7836 -43.7836 -43.7834 -43.7834 -43.7782 -43.7782 -43.7760 -43.7760 -43.7747 -43.7747 -5.6528 -5.6528 -5.6275 -5.6275 -3.6510 -3.6510 -3.5318 -3.5318 -2.6084 -2.6084 -2.4427 -2.4427 -2.2477 -2.2477 -1.9997 -1.9997 -0.2802 -0.2802 -0.0308 -0.0308 0.5346 0.5346 0.7593 0.7593 5.0375 5.0375 5.3626 5.3626 5.8200 5.8200 5.9986 5.9986 k = 0.5052-0.4824-0.2090 ( 20920 PWs) bands (ev): -43.7855 -43.7855 -43.7836 -43.7836 -43.7834 -43.7834 -43.7782 -43.7782 -43.7761 -43.7761 -43.7748 -43.7748 -5.6427 -5.6427 -5.6179 -5.6179 -3.6326 -3.6326 -3.5140 -3.5140 -2.6444 -2.6444 -2.4978 -2.4978 -2.2976 -2.2976 -2.0552 -2.0552 -0.1986 -0.1986 0.0353 0.0353 0.5544 0.5544 0.7659 0.7659 5.1069 5.1069 5.4099 5.4099 5.8522 5.8522 6.0400 6.0400 k = 0.5056-0.4820-0.2264 ( 20916 PWs) bands (ev): -43.7854 -43.7854 -43.7836 -43.7836 -43.7834 -43.7834 -43.7781 -43.7781 -43.7761 -43.7761 -43.7749 -43.7749 -5.6322 -5.6322 -5.6079 -5.6079 -3.6126 -3.6126 -3.4948 -3.4948 -2.6816 -2.6816 -2.5529 -2.5529 -2.3482 -2.3482 -2.1088 -2.1088 -0.1187 -0.1187 0.1005 0.1005 0.5742 0.5742 0.7722 0.7722 5.1808 5.1808 5.4617 5.4617 5.8878 5.8878 6.0844 6.0844 k = 0.5061-0.4815-0.2438 ( 20918 PWs) bands (ev): -43.7853 -43.7853 -43.7836 -43.7836 -43.7834 -43.7834 -43.7781 -43.7781 -43.7762 -43.7762 -43.7750 -43.7750 -5.6214 -5.6214 -5.5976 -5.5976 -3.5912 -3.5912 -3.4743 -3.4743 -2.7195 -2.7195 -2.6074 -2.6074 -2.3994 -2.3994 -2.1607 -2.1607 -0.0407 -0.0407 0.1644 0.1644 0.5938 0.5938 0.7780 0.7780 5.2587 5.2587 5.5185 5.5185 5.9266 5.9266 6.1317 6.1317 k = 0.5065-0.4811-0.2612 ( 20918 PWs) bands (ev): -43.7851 -43.7851 -43.7836 -43.7836 -43.7834 -43.7834 -43.7780 -43.7780 -43.7763 -43.7763 -43.7751 -43.7751 -5.6103 -5.6103 -5.5871 -5.5871 -3.5682 -3.5682 -3.4524 -3.4524 -2.7576 -2.7576 -2.6607 -2.6607 -2.4507 -2.4507 -2.2112 -2.2112 0.0350 0.0350 0.2262 0.2262 0.6131 0.6131 0.7833 0.7833 5.3397 5.3397 5.5806 5.5806 5.9688 5.9688 6.1818 6.1818 k = 0.5069-0.4806-0.2786 ( 20932 PWs) bands (ev): -43.7850 -43.7850 -43.7836 -43.7836 -43.7834 -43.7834 -43.7779 -43.7779 -43.7764 -43.7764 -43.7752 -43.7752 -5.5990 -5.5990 -5.5766 -5.5766 -3.5437 -3.5437 -3.4293 -3.4293 -2.7955 -2.7955 -2.7122 -2.7122 -2.5019 -2.5019 -2.2602 -2.2602 0.1081 0.1081 0.2856 0.2856 0.6316 0.6316 0.7879 0.7879 5.4230 5.4230 5.6486 5.6486 6.0143 6.0143 6.2346 6.2346 k = 0.5074-0.4802-0.2960 ( 20930 PWs) bands (ev): -43.7849 -43.7849 -43.7836 -43.7836 -43.7834 -43.7834 -43.7778 -43.7778 -43.7765 -43.7765 -43.7753 -43.7753 -5.5878 -5.5878 -5.5660 -5.5660 -3.5178 -3.5178 -3.4050 -3.4050 -2.8327 -2.8327 -2.7616 -2.7616 -2.5529 -2.5529 -2.3081 -2.3081 0.1784 0.1784 0.3420 0.3420 0.6493 0.6493 0.7918 0.7918 5.5073 5.5073 5.7232 5.7232 6.0632 6.0632 6.2901 6.2901 k = 0.5078-0.4797-0.3134 ( 20920 PWs) bands (ev): -43.7848 -43.7848 -43.7836 -43.7836 -43.7835 -43.7835 -43.7778 -43.7778 -43.7765 -43.7765 -43.7754 -43.7754 -5.5768 -5.5768 -5.5557 -5.5557 -3.4905 -3.4905 -3.3796 -3.3796 -2.8688 -2.8688 -2.8084 -2.8084 -2.6035 -2.6035 -2.3546 -2.3546 0.2456 0.2456 0.3952 0.3952 0.6658 0.6658 0.7946 0.7946 5.5913 5.5913 5.8050 5.8050 6.1153 6.1153 6.3479 6.3479 k = 0.5082-0.4793-0.3309 ( 20932 PWs) bands (ev): -43.7846 -43.7846 -43.7836 -43.7836 -43.7835 -43.7835 -43.7777 -43.7777 -43.7766 -43.7766 -43.7756 -43.7756 -5.5661 -5.5661 -5.5457 -5.5457 -3.4618 -3.4618 -3.3532 -3.3532 -2.9035 -2.9035 -2.8522 -2.8522 -2.6536 -2.6536 -2.3999 -2.3999 0.3094 0.3094 0.4448 0.4448 0.6810 0.6810 0.7964 0.7964 5.6741 5.6741 5.8943 5.8943 6.1707 6.1707 6.4081 6.4081 k = 0.5087-0.4789-0.3483 ( 20941 PWs) bands (ev): -43.7845 -43.7845 -43.7836 -43.7836 -43.7835 -43.7835 -43.7776 -43.7776 -43.7767 -43.7767 -43.7757 -43.7757 -5.5558 -5.5558 -5.5362 -5.5362 -3.4317 -3.4317 -3.3259 -3.3259 -2.9366 -2.9366 -2.8925 -2.8925 -2.7030 -2.7030 -2.4437 -2.4437 0.3695 0.3695 0.4905 0.4905 0.6947 0.6947 0.7971 0.7971 5.7551 5.7551 5.9907 5.9907 6.2292 6.2292 6.4701 6.4701 k = 0.5091-0.4784-0.3657 ( 20929 PWs) bands (ev): -43.7844 -43.7844 -43.7836 -43.7836 -43.7835 -43.7835 -43.7775 -43.7775 -43.7768 -43.7768 -43.7758 -43.7758 -5.5461 -5.5461 -5.5273 -5.5273 -3.4003 -3.4003 -3.2981 -3.2981 -2.9678 -2.9678 -2.9290 -2.9290 -2.7517 -2.7517 -2.4859 -2.4859 0.4256 0.4256 0.5320 0.5320 0.7067 0.7067 0.7964 0.7964 5.8343 5.8343 6.0933 6.0933 6.2907 6.2907 6.5337 6.5337 k = 0.5095-0.4780-0.3831 ( 20917 PWs) bands (ev): -43.7843 -43.7843 -43.7836 -43.7836 -43.7835 -43.7835 -43.7774 -43.7774 -43.7768 -43.7768 -43.7759 -43.7759 -5.5372 -5.5372 -5.5192 -5.5192 -3.3677 -3.3677 -3.2699 -3.2699 -2.9971 -2.9971 -2.9610 -2.9610 -2.7996 -2.7996 -2.5261 -2.5261 0.4776 0.4776 0.5692 0.5692 0.7169 0.7169 0.7942 0.7942 5.9115 5.9115 6.2004 6.2004 6.3549 6.3549 6.5980 6.5980 k = 0.5100-0.4775-0.4005 ( 20935 PWs) bands (ev): -43.7842 -43.7842 -43.7836 -43.7836 -43.7835 -43.7835 -43.7774 -43.7774 -43.7769 -43.7769 -43.7760 -43.7760 -5.5292 -5.5292 -5.5119 -5.5119 -3.3340 -3.3340 -3.2419 -3.2419 -3.0241 -3.0241 -2.9883 -2.9883 -2.8464 -2.8464 -2.5640 -2.5640 0.5251 0.5251 0.6018 0.6018 0.7253 0.7253 0.7905 0.7905 5.9866 5.9866 6.3101 6.3101 6.4216 6.4216 6.6613 6.6613 k = 0.5104-0.4771-0.4179 ( 20943 PWs) bands (ev): -43.7841 -43.7841 -43.7836 -43.7836 -43.7835 -43.7835 -43.7773 -43.7773 -43.7770 -43.7770 -43.7761 -43.7761 -5.5222 -5.5222 -5.5056 -5.5056 -3.2993 -3.2993 -3.2148 -3.2148 -3.0482 -3.0482 -3.0106 -3.0106 -2.8921 -2.8921 -2.5992 -2.5992 0.5678 0.5678 0.6293 0.6293 0.7320 0.7320 0.7851 0.7851 6.0592 6.0592 6.4199 6.4199 6.4903 6.4903 6.7197 6.7197 k = 0.5108-0.4766-0.4353 ( 20945 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7835 -43.7835 -43.7772 -43.7772 -43.7770 -43.7770 -43.7762 -43.7762 -5.5164 -5.5164 -5.5005 -5.5005 -3.2640 -3.2640 -3.1902 -3.1902 -3.0682 -3.0682 -3.0281 -3.0281 -2.9363 -2.9363 -2.6308 -2.6308 0.6055 0.6055 0.6514 0.6514 0.7376 0.7376 0.7779 0.7779 6.1283 6.1283 6.5259 6.5259 6.5605 6.5605 6.7640 6.7640 k = 0.5113-0.4762-0.4527 ( 20946 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7772 -43.7772 -43.7771 -43.7771 -43.7762 -43.7762 -5.5119 -5.5119 -5.4965 -5.4965 -3.2286 -3.2286 -3.1713 -3.1713 -3.0813 -3.0813 -3.0405 -3.0405 -2.9784 -2.9784 -2.6582 -2.6582 0.6375 0.6375 0.6671 0.6671 0.7427 0.7427 0.7693 0.7693 6.1924 6.1924 6.6205 6.6205 6.6320 6.6320 6.7806 6.7806 k = 0.5117-0.4757-0.4702 ( 20945 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5087 -5.5087 -5.4938 -5.4938 -3.1949 -3.1949 -3.1635 -3.1635 -3.0839 -3.0839 -3.0472 -3.0472 -3.0166 -3.0166 -2.6803 -2.6803 0.6623 0.6623 0.6756 0.6756 0.7482 0.7482 0.7603 0.7603 6.2491 6.2491 6.6926 6.6926 6.7007 6.7007 6.7728 6.7728 k = 0.5121-0.4753-0.4876 ( 20960 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5070 -5.5070 -5.4925 -5.4925 -3.1699 -3.1699 -3.1658 -3.1658 -3.0778 -3.0778 -3.0476 -3.0476 -3.0443 -3.0443 -2.6959 -2.6959 0.6764 0.6764 0.6771 0.6771 0.7538 0.7538 0.7546 0.7546 6.2952 6.2952 6.7332 6.7332 6.7380 6.7380 6.7568 6.7568 k = 0.5121-0.4753-0.4876 ( 20960 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5070 -5.5070 -5.4925 -5.4925 -3.1699 -3.1699 -3.1658 -3.1658 -3.0778 -3.0778 -3.0476 -3.0476 -3.0443 -3.0443 -2.6959 -2.6959 0.6764 0.6764 0.6771 0.6771 0.7538 0.7538 0.7546 0.7546 6.2952 6.2952 6.7332 6.7332 6.7380 6.7380 6.7568 6.7568 k = 0.5182-0.4691-0.4812 ( 20939 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5083 -5.5083 -5.4934 -5.4934 -3.1769 -3.1769 -3.1729 -3.1729 -3.0874 -3.0874 -3.0381 -3.0381 -3.0346 -3.0346 -2.6800 -2.6800 0.6729 0.6729 0.6736 0.6736 0.7517 0.7517 0.7525 0.7525 6.2446 6.2446 6.7267 6.7267 6.7310 6.7310 6.7527 6.7527 k = 0.5242-0.4629-0.4748 ( 20927 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5101 -5.5101 -5.4949 -5.4949 -3.1852 -3.1852 -3.1812 -3.1812 -3.0995 -3.0995 -3.0262 -3.0262 -3.0226 -3.0226 -2.6590 -2.6590 0.6680 0.6680 0.6687 0.6687 0.7488 0.7488 0.7495 0.7495 6.1826 6.1826 6.7147 6.7147 6.7184 6.7184 6.7433 6.7433 k = 0.5242-0.4629-0.4748 ( 20927 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5101 -5.5101 -5.4949 -5.4949 -3.1852 -3.1852 -3.1812 -3.1812 -3.0995 -3.0995 -3.0262 -3.0262 -3.0226 -3.0226 -2.6590 -2.6590 0.6680 0.6680 0.6687 0.6687 0.7488 0.7488 0.7495 0.7495 6.1826 6.1826 6.7147 6.7147 6.7184 6.7184 6.7433 6.7433 k = 0.5236-0.4507-0.4623 ( 20939 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7835 -43.7835 -43.7771 -43.7771 -43.7771 -43.7771 -43.7762 -43.7762 -5.5134 -5.5134 -5.4978 -5.4978 -3.2132 -3.2132 -3.1784 -3.1784 -3.1180 -3.1180 -3.0212 -3.0212 -2.9875 -2.9875 -2.6252 -2.6252 0.6501 0.6501 0.6660 0.6660 0.7370 0.7370 0.7519 0.7519 6.0905 6.0905 6.6409 6.6409 6.7051 6.7051 6.7391 6.7391 k = 0.5230-0.4385-0.4498 ( 20940 PWs) bands (ev): -43.7840 -43.7840 -43.7836 -43.7836 -43.7835 -43.7835 -43.7771 -43.7771 -43.7771 -43.7771 -43.7762 -43.7762 -5.5179 -5.5179 -5.5022 -5.5022 -3.2447 -3.2447 -3.1722 -3.1722 -3.1384 -3.1384 -3.0160 -3.0160 -2.9440 -2.9440 -2.5855 -2.5855 0.6250 0.6250 0.6602 0.6602 0.7220 0.7220 0.7549 0.7549 5.9908 5.9908 6.5364 6.5364 6.6787 6.6787 6.7226 6.7226 k = 0.5224-0.4263-0.4373 ( 20924 PWs) bands (ev): -43.7841 -43.7841 -43.7837 -43.7837 -43.7834 -43.7834 -43.7772 -43.7772 -43.7770 -43.7770 -43.7761 -43.7761 -5.5235 -5.5235 -5.5080 -5.5080 -3.2750 -3.2750 -3.1647 -3.1647 -3.1591 -3.1591 -3.0090 -3.0090 -2.8967 -2.8967 -2.5413 -2.5413 0.5949 0.5949 0.6508 0.6508 0.7044 0.7044 0.7563 0.7563 5.8870 5.8870 6.4218 6.4218 6.6380 6.6380 6.6954 6.6954 k = 0.5218-0.4141-0.4248 ( 20912 PWs) bands (ev): -43.7842 -43.7842 -43.7837 -43.7837 -43.7834 -43.7834 -43.7772 -43.7772 -43.7770 -43.7770 -43.7760 -43.7760 -5.5303 -5.5303 -5.5151 -5.5151 -3.3030 -3.3030 -3.1799 -3.1799 -3.1549 -3.1549 -3.0002 -3.0002 -2.8468 -2.8468 -2.4940 -2.4940 0.5609 0.5609 0.6370 0.6370 0.6850 0.6850 0.7553 0.7553 5.7817 5.7817 6.3035 6.3035 6.5875 6.5875 6.6646 6.6646 k = 0.5211-0.4019-0.4123 ( 20905 PWs) bands (ev): -43.7843 -43.7843 -43.7838 -43.7838 -43.7833 -43.7833 -43.7772 -43.7772 -43.7769 -43.7769 -43.7759 -43.7759 -5.5382 -5.5382 -5.5235 -5.5235 -3.3283 -3.3283 -3.1987 -3.1987 -3.1442 -3.1442 -2.9895 -2.9895 -2.7951 -2.7951 -2.4443 -2.4443 0.5233 0.5233 0.6183 0.6183 0.6647 0.6647 0.7516 0.7516 5.6764 5.6764 6.1847 6.1847 6.5318 6.5318 6.6323 6.6323 k = 0.5205-0.3898-0.3998 ( 20903 PWs) bands (ev): -43.7844 -43.7844 -43.7839 -43.7839 -43.7832 -43.7832 -43.7773 -43.7773 -43.7769 -43.7769 -43.7758 -43.7758 -5.5473 -5.5473 -5.5331 -5.5331 -3.3507 -3.3507 -3.2157 -3.2157 -3.1320 -3.1320 -2.9770 -2.9770 -2.7419 -2.7419 -2.3930 -2.3930 0.4826 0.4826 0.5942 0.5942 0.6440 0.6440 0.7452 0.7452 5.5726 5.5726 6.0670 6.0670 6.4739 6.4739 6.5990 6.5990 k = 0.5199-0.3776-0.3873 ( 20898 PWs) bands (ev): -43.7845 -43.7845 -43.7840 -43.7840 -43.7832 -43.7832 -43.7773 -43.7773 -43.7768 -43.7768 -43.7757 -43.7757 -5.5575 -5.5575 -5.5438 -5.5438 -3.3699 -3.3699 -3.2304 -3.2304 -3.1184 -3.1184 -2.9626 -2.9626 -2.6876 -2.6876 -2.3405 -2.3405 0.4389 0.4389 0.5650 0.5650 0.6230 0.6230 0.7360 0.7360 5.4711 5.4711 5.9518 5.9518 6.4154 6.4154 6.5649 6.5649 k = 0.5193-0.3654-0.3748 ( 20897 PWs) bands (ev): -43.7846 -43.7846 -43.7841 -43.7841 -43.7831 -43.7831 -43.7774 -43.7774 -43.7768 -43.7768 -43.7756 -43.7756 -5.5687 -5.5687 -5.5556 -5.5556 -3.3858 -3.3858 -3.2426 -3.2426 -3.1033 -3.1033 -2.9464 -2.9464 -2.6327 -2.6327 -2.2874 -2.2874 0.3924 0.3924 0.5314 0.5314 0.6012 0.6012 0.7240 0.7240 5.3729 5.3729 5.8398 5.8398 6.3571 6.3571 6.5301 6.5301 k = 0.5186-0.3532-0.3623 ( 20901 PWs) bands (ev): -43.7847 -43.7847 -43.7842 -43.7842 -43.7830 -43.7830 -43.7774 -43.7774 -43.7767 -43.7767 -43.7755 -43.7755 -5.5810 -5.5810 -5.5683 -5.5683 -3.3984 -3.3984 -3.2521 -3.2521 -3.0869 -3.0869 -2.9284 -2.9284 -2.5775 -2.5775 -2.2339 -2.2339 0.3434 0.3434 0.4941 0.4941 0.5781 0.5781 0.7095 0.7095 5.2786 5.2786 5.7317 5.7317 6.2995 6.2995 6.4949 6.4949 k = 0.5180-0.3410-0.3498 ( 20907 PWs) bands (ev): -43.7848 -43.7848 -43.7843 -43.7843 -43.7829 -43.7829 -43.7774 -43.7774 -43.7766 -43.7766 -43.7754 -43.7754 -5.5942 -5.5942 -5.5819 -5.5819 -3.4077 -3.4077 -3.2589 -3.2589 -3.0692 -3.0692 -2.9086 -2.9086 -2.5222 -2.5222 -2.1806 -2.1806 0.2919 0.2919 0.4537 0.4537 0.5537 0.5537 0.6926 0.6926 5.1888 5.1888 5.6279 5.6279 6.2430 6.2430 6.4594 6.4594 k = 0.5174-0.3288-0.3373 ( 20920 PWs) bands (ev): -43.7850 -43.7850 -43.7844 -43.7844 -43.7828 -43.7828 -43.7775 -43.7775 -43.7765 -43.7765 -43.7753 -43.7753 -5.6083 -5.6083 -5.5962 -5.5962 -3.4135 -3.4135 -3.2629 -3.2629 -3.0501 -3.0501 -2.8871 -2.8871 -2.4672 -2.4672 -2.1278 -2.1278 0.2382 0.2382 0.4105 0.4105 0.5279 0.5279 0.6734 0.6734 5.1041 5.1041 5.5289 5.5289 6.1877 6.1877 6.4237 6.4237 k = 0.5168-0.3166-0.3248 ( 20931 PWs) bands (ev): -43.7851 -43.7851 -43.7845 -43.7845 -43.7827 -43.7827 -43.7775 -43.7775 -43.7765 -43.7765 -43.7752 -43.7752 -5.6232 -5.6232 -5.6112 -5.6112 -3.4160 -3.4160 -3.2642 -3.2642 -3.0298 -3.0298 -2.8638 -2.8638 -2.4129 -2.4129 -2.0759 -2.0759 0.1824 0.1824 0.3649 0.3649 0.5007 0.5007 0.6521 0.6521 5.0248 5.0248 5.4350 5.4350 6.1340 6.1340 6.3879 6.3879 k = 0.5162-0.3044-0.3123 ( 20935 PWs) bands (ev): -43.7852 -43.7852 -43.7846 -43.7846 -43.7826 -43.7826 -43.7776 -43.7776 -43.7764 -43.7764 -43.7751 -43.7751 -5.6388 -5.6388 -5.6267 -5.6267 -3.4152 -3.4152 -3.2626 -3.2626 -3.0082 -3.0082 -2.8387 -2.8387 -2.3597 -2.3597 -2.0251 -2.0251 0.1247 0.1247 0.3170 0.3170 0.4722 0.4722 0.6291 0.6291 4.9514 4.9514 5.3467 5.3467 6.0818 6.0818 6.3522 6.3522 k = 0.5155-0.2923-0.2998 ( 20936 PWs) bands (ev): -43.7854 -43.7854 -43.7848 -43.7848 -43.7825 -43.7825 -43.7776 -43.7776 -43.7763 -43.7763 -43.7750 -43.7750 -5.6550 -5.6550 -5.6426 -5.6426 -3.4111 -3.4111 -3.2583 -3.2583 -2.9855 -2.9855 -2.8120 -2.8120 -2.3078 -2.3078 -1.9759 -1.9759 0.0653 0.0653 0.2672 0.2672 0.4426 0.4426 0.6046 0.6046 4.8843 4.8843 5.2642 5.2642 6.0315 6.0315 6.3168 6.3168 k = 0.5149-0.2801-0.2873 ( 20922 PWs) bands (ev): -43.7855 -43.7855 -43.7849 -43.7849 -43.7824 -43.7824 -43.7777 -43.7777 -43.7762 -43.7762 -43.7749 -43.7749 -5.6716 -5.6716 -5.6590 -5.6590 -3.4038 -3.4038 -3.2513 -3.2513 -2.9616 -2.9616 -2.7836 -2.7836 -2.2577 -2.2577 -1.9286 -1.9286 0.0045 0.0045 0.2155 0.2155 0.4123 0.4123 0.5787 0.5787 4.8238 4.8238 5.1879 5.1879 5.9830 5.9830 6.2818 6.2818 k = 0.5143-0.2679-0.2748 ( 20914 PWs) bands (ev): -43.7856 -43.7856 -43.7850 -43.7850 -43.7822 -43.7822 -43.7777 -43.7777 -43.7761 -43.7761 -43.7748 -43.7748 -5.6885 -5.6885 -5.6756 -5.6756 -3.3933 -3.3933 -3.2417 -3.2417 -2.9367 -2.9367 -2.7537 -2.7537 -2.2097 -2.2097 -1.8835 -1.8835 -0.0576 -0.0576 0.1623 0.1623 0.3813 0.3813 0.5519 0.5519 4.7702 4.7702 5.1180 5.1180 5.9365 5.9365 6.2475 6.2475 k = 0.5137-0.2557-0.2623 ( 20922 PWs) bands (ev): -43.7857 -43.7857 -43.7852 -43.7852 -43.7821 -43.7821 -43.7777 -43.7777 -43.7760 -43.7760 -43.7747 -43.7747 -5.7056 -5.7056 -5.6924 -5.6924 -3.3798 -3.3798 -3.2296 -3.2296 -2.9107 -2.9107 -2.7222 -2.7222 -2.1642 -2.1642 -1.8411 -1.8411 -0.1207 -0.1207 0.1077 0.1077 0.3499 0.3499 0.5243 0.5243 4.7237 4.7237 5.0549 5.0549 5.8919 5.8919 6.2139 6.2139 k = 0.5131-0.2435-0.2498 ( 20923 PWs) bands (ev): -43.7859 -43.7859 -43.7853 -43.7853 -43.7820 -43.7820 -43.7778 -43.7778 -43.7759 -43.7759 -43.7747 -43.7747 -5.7227 -5.7227 -5.7093 -5.7093 -3.3634 -3.3634 -3.2151 -3.2151 -2.8838 -2.8838 -2.6892 -2.6892 -2.1216 -2.1216 -1.8015 -1.8015 -0.1846 -0.1846 0.0518 0.0518 0.3186 0.3186 0.4962 0.4962 4.6844 4.6844 4.9987 4.9987 5.8494 5.8494 6.1812 6.1812 k = 0.5124-0.2313-0.2373 ( 20917 PWs) bands (ev): -43.7860 -43.7860 -43.7854 -43.7854 -43.7819 -43.7819 -43.7778 -43.7778 -43.7758 -43.7758 -43.7746 -43.7746 -5.7398 -5.7398 -5.7263 -5.7263 -3.3442 -3.3442 -3.1984 -3.1984 -2.8560 -2.8560 -2.6549 -2.6549 -2.0822 -2.0822 -1.7651 -1.7651 -0.2491 -0.2491 -0.0052 -0.0052 0.2876 0.2876 0.4680 0.4680 4.6525 4.6525 4.9498 4.9498 5.8089 5.8089 6.1496 6.1496 k = 0.5118-0.2191-0.2248 ( 20910 PWs) bands (ev): -43.7861 -43.7861 -43.7855 -43.7855 -43.7817 -43.7817 -43.7779 -43.7779 -43.7758 -43.7758 -43.7745 -43.7745 -5.7567 -5.7567 -5.7431 -5.7431 -3.3223 -3.3223 -3.1796 -3.1796 -2.8274 -2.8274 -2.6194 -2.6194 -2.0463 -2.0463 -1.7321 -1.7321 -0.3138 -0.3138 -0.0632 -0.0632 0.2573 0.2573 0.4398 0.4398 4.6281 4.6281 4.9083 4.9083 5.7706 5.7706 6.1192 6.1192 k = 0.5112-0.2069-0.2123 ( 20912 PWs) bands (ev): -43.7862 -43.7862 -43.7856 -43.7856 -43.7816 -43.7816 -43.7779 -43.7779 -43.7757 -43.7757 -43.7745 -43.7745 -5.7733 -5.7733 -5.7597 -5.7597 -3.2980 -3.2980 -3.1588 -3.1588 -2.7981 -2.7981 -2.5827 -2.5827 -2.0143 -2.0143 -1.7027 -1.7027 -0.3785 -0.3785 -0.1222 -0.1222 0.2282 0.2282 0.4120 0.4120 4.6112 4.6112 4.8743 4.8743 5.7343 5.7343 6.0902 6.0902 k = 0.5106-0.1948-0.1998 ( 20902 PWs) bands (ev): -43.7864 -43.7864 -43.7857 -43.7857 -43.7814 -43.7814 -43.7780 -43.7780 -43.7756 -43.7756 -43.7744 -43.7744 -5.7895 -5.7895 -5.7760 -5.7760 -3.2712 -3.2712 -3.1362 -3.1362 -2.7682 -2.7682 -2.5450 -2.5450 -1.9865 -1.9865 -1.6772 -1.6772 -0.4429 -0.4429 -0.1818 -0.1818 0.2004 0.2004 0.3846 0.3846 4.6016 4.6016 4.8481 4.8481 5.7002 5.7002 6.0628 6.0628 k = 0.5099-0.1826-0.1873 ( 20896 PWs) bands (ev): -43.7865 -43.7865 -43.7858 -43.7858 -43.7813 -43.7813 -43.7780 -43.7780 -43.7755 -43.7755 -43.7743 -43.7743 -5.8053 -5.8053 -5.7919 -5.7919 -3.2423 -3.2423 -3.1120 -3.1120 -2.7379 -2.7379 -2.5066 -2.5066 -1.9629 -1.9629 -1.6555 -1.6555 -0.5067 -0.5067 -0.2422 -0.2422 0.1746 0.1746 0.3580 0.3580 4.5994 4.5994 4.8298 4.8298 5.6683 5.6683 6.0371 6.0371 k = 0.5093-0.1704-0.1748 ( 20905 PWs) bands (ev): -43.7866 -43.7866 -43.7859 -43.7859 -43.7812 -43.7812 -43.7781 -43.7781 -43.7754 -43.7754 -43.7743 -43.7743 -5.8204 -5.8204 -5.8073 -5.8073 -3.2113 -3.2113 -3.0864 -3.0864 -2.7073 -2.7073 -2.4677 -2.4677 -1.9437 -1.9437 -1.6377 -1.6377 -0.5695 -0.5695 -0.3031 -0.3031 0.1508 0.1508 0.3322 0.3322 4.6043 4.6043 4.8194 4.8194 5.6385 5.6385 6.0133 6.0133 k = 0.5087-0.1582-0.1623 ( 20892 PWs) bands (ev): -43.7867 -43.7867 -43.7860 -43.7860 -43.7810 -43.7810 -43.7781 -43.7781 -43.7754 -43.7754 -43.7742 -43.7742 -5.8350 -5.8350 -5.8222 -5.8222 -3.1786 -3.1786 -3.0597 -3.0597 -2.6764 -2.6764 -2.4286 -2.4286 -1.9288 -1.9288 -1.6238 -1.6238 -0.6309 -0.6309 -0.3643 -0.3643 0.1294 0.1294 0.3074 0.3074 4.6159 4.6159 4.8169 4.8169 5.6110 5.6110 5.9916 5.9916 k = 0.5081-0.1460-0.1498 ( 20899 PWs) bands (ev): -43.7868 -43.7868 -43.7861 -43.7861 -43.7809 -43.7809 -43.7782 -43.7782 -43.7753 -43.7753 -43.7742 -43.7742 -5.8488 -5.8488 -5.8364 -5.8364 -3.1443 -3.1443 -3.0320 -3.0320 -2.6457 -2.6457 -2.3898 -2.3898 -1.9180 -1.9180 -1.6136 -1.6136 -0.6907 -0.6907 -0.4257 -0.4257 0.1107 0.1107 0.2836 0.2836 4.6340 4.6340 4.8223 4.8223 5.5857 5.5857 5.9724 5.9724 k = 0.5075-0.1338-0.1373 ( 20906 PWs) bands (ev): -43.7869 -43.7869 -43.7862 -43.7862 -43.7807 -43.7807 -43.7782 -43.7782 -43.7752 -43.7752 -43.7742 -43.7742 -5.8618 -5.8618 -5.8498 -5.8498 -3.1086 -3.1086 -3.0037 -3.0037 -2.6151 -2.6151 -2.3519 -2.3519 -1.9109 -1.9109 -1.6070 -1.6070 -0.7484 -0.7484 -0.4871 -0.4871 0.0946 0.0946 0.2611 0.2611 4.6579 4.6579 4.8354 4.8354 5.5627 5.5627 5.9558 5.9558 k = 0.5068-0.1216-0.1248 ( 20898 PWs) bands (ev): -43.7870 -43.7870 -43.7863 -43.7863 -43.7806 -43.7806 -43.7783 -43.7783 -43.7752 -43.7752 -43.7741 -43.7741 -5.8740 -5.8740 -5.8625 -5.8625 -3.0719 -3.0719 -2.9751 -2.9751 -2.5850 -2.5850 -2.3156 -2.3156 -1.9066 -1.9066 -1.6036 -1.6036 -0.8035 -0.8035 -0.5483 -0.5483 0.0812 0.0812 0.2398 0.2398 4.6871 4.6871 4.8559 4.8559 5.5422 5.5422 5.9422 5.9422 k = 0.5062-0.1094-0.1123 ( 20887 PWs) bands (ev): -43.7871 -43.7871 -43.7863 -43.7863 -43.7805 -43.7805 -43.7784 -43.7784 -43.7751 -43.7751 -43.7741 -43.7741 -5.8852 -5.8852 -5.8743 -5.8743 -3.0344 -3.0344 -2.9465 -2.9465 -2.5557 -2.5557 -2.2820 -2.2820 -1.9041 -1.9041 -1.6031 -1.6031 -0.8555 -0.8555 -0.6089 -0.6089 0.0705 0.0705 0.2197 0.2197 4.7208 4.7208 4.8835 4.8835 5.5243 5.5243 5.9320 5.9320 k = 0.5056-0.0973-0.0998 ( 20889 PWs) bands (ev): -43.7872 -43.7872 -43.7864 -43.7864 -43.7803 -43.7803 -43.7784 -43.7784 -43.7751 -43.7751 -43.7741 -43.7741 -5.8955 -5.8955 -5.8852 -5.8852 -2.9966 -2.9966 -2.9184 -2.9184 -2.5274 -2.5274 -2.2526 -2.2526 -1.9020 -1.9020 -1.6052 -1.6052 -0.9040 -0.9040 -0.6686 -0.6686 0.0623 0.0623 0.2009 0.2009 4.7582 4.7582 4.9174 4.9174 5.5093 5.5093 5.9255 5.9255 k = 0.5050-0.0851-0.0873 ( 20886 PWs) bands (ev): -43.7873 -43.7873 -43.7864 -43.7864 -43.7802 -43.7802 -43.7785 -43.7785 -43.7750 -43.7750 -43.7740 -43.7740 -5.9049 -5.9049 -5.8951 -5.8951 -2.9590 -2.9590 -2.8911 -2.8911 -2.5005 -2.5005 -2.2288 -2.2288 -1.8984 -1.8984 -1.6094 -1.6094 -0.9484 -0.9484 -0.7269 -0.7269 0.0566 0.0566 0.1834 0.1834 4.7983 4.7983 4.9568 4.9568 5.4977 5.4977 5.9233 5.9233 k = 0.5044-0.0729-0.0748 ( 20876 PWs) bands (ev): -43.7873 -43.7873 -43.7865 -43.7865 -43.7801 -43.7801 -43.7786 -43.7786 -43.7750 -43.7750 -43.7740 -43.7740 -5.9131 -5.9131 -5.9040 -5.9040 -2.9220 -2.9220 -2.8651 -2.8651 -2.4752 -2.4752 -2.2122 -2.2122 -1.8918 -1.8918 -1.6152 -1.6152 -0.9881 -0.9881 -0.7834 -0.7834 0.0531 0.0531 0.1671 0.1671 4.8399 4.8399 5.0002 5.0002 5.4902 5.4902 5.9258 5.9258 k = 0.5037-0.0607-0.0623 ( 20875 PWs) bands (ev): -43.7874 -43.7874 -43.7865 -43.7865 -43.7799 -43.7799 -43.7787 -43.7787 -43.7749 -43.7749 -43.7740 -43.7740 -5.9203 -5.9203 -5.9118 -5.9118 -2.8864 -2.8864 -2.8410 -2.8410 -2.4521 -2.4521 -2.2034 -2.2034 -1.8812 -1.8812 -1.6221 -1.6221 -1.0223 -1.0223 -0.8374 -0.8374 0.0517 0.0517 0.1520 0.1520 4.8817 4.8817 5.0458 5.0458 5.4883 5.4883 5.9331 5.9331 k = 0.5031-0.0485-0.0498 ( 20874 PWs) bands (ev): -43.7874 -43.7874 -43.7866 -43.7866 -43.7798 -43.7798 -43.7787 -43.7787 -43.7749 -43.7749 -43.7740 -43.7740 -5.9265 -5.9265 -5.9185 -5.9185 -2.8531 -2.8531 -2.8192 -2.8192 -2.4315 -2.4315 -2.2019 -2.2019 -1.8669 -1.8669 -1.6295 -1.6295 -1.0504 -1.0504 -0.8882 -0.8882 0.0521 0.0521 0.1381 0.1381 4.9219 4.9219 5.0907 5.0907 5.4937 5.4937 5.9444 5.9444 k = 0.5025-0.0363-0.0373 ( 20882 PWs) bands (ev): -43.7875 -43.7875 -43.7866 -43.7866 -43.7797 -43.7797 -43.7788 -43.7788 -43.7749 -43.7749 -43.7740 -43.7740 -5.9315 -5.9315 -5.9240 -5.9240 -2.8231 -2.8231 -2.8004 -2.8004 -2.4137 -2.4137 -2.2060 -2.2060 -1.8505 -1.8505 -1.6369 -1.6369 -1.0718 -1.0718 -0.9349 -0.9349 0.0540 0.0540 0.1254 0.1254 4.9589 4.9589 5.1315 5.1315 5.5091 5.5091 5.9532 5.9532 k = 0.5019-0.0241-0.0248 ( 20883 PWs) bands (ev): -43.7875 -43.7875 -43.7866 -43.7866 -43.7796 -43.7796 -43.7789 -43.7789 -43.7749 -43.7749 -43.7740 -43.7740 -5.9354 -5.9354 -5.9283 -5.9283 -2.7977 -2.7977 -2.7849 -2.7849 -2.3992 -2.3992 -2.2132 -2.2132 -1.8342 -1.8342 -1.6435 -1.6435 -1.0857 -1.0857 -0.9763 -0.9763 0.0572 0.0572 0.1141 0.1141 4.9907 4.9907 5.1646 5.1646 5.5369 5.5369 5.9305 5.9305 k = 0.5012-0.0119-0.0123 ( 20883 PWs) bands (ev): -43.7875 -43.7875 -43.7866 -43.7866 -43.7795 -43.7795 -43.7790 -43.7790 -43.7749 -43.7749 -43.7740 -43.7740 -5.9382 -5.9382 -5.9315 -5.9315 -2.7788 -2.7788 -2.7728 -2.7728 -2.3884 -2.3884 -2.2208 -2.2208 -1.8204 -1.8204 -1.6489 -1.6489 -1.0922 -1.0922 -1.0109 -1.0109 0.0611 0.0611 0.1045 0.1045 5.0154 5.0154 5.1877 5.1877 5.5777 5.5777 5.8687 5.8687 k = 0.5006 0.0002 0.0002 ( 20884 PWs) bands (ev): -43.7875 -43.7875 -43.7867 -43.7867 -43.7793 -43.7793 -43.7791 -43.7791 -43.7749 -43.7749 -43.7740 -43.7740 -5.9399 -5.9399 -5.9333 -5.9333 -2.7687 -2.7687 -2.7634 -2.7634 -2.3817 -2.3817 -2.2266 -2.2266 -1.8111 -1.8111 -1.6524 -1.6524 -1.0922 -1.0922 -1.0362 -1.0362 0.0650 0.0650 0.0973 0.0973 5.0311 5.0311 5.2008 5.2008 5.6270 5.6270 5.8017 5.8017 k = 0.5000 0.0124 0.0127 ( 20894 PWs) bands (ev): -43.7875 -43.7875 -43.7867 -43.7867 -43.7793 -43.7793 -43.7792 -43.7792 -43.7749 -43.7749 -43.7740 -43.7740 -5.9404 -5.9404 -5.9340 -5.9340 -2.7659 -2.7659 -2.7596 -2.7596 -2.3794 -2.3794 -2.2287 -2.2287 -1.8079 -1.8079 -1.6537 -1.6537 -1.0905 -1.0905 -1.0466 -1.0466 0.0668 0.0668 0.0944 0.0944 5.0364 5.0364 5.2049 5.2049 5.6592 5.6592 5.7632 5.7632 k = 0.5000 0.0124 0.0127 ( 20894 PWs) bands (ev): -43.7875 -43.7875 -43.7867 -43.7867 -43.7793 -43.7793 -43.7792 -43.7792 -43.7749 -43.7749 -43.7740 -43.7740 -5.9404 -5.9404 -5.9340 -5.9340 -2.7659 -2.7659 -2.7596 -2.7596 -2.3794 -2.3794 -2.2287 -2.2287 -1.8079 -1.8079 -1.6537 -1.6537 -1.0905 -1.0905 -1.0466 -1.0466 0.0668 0.0668 0.0944 0.0944 5.0364 5.0364 5.2049 5.2049 5.6592 5.6592 5.7632 5.7632 k = 0.5000-0.0001 0.0249 ( 20888 PWs) bands (ev): -43.7875 -43.7875 -43.7867 -43.7867 -43.7793 -43.7793 -43.7792 -43.7792 -43.7748 -43.7748 -43.7740 -43.7740 -5.9399 -5.9399 -5.9334 -5.9334 -2.7782 -2.7782 -2.7547 -2.7547 -2.3783 -2.3783 -2.2294 -2.2294 -1.8079 -1.8079 -1.6525 -1.6525 -1.1070 -1.1070 -1.0239 -1.0239 0.0411 0.0411 0.1198 0.1198 5.0127 5.0127 5.2261 5.2261 5.6597 5.6597 5.7615 5.7615 k = 0.5000-0.0126 0.0371 ( 20886 PWs) bands (ev): -43.7875 -43.7875 -43.7866 -43.7866 -43.7794 -43.7794 -43.7791 -43.7791 -43.7748 -43.7748 -43.7740 -43.7740 -5.9381 -5.9381 -5.9316 -5.9316 -2.7992 -2.7992 -2.7555 -2.7555 -2.3755 -2.3755 -2.2313 -2.2313 -1.8085 -1.8085 -1.6491 -1.6491 -1.1285 -1.1285 -0.9840 -0.9840 0.0057 0.0057 0.1547 0.1547 4.9620 4.9620 5.2683 5.2683 5.6612 5.6612 5.7587 5.7587 k = 0.5000-0.0251 0.0493 ( 20880 PWs) bands (ev): -43.7875 -43.7875 -43.7866 -43.7866 -43.7795 -43.7795 -43.7790 -43.7790 -43.7748 -43.7748 -43.7740 -43.7740 -5.9352 -5.9352 -5.9285 -5.9285 -2.8252 -2.8252 -2.7641 -2.7641 -2.3728 -2.3728 -2.2332 -2.2332 -1.8110 -1.8110 -1.6434 -1.6434 -1.1422 -1.1422 -0.9395 -0.9395 -0.0293 -0.0293 0.1894 0.1894 4.9040 4.9040 5.3094 5.3094 5.6637 5.6637 5.7603 5.7603 k = 0.5000-0.0376 0.0615 ( 20890 PWs) bands (ev): -43.7875 -43.7875 -43.7866 -43.7866 -43.7796 -43.7796 -43.7790 -43.7790 -43.7748 -43.7748 -43.7740 -43.7740 -5.9311 -5.9311 -5.9244 -5.9244 -2.8548 -2.8548 -2.7802 -2.7802 -2.3728 -2.3728 -2.2335 -2.2335 -1.8174 -1.8174 -1.6348 -1.6348 -1.1458 -1.1458 -0.8930 -0.8930 -0.0625 -0.0625 0.2230 0.2230 4.8459 4.8459 5.3394 5.3394 5.6684 5.6684 5.7714 5.7714 k = 0.5000-0.0501 0.0737 ( 20888 PWs) bands (ev): -43.7874 -43.7874 -43.7866 -43.7866 -43.7797 -43.7797 -43.7789 -43.7789 -43.7748 -43.7748 -43.7740 -43.7740 -5.9260 -5.9260 -5.9190 -5.9190 -2.8869 -2.8869 -2.8024 -2.8024 -2.3783 -2.3783 -2.2303 -2.2303 -1.8297 -1.8297 -1.6229 -1.6229 -1.1385 -1.1385 -0.8462 -0.8462 -0.0924 -0.0924 0.2554 0.2554 4.7906 4.7906 5.3546 5.3546 5.6767 5.6767 5.7939 5.7939 k = 0.5000-0.0626 0.0859 ( 20884 PWs) bands (ev): -43.7874 -43.7874 -43.7865 -43.7865 -43.7798 -43.7798 -43.7789 -43.7789 -43.7748 -43.7748 -43.7741 -43.7741 -5.9196 -5.9196 -5.9125 -5.9125 -2.9206 -2.9206 -2.8294 -2.8294 -2.3905 -2.3905 -2.2231 -2.2231 -1.8488 -1.8488 -1.6078 -1.6078 -1.1210 -1.1210 -0.8003 -0.8003 -0.1176 -0.1176 0.2863 0.2863 4.7398 4.7398 5.3560 5.3560 5.6886 5.6886 5.8263 5.8263 k = 0.5000-0.0751 0.0981 ( 20904 PWs) bands (ev): -43.7873 -43.7873 -43.7865 -43.7865 -43.7799 -43.7799 -43.7789 -43.7789 -43.7748 -43.7748 -43.7741 -43.7741 -5.9122 -5.9122 -5.9048 -5.9048 -2.9553 -2.9553 -2.8599 -2.8599 -2.4089 -2.4089 -2.2130 -2.2130 -1.8742 -1.8742 -1.5905 -1.5905 -1.0943 -1.0943 -0.7567 -0.7567 -0.1363 -0.1363 0.3158 0.3158 4.6946 4.6946 5.3480 5.3480 5.7034 5.7034 5.8647 5.8647 k = 0.5000-0.0876 0.1103 ( 20902 PWs) bands (ev): -43.7873 -43.7873 -43.7864 -43.7864 -43.7800 -43.7800 -43.7788 -43.7788 -43.7748 -43.7748 -43.7742 -43.7742 -5.9038 -5.9038 -5.8961 -5.8961 -2.9904 -2.9904 -2.8929 -2.8929 -2.4321 -2.4321 -2.2021 -2.2021 -1.9045 -1.9045 -1.5729 -1.5729 -1.0598 -1.0598 -0.7163 -0.7163 -0.1466 -0.1466 0.3438 0.3438 4.6556 4.6556 5.3352 5.3352 5.7204 5.7204 5.9050 5.9050 k = 0.5000-0.1001 0.1224 ( 20892 PWs) bands (ev): -43.7872 -43.7872 -43.7863 -43.7863 -43.7802 -43.7802 -43.7788 -43.7788 -43.7748 -43.7748 -43.7742 -43.7742 -5.8942 -5.8942 -5.8864 -5.8864 -3.0254 -3.0254 -2.9275 -2.9275 -2.4587 -2.4587 -2.1921 -2.1921 -1.9380 -1.9380 -1.5574 -1.5574 -1.0189 -1.0189 -0.6797 -0.6797 -0.1472 -0.1472 0.3705 0.3705 4.6235 4.6235 5.3209 5.3209 5.7394 5.7394 5.9438 5.9438 k = 0.5000-0.1126 0.1346 ( 20892 PWs) bands (ev): -43.7871 -43.7871 -43.7863 -43.7863 -43.7803 -43.7803 -43.7788 -43.7788 -43.7748 -43.7748 -43.7743 -43.7743 -5.8837 -5.8837 -5.8756 -5.8756 -3.0601 -3.0601 -2.9628 -2.9628 -2.4875 -2.4875 -2.1851 -2.1851 -1.9728 -1.9728 -1.5461 -1.5461 -0.9728 -0.9728 -0.6465 -0.6465 -0.1372 -0.1372 0.3960 0.3960 4.5987 4.5987 5.3074 5.3074 5.7602 5.7602 5.9793 5.9793 k = 0.5000-0.1251 0.1468 ( 20894 PWs) bands (ev): -43.7870 -43.7870 -43.7862 -43.7862 -43.7804 -43.7804 -43.7788 -43.7788 -43.7747 -43.7747 -43.7744 -43.7744 -5.8723 -5.8723 -5.8639 -5.8639 -3.0940 -3.0940 -2.9984 -2.9984 -2.5177 -2.5177 -2.1829 -2.1829 -2.0070 -2.0070 -1.5410 -1.5410 -0.9223 -0.9223 -0.6157 -0.6157 -0.1166 -0.1166 0.4203 0.4203 4.5816 4.5816 5.2962 5.2962 5.7828 5.7828 6.0109 6.0109 k = 0.5000-0.1376 0.1590 ( 20884 PWs) bands (ev): -43.7869 -43.7869 -43.7861 -43.7861 -43.7806 -43.7806 -43.7787 -43.7787 -43.7747 -43.7747 -43.7744 -43.7744 -5.8599 -5.8599 -5.8513 -5.8513 -3.1269 -3.1269 -3.0336 -3.0336 -2.5487 -2.5487 -2.1876 -2.1876 -2.0383 -2.0383 -1.5436 -1.5436 -0.8682 -0.8682 -0.5852 -0.5852 -0.0868 -0.0868 0.4437 0.4437 4.5724 4.5724 5.2882 5.2882 5.8072 5.8072 6.0389 6.0389 k = 0.5000-0.1501 0.1712 ( 20880 PWs) bands (ev): -43.7868 -43.7868 -43.7860 -43.7860 -43.7807 -43.7807 -43.7787 -43.7787 -43.7747 -43.7747 -43.7745 -43.7745 -5.8467 -5.8467 -5.8378 -5.8378 -3.1586 -3.1586 -3.0682 -3.0682 -2.5801 -2.5801 -2.2012 -2.2012 -2.0646 -2.0646 -1.5549 -1.5549 -0.8110 -0.8110 -0.5531 -0.5531 -0.0495 -0.0495 0.4664 0.4664 4.5712 4.5712 5.2840 5.2840 5.8333 5.8333 6.0641 6.0641 k = 0.5000-0.1626 0.1834 ( 20874 PWs) bands (ev): -43.7867 -43.7867 -43.7859 -43.7859 -43.7808 -43.7808 -43.7787 -43.7787 -43.7747 -43.7747 -43.7746 -43.7746 -5.8327 -5.8327 -5.8236 -5.8236 -3.1889 -3.1889 -3.1018 -3.1018 -2.6114 -2.6114 -2.2240 -2.2240 -2.0857 -2.0857 -1.5751 -1.5751 -0.7512 -0.7512 -0.5178 -0.5178 -0.0064 -0.0064 0.4884 0.4884 4.5780 4.5780 5.2840 5.2840 5.8612 5.8612 6.0874 6.0874 k = 0.5000-0.1751 0.1956 ( 20876 PWs) bands (ev): -43.7866 -43.7866 -43.7858 -43.7858 -43.7810 -43.7810 -43.7786 -43.7786 -43.7748 -43.7748 -43.7747 -43.7747 -5.8180 -5.8180 -5.8087 -5.8087 -3.2177 -3.2177 -3.1341 -3.1341 -2.6425 -2.6425 -2.2539 -2.2539 -2.1034 -2.1034 -1.6039 -1.6039 -0.6892 -0.6892 -0.4784 -0.4784 0.0407 0.0407 0.5100 0.5100 4.5930 4.5930 5.2886 5.2886 5.8908 5.8908 6.1096 6.1096 k = 0.5000-0.1876 0.2078 ( 20884 PWs) bands (ev): -43.7865 -43.7865 -43.7857 -43.7857 -43.7811 -43.7811 -43.7786 -43.7786 -43.7748 -43.7748 -43.7747 -43.7747 -5.8027 -5.8027 -5.7931 -5.7931 -3.2447 -3.2447 -3.1648 -3.1648 -2.6732 -2.6732 -2.2882 -2.2882 -2.1204 -2.1204 -1.6406 -1.6406 -0.6253 -0.6253 -0.4347 -0.4347 0.0905 0.0905 0.5312 0.5312 4.6160 4.6160 5.2980 5.2980 5.9220 5.9220 6.1312 6.1312 k = 0.5000-0.2001 0.2200 ( 20882 PWs) bands (ev): -43.7863 -43.7863 -43.7856 -43.7856 -43.7813 -43.7813 -43.7786 -43.7786 -43.7749 -43.7749 -43.7747 -43.7747 -5.7868 -5.7868 -5.7770 -5.7770 -3.2698 -3.2698 -3.1938 -3.1938 -2.7032 -2.7032 -2.3246 -2.3246 -2.1387 -2.1387 -1.6840 -1.6840 -0.5598 -0.5598 -0.3870 -0.3870 0.1419 0.1419 0.5521 0.5521 4.6469 4.6469 5.3121 5.3121 5.9547 5.9547 6.1530 6.1530 k = 0.5000-0.2126 0.2322 ( 20882 PWs) bands (ev): -43.7862 -43.7862 -43.7855 -43.7855 -43.7814 -43.7814 -43.7786 -43.7786 -43.7750 -43.7750 -43.7748 -43.7748 -5.7704 -5.7704 -5.7604 -5.7604 -3.2930 -3.2930 -3.2208 -3.2208 -2.7324 -2.7324 -2.3619 -2.3619 -2.1595 -2.1595 -1.7331 -1.7331 -0.4932 -0.4932 -0.3358 -0.3358 0.1940 0.1940 0.5728 0.5728 4.6856 4.6856 5.3312 5.3312 5.9888 5.9888 6.1752 6.1752 k = 0.5000-0.2251 0.2443 ( 20894 PWs) bands (ev): -43.7861 -43.7861 -43.7854 -43.7854 -43.7816 -43.7816 -43.7785 -43.7785 -43.7751 -43.7751 -43.7748 -43.7748 -5.7537 -5.7537 -5.7434 -5.7434 -3.3139 -3.3139 -3.2457 -3.2457 -2.7607 -2.7607 -2.3993 -2.3993 -2.1833 -2.1833 -1.7869 -1.7869 -0.4255 -0.4255 -0.2818 -0.2818 0.2461 0.2461 0.5934 0.5934 4.7318 4.7318 5.3553 5.3553 6.0241 6.0241 6.1982 6.1982 k = 0.5000-0.2377 0.2565 ( 20910 PWs) bands (ev): -43.7859 -43.7859 -43.7853 -43.7853 -43.7817 -43.7817 -43.7785 -43.7785 -43.7752 -43.7752 -43.7748 -43.7748 -5.7366 -5.7366 -5.7262 -5.7262 -3.3327 -3.3327 -3.2683 -3.2683 -2.7880 -2.7880 -2.4362 -2.4362 -2.2103 -2.2103 -1.8442 -1.8442 -0.3572 -0.3572 -0.2255 -0.2255 0.2977 0.2977 0.6136 0.6136 4.7854 4.7854 5.3844 5.3844 6.0605 6.0605 6.2223 6.2223 k = 0.5000-0.2502 0.2687 ( 20918 PWs) bands (ev): -43.7858 -43.7858 -43.7852 -43.7852 -43.7818 -43.7818 -43.7785 -43.7785 -43.7754 -43.7754 -43.7749 -43.7749 -5.7194 -5.7194 -5.7087 -5.7087 -3.3490 -3.3490 -3.2884 -3.2884 -2.8142 -2.8142 -2.4724 -2.4724 -2.2406 -2.2406 -1.9043 -1.9043 -0.2886 -0.2886 -0.1677 -0.1677 0.3482 0.3482 0.6336 0.6336 4.8461 4.8461 5.4185 5.4185 6.0977 6.0977 6.2477 6.2477 k = 0.5000-0.2627 0.2809 ( 20922 PWs) bands (ev): -43.7857 -43.7857 -43.7851 -43.7851 -43.7820 -43.7820 -43.7784 -43.7784 -43.7755 -43.7755 -43.7749 -43.7749 -5.7022 -5.7022 -5.6913 -5.6913 -3.3629 -3.3629 -3.3060 -3.3060 -2.8393 -2.8393 -2.5077 -2.5077 -2.2741 -2.2741 -1.9664 -1.9664 -0.2198 -0.2198 -0.1089 -0.1089 0.3973 0.3973 0.6531 0.6531 4.9137 4.9137 5.4576 5.4576 6.1352 6.1352 6.2744 6.2744 k = 0.5000-0.2752 0.2931 ( 20912 PWs) bands (ev): -43.7855 -43.7855 -43.7850 -43.7850 -43.7821 -43.7821 -43.7784 -43.7784 -43.7756 -43.7756 -43.7750 -43.7750 -5.6850 -5.6850 -5.6738 -5.6738 -3.3742 -3.3742 -3.3209 -3.3209 -2.8633 -2.8633 -2.5420 -2.5420 -2.3104 -2.3104 -2.0297 -2.0297 -0.1513 -0.1513 -0.0497 -0.0497 0.4447 0.4447 0.6721 0.6721 4.9878 4.9878 5.5017 5.5017 6.1728 6.1728 6.3023 6.3023 k = 0.5000-0.2877 0.3053 ( 20914 PWs) bands (ev): -43.7854 -43.7854 -43.7848 -43.7848 -43.7822 -43.7822 -43.7783 -43.7783 -43.7757 -43.7757 -43.7750 -43.7750 -5.6679 -5.6679 -5.6566 -5.6566 -3.3828 -3.3828 -3.3330 -3.3330 -2.8859 -2.8859 -2.5753 -2.5753 -2.3495 -2.3495 -2.0936 -2.0936 -0.0833 -0.0833 0.0097 0.0097 0.4899 0.4899 0.6904 0.6904 5.0682 5.0682 5.5508 5.5508 6.2096 6.2096 6.3309 6.3309 k = 0.5000-0.3002 0.3175 ( 20922 PWs) bands (ev): -43.7852 -43.7852 -43.7847 -43.7847 -43.7824 -43.7824 -43.7783 -43.7783 -43.7758 -43.7758 -43.7751 -43.7751 -5.6512 -5.6512 -5.6396 -5.6396 -3.3887 -3.3887 -3.3422 -3.3422 -2.9074 -2.9074 -2.6075 -2.6075 -2.3909 -2.3909 -2.1576 -2.1576 -0.0160 -0.0160 0.0686 0.0686 0.5327 0.5327 0.7077 0.7077 5.1545 5.1545 5.6048 5.6048 6.2446 6.2446 6.3590 6.3590 k = 0.5000-0.3127 0.3297 ( 20924 PWs) bands (ev): -43.7851 -43.7851 -43.7846 -43.7846 -43.7825 -43.7825 -43.7782 -43.7782 -43.7760 -43.7760 -43.7752 -43.7752 -5.6348 -5.6348 -5.6230 -5.6230 -3.3918 -3.3918 -3.3484 -3.3484 -2.9275 -2.9275 -2.6387 -2.6387 -2.4344 -2.4344 -2.2210 -2.2210 0.0501 0.0501 0.1267 0.1267 0.5728 0.5728 0.7240 0.7240 5.2465 5.2465 5.6636 5.6636 6.2760 6.2760 6.3847 6.3847 k = 0.5000-0.3252 0.3419 ( 20920 PWs) bands (ev): -43.7850 -43.7850 -43.7845 -43.7845 -43.7826 -43.7826 -43.7781 -43.7781 -43.7761 -43.7761 -43.7752 -43.7752 -5.6190 -5.6190 -5.6069 -5.6069 -3.3921 -3.3921 -3.3515 -3.3515 -2.9463 -2.9463 -2.6690 -2.6690 -2.4798 -2.4798 -2.2832 -2.2832 0.1150 0.1150 0.1837 0.1837 0.6098 0.6098 0.7389 0.7389 5.3436 5.3436 5.7273 5.7273 6.3015 6.3015 6.4080 6.4080 k = 0.5000-0.3377 0.3540 ( 20918 PWs) bands (ev): -43.7848 -43.7848 -43.7844 -43.7844 -43.7827 -43.7827 -43.7780 -43.7780 -43.7762 -43.7762 -43.7753 -43.7753 -5.6038 -5.6038 -5.5915 -5.5915 -3.3893 -3.3893 -3.3515 -3.3515 -2.9637 -2.9637 -2.6987 -2.6987 -2.5266 -2.5266 -2.3436 -2.3436 0.1781 0.1781 0.2393 0.2393 0.6436 0.6436 0.7523 0.7523 5.4455 5.4455 5.7957 5.7957 6.3190 6.3190 6.4324 6.4324 k = 0.5000-0.3502 0.3662 ( 20924 PWs) bands (ev): -43.7847 -43.7847 -43.7843 -43.7843 -43.7828 -43.7828 -43.7780 -43.7780 -43.7763 -43.7763 -43.7754 -43.7754 -5.5894 -5.5894 -5.5768 -5.5768 -3.3836 -3.3836 -3.3483 -3.3483 -2.9798 -2.9798 -2.7279 -2.7279 -2.5747 -2.5747 -2.4015 -2.4015 0.2394 0.2394 0.2931 0.2931 0.6739 0.6739 0.7640 0.7640 5.5518 5.5518 5.8689 5.8689 6.3290 6.3290 6.4607 6.4607 k = 0.5000-0.3627 0.3784 ( 20928 PWs) bands (ev): -43.7846 -43.7846 -43.7842 -43.7842 -43.7829 -43.7829 -43.7779 -43.7779 -43.7764 -43.7764 -43.7755 -43.7755 -5.5758 -5.5758 -5.5630 -5.5630 -3.3749 -3.3749 -3.3419 -3.3419 -2.9945 -2.9945 -2.7571 -2.7571 -2.6239 -2.6239 -2.4560 -2.4560 0.2984 0.2984 0.3449 0.3449 0.7005 0.7005 0.7738 0.7738 5.6618 5.6618 5.9466 5.9466 6.3342 6.3342 6.4925 6.4925 k = 0.5000-0.3752 0.3906 ( 20936 PWs) bands (ev): -43.7845 -43.7845 -43.7841 -43.7841 -43.7830 -43.7830 -43.7778 -43.7778 -43.7766 -43.7766 -43.7756 -43.7756 -5.5632 -5.5632 -5.5502 -5.5502 -3.3631 -3.3631 -3.3324 -3.3324 -3.0078 -3.0078 -2.7867 -2.7867 -2.6737 -2.6737 -2.5064 -2.5064 0.3549 0.3549 0.3944 0.3944 0.7232 0.7232 0.7815 0.7815 5.7750 5.7750 6.0287 6.0287 6.3371 6.3371 6.5264 6.5264 k = 0.5000-0.3877 0.4028 ( 20938 PWs) bands (ev): -43.7844 -43.7844 -43.7840 -43.7840 -43.7831 -43.7831 -43.7777 -43.7777 -43.7767 -43.7767 -43.7757 -43.7757 -5.5516 -5.5516 -5.5384 -5.5384 -3.3482 -3.3482 -3.3199 -3.3199 -3.0197 -3.0197 -2.8171 -2.8171 -2.7241 -2.7241 -2.5517 -2.5517 0.4086 0.4086 0.4414 0.4414 0.7418 0.7418 0.7868 0.7868 5.8905 5.8905 6.1150 6.1150 6.3394 6.3394 6.5611 6.5611 k = 0.5000-0.4002 0.4150 ( 20928 PWs) bands (ev): -43.7843 -43.7843 -43.7839 -43.7839 -43.7832 -43.7832 -43.7776 -43.7776 -43.7768 -43.7768 -43.7758 -43.7758 -5.5412 -5.5412 -5.5278 -5.5278 -3.3303 -3.3303 -3.3043 -3.3043 -3.0303 -3.0303 -2.8488 -2.8488 -2.7745 -2.7745 -2.5913 -2.5913 0.4591 0.4591 0.4856 0.4856 0.7561 0.7561 0.7898 0.7898 6.0072 6.0072 6.2051 6.2051 6.3424 6.3424 6.5956 6.5956 k = 0.5000-0.4127 0.4272 ( 20940 PWs) bands (ev): -43.7842 -43.7842 -43.7838 -43.7838 -43.7833 -43.7833 -43.7775 -43.7775 -43.7768 -43.7768 -43.7759 -43.7759 -5.5320 -5.5320 -5.5185 -5.5185 -3.3094 -3.3094 -3.2860 -3.2860 -3.0394 -3.0394 -2.8819 -2.8819 -2.8246 -2.8246 -2.6249 -2.6249 0.5062 0.5062 0.5267 0.5267 0.7662 0.7662 0.7902 0.7902 6.1232 6.1232 6.2968 6.2968 6.3486 6.3486 6.6292 6.6292 k = 0.5000-0.4252 0.4394 ( 20934 PWs) bands (ev): -43.7841 -43.7841 -43.7838 -43.7838 -43.7833 -43.7833 -43.7774 -43.7774 -43.7769 -43.7769 -43.7760 -43.7760 -5.5241 -5.5241 -5.5104 -5.5104 -3.2856 -3.2856 -3.2650 -3.2650 -3.0472 -3.0472 -2.9162 -2.9162 -2.8738 -2.8738 -2.6522 -2.6522 0.5495 0.5495 0.5646 0.5646 0.7719 0.7719 0.7880 0.7880 6.2336 6.2336 6.3510 6.3510 6.4001 6.4001 6.6609 6.6609 k = 0.5000-0.4377 0.4516 ( 20938 PWs) bands (ev): -43.7840 -43.7840 -43.7837 -43.7837 -43.7834 -43.7834 -43.7773 -43.7773 -43.7770 -43.7770 -43.7761 -43.7761 -5.5176 -5.5176 -5.5038 -5.5038 -3.2592 -3.2592 -3.2419 -3.2419 -3.0536 -3.0536 -2.9511 -2.9511 -2.9216 -2.9216 -2.6737 -2.6737 0.5886 0.5886 0.5989 0.5989 0.7734 0.7734 0.7833 0.7833 6.3114 6.3114 6.3937 6.3937 6.4942 6.4942 6.6895 6.6895 k = 0.5000-0.4502 0.4637 ( 20944 PWs) bands (ev): -43.7839 -43.7839 -43.7837 -43.7837 -43.7835 -43.7835 -43.7772 -43.7772 -43.7770 -43.7770 -43.7762 -43.7762 -5.5125 -5.5125 -5.4985 -5.4985 -3.2307 -3.2307 -3.2171 -3.2171 -3.0586 -3.0586 -2.9855 -2.9855 -2.9670 -2.9670 -2.6898 -2.6898 0.6229 0.6229 0.6292 0.6292 0.7709 0.7709 0.7763 0.7763 6.3320 6.3320 6.4883 6.4883 6.5860 6.5860 6.7137 6.7137 k = 0.5000-0.4627 0.4759 ( 20940 PWs) bands (ev): -43.7839 -43.7839 -43.7836 -43.7836 -43.7835 -43.7835 -43.7772 -43.7772 -43.7771 -43.7771 -43.7763 -43.7763 -5.5088 -5.5088 -5.4948 -5.4948 -3.2014 -3.2014 -3.1922 -3.1922 -3.0625 -3.0625 -3.0177 -3.0177 -3.0085 -3.0085 -2.7009 -2.7009 0.6513 0.6513 0.6544 0.6544 0.7654 0.7654 0.7678 0.7678 6.3381 6.3381 6.5912 6.5912 6.6666 6.6666 6.7325 6.7325 k = 0.5000-0.4752 0.4881 ( 20956 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5066 -5.5066 -5.4925 -5.4925 -3.1750 -3.1750 -3.1702 -3.1702 -3.0660 -3.0660 -3.0441 -3.0441 -3.0410 -3.0410 -2.7073 -2.7073 0.6716 0.6716 0.6727 0.6727 0.7589 0.7589 0.7597 0.7597 6.3407 6.3407 6.6857 6.6857 6.7234 6.7234 6.7461 6.7461 k = 0.5000-0.4877 0.5003 ( 20936 PWs) bands (ev): -43.7838 -43.7838 -43.7836 -43.7836 -43.7836 -43.7836 -43.7771 -43.7771 -43.7771 -43.7771 -43.7763 -43.7763 -5.5058 -5.5058 -5.4917 -5.4917 -3.1633 -3.1633 -3.1593 -3.1593 -3.0696 -3.0696 -3.0559 -3.0559 -3.0530 -3.0530 -2.7095 -2.7095 0.6792 0.6792 0.6799 0.6799 0.7554 0.7554 0.7562 0.7562 6.3415 6.3415 6.7372 6.7372 6.7424 6.7424 6.7559 6.7559 Writing output data file Li3AlH6.save init_run : 0.40s CPU 0.56s WALL ( 1 calls) electrons : 340.75s CPU 343.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 340.74s CPU 343.97s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.42s WALL ( 311 calls) cegterg : 283.78s CPU 285.57s WALL ( 446 calls) Called by sum_band: Called by *egterg: h_psi : 210.82s CPU 212.22s WALL ( 7422 calls) s_psi : 13.78s CPU 13.82s WALL ( 7422 calls) g_psi : 0.96s CPU 0.94s WALL ( 6665 calls) cdiaghg : 43.01s CPU 43.68s WALL ( 6976 calls) cegterg:over : 18.39s CPU 18.33s WALL ( 6665 calls) cegterg:upda : 21.12s CPU 21.09s WALL ( 6665 calls) cegterg:last : 10.23s CPU 10.26s WALL ( 1136 calls) cdiaghg:chol : 2.46s CPU 2.58s WALL ( 6976 calls) cdiaghg:inve : 1.52s CPU 1.54s WALL ( 6976 calls) cdiaghg:para : 2.46s CPU 2.53s WALL ( 13952 calls) Called by h_psi: h_psi:vloc : 180.48s CPU 181.82s WALL ( 7422 calls) h_psi:vnl : 29.12s CPU 29.20s WALL ( 7422 calls) add_vuspsi : 14.14s CPU 14.19s WALL ( 7422 calls) General routines calbec : 14.94s CPU 14.98s WALL ( 7422 calls) fft : 0.02s CPU 0.01s WALL ( 15 calls) fftw : 170.27s CPU 171.61s WALL ( 698296 calls) davcio : 0.35s CPU 0.82s WALL ( 622 calls) Parallel routines fft_scatter : 55.15s CPU 55.88s WALL ( 698311 calls) PWSCF : 6m20.09s CPU 6m42.59s WALL This run was terminated on: 19:34:18 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=