Program PWSCF v.5.1.1 starts on 21Jul2015 at 3:33:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./HBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 16 5 429 313 50 Max 21 17 6 433 330 53 Sum 999 811 245 20705 15325 2487 bravais-lattice index = 14 lattice parameter (alat) = 7.8241 a.u. unit-cell volume = 320.4699 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.824103 celldm(2)= 0.993037 celldm(3)= 0.955996 celldm(4)= 0.474040 celldm(5)= 0.485256 celldm(6)= 0.539856 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.536097 0.835896 0.000000 ) a(3) = ( 0.463903 0.240853 0.800445 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.641345 -0.386576 ) b(2) = ( 0.000000 1.196321 -0.359972 ) b(3) = ( 0.000000 0.000000 1.249305 ) PseudoPot. # 1 for H read from file: /home/autes/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 Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 510 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 k( 2) = ( 0.0089286 -0.0057263 0.0077029), wk = 0.0019608 k( 3) = ( 0.0178571 -0.0114526 0.0154059), wk = 0.0019608 k( 4) = ( 0.0267857 -0.0171789 0.0231088), wk = 0.0019608 k( 5) = ( 0.0357143 -0.0229052 0.0308118), wk = 0.0019608 k( 6) = ( 0.0446429 -0.0286315 0.0385147), wk = 0.0019608 k( 7) = ( 0.0535714 -0.0343578 0.0462176), wk = 0.0019608 k( 8) = ( 0.0625000 -0.0400840 0.0539206), wk = 0.0019608 k( 9) = ( 0.0714286 -0.0458103 0.0616235), wk = 0.0019608 k( 10) = ( 0.0803571 -0.0515366 0.0693265), wk = 0.0019608 k( 11) = ( 0.0892857 -0.0572629 0.0770294), wk = 0.0019608 k( 12) = ( 0.0982143 -0.0629892 0.0847324), wk = 0.0019608 k( 13) = ( 0.1071429 -0.0687155 0.0924353), wk = 0.0019608 k( 14) = ( 0.1160714 -0.0744418 0.1001382), wk = 0.0019608 k( 15) = ( 0.1250000 -0.0801681 0.1078412), wk = 0.0019608 k( 16) = ( 0.1339286 -0.0858944 0.1155441), wk = 0.0019608 k( 17) = ( 0.1428571 -0.0916207 0.1232471), wk = 0.0019608 k( 18) = ( 0.1517857 -0.0973470 0.1309500), wk = 0.0019608 k( 19) = ( 0.1607143 -0.1030733 0.1386529), wk = 0.0019608 k( 20) = ( 0.1696429 -0.1087995 0.1463559), wk = 0.0019608 k( 21) = ( 0.1785714 -0.1145258 0.1540588), wk = 0.0019608 k( 22) = ( 0.1875000 -0.1202521 0.1617618), wk = 0.0019608 k( 23) = ( 0.1964286 -0.1259784 0.1694647), wk = 0.0019608 k( 24) = ( 0.2053571 -0.1317047 0.1771676), wk = 0.0019608 k( 25) = ( 0.2142857 -0.1374310 0.1848706), wk = 0.0019608 k( 26) = ( 0.2232143 -0.1431573 0.1925735), wk = 0.0019608 k( 27) = ( 0.2321429 -0.1488836 0.2002765), wk = 0.0019608 k( 28) = ( 0.2410714 -0.1546099 0.2079794), wk = 0.0019608 k( 29) = ( 0.2500000 -0.1603362 0.2156823), wk = 0.0019608 k( 30) = ( 0.2589286 -0.1660625 0.2233853), wk = 0.0019608 k( 31) = ( 0.2678571 -0.1717888 0.2310882), wk = 0.0019608 k( 32) = ( 0.2767857 -0.1775150 0.2387912), wk = 0.0019608 k( 33) = ( 0.2857143 -0.1832413 0.2464941), wk = 0.0019608 k( 34) = ( 0.2946429 -0.1889676 0.2541971), wk = 0.0019608 k( 35) = ( 0.3035714 -0.1946939 0.2619000), wk = 0.0019608 k( 36) = ( 0.3125000 -0.2004202 0.2696029), wk = 0.0019608 k( 37) = ( 0.3214286 -0.2061465 0.2773059), wk = 0.0019608 k( 38) = ( 0.3303571 -0.2118728 0.2850088), wk = 0.0019608 k( 39) = ( 0.3392857 -0.2175991 0.2927118), wk = 0.0019608 k( 40) = ( 0.3482143 -0.2233254 0.3004147), wk = 0.0019608 k( 41) = ( 0.3571429 -0.2290517 0.3081176), wk = 0.0019608 k( 42) = ( 0.3660714 -0.2347780 0.3158206), wk = 0.0019608 k( 43) = ( 0.3750000 -0.2405043 0.3235235), wk = 0.0019608 k( 44) = ( 0.3839286 -0.2462305 0.3312265), wk = 0.0019608 k( 45) = ( 0.3928571 -0.2519568 0.3389294), wk = 0.0019608 k( 46) = ( 0.4017857 -0.2576831 0.3466323), wk = 0.0019608 k( 47) = ( 0.4107143 -0.2634094 0.3543353), wk = 0.0019608 k( 48) = ( 0.4196429 -0.2691357 0.3620382), wk = 0.0019608 k( 49) = ( 0.4285714 -0.2748620 0.3697412), wk = 0.0019608 k( 50) = ( 0.4375000 -0.2805883 0.3774441), wk = 0.0019608 k( 51) = ( 0.4464286 -0.2863146 0.3851470), wk = 0.0019608 k( 52) = ( 0.4553571 -0.2920409 0.3928500), wk = 0.0019608 k( 53) = ( 0.4642857 -0.2977672 0.4005529), wk = 0.0019608 k( 54) = ( 0.4732143 -0.3034935 0.4082559), wk = 0.0019608 k( 55) = ( 0.4821429 -0.3092198 0.4159588), wk = 0.0019608 k( 56) = ( 0.4910714 -0.3149460 0.4236618), wk = 0.0019608 k( 57) = ( 0.5000000 -0.3206723 0.4313647), wk = 0.0019608 k( 58) = ( 0.5000000 -0.3206723 0.4313647), wk = 0.0019608 k( 59) = ( 0.5000000 -0.3102720 0.4390962), wk = 0.0019608 k( 60) = ( 0.5000000 -0.2998716 0.4468277), wk = 0.0019608 k( 61) = ( 0.5000000 -0.2894713 0.4545593), wk = 0.0019608 k( 62) = ( 0.5000000 -0.2790709 0.4622908), wk = 0.0019608 k( 63) = ( 0.5000000 -0.2686706 0.4700223), wk = 0.0019608 k( 64) = ( 0.5000000 -0.2582702 0.4777538), wk = 0.0019608 k( 65) = ( 0.5000000 -0.2478699 0.4854853), wk = 0.0019608 k( 66) = ( 0.5000000 -0.2374695 0.4932169), wk = 0.0019608 k( 67) = ( 0.5000000 -0.2270692 0.5009484), wk = 0.0019608 k( 68) = ( 0.5000000 -0.2166688 0.5086799), wk = 0.0019608 k( 69) = ( 0.5000000 -0.2062685 0.5164114), wk = 0.0019608 k( 70) = ( 0.5000000 -0.1958681 0.5241429), wk = 0.0019608 k( 71) = ( 0.5000000 -0.1854678 0.5318745), wk = 0.0019608 k( 72) = ( 0.5000000 -0.1750674 0.5396060), wk = 0.0019608 k( 73) = ( 0.5000000 -0.1646671 0.5473375), wk = 0.0019608 k( 74) = ( 0.5000000 -0.1542667 0.5550690), wk = 0.0019608 k( 75) = ( 0.5000000 -0.1438664 0.5628005), wk = 0.0019608 k( 76) = ( 0.5000000 -0.1334660 0.5705321), wk = 0.0019608 k( 77) = ( 0.5000000 -0.1230657 0.5782636), wk = 0.0019608 k( 78) = ( 0.5000000 -0.1126653 0.5859951), wk = 0.0019608 k( 79) = ( 0.5000000 -0.1022650 0.5937266), wk = 0.0019608 k( 80) = ( 0.5000000 -0.0918646 0.6014581), wk = 0.0019608 k( 81) = ( 0.5000000 -0.0814643 0.6091897), wk = 0.0019608 k( 82) = ( 0.5000000 -0.0710639 0.6169212), wk = 0.0019608 k( 83) = ( 0.5000000 -0.0606636 0.6246527), wk = 0.0019608 k( 84) = ( 0.5000000 -0.0606636 0.6246527), wk = 0.0019608 k( 85) = ( 0.4936657 -0.0492500 0.6246527), wk = 0.0019608 k( 86) = ( 0.4873315 -0.0378364 0.6246527), wk = 0.0019608 k( 87) = ( 0.4809972 -0.0264228 0.6246527), wk = 0.0019608 k( 88) = ( 0.4746629 -0.0150093 0.6246527), wk = 0.0019608 k( 89) = ( 0.4683287 -0.0035957 0.6246527), wk = 0.0019608 k( 90) = ( 0.4619944 0.0078179 0.6246527), wk = 0.0019608 k( 91) = ( 0.4556601 0.0192314 0.6246527), wk = 0.0019608 k( 92) = ( 0.4493259 0.0306450 0.6246527), wk = 0.0019608 k( 93) = ( 0.4429916 0.0420586 0.6246527), wk = 0.0019608 k( 94) = ( 0.4366574 0.0534722 0.6246527), wk = 0.0019608 k( 95) = ( 0.4303231 0.0648857 0.6246527), wk = 0.0019608 k( 96) = ( 0.4239888 0.0762993 0.6246527), wk = 0.0019608 k( 97) = ( 0.4176546 0.0877129 0.6246527), wk = 0.0019608 k( 98) = ( 0.4113203 0.0991265 0.6246527), wk = 0.0019608 k( 99) = ( 0.4049860 0.1105400 0.6246527), wk = 0.0019608 k( 100) = ( 0.3986518 0.1219536 0.6246527), wk = 0.0019608 k( 101) = ( 0.3923175 0.1333672 0.6246527), wk = 0.0019608 k( 102) = ( 0.3859832 0.1447807 0.6246527), wk = 0.0019608 k( 103) = ( 0.3796490 0.1561943 0.6246527), wk = 0.0019608 k( 104) = ( 0.3733147 0.1676079 0.6246527), wk = 0.0019608 k( 105) = ( 0.3669805 0.1790215 0.6246527), wk = 0.0019608 k( 106) = ( 0.3606462 0.1904350 0.6246527), wk = 0.0019608 k( 107) = ( 0.3543119 0.2018486 0.6246527), wk = 0.0019608 k( 108) = ( 0.3479777 0.2132622 0.6246527), wk = 0.0019608 k( 109) = ( 0.3416434 0.2246758 0.6246527), wk = 0.0019608 k( 110) = ( 0.3353091 0.2360893 0.6246527), wk = 0.0019608 k( 111) = ( 0.3289749 0.2475029 0.6246527), wk = 0.0019608 k( 112) = ( 0.3226406 0.2589165 0.6246527), wk = 0.0019608 k( 113) = ( 0.3163063 0.2703300 0.6246527), wk = 0.0019608 k( 114) = ( 0.3099721 0.2817436 0.6246527), wk = 0.0019608 k( 115) = ( 0.3036378 0.2931572 0.6246527), wk = 0.0019608 k( 116) = ( 0.2973036 0.3045708 0.6246527), wk = 0.0019608 k( 117) = ( 0.2909693 0.3159843 0.6246527), wk = 0.0019608 k( 118) = ( 0.2846350 0.3273979 0.6246527), wk = 0.0019608 k( 119) = ( 0.2783008 0.3388115 0.6246527), wk = 0.0019608 k( 120) = ( 0.2719665 0.3502251 0.6246527), wk = 0.0019608 k( 121) = ( 0.2656322 0.3616386 0.6246527), wk = 0.0019608 k( 122) = ( 0.2592980 0.3730522 0.6246527), wk = 0.0019608 k( 123) = ( 0.2529637 0.3844658 0.6246527), wk = 0.0019608 k( 124) = ( 0.2466294 0.3958793 0.6246527), wk = 0.0019608 k( 125) = ( 0.2402952 0.4072929 0.6246527), wk = 0.0019608 k( 126) = ( 0.2339609 0.4187065 0.6246527), wk = 0.0019608 k( 127) = ( 0.2276267 0.4301201 0.6246527), wk = 0.0019608 k( 128) = ( 0.2212924 0.4415336 0.6246527), wk = 0.0019608 k( 129) = ( 0.2149581 0.4529472 0.6246527), wk = 0.0019608 k( 130) = ( 0.2086238 0.4643608 0.6246527), wk = 0.0019608 k( 131) = ( 0.2086238 0.4643608 0.6246527), wk = 0.0019608 k( 132) = ( 0.1999312 0.4699358 0.6171533), wk = 0.0019608 k( 133) = ( 0.1912385 0.4755108 0.6096539), wk = 0.0019608 k( 134) = ( 0.1825459 0.4810857 0.6021545), wk = 0.0019608 k( 135) = ( 0.1738532 0.4866607 0.5946550), wk = 0.0019608 k( 136) = ( 0.1651605 0.4922357 0.5871556), wk = 0.0019608 k( 137) = ( 0.1564679 0.4978107 0.5796562), wk = 0.0019608 k( 138) = ( 0.1477752 0.5033857 0.5721568), wk = 0.0019608 k( 139) = ( 0.1390826 0.5089607 0.5646574), wk = 0.0019608 k( 140) = ( 0.1303899 0.5145357 0.5571580), wk = 0.0019608 k( 141) = ( 0.1216973 0.5201107 0.5496586), wk = 0.0019608 k( 142) = ( 0.1130046 0.5256857 0.5421592), wk = 0.0019608 k( 143) = ( 0.1043119 0.5312607 0.5346597), wk = 0.0019608 k( 144) = ( 0.0956193 0.5368357 0.5271603), wk = 0.0019608 k( 145) = ( 0.0869266 0.5424107 0.5196609), wk = 0.0019608 k( 146) = ( 0.0782339 0.5479856 0.5121615), wk = 0.0019608 k( 147) = ( 0.0695413 0.5535606 0.5046621), wk = 0.0019608 k( 148) = ( 0.0608486 0.5591356 0.4971627), wk = 0.0019608 k( 149) = ( 0.0521560 0.5647106 0.4896633), wk = 0.0019608 k( 150) = ( 0.0434633 0.5702856 0.4821638), wk = 0.0019608 k( 151) = ( 0.0347706 0.5758606 0.4746644), wk = 0.0019608 k( 152) = ( 0.0260780 0.5814356 0.4671650), wk = 0.0019608 k( 153) = ( 0.0173853 0.5870106 0.4596656), wk = 0.0019608 k( 154) = ( 0.0086927 0.5925856 0.4521662), wk = 0.0019608 k( 155) = ( 0.0000000 0.5981606 0.4446668), wk = 0.0019608 k( 156) = ( 0.0000000 0.5981606 0.4446668), wk = 0.0019608 k( 157) = ( 0.0000000 0.5876665 0.4368656), wk = 0.0019608 k( 158) = ( 0.0000000 0.5771725 0.4290644), wk = 0.0019608 k( 159) = ( 0.0000000 0.5666784 0.4212633), wk = 0.0019608 k( 160) = ( 0.0000000 0.5561844 0.4134621), wk = 0.0019608 k( 161) = ( 0.0000000 0.5456903 0.4056609), wk = 0.0019608 k( 162) = ( 0.0000000 0.5351963 0.3978597), wk = 0.0019608 k( 163) = ( 0.0000000 0.5247023 0.3900586), wk = 0.0019608 k( 164) = ( 0.0000000 0.5142082 0.3822574), wk = 0.0019608 k( 165) = ( 0.0000000 0.5037142 0.3744562), wk = 0.0019608 k( 166) = ( 0.0000000 0.4932201 0.3666551), wk = 0.0019608 k( 167) = ( 0.0000000 0.4827261 0.3588539), wk = 0.0019608 k( 168) = ( 0.0000000 0.4722320 0.3510527), wk = 0.0019608 k( 169) = ( 0.0000000 0.4617380 0.3432515), wk = 0.0019608 k( 170) = ( 0.0000000 0.4512439 0.3354504), wk = 0.0019608 k( 171) = ( 0.0000000 0.4407499 0.3276492), wk = 0.0019608 k( 172) = ( 0.0000000 0.4302558 0.3198480), wk = 0.0019608 k( 173) = ( 0.0000000 0.4197618 0.3120469), wk = 0.0019608 k( 174) = ( 0.0000000 0.4092678 0.3042457), wk = 0.0019608 k( 175) = ( 0.0000000 0.3987737 0.2964445), wk = 0.0019608 k( 176) = ( 0.0000000 0.3882797 0.2886433), wk = 0.0019608 k( 177) = ( 0.0000000 0.3777856 0.2808422), wk = 0.0019608 k( 178) = ( 0.0000000 0.3672916 0.2730410), wk = 0.0019608 k( 179) = ( 0.0000000 0.3567975 0.2652398), wk = 0.0019608 k( 180) = ( 0.0000000 0.3463035 0.2574387), wk = 0.0019608 k( 181) = ( 0.0000000 0.3358094 0.2496375), wk = 0.0019608 k( 182) = ( 0.0000000 0.3253154 0.2418363), wk = 0.0019608 k( 183) = ( 0.0000000 0.3148213 0.2340351), wk = 0.0019608 k( 184) = ( 0.0000000 0.3043273 0.2262340), wk = 0.0019608 k( 185) = ( 0.0000000 0.2938333 0.2184328), wk = 0.0019608 k( 186) = ( 0.0000000 0.2833392 0.2106316), wk = 0.0019608 k( 187) = ( 0.0000000 0.2728452 0.2028305), wk = 0.0019608 k( 188) = ( 0.0000000 0.2623511 0.1950293), wk = 0.0019608 k( 189) = ( 0.0000000 0.2518571 0.1872281), wk = 0.0019608 k( 190) = ( 0.0000000 0.2413630 0.1794269), wk = 0.0019608 k( 191) = ( 0.0000000 0.2308690 0.1716258), wk = 0.0019608 k( 192) = ( 0.0000000 0.2203750 0.1638246), wk = 0.0019608 k( 193) = ( 0.0000000 0.2098809 0.1560234), wk = 0.0019608 k( 194) = ( 0.0000000 0.1993869 0.1482223), wk = 0.0019608 k( 195) = ( 0.0000000 0.1888928 0.1404211), wk = 0.0019608 k( 196) = ( 0.0000000 0.1783988 0.1326199), wk = 0.0019608 k( 197) = ( 0.0000000 0.1679047 0.1248187), wk = 0.0019608 k( 198) = ( 0.0000000 0.1574107 0.1170176), wk = 0.0019608 k( 199) = ( 0.0000000 0.1469166 0.1092164), wk = 0.0019608 k( 200) = ( 0.0000000 0.1364226 0.1014152), wk = 0.0019608 k( 201) = ( 0.0000000 0.1259285 0.0936141), wk = 0.0019608 k( 202) = ( 0.0000000 0.1154345 0.0858129), wk = 0.0019608 k( 203) = ( 0.0000000 0.1049405 0.0780117), wk = 0.0019608 k( 204) = ( 0.0000000 0.0944464 0.0702105), wk = 0.0019608 k( 205) = ( 0.0000000 0.0839524 0.0624094), wk = 0.0019608 k( 206) = ( 0.0000000 0.0734583 0.0546082), wk = 0.0019608 k( 207) = ( 0.0000000 0.0629643 0.0468070), wk = 0.0019608 k( 208) = ( 0.0000000 0.0524702 0.0390059), wk = 0.0019608 k( 209) = ( 0.0000000 0.0419762 0.0312047), wk = 0.0019608 k( 210) = ( 0.0000000 0.0314821 0.0234035), wk = 0.0019608 k( 211) = ( 0.0000000 0.0209881 0.0156023), wk = 0.0019608 k( 212) = ( 0.0000000 0.0104940 0.0078012), wk = 0.0019608 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 k( 215) = ( 0.0096154 0.0053363 -0.0071783), wk = 0.0019608 k( 216) = ( 0.0192308 0.0106726 -0.0143567), wk = 0.0019608 k( 217) = ( 0.0288462 0.0160089 -0.0215350), wk = 0.0019608 k( 218) = ( 0.0384615 0.0213452 -0.0287134), wk = 0.0019608 k( 219) = ( 0.0480769 0.0266816 -0.0358917), wk = 0.0019608 k( 220) = ( 0.0576923 0.0320179 -0.0430701), wk = 0.0019608 k( 221) = ( 0.0673077 0.0373542 -0.0502484), wk = 0.0019608 k( 222) = ( 0.0769231 0.0426905 -0.0574268), wk = 0.0019608 k( 223) = ( 0.0865385 0.0480268 -0.0646051), wk = 0.0019608 k( 224) = ( 0.0961538 0.0533631 -0.0717835), wk = 0.0019608 k( 225) = ( 0.1057692 0.0586994 -0.0789618), wk = 0.0019608 k( 226) = ( 0.1153846 0.0640357 -0.0861401), wk = 0.0019608 k( 227) = ( 0.1250000 0.0693721 -0.0933185), wk = 0.0019608 k( 228) = ( 0.1346154 0.0747084 -0.1004968), wk = 0.0019608 k( 229) = ( 0.1442308 0.0800447 -0.1076752), wk = 0.0019608 k( 230) = ( 0.1538461 0.0853810 -0.1148535), wk = 0.0019608 k( 231) = ( 0.1634615 0.0907173 -0.1220319), wk = 0.0019608 k( 232) = ( 0.1730769 0.0960536 -0.1292102), wk = 0.0019608 k( 233) = ( 0.1826923 0.1013899 -0.1363886), wk = 0.0019608 k( 234) = ( 0.1923077 0.1067262 -0.1435669), wk = 0.0019608 k( 235) = ( 0.2019231 0.1120626 -0.1507452), wk = 0.0019608 k( 236) = ( 0.2115385 0.1173989 -0.1579236), wk = 0.0019608 k( 237) = ( 0.2211539 0.1227352 -0.1651019), wk = 0.0019608 k( 238) = ( 0.2307692 0.1280715 -0.1722803), wk = 0.0019608 k( 239) = ( 0.2403846 0.1334078 -0.1794586), wk = 0.0019608 k( 240) = ( 0.2500000 0.1387441 -0.1866370), wk = 0.0019608 k( 241) = ( 0.2596154 0.1440804 -0.1938153), wk = 0.0019608 k( 242) = ( 0.2692308 0.1494167 -0.2009937), wk = 0.0019608 k( 243) = ( 0.2788462 0.1547531 -0.2081720), wk = 0.0019608 k( 244) = ( 0.2884615 0.1600894 -0.2153504), wk = 0.0019608 k( 245) = ( 0.2980769 0.1654257 -0.2225287), wk = 0.0019608 k( 246) = ( 0.3076923 0.1707620 -0.2297070), wk = 0.0019608 k( 247) = ( 0.3173077 0.1760983 -0.2368854), wk = 0.0019608 k( 248) = ( 0.3269231 0.1814346 -0.2440637), wk = 0.0019608 k( 249) = ( 0.3365385 0.1867709 -0.2512421), wk = 0.0019608 k( 250) = ( 0.3461538 0.1921072 -0.2584204), wk = 0.0019608 k( 251) = ( 0.3557692 0.1974435 -0.2655988), wk = 0.0019608 k( 252) = ( 0.3653846 0.2027799 -0.2727771), wk = 0.0019608 k( 253) = ( 0.3750000 0.2081162 -0.2799555), wk = 0.0019608 k( 254) = ( 0.3846154 0.2134525 -0.2871338), wk = 0.0019608 k( 255) = ( 0.3942308 0.2187888 -0.2943121), wk = 0.0019608 k( 256) = ( 0.4038462 0.2241251 -0.3014905), wk = 0.0019608 k( 257) = ( 0.4134615 0.2294614 -0.3086688), wk = 0.0019608 k( 258) = ( 0.4230769 0.2347977 -0.3158472), wk = 0.0019608 k( 259) = ( 0.4326923 0.2401340 -0.3230255), wk = 0.0019608 k( 260) = ( 0.4423077 0.2454704 -0.3302039), wk = 0.0019608 k( 261) = ( 0.4519231 0.2508067 -0.3373822), wk = 0.0019608 k( 262) = ( 0.4615385 0.2561430 -0.3445606), wk = 0.0019608 k( 263) = ( 0.4711538 0.2614793 -0.3517389), wk = 0.0019608 k( 264) = ( 0.4807692 0.2668156 -0.3589172), wk = 0.0019608 k( 265) = ( 0.4903846 0.2721519 -0.3660956), wk = 0.0019608 k( 266) = ( 0.5000000 0.2774882 -0.3732739), wk = 0.0019608 k( 267) = ( 0.5000000 0.2774882 -0.3732739), wk = 0.0019608 k( 268) = ( 0.5088296 0.2718254 -0.3656564), wk = 0.0019608 k( 269) = ( 0.5176592 0.2661626 -0.3580389), wk = 0.0019608 k( 270) = ( 0.5264887 0.2604998 -0.3504213), wk = 0.0019608 k( 271) = ( 0.5353183 0.2548370 -0.3428038), wk = 0.0019608 k( 272) = ( 0.5441479 0.2491742 -0.3351862), wk = 0.0019608 k( 273) = ( 0.5529775 0.2435114 -0.3275687), wk = 0.0019608 k( 274) = ( 0.5618071 0.2378486 -0.3199512), wk = 0.0019608 k( 275) = ( 0.5706366 0.2321858 -0.3123336), wk = 0.0019608 k( 276) = ( 0.5794662 0.2265230 -0.3047161), wk = 0.0019608 k( 277) = ( 0.5882958 0.2208602 -0.2970986), wk = 0.0019608 k( 278) = ( 0.5971254 0.2151974 -0.2894810), wk = 0.0019608 k( 279) = ( 0.6059550 0.2095346 -0.2818635), wk = 0.0019608 k( 280) = ( 0.6147845 0.2038718 -0.2742459), wk = 0.0019608 k( 281) = ( 0.6236141 0.1982090 -0.2666284), wk = 0.0019608 k( 282) = ( 0.6324437 0.1925462 -0.2590109), wk = 0.0019608 k( 283) = ( 0.6412733 0.1868834 -0.2513933), wk = 0.0019608 k( 284) = ( 0.6501029 0.1812206 -0.2437758), wk = 0.0019608 k( 285) = ( 0.6589324 0.1755578 -0.2361583), wk = 0.0019608 k( 286) = ( 0.6677620 0.1698950 -0.2285407), wk = 0.0019608 k( 287) = ( 0.6765916 0.1642321 -0.2209232), wk = 0.0019608 k( 288) = ( 0.6854212 0.1585693 -0.2133056), wk = 0.0019608 k( 289) = ( 0.6942508 0.1529065 -0.2056881), wk = 0.0019608 k( 290) = ( 0.7030803 0.1472437 -0.1980706), wk = 0.0019608 k( 291) = ( 0.7119099 0.1415809 -0.1904530), wk = 0.0019608 k( 292) = ( 0.7207395 0.1359181 -0.1828355), wk = 0.0019608 k( 293) = ( 0.7295691 0.1302553 -0.1752179), wk = 0.0019608 k( 294) = ( 0.7383987 0.1245925 -0.1676004), wk = 0.0019608 k( 295) = ( 0.7472283 0.1189297 -0.1599829), wk = 0.0019608 k( 296) = ( 0.7560578 0.1132669 -0.1523653), wk = 0.0019608 k( 297) = ( 0.7648874 0.1076041 -0.1447478), wk = 0.0019608 k( 298) = ( 0.7737170 0.1019413 -0.1371302), wk = 0.0019608 k( 299) = ( 0.7825466 0.0962785 -0.1295127), wk = 0.0019608 k( 300) = ( 0.7913761 0.0906157 -0.1218952), wk = 0.0019608 k( 301) = ( 0.7913761 0.0906157 -0.1218952), wk = 0.0019608 k( 302) = ( 0.7904485 0.0829700 -0.1116103), wk = 0.0019608 k( 303) = ( 0.7895209 0.0753243 -0.1013253), wk = 0.0019608 k( 304) = ( 0.7885933 0.0676786 -0.0910404), wk = 0.0019608 k( 305) = ( 0.7876656 0.0600329 -0.0807555), wk = 0.0019608 k( 306) = ( 0.7867380 0.0523872 -0.0704706), wk = 0.0019608 k( 307) = ( 0.7858104 0.0447415 -0.0601857), wk = 0.0019608 k( 308) = ( 0.7848827 0.0370958 -0.0499008), wk = 0.0019608 k( 309) = ( 0.7839551 0.0294501 -0.0396159), wk = 0.0019608 k( 310) = ( 0.7830275 0.0218044 -0.0293310), wk = 0.0019608 k( 311) = ( 0.7820998 0.0141587 -0.0190461), wk = 0.0019608 k( 312) = ( 0.7811722 0.0065130 -0.0087612), wk = 0.0019608 k( 313) = ( 0.7802446 -0.0011327 0.0015237), wk = 0.0019608 k( 314) = ( 0.7793169 -0.0087784 0.0118087), wk = 0.0019608 k( 315) = ( 0.7783893 -0.0164241 0.0220936), wk = 0.0019608 k( 316) = ( 0.7774617 -0.0240699 0.0323785), wk = 0.0019608 k( 317) = ( 0.7765340 -0.0317156 0.0426634), wk = 0.0019608 k( 318) = ( 0.7756064 -0.0393613 0.0529483), wk = 0.0019608 k( 319) = ( 0.7746788 -0.0470070 0.0632332), wk = 0.0019608 k( 320) = ( 0.7737512 -0.0546527 0.0735181), wk = 0.0019608 k( 321) = ( 0.7728235 -0.0622984 0.0838030), wk = 0.0019608 k( 322) = ( 0.7718959 -0.0699441 0.0940879), wk = 0.0019608 k( 323) = ( 0.7709683 -0.0775898 0.1043729), wk = 0.0019608 k( 324) = ( 0.7700406 -0.0852355 0.1146578), wk = 0.0019608 k( 325) = ( 0.7691130 -0.0928812 0.1249427), wk = 0.0019608 k( 326) = ( 0.7681854 -0.1005269 0.1352276), wk = 0.0019608 k( 327) = ( 0.7672577 -0.1081726 0.1455125), wk = 0.0019608 k( 328) = ( 0.7663301 -0.1158183 0.1557974), wk = 0.0019608 k( 329) = ( 0.7654025 -0.1234640 0.1660823), wk = 0.0019608 k( 330) = ( 0.7644749 -0.1311097 0.1763672), wk = 0.0019608 k( 331) = ( 0.7635472 -0.1387554 0.1866521), wk = 0.0019608 k( 332) = ( 0.7626196 -0.1464011 0.1969370), wk = 0.0019608 k( 333) = ( 0.7616920 -0.1540468 0.2072220), wk = 0.0019608 k( 334) = ( 0.7607643 -0.1616925 0.2175069), wk = 0.0019608 k( 335) = ( 0.7598367 -0.1693382 0.2277918), wk = 0.0019608 k( 336) = ( 0.7589091 -0.1769839 0.2380767), wk = 0.0019608 k( 337) = ( 0.7589091 -0.1769839 0.2380767), wk = 0.0019608 k( 338) = ( 0.7519115 -0.1738401 0.2485247), wk = 0.0019608 k( 339) = ( 0.7449140 -0.1706963 0.2589727), wk = 0.0019608 k( 340) = ( 0.7379164 -0.1675525 0.2694207), wk = 0.0019608 k( 341) = ( 0.7309189 -0.1644087 0.2798687), wk = 0.0019608 k( 342) = ( 0.7239214 -0.1612649 0.2903167), wk = 0.0019608 k( 343) = ( 0.7169238 -0.1581211 0.3007647), wk = 0.0019608 k( 344) = ( 0.7099263 -0.1549773 0.3112127), wk = 0.0019608 k( 345) = ( 0.7029287 -0.1518336 0.3216607), wk = 0.0019608 k( 346) = ( 0.6959312 -0.1486898 0.3321087), wk = 0.0019608 k( 347) = ( 0.6889336 -0.1455460 0.3425567), wk = 0.0019608 k( 348) = ( 0.6819361 -0.1424022 0.3530047), wk = 0.0019608 k( 349) = ( 0.6749386 -0.1392584 0.3634527), wk = 0.0019608 k( 350) = ( 0.6679410 -0.1361146 0.3739007), wk = 0.0019608 k( 351) = ( 0.6609435 -0.1329708 0.3843487), wk = 0.0019608 k( 352) = ( 0.6539459 -0.1298270 0.3947967), wk = 0.0019608 k( 353) = ( 0.6469484 -0.1266832 0.4052447), wk = 0.0019608 k( 354) = ( 0.6399508 -0.1235394 0.4156927), wk = 0.0019608 k( 355) = ( 0.6329533 -0.1203956 0.4261407), wk = 0.0019608 k( 356) = ( 0.6259558 -0.1172518 0.4365887), wk = 0.0019608 k( 357) = ( 0.6189582 -0.1141080 0.4470367), wk = 0.0019608 k( 358) = ( 0.6119607 -0.1109642 0.4574847), wk = 0.0019608 k( 359) = ( 0.6049631 -0.1078205 0.4679327), wk = 0.0019608 k( 360) = ( 0.5979656 -0.1046767 0.4783807), wk = 0.0019608 k( 361) = ( 0.5909680 -0.1015329 0.4888287), wk = 0.0019608 k( 362) = ( 0.5839705 -0.0983891 0.4992767), wk = 0.0019608 k( 363) = ( 0.5769730 -0.0952453 0.5097247), wk = 0.0019608 k( 364) = ( 0.5699754 -0.0921015 0.5201727), wk = 0.0019608 k( 365) = ( 0.5629779 -0.0889577 0.5306207), wk = 0.0019608 k( 366) = ( 0.5559803 -0.0858139 0.5410687), wk = 0.0019608 k( 367) = ( 0.5489828 -0.0826701 0.5515167), wk = 0.0019608 k( 368) = ( 0.5419852 -0.0795263 0.5619647), wk = 0.0019608 k( 369) = ( 0.5349877 -0.0763825 0.5724127), wk = 0.0019608 k( 370) = ( 0.5279902 -0.0732387 0.5828607), wk = 0.0019608 k( 371) = ( 0.5209926 -0.0700949 0.5933087), wk = 0.0019608 k( 372) = ( 0.5139951 -0.0669511 0.6037567), wk = 0.0019608 k( 373) = ( 0.5069975 -0.0638073 0.6142047), wk = 0.0019608 k( 374) = ( 0.5000000 -0.0606636 0.6246527), wk = 0.0019608 k( 375) = ( 0.5000000 0.6156400 -0.1218952), wk = 0.0019608 k( 376) = ( 0.5000000 0.6050728 -0.1297508), wk = 0.0019608 k( 377) = ( 0.5000000 0.5945055 -0.1376063), wk = 0.0019608 k( 378) = ( 0.5000000 0.5839383 -0.1454619), wk = 0.0019608 k( 379) = ( 0.5000000 0.5733710 -0.1533175), wk = 0.0019608 k( 380) = ( 0.5000000 0.5628038 -0.1611731), wk = 0.0019608 k( 381) = ( 0.5000000 0.5522366 -0.1690287), wk = 0.0019608 k( 382) = ( 0.5000000 0.5416693 -0.1768843), wk = 0.0019608 k( 383) = ( 0.5000000 0.5311021 -0.1847399), wk = 0.0019608 k( 384) = ( 0.5000000 0.5205348 -0.1925955), wk = 0.0019608 k( 385) = ( 0.5000000 0.5099676 -0.2004510), wk = 0.0019608 k( 386) = ( 0.5000000 0.4994003 -0.2083066), wk = 0.0019608 k( 387) = ( 0.5000000 0.4888331 -0.2161622), wk = 0.0019608 k( 388) = ( 0.5000000 0.4782659 -0.2240178), wk = 0.0019608 k( 389) = ( 0.5000000 0.4676986 -0.2318734), wk = 0.0019608 k( 390) = ( 0.5000000 0.4571314 -0.2397290), wk = 0.0019608 k( 391) = ( 0.5000000 0.4465641 -0.2475846), wk = 0.0019608 k( 392) = ( 0.5000000 0.4359969 -0.2554401), wk = 0.0019608 k( 393) = ( 0.5000000 0.4254296 -0.2632957), wk = 0.0019608 k( 394) = ( 0.5000000 0.4148624 -0.2711513), wk = 0.0019608 k( 395) = ( 0.5000000 0.4042952 -0.2790069), wk = 0.0019608 k( 396) = ( 0.5000000 0.3937279 -0.2868625), wk = 0.0019608 k( 397) = ( 0.5000000 0.3831607 -0.2947181), wk = 0.0019608 k( 398) = ( 0.5000000 0.3725934 -0.3025737), wk = 0.0019608 k( 399) = ( 0.5000000 0.3620262 -0.3104292), wk = 0.0019608 k( 400) = ( 0.5000000 0.3514589 -0.3182848), wk = 0.0019608 k( 401) = ( 0.5000000 0.3408917 -0.3261404), wk = 0.0019608 k( 402) = ( 0.5000000 0.3303244 -0.3339960), wk = 0.0019608 k( 403) = ( 0.5000000 0.3197572 -0.3418516), wk = 0.0019608 k( 404) = ( 0.5000000 0.3091900 -0.3497072), wk = 0.0019608 k( 405) = ( 0.5000000 0.2986227 -0.3575628), wk = 0.0019608 k( 406) = ( 0.5000000 0.2880555 -0.3654183), wk = 0.0019608 k( 407) = ( 0.5000000 0.2774882 -0.3732739), wk = 0.0019608 k( 408) = ( 0.0000000 0.5981606 0.4446668), wk = 0.0019608 k( 409) = ( 0.0096436 0.6035126 0.4374673), wk = 0.0019608 k( 410) = ( 0.0192873 0.6088646 0.4302679), wk = 0.0019608 k( 411) = ( 0.0289309 0.6142165 0.4230685), wk = 0.0019608 k( 412) = ( 0.0385745 0.6195685 0.4158690), wk = 0.0019608 k( 413) = ( 0.0482182 0.6249205 0.4086696), wk = 0.0019608 k( 414) = ( 0.0578618 0.6302725 0.4014701), wk = 0.0019608 k( 415) = ( 0.0675055 0.6356245 0.3942707), wk = 0.0019608 k( 416) = ( 0.0771491 0.6409765 0.3870713), wk = 0.0019608 k( 417) = ( 0.0867927 0.6463285 0.3798718), wk = 0.0019608 k( 418) = ( 0.0964364 0.6516805 0.3726724), wk = 0.0019608 k( 419) = ( 0.1060800 0.6570325 0.3654730), wk = 0.0019608 k( 420) = ( 0.1157236 0.6623845 0.3582735), wk = 0.0019608 k( 421) = ( 0.1253673 0.6677365 0.3510741), wk = 0.0019608 k( 422) = ( 0.1350109 0.6730885 0.3438747), wk = 0.0019608 k( 423) = ( 0.1446546 0.6784404 0.3366752), wk = 0.0019608 k( 424) = ( 0.1542982 0.6837924 0.3294758), wk = 0.0019608 k( 425) = ( 0.1639418 0.6891444 0.3222763), wk = 0.0019608 k( 426) = ( 0.1735855 0.6944964 0.3150769), wk = 0.0019608 k( 427) = ( 0.1832291 0.6998484 0.3078775), wk = 0.0019608 k( 428) = ( 0.1928728 0.7052004 0.3006780), wk = 0.0019608 k( 429) = ( 0.2025164 0.7105524 0.2934786), wk = 0.0019608 k( 430) = ( 0.2121600 0.7159044 0.2862792), wk = 0.0019608 k( 431) = ( 0.2218037 0.7212564 0.2790797), wk = 0.0019608 k( 432) = ( 0.2314473 0.7266084 0.2718803), wk = 0.0019608 k( 433) = ( 0.2410909 0.7319604 0.2646808), wk = 0.0019608 k( 434) = ( 0.7589091 -0.1769839 0.2380767), wk = 0.0019608 k( 435) = ( 0.7493198 -0.1823057 0.2452355), wk = 0.0019608 k( 436) = ( 0.7397306 -0.1876275 0.2523943), wk = 0.0019608 k( 437) = ( 0.7301414 -0.1929493 0.2595531), wk = 0.0019608 k( 438) = ( 0.7205522 -0.1982711 0.2667119), wk = 0.0019608 k( 439) = ( 0.7109629 -0.2035929 0.2738708), wk = 0.0019608 k( 440) = ( 0.7013737 -0.2089147 0.2810296), wk = 0.0019608 k( 441) = ( 0.6917845 -0.2142365 0.2881884), wk = 0.0019608 k( 442) = ( 0.6821953 -0.2195583 0.2953472), wk = 0.0019608 k( 443) = ( 0.6726060 -0.2248800 0.3025060), wk = 0.0019608 k( 444) = ( 0.6630168 -0.2302018 0.3096648), wk = 0.0019608 k( 445) = ( 0.6534276 -0.2355236 0.3168237), wk = 0.0019608 k( 446) = ( 0.6438384 -0.2408454 0.3239825), wk = 0.0019608 k( 447) = ( 0.6342491 -0.2461672 0.3311413), wk = 0.0019608 k( 448) = ( 0.6246599 -0.2514890 0.3383001), wk = 0.0019608 k( 449) = ( 0.6150707 -0.2568108 0.3454589), wk = 0.0019608 k( 450) = ( 0.6054815 -0.2621326 0.3526177), wk = 0.0019608 k( 451) = ( 0.5958922 -0.2674544 0.3597765), wk = 0.0019608 k( 452) = ( 0.5863030 -0.2727762 0.3669354), wk = 0.0019608 k( 453) = ( 0.5767138 -0.2780980 0.3740942), wk = 0.0019608 k( 454) = ( 0.5671246 -0.2834198 0.3812530), wk = 0.0019608 k( 455) = ( 0.5575353 -0.2887416 0.3884118), wk = 0.0019608 k( 456) = ( 0.5479461 -0.2940634 0.3955706), wk = 0.0019608 k( 457) = ( 0.5383569 -0.2993852 0.4027294), wk = 0.0019608 k( 458) = ( 0.5287677 -0.3047070 0.4098883), wk = 0.0019608 k( 459) = ( 0.5191784 -0.3100287 0.4170471), wk = 0.0019608 k( 460) = ( 0.5095892 -0.3153505 0.4242059), wk = 0.0019608 k( 461) = ( 0.5000000 -0.3206723 0.4313647), wk = 0.0019608 k( 462) = ( 0.5000000 0.2774882 0.2513788), wk = 0.0019608 k( 463) = ( 0.4895833 0.2717072 0.2461417), wk = 0.0019608 k( 464) = ( 0.4791667 0.2659262 0.2409047), wk = 0.0019608 k( 465) = ( 0.4687500 0.2601452 0.2356676), wk = 0.0019608 k( 466) = ( 0.4583333 0.2543642 0.2304305), wk = 0.0019608 k( 467) = ( 0.4479167 0.2485832 0.2251935), wk = 0.0019608 k( 468) = ( 0.4375000 0.2428022 0.2199564), wk = 0.0019608 k( 469) = ( 0.4270833 0.2370212 0.2147194), wk = 0.0019608 k( 470) = ( 0.4166667 0.2312402 0.2094823), wk = 0.0019608 k( 471) = ( 0.4062500 0.2254592 0.2042452), wk = 0.0019608 k( 472) = ( 0.3958333 0.2196782 0.1990082), wk = 0.0019608 k( 473) = ( 0.3854167 0.2138972 0.1937711), wk = 0.0019608 k( 474) = ( 0.3750000 0.2081162 0.1885341), wk = 0.0019608 k( 475) = ( 0.3645833 0.2023352 0.1832970), wk = 0.0019608 k( 476) = ( 0.3541667 0.1965542 0.1780600), wk = 0.0019608 k( 477) = ( 0.3437500 0.1907732 0.1728229), wk = 0.0019608 k( 478) = ( 0.3333333 0.1849922 0.1675858), wk = 0.0019608 k( 479) = ( 0.3229167 0.1792112 0.1623488), wk = 0.0019608 k( 480) = ( 0.3125000 0.1734301 0.1571117), wk = 0.0019608 k( 481) = ( 0.3020833 0.1676491 0.1518747), wk = 0.0019608 k( 482) = ( 0.2916667 0.1618681 0.1466376), wk = 0.0019608 k( 483) = ( 0.2812500 0.1560871 0.1414006), wk = 0.0019608 k( 484) = ( 0.2708333 0.1503061 0.1361635), wk = 0.0019608 k( 485) = ( 0.2604167 0.1445251 0.1309264), wk = 0.0019608 k( 486) = ( 0.2500000 0.1387441 0.1256894), wk = 0.0019608 k( 487) = ( 0.2395833 0.1329631 0.1204523), wk = 0.0019608 k( 488) = ( 0.2291667 0.1271821 0.1152153), wk = 0.0019608 k( 489) = ( 0.2187500 0.1214011 0.1099782), wk = 0.0019608 k( 490) = ( 0.2083333 0.1156201 0.1047412), wk = 0.0019608 k( 491) = ( 0.1979167 0.1098391 0.0995041), wk = 0.0019608 k( 492) = ( 0.1875000 0.1040581 0.0942670), wk = 0.0019608 k( 493) = ( 0.1770833 0.0982771 0.0890300), wk = 0.0019608 k( 494) = ( 0.1666667 0.0924961 0.0837929), wk = 0.0019608 k( 495) = ( 0.1562500 0.0867151 0.0785559), wk = 0.0019608 k( 496) = ( 0.1458333 0.0809341 0.0733188), wk = 0.0019608 k( 497) = ( 0.1354167 0.0751531 0.0680818), wk = 0.0019608 k( 498) = ( 0.1250000 0.0693721 0.0628447), wk = 0.0019608 k( 499) = ( 0.1145833 0.0635911 0.0576076), wk = 0.0019608 k( 500) = ( 0.1041667 0.0578101 0.0523706), wk = 0.0019608 k( 501) = ( 0.0937500 0.0520290 0.0471335), wk = 0.0019608 k( 502) = ( 0.0833333 0.0462480 0.0418965), wk = 0.0019608 k( 503) = ( 0.0729167 0.0404670 0.0366594), wk = 0.0019608 k( 504) = ( 0.0625000 0.0346860 0.0314223), wk = 0.0019608 k( 505) = ( 0.0520833 0.0289050 0.0261853), wk = 0.0019608 k( 506) = ( 0.0416667 0.0231240 0.0209482), wk = 0.0019608 k( 507) = ( 0.0312500 0.0173430 0.0157112), wk = 0.0019608 k( 508) = ( 0.0208333 0.0115620 0.0104741), wk = 0.0019608 k( 509) = ( 0.0104167 0.0057810 0.0052371), wk = 0.0019608 k( 510) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 k( 2) = ( 0.0089286 0.0000000 0.0089286), wk = 0.0019608 k( 3) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0019608 k( 4) = ( 0.0267857 -0.0000000 0.0267857), wk = 0.0019608 k( 5) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0019608 k( 6) = ( 0.0446429 0.0000000 0.0446429), wk = 0.0019608 k( 7) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0019608 k( 8) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0019608 k( 9) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0019608 k( 10) = ( 0.0803571 0.0000000 0.0803571), wk = 0.0019608 k( 11) = ( 0.0892857 -0.0000000 0.0892857), wk = 0.0019608 k( 12) = ( 0.0982143 -0.0000000 0.0982143), wk = 0.0019608 k( 13) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0019608 k( 14) = ( 0.1160714 -0.0000000 0.1160714), wk = 0.0019608 k( 15) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0019608 k( 16) = ( 0.1339286 -0.0000000 0.1339286), wk = 0.0019608 k( 17) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0019608 k( 18) = ( 0.1517857 0.0000000 0.1517857), wk = 0.0019608 k( 19) = ( 0.1607143 0.0000000 0.1607143), wk = 0.0019608 k( 20) = ( 0.1696429 -0.0000000 0.1696429), wk = 0.0019608 k( 21) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0019608 k( 22) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0019608 k( 23) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0019608 k( 24) = ( 0.2053571 -0.0000000 0.2053571), wk = 0.0019608 k( 25) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0019608 k( 26) = ( 0.2232143 -0.0000000 0.2232143), wk = 0.0019608 k( 27) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0019608 k( 28) = ( 0.2410714 -0.0000000 0.2410714), wk = 0.0019608 k( 29) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0019608 k( 30) = ( 0.2589286 -0.0000000 0.2589286), wk = 0.0019608 k( 31) = ( 0.2678571 -0.0000000 0.2678571), wk = 0.0019608 k( 32) = ( 0.2767857 -0.0000000 0.2767857), wk = 0.0019608 k( 33) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0019608 k( 34) = ( 0.2946429 0.0000000 0.2946429), wk = 0.0019608 k( 35) = ( 0.3035714 -0.0000000 0.3035714), wk = 0.0019608 k( 36) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0019608 k( 37) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0019608 k( 38) = ( 0.3303571 -0.0000000 0.3303571), wk = 0.0019608 k( 39) = ( 0.3392857 -0.0000000 0.3392857), wk = 0.0019608 k( 40) = ( 0.3482143 0.0000000 0.3482143), wk = 0.0019608 k( 41) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0019608 k( 42) = ( 0.3660714 -0.0000000 0.3660714), wk = 0.0019608 k( 43) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0019608 k( 44) = ( 0.3839286 -0.0000000 0.3839286), wk = 0.0019608 k( 45) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0019608 k( 46) = ( 0.4017857 -0.0000000 0.4017857), wk = 0.0019608 k( 47) = ( 0.4107143 -0.0000000 0.4107143), wk = 0.0019608 k( 48) = ( 0.4196429 -0.0000000 0.4196429), wk = 0.0019608 k( 49) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0019608 k( 50) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0019608 k( 51) = ( 0.4464286 -0.0000000 0.4464286), wk = 0.0019608 k( 52) = ( 0.4553571 -0.0000000 0.4553571), wk = 0.0019608 k( 53) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0019608 k( 54) = ( 0.4732143 0.0000000 0.4732143), wk = 0.0019608 k( 55) = ( 0.4821429 -0.0000000 0.4821429), wk = 0.0019608 k( 56) = ( 0.4910714 -0.0000000 0.4910714), wk = 0.0019608 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019608 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019608 k( 59) = ( 0.5000000 0.0086936 0.5086936), wk = 0.0019608 k( 60) = ( 0.5000000 0.0173872 0.5173872), wk = 0.0019608 k( 61) = ( 0.5000000 0.0260808 0.5260808), wk = 0.0019608 k( 62) = ( 0.5000000 0.0347744 0.5347745), wk = 0.0019608 k( 63) = ( 0.5000000 0.0434681 0.5434681), wk = 0.0019608 k( 64) = ( 0.5000000 0.0521617 0.5521617), wk = 0.0019608 k( 65) = ( 0.5000000 0.0608553 0.5608553), wk = 0.0019608 k( 66) = ( 0.5000000 0.0695489 0.5695489), wk = 0.0019608 k( 67) = ( 0.5000000 0.0782425 0.5782425), wk = 0.0019608 k( 68) = ( 0.5000000 0.0869361 0.5869361), wk = 0.0019608 k( 69) = ( 0.5000000 0.0956297 0.5956297), wk = 0.0019608 k( 70) = ( 0.5000000 0.1043233 0.6043233), wk = 0.0019608 k( 71) = ( 0.5000000 0.1130169 0.6130170), wk = 0.0019608 k( 72) = ( 0.5000000 0.1217106 0.6217106), wk = 0.0019608 k( 73) = ( 0.5000000 0.1304042 0.6304042), wk = 0.0019608 k( 74) = ( 0.5000000 0.1390978 0.6390978), wk = 0.0019608 k( 75) = ( 0.5000000 0.1477914 0.6477914), wk = 0.0019608 k( 76) = ( 0.5000000 0.1564850 0.6564850), wk = 0.0019608 k( 77) = ( 0.5000000 0.1651786 0.6651786), wk = 0.0019608 k( 78) = ( 0.5000000 0.1738722 0.6738722), wk = 0.0019608 k( 79) = ( 0.5000000 0.1825658 0.6825658), wk = 0.0019608 k( 80) = ( 0.5000000 0.1912594 0.6912594), wk = 0.0019608 k( 81) = ( 0.5000000 0.1999531 0.6999531), wk = 0.0019608 k( 82) = ( 0.5000000 0.2086467 0.7086467), wk = 0.0019608 k( 83) = ( 0.5000000 0.2173403 0.7173403), wk = 0.0019608 k( 84) = ( 0.5000000 0.2173403 0.7173403), wk = 0.0019608 k( 85) = ( 0.4936657 0.2234851 0.7171508), wk = 0.0019608 k( 86) = ( 0.4873315 0.2296298 0.7169613), wk = 0.0019608 k( 87) = ( 0.4809972 0.2357746 0.7167718), wk = 0.0019608 k( 88) = ( 0.4746629 0.2419194 0.7165823), wk = 0.0019608 k( 89) = ( 0.4683287 0.2480642 0.7163928), wk = 0.0019608 k( 90) = ( 0.4619944 0.2542089 0.7162034), wk = 0.0019608 k( 91) = ( 0.4556601 0.2603537 0.7160139), wk = 0.0019608 k( 92) = ( 0.4493259 0.2664985 0.7158244), wk = 0.0019608 k( 93) = ( 0.4429916 0.2726433 0.7156349), wk = 0.0019608 k( 94) = ( 0.4366574 0.2787881 0.7154454), wk = 0.0019608 k( 95) = ( 0.4303231 0.2849328 0.7152559), wk = 0.0019608 k( 96) = ( 0.4239888 0.2910776 0.7150664), wk = 0.0019608 k( 97) = ( 0.4176546 0.2972224 0.7148769), wk = 0.0019608 k( 98) = ( 0.4113203 0.3033672 0.7146875), wk = 0.0019608 k( 99) = ( 0.4049860 0.3095119 0.7144980), wk = 0.0019608 k( 100) = ( 0.3986518 0.3156567 0.7143085), wk = 0.0019608 k( 101) = ( 0.3923175 0.3218015 0.7141190), wk = 0.0019608 k( 102) = ( 0.3859832 0.3279463 0.7139295), wk = 0.0019608 k( 103) = ( 0.3796490 0.3340910 0.7137400), wk = 0.0019608 k( 104) = ( 0.3733147 0.3402358 0.7135505), wk = 0.0019608 k( 105) = ( 0.3669805 0.3463806 0.7133611), wk = 0.0019608 k( 106) = ( 0.3606462 0.3525254 0.7131716), wk = 0.0019608 k( 107) = ( 0.3543119 0.3586701 0.7129821), wk = 0.0019608 k( 108) = ( 0.3479777 0.3648149 0.7127926), wk = 0.0019608 k( 109) = ( 0.3416434 0.3709597 0.7126031), wk = 0.0019608 k( 110) = ( 0.3353091 0.3771045 0.7124136), wk = 0.0019608 k( 111) = ( 0.3289749 0.3832492 0.7122241), wk = 0.0019608 k( 112) = ( 0.3226406 0.3893940 0.7120346), wk = 0.0019608 k( 113) = ( 0.3163063 0.3955388 0.7118451), wk = 0.0019608 k( 114) = ( 0.3099721 0.4016836 0.7116557), wk = 0.0019608 k( 115) = ( 0.3036378 0.4078283 0.7114662), wk = 0.0019608 k( 116) = ( 0.2973036 0.4139731 0.7112767), wk = 0.0019608 k( 117) = ( 0.2909693 0.4201179 0.7110872), wk = 0.0019608 k( 118) = ( 0.2846350 0.4262627 0.7108977), wk = 0.0019608 k( 119) = ( 0.2783008 0.4324075 0.7107082), wk = 0.0019608 k( 120) = ( 0.2719665 0.4385522 0.7105187), wk = 0.0019608 k( 121) = ( 0.2656322 0.4446970 0.7103292), wk = 0.0019608 k( 122) = ( 0.2592980 0.4508418 0.7101398), wk = 0.0019608 k( 123) = ( 0.2529637 0.4569866 0.7099503), wk = 0.0019608 k( 124) = ( 0.2466294 0.4631313 0.7097608), wk = 0.0019608 k( 125) = ( 0.2402952 0.4692761 0.7095713), wk = 0.0019608 k( 126) = ( 0.2339609 0.4754209 0.7093818), wk = 0.0019608 k( 127) = ( 0.2276267 0.4815657 0.7091923), wk = 0.0019608 k( 128) = ( 0.2212924 0.4877104 0.7090028), wk = 0.0019608 k( 129) = ( 0.2149581 0.4938552 0.7088133), wk = 0.0019608 k( 130) = ( 0.2086238 0.5000000 0.7086239), wk = 0.0019608 k( 131) = ( 0.2086238 0.5000000 0.7086239), wk = 0.0019608 k( 132) = ( 0.1999312 0.5000000 0.6999312), wk = 0.0019608 k( 133) = ( 0.1912385 0.5000000 0.6912385), wk = 0.0019608 k( 134) = ( 0.1825459 0.5000000 0.6825459), wk = 0.0019608 k( 135) = ( 0.1738532 0.5000000 0.6738532), wk = 0.0019608 k( 136) = ( 0.1651605 0.5000000 0.6651605), wk = 0.0019608 k( 137) = ( 0.1564679 0.5000000 0.6564679), wk = 0.0019608 k( 138) = ( 0.1477752 0.5000000 0.6477752), wk = 0.0019608 k( 139) = ( 0.1390826 0.5000000 0.6390826), wk = 0.0019608 k( 140) = ( 0.1303899 0.5000000 0.6303899), wk = 0.0019608 k( 141) = ( 0.1216973 0.5000000 0.6216972), wk = 0.0019608 k( 142) = ( 0.1130046 0.5000000 0.6130046), wk = 0.0019608 k( 143) = ( 0.1043119 0.5000000 0.6043119), wk = 0.0019608 k( 144) = ( 0.0956193 0.5000000 0.5956193), wk = 0.0019608 k( 145) = ( 0.0869266 0.5000000 0.5869266), wk = 0.0019608 k( 146) = ( 0.0782339 0.5000000 0.5782339), wk = 0.0019608 k( 147) = ( 0.0695413 0.5000000 0.5695413), wk = 0.0019608 k( 148) = ( 0.0608486 0.5000000 0.5608486), wk = 0.0019608 k( 149) = ( 0.0521560 0.5000000 0.5521560), wk = 0.0019608 k( 150) = ( 0.0434633 0.5000000 0.5434633), wk = 0.0019608 k( 151) = ( 0.0347706 0.5000000 0.5347706), wk = 0.0019608 k( 152) = ( 0.0260780 0.5000000 0.5260780), wk = 0.0019608 k( 153) = ( 0.0173853 0.5000000 0.5173853), wk = 0.0019608 k( 154) = ( 0.0086927 0.5000000 0.5086927), wk = 0.0019608 k( 155) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019608 k( 156) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019608 k( 157) = ( 0.0000000 0.4912281 0.4912281), wk = 0.0019608 k( 158) = ( 0.0000000 0.4824561 0.4824561), wk = 0.0019608 k( 159) = ( 0.0000000 0.4736842 0.4736842), wk = 0.0019608 k( 160) = ( 0.0000000 0.4649123 0.4649123), wk = 0.0019608 k( 161) = ( 0.0000000 0.4561404 0.4561403), wk = 0.0019608 k( 162) = ( 0.0000000 0.4473684 0.4473684), wk = 0.0019608 k( 163) = ( 0.0000000 0.4385965 0.4385965), wk = 0.0019608 k( 164) = ( 0.0000000 0.4298246 0.4298246), wk = 0.0019608 k( 165) = ( 0.0000000 0.4210526 0.4210526), wk = 0.0019608 k( 166) = ( 0.0000000 0.4122807 0.4122807), wk = 0.0019608 k( 167) = ( 0.0000000 0.4035088 0.4035088), wk = 0.0019608 k( 168) = ( 0.0000000 0.3947368 0.3947368), wk = 0.0019608 k( 169) = ( 0.0000000 0.3859649 0.3859649), wk = 0.0019608 k( 170) = ( 0.0000000 0.3771930 0.3771930), wk = 0.0019608 k( 171) = ( 0.0000000 0.3684210 0.3684211), wk = 0.0019608 k( 172) = ( 0.0000000 0.3596491 0.3596491), wk = 0.0019608 k( 173) = ( 0.0000000 0.3508772 0.3508772), wk = 0.0019608 k( 174) = ( 0.0000000 0.3421053 0.3421053), wk = 0.0019608 k( 175) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0019608 k( 176) = ( 0.0000000 0.3245614 0.3245614), wk = 0.0019608 k( 177) = ( 0.0000000 0.3157895 0.3157895), wk = 0.0019608 k( 178) = ( 0.0000000 0.3070175 0.3070175), wk = 0.0019608 k( 179) = ( 0.0000000 0.2982456 0.2982456), wk = 0.0019608 k( 180) = ( 0.0000000 0.2894737 0.2894737), wk = 0.0019608 k( 181) = ( 0.0000000 0.2807017 0.2807018), wk = 0.0019608 k( 182) = ( 0.0000000 0.2719298 0.2719298), wk = 0.0019608 k( 183) = ( 0.0000000 0.2631579 0.2631579), wk = 0.0019608 k( 184) = ( 0.0000000 0.2543860 0.2543860), wk = 0.0019608 k( 185) = ( 0.0000000 0.2456140 0.2456140), wk = 0.0019608 k( 186) = ( 0.0000000 0.2368421 0.2368421), wk = 0.0019608 k( 187) = ( 0.0000000 0.2280702 0.2280702), wk = 0.0019608 k( 188) = ( 0.0000000 0.2192982 0.2192982), wk = 0.0019608 k( 189) = ( 0.0000000 0.2105263 0.2105263), wk = 0.0019608 k( 190) = ( 0.0000000 0.2017544 0.2017544), wk = 0.0019608 k( 191) = ( 0.0000000 0.1929825 0.1929825), wk = 0.0019608 k( 192) = ( 0.0000000 0.1842105 0.1842105), wk = 0.0019608 k( 193) = ( 0.0000000 0.1754386 0.1754386), wk = 0.0019608 k( 194) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0019608 k( 195) = ( 0.0000000 0.1578947 0.1578947), wk = 0.0019608 k( 196) = ( 0.0000000 0.1491228 0.1491228), wk = 0.0019608 k( 197) = ( 0.0000000 0.1403509 0.1403509), wk = 0.0019608 k( 198) = ( 0.0000000 0.1315790 0.1315790), wk = 0.0019608 k( 199) = ( 0.0000000 0.1228070 0.1228070), wk = 0.0019608 k( 200) = ( 0.0000000 0.1140351 0.1140351), wk = 0.0019608 k( 201) = ( 0.0000000 0.1052632 0.1052632), wk = 0.0019608 k( 202) = ( 0.0000000 0.0964912 0.0964912), wk = 0.0019608 k( 203) = ( 0.0000000 0.0877193 0.0877193), wk = 0.0019608 k( 204) = ( 0.0000000 0.0789474 0.0789474), wk = 0.0019608 k( 205) = ( 0.0000000 0.0701754 0.0701754), wk = 0.0019608 k( 206) = ( 0.0000000 0.0614035 0.0614035), wk = 0.0019608 k( 207) = ( 0.0000000 0.0526316 0.0526316), wk = 0.0019608 k( 208) = ( 0.0000000 0.0438597 0.0438596), wk = 0.0019608 k( 209) = ( 0.0000000 0.0350877 0.0350877), wk = 0.0019608 k( 210) = ( 0.0000000 0.0263158 0.0263158), wk = 0.0019608 k( 211) = ( 0.0000000 0.0175439 0.0175439), wk = 0.0019608 k( 212) = ( 0.0000000 0.0087719 0.0087719), wk = 0.0019608 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 k( 215) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0019608 k( 216) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0019608 k( 217) = ( 0.0288462 0.0288462 0.0000000), wk = 0.0019608 k( 218) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0019608 k( 219) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0019608 k( 220) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0019608 k( 221) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0019608 k( 222) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0019608 k( 223) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0019608 k( 224) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0019608 k( 225) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0019608 k( 226) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0019608 k( 227) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0019608 k( 228) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0019608 k( 229) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0019608 k( 230) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0019608 k( 231) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0019608 k( 232) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0019608 k( 233) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0019608 k( 234) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0019608 k( 235) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0019608 k( 236) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0019608 k( 237) = ( 0.2211539 0.2211538 0.0000000), wk = 0.0019608 k( 238) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0019608 k( 239) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0019608 k( 240) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0019608 k( 241) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0019608 k( 242) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0019608 k( 243) = ( 0.2788462 0.2788462 0.0000000), wk = 0.0019608 k( 244) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0019608 k( 245) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0019608 k( 246) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0019608 k( 247) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0019608 k( 248) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0019608 k( 249) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0019608 k( 250) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0019608 k( 251) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0019608 k( 252) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0019608 k( 253) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0019608 k( 254) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0019608 k( 255) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0019608 k( 256) = ( 0.4038462 0.4038462 -0.0000000), wk = 0.0019608 k( 257) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0019608 k( 258) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0019608 k( 259) = ( 0.4326923 0.4326923 -0.0000000), wk = 0.0019608 k( 260) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0019608 k( 261) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0019608 k( 262) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0019608 k( 263) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0019608 k( 264) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0019608 k( 265) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0019608 k( 266) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0019608 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0019608 k( 268) = ( 0.5088296 0.5000000 0.0088296), wk = 0.0019608 k( 269) = ( 0.5176592 0.5000000 0.0176592), wk = 0.0019608 k( 270) = ( 0.5264887 0.5000000 0.0264887), wk = 0.0019608 k( 271) = ( 0.5353183 0.5000000 0.0353183), wk = 0.0019608 k( 272) = ( 0.5441479 0.5000000 0.0441479), wk = 0.0019608 k( 273) = ( 0.5529775 0.5000000 0.0529775), wk = 0.0019608 k( 274) = ( 0.5618071 0.5000000 0.0618071), wk = 0.0019608 k( 275) = ( 0.5706366 0.5000000 0.0706366), wk = 0.0019608 k( 276) = ( 0.5794662 0.5000000 0.0794662), wk = 0.0019608 k( 277) = ( 0.5882958 0.5000000 0.0882958), wk = 0.0019608 k( 278) = ( 0.5971254 0.5000000 0.0971254), wk = 0.0019608 k( 279) = ( 0.6059550 0.5000000 0.1059550), wk = 0.0019608 k( 280) = ( 0.6147845 0.5000000 0.1147845), wk = 0.0019608 k( 281) = ( 0.6236141 0.5000000 0.1236141), wk = 0.0019608 k( 282) = ( 0.6324437 0.5000000 0.1324437), wk = 0.0019608 k( 283) = ( 0.6412733 0.5000000 0.1412733), wk = 0.0019608 k( 284) = ( 0.6501029 0.5000000 0.1501029), wk = 0.0019608 k( 285) = ( 0.6589324 0.5000000 0.1589324), wk = 0.0019608 k( 286) = ( 0.6677620 0.5000000 0.1677620), wk = 0.0019608 k( 287) = ( 0.6765916 0.5000000 0.1765916), wk = 0.0019608 k( 288) = ( 0.6854212 0.5000000 0.1854212), wk = 0.0019608 k( 289) = ( 0.6942508 0.5000000 0.1942508), wk = 0.0019608 k( 290) = ( 0.7030803 0.5000000 0.2030803), wk = 0.0019608 k( 291) = ( 0.7119099 0.5000000 0.2119099), wk = 0.0019608 k( 292) = ( 0.7207395 0.5000000 0.2207395), wk = 0.0019608 k( 293) = ( 0.7295691 0.5000000 0.2295691), wk = 0.0019608 k( 294) = ( 0.7383987 0.5000000 0.2383987), wk = 0.0019608 k( 295) = ( 0.7472283 0.5000000 0.2472282), wk = 0.0019608 k( 296) = ( 0.7560578 0.5000000 0.2560578), wk = 0.0019608 k( 297) = ( 0.7648874 0.5000000 0.2648874), wk = 0.0019608 k( 298) = ( 0.7737170 0.5000000 0.2737170), wk = 0.0019608 k( 299) = ( 0.7825466 0.5000000 0.2825466), wk = 0.0019608 k( 300) = ( 0.7913761 0.5000000 0.2913761), wk = 0.0019608 k( 301) = ( 0.7913761 0.5000000 0.2913761), wk = 0.0019608 k( 302) = ( 0.7904485 0.4931117 0.2973368), wk = 0.0019608 k( 303) = ( 0.7895209 0.4862234 0.3032975), wk = 0.0019608 k( 304) = ( 0.7885933 0.4793351 0.3092582), wk = 0.0019608 k( 305) = ( 0.7876656 0.4724467 0.3152189), wk = 0.0019608 k( 306) = ( 0.7867380 0.4655584 0.3211795), wk = 0.0019608 k( 307) = ( 0.7858104 0.4586701 0.3271402), wk = 0.0019608 k( 308) = ( 0.7848827 0.4517818 0.3331009), wk = 0.0019608 k( 309) = ( 0.7839551 0.4448935 0.3390616), wk = 0.0019608 k( 310) = ( 0.7830275 0.4380052 0.3450223), wk = 0.0019608 k( 311) = ( 0.7820998 0.4311169 0.3509830), wk = 0.0019608 k( 312) = ( 0.7811722 0.4242286 0.3569436), wk = 0.0019608 k( 313) = ( 0.7802446 0.4173402 0.3629043), wk = 0.0019608 k( 314) = ( 0.7793169 0.4104519 0.3688650), wk = 0.0019608 k( 315) = ( 0.7783893 0.4035636 0.3748257), wk = 0.0019608 k( 316) = ( 0.7774617 0.3966753 0.3807864), wk = 0.0019608 k( 317) = ( 0.7765340 0.3897870 0.3867470), wk = 0.0019608 k( 318) = ( 0.7756064 0.3828987 0.3927077), wk = 0.0019608 k( 319) = ( 0.7746788 0.3760104 0.3986684), wk = 0.0019608 k( 320) = ( 0.7737512 0.3691221 0.4046291), wk = 0.0019608 k( 321) = ( 0.7728235 0.3622337 0.4105898), wk = 0.0019608 k( 322) = ( 0.7718959 0.3553454 0.4165505), wk = 0.0019608 k( 323) = ( 0.7709683 0.3484571 0.4225111), wk = 0.0019608 k( 324) = ( 0.7700406 0.3415688 0.4284718), wk = 0.0019608 k( 325) = ( 0.7691130 0.3346805 0.4344325), wk = 0.0019608 k( 326) = ( 0.7681854 0.3277922 0.4403932), wk = 0.0019608 k( 327) = ( 0.7672577 0.3209039 0.4463539), wk = 0.0019608 k( 328) = ( 0.7663301 0.3140156 0.4523145), wk = 0.0019608 k( 329) = ( 0.7654025 0.3071272 0.4582752), wk = 0.0019608 k( 330) = ( 0.7644749 0.3002389 0.4642359), wk = 0.0019608 k( 331) = ( 0.7635472 0.2933506 0.4701966), wk = 0.0019608 k( 332) = ( 0.7626196 0.2864623 0.4761573), wk = 0.0019608 k( 333) = ( 0.7616920 0.2795740 0.4821180), wk = 0.0019608 k( 334) = ( 0.7607643 0.2726857 0.4880786), wk = 0.0019608 k( 335) = ( 0.7598367 0.2657974 0.4940393), wk = 0.0019608 k( 336) = ( 0.7589091 0.2589091 0.5000000), wk = 0.0019608 k( 337) = ( 0.7589091 0.2589091 0.5000000), wk = 0.0019608 k( 338) = ( 0.7519115 0.2577856 0.5058741), wk = 0.0019608 k( 339) = ( 0.7449140 0.2566621 0.5117481), wk = 0.0019608 k( 340) = ( 0.7379164 0.2555386 0.5176222), wk = 0.0019608 k( 341) = ( 0.7309189 0.2544151 0.5234962), wk = 0.0019608 k( 342) = ( 0.7239214 0.2532917 0.5293703), wk = 0.0019608 k( 343) = ( 0.7169238 0.2521682 0.5352444), wk = 0.0019608 k( 344) = ( 0.7099263 0.2510447 0.5411184), wk = 0.0019608 k( 345) = ( 0.7029287 0.2499212 0.5469925), wk = 0.0019608 k( 346) = ( 0.6959312 0.2487977 0.5528666), wk = 0.0019608 k( 347) = ( 0.6889336 0.2476743 0.5587406), wk = 0.0019608 k( 348) = ( 0.6819361 0.2465508 0.5646147), wk = 0.0019608 k( 349) = ( 0.6749386 0.2454273 0.5704887), wk = 0.0019608 k( 350) = ( 0.6679410 0.2443038 0.5763628), wk = 0.0019608 k( 351) = ( 0.6609435 0.2431803 0.5822369), wk = 0.0019608 k( 352) = ( 0.6539459 0.2420568 0.5881109), wk = 0.0019608 k( 353) = ( 0.6469484 0.2409334 0.5939850), wk = 0.0019608 k( 354) = ( 0.6399508 0.2398099 0.5998590), wk = 0.0019608 k( 355) = ( 0.6329533 0.2386864 0.6057331), wk = 0.0019608 k( 356) = ( 0.6259558 0.2375629 0.6116072), wk = 0.0019608 k( 357) = ( 0.6189582 0.2364394 0.6174812), wk = 0.0019608 k( 358) = ( 0.6119607 0.2353160 0.6233553), wk = 0.0019608 k( 359) = ( 0.6049631 0.2341925 0.6292294), wk = 0.0019608 k( 360) = ( 0.5979656 0.2330690 0.6351034), wk = 0.0019608 k( 361) = ( 0.5909680 0.2319455 0.6409775), wk = 0.0019608 k( 362) = ( 0.5839705 0.2308220 0.6468516), wk = 0.0019608 k( 363) = ( 0.5769730 0.2296986 0.6527256), wk = 0.0019608 k( 364) = ( 0.5699754 0.2285751 0.6585997), wk = 0.0019608 k( 365) = ( 0.5629779 0.2274516 0.6644737), wk = 0.0019608 k( 366) = ( 0.5559803 0.2263281 0.6703478), wk = 0.0019608 k( 367) = ( 0.5489828 0.2252047 0.6762219), wk = 0.0019608 k( 368) = ( 0.5419852 0.2240812 0.6820959), wk = 0.0019608 k( 369) = ( 0.5349877 0.2229577 0.6879700), wk = 0.0019608 k( 370) = ( 0.5279902 0.2218342 0.6938440), wk = 0.0019608 k( 371) = ( 0.5209926 0.2207107 0.6997181), wk = 0.0019608 k( 372) = ( 0.5139951 0.2195873 0.7055922), wk = 0.0019608 k( 373) = ( 0.5069975 0.2184638 0.7114662), wk = 0.0019608 k( 374) = ( 0.5000000 0.2173403 0.7173403), wk = 0.0019608 k( 375) = ( 0.5000000 0.7826597 0.2826597), wk = 0.0019608 k( 376) = ( 0.5000000 0.7738266 0.2738266), wk = 0.0019608 k( 377) = ( 0.5000000 0.7649935 0.2649935), wk = 0.0019608 k( 378) = ( 0.5000000 0.7561604 0.2561604), wk = 0.0019608 k( 379) = ( 0.5000000 0.7473272 0.2473272), wk = 0.0019608 k( 380) = ( 0.5000000 0.7384941 0.2384941), wk = 0.0019608 k( 381) = ( 0.5000000 0.7296610 0.2296610), wk = 0.0019608 k( 382) = ( 0.5000000 0.7208279 0.2208279), wk = 0.0019608 k( 383) = ( 0.5000000 0.7119948 0.2119948), wk = 0.0019608 k( 384) = ( 0.5000000 0.7031617 0.2031617), wk = 0.0019608 k( 385) = ( 0.5000000 0.6943285 0.1943285), wk = 0.0019608 k( 386) = ( 0.5000000 0.6854954 0.1854954), wk = 0.0019608 k( 387) = ( 0.5000000 0.6766623 0.1766623), wk = 0.0019608 k( 388) = ( 0.5000000 0.6678292 0.1678292), wk = 0.0019608 k( 389) = ( 0.5000000 0.6589961 0.1589961), wk = 0.0019608 k( 390) = ( 0.5000000 0.6501630 0.1501630), wk = 0.0019608 k( 391) = ( 0.5000000 0.6413299 0.1413299), wk = 0.0019608 k( 392) = ( 0.5000000 0.6324967 0.1324967), wk = 0.0019608 k( 393) = ( 0.5000000 0.6236636 0.1236636), wk = 0.0019608 k( 394) = ( 0.5000000 0.6148305 0.1148305), wk = 0.0019608 k( 395) = ( 0.5000000 0.6059974 0.1059974), wk = 0.0019608 k( 396) = ( 0.5000000 0.5971643 0.0971643), wk = 0.0019608 k( 397) = ( 0.5000000 0.5883312 0.0883312), wk = 0.0019608 k( 398) = ( 0.5000000 0.5794980 0.0794980), wk = 0.0019608 k( 399) = ( 0.5000000 0.5706649 0.0706649), wk = 0.0019608 k( 400) = ( 0.5000000 0.5618318 0.0618318), wk = 0.0019608 k( 401) = ( 0.5000000 0.5529987 0.0529987), wk = 0.0019608 k( 402) = ( 0.5000000 0.5441656 0.0441656), wk = 0.0019608 k( 403) = ( 0.5000000 0.5353325 0.0353325), wk = 0.0019608 k( 404) = ( 0.5000000 0.5264993 0.0264993), wk = 0.0019608 k( 405) = ( 0.5000000 0.5176662 0.0176662), wk = 0.0019608 k( 406) = ( 0.5000000 0.5088331 0.0088331), wk = 0.0019608 k( 407) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0019608 k( 408) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019608 k( 409) = ( 0.0096436 0.5096436 0.5000000), wk = 0.0019608 k( 410) = ( 0.0192873 0.5192873 0.5000000), wk = 0.0019608 k( 411) = ( 0.0289309 0.5289309 0.5000000), wk = 0.0019608 k( 412) = ( 0.0385745 0.5385745 0.5000000), wk = 0.0019608 k( 413) = ( 0.0482182 0.5482182 0.5000000), wk = 0.0019608 k( 414) = ( 0.0578618 0.5578618 0.5000000), wk = 0.0019608 k( 415) = ( 0.0675055 0.5675055 0.5000000), wk = 0.0019608 k( 416) = ( 0.0771491 0.5771491 0.5000000), wk = 0.0019608 k( 417) = ( 0.0867927 0.5867927 0.5000000), wk = 0.0019608 k( 418) = ( 0.0964364 0.5964364 0.5000000), wk = 0.0019608 k( 419) = ( 0.1060800 0.6060800 0.5000000), wk = 0.0019608 k( 420) = ( 0.1157236 0.6157236 0.5000000), wk = 0.0019608 k( 421) = ( 0.1253673 0.6253673 0.5000000), wk = 0.0019608 k( 422) = ( 0.1350109 0.6350109 0.5000000), wk = 0.0019608 k( 423) = ( 0.1446546 0.6446546 0.5000000), wk = 0.0019608 k( 424) = ( 0.1542982 0.6542982 0.5000000), wk = 0.0019608 k( 425) = ( 0.1639418 0.6639418 0.5000000), wk = 0.0019608 k( 426) = ( 0.1735855 0.6735855 0.5000000), wk = 0.0019608 k( 427) = ( 0.1832291 0.6832291 0.5000000), wk = 0.0019608 k( 428) = ( 0.1928728 0.6928727 0.5000000), wk = 0.0019608 k( 429) = ( 0.2025164 0.7025164 0.5000000), wk = 0.0019608 k( 430) = ( 0.2121600 0.7121600 0.5000000), wk = 0.0019608 k( 431) = ( 0.2218037 0.7218037 0.5000000), wk = 0.0019608 k( 432) = ( 0.2314473 0.7314473 0.5000000), wk = 0.0019608 k( 433) = ( 0.2410909 0.7410909 0.5000000), wk = 0.0019608 k( 434) = ( 0.7589091 0.2589091 0.5000000), wk = 0.0019608 k( 435) = ( 0.7493198 0.2493198 0.5000000), wk = 0.0019608 k( 436) = ( 0.7397306 0.2397306 0.5000000), wk = 0.0019608 k( 437) = ( 0.7301414 0.2301414 0.5000000), wk = 0.0019608 k( 438) = ( 0.7205522 0.2205522 0.5000000), wk = 0.0019608 k( 439) = ( 0.7109629 0.2109629 0.5000000), wk = 0.0019608 k( 440) = ( 0.7013737 0.2013737 0.5000000), wk = 0.0019608 k( 441) = ( 0.6917845 0.1917845 0.5000000), wk = 0.0019608 k( 442) = ( 0.6821953 0.1821953 0.5000000), wk = 0.0019608 k( 443) = ( 0.6726060 0.1726060 0.5000000), wk = 0.0019608 k( 444) = ( 0.6630168 0.1630168 0.5000000), wk = 0.0019608 k( 445) = ( 0.6534276 0.1534276 0.5000000), wk = 0.0019608 k( 446) = ( 0.6438384 0.1438384 0.5000000), wk = 0.0019608 k( 447) = ( 0.6342491 0.1342491 0.5000000), wk = 0.0019608 k( 448) = ( 0.6246599 0.1246599 0.5000000), wk = 0.0019608 k( 449) = ( 0.6150707 0.1150707 0.5000000), wk = 0.0019608 k( 450) = ( 0.6054815 0.1054815 0.5000000), wk = 0.0019608 k( 451) = ( 0.5958922 0.0958922 0.5000000), wk = 0.0019608 k( 452) = ( 0.5863030 0.0863030 0.5000000), wk = 0.0019608 k( 453) = ( 0.5767138 0.0767138 0.5000000), wk = 0.0019608 k( 454) = ( 0.5671246 0.0671246 0.5000000), wk = 0.0019608 k( 455) = ( 0.5575353 0.0575354 0.5000000), wk = 0.0019608 k( 456) = ( 0.5479461 0.0479461 0.5000000), wk = 0.0019608 k( 457) = ( 0.5383569 0.0383569 0.5000000), wk = 0.0019608 k( 458) = ( 0.5287677 0.0287677 0.5000000), wk = 0.0019608 k( 459) = ( 0.5191784 0.0191785 0.5000000), wk = 0.0019608 k( 460) = ( 0.5095892 0.0095892 0.5000000), wk = 0.0019608 k( 461) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019608 k( 462) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019608 k( 463) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0019608 k( 464) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0019608 k( 465) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0019608 k( 466) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0019608 k( 467) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0019608 k( 468) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0019608 k( 469) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0019608 k( 470) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0019608 k( 471) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0019608 k( 472) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0019608 k( 473) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0019608 k( 474) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0019608 k( 475) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0019608 k( 476) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0019608 k( 477) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0019608 k( 478) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0019608 k( 479) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0019608 k( 480) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0019608 k( 481) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0019608 k( 482) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0019608 k( 483) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0019608 k( 484) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0019608 k( 485) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0019608 k( 486) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019608 k( 487) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0019608 k( 488) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0019608 k( 489) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0019608 k( 490) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0019608 k( 491) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0019608 k( 492) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0019608 k( 493) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0019608 k( 494) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0019608 k( 495) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0019608 k( 496) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0019608 k( 497) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0019608 k( 498) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0019608 k( 499) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0019608 k( 500) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0019608 k( 501) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0019608 k( 502) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0019608 k( 503) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0019608 k( 504) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0019608 k( 505) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0019608 k( 506) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0019608 k( 507) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0019608 k( 508) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0019608 k( 509) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0019608 k( 510) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019608 Dense grid: 20705 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 15325 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 78, 16) NL pseudopotentials 0.01 Mb ( 39, 16) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 430) G-vector shells 0.00 Mb ( 404) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 78, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 16, 2, 16) The potential is recalculated from file : ./HBr.save/charge-density.dat Starting wfc are 10 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.9 secs Computing kpt #: 2 total cpu time spent up to now is 40.1 secs Computing kpt #: 3 total cpu time spent up to now is 40.3 secs Computing kpt #: 4 total cpu time spent up to now is 40.5 secs Computing kpt #: 5 total cpu time spent up to now is 40.7 secs Computing kpt #: 6 total cpu time spent up to now is 40.9 secs Computing kpt #: 7 total cpu time spent up to now is 41.2 secs Computing kpt #: 8 total cpu time spent up to now is 41.4 secs Computing kpt #: 9 total cpu time spent up to now is 41.5 secs Computing kpt #: 10 total cpu time spent up to now is 41.7 secs Computing kpt #: 11 total cpu time spent up to now is 41.9 secs Computing kpt #: 12 total cpu time spent up to now is 42.1 secs Computing kpt #: 13 total cpu time spent up to now is 42.3 secs Computing kpt #: 14 total cpu time spent up to now is 42.5 secs Computing kpt #: 15 total cpu time spent up to now is 42.7 secs Computing kpt #: 16 total cpu time spent up to now is 43.0 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total cpu time spent up to now is 97.3 secs Computing kpt #: 234 total cpu time spent up to now is 97.5 secs Computing kpt #: 235 total cpu time spent up to now is 98.3 secs Computing kpt #: 236 total cpu time spent up to now is 98.6 secs Computing kpt #: 237 total cpu time spent up to now is 99.0 secs Computing kpt #: 238 total cpu time spent up to now is 99.3 secs Computing kpt #: 239 total cpu time spent up to now is 99.6 secs Computing kpt #: 240 total cpu time spent up to now is 100.0 secs Computing kpt #: 241 total cpu time spent up to now is 100.3 secs Computing kpt #: 242 total cpu time spent up to now is 100.7 secs Computing kpt #: 243 total cpu time spent up to now is 101.0 secs Computing kpt #: 244 total cpu time spent up to now is 101.3 secs Computing kpt #: 245 total cpu time spent up to now is 101.7 secs Computing kpt #: 246 total cpu time spent up to now is 102.0 secs Computing kpt #: 247 total cpu time spent up to now is 102.3 secs Computing kpt #: 248 total cpu time spent up to now is 102.6 secs Computing kpt #: 249 total cpu time spent up to now is 103.0 secs Computing kpt #: 250 total cpu time spent up to now is 103.4 secs Computing kpt #: 251 total cpu time spent up to now is 103.6 secs Computing kpt #: 252 total cpu time spent up to now is 103.9 secs Computing kpt #: 253 total cpu time spent up to now is 104.1 secs Computing kpt #: 254 total cpu time spent up to now is 104.4 secs Computing kpt #: 255 total cpu time spent up to now is 104.6 secs Computing kpt #: 256 total cpu time spent up to now is 104.8 secs Computing kpt #: 257 total cpu time spent up to now is 105.1 secs Computing kpt #: 258 total cpu time spent up to now is 105.5 secs Computing kpt #: 259 total cpu time spent up to now is 105.8 secs Computing kpt #: 260 total cpu time spent up to now is 106.0 secs Computing kpt #: 261 total cpu time spent up to now is 106.3 secs Computing kpt #: 262 total cpu time spent up to now is 106.5 secs Computing kpt #: 263 total cpu time spent up 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Computing kpt #: 294 total cpu time spent up to now is 113.1 secs Computing kpt #: 295 total cpu time spent up to now is 113.3 secs Computing kpt #: 296 total cpu time spent up to now is 113.4 secs Computing kpt #: 297 total cpu time spent up to now is 113.6 secs Computing kpt #: 298 total cpu time spent up to now is 113.8 secs Computing kpt #: 299 total cpu time spent up to now is 113.9 secs Computing kpt #: 300 total cpu time spent up to now is 114.1 secs Computing kpt #: 301 total cpu time spent up to now is 114.2 secs Computing kpt #: 302 total cpu time spent up to now is 114.4 secs Computing kpt #: 303 total cpu time spent up to now is 114.5 secs Computing kpt #: 304 total cpu time spent up to now is 114.7 secs Computing kpt #: 305 total cpu time spent up to now is 114.9 secs Computing kpt #: 306 total cpu time spent up to now is 115.0 secs Computing kpt #: 307 total cpu time spent up to now is 115.2 secs Computing kpt #: 308 total cpu time spent up to now is 115.3 secs Computing kpt #: 309 total cpu time spent up to now is 115.5 secs Computing kpt #: 310 total cpu time spent up to now is 115.6 secs Computing kpt #: 311 total cpu time spent up to now is 115.7 secs Computing kpt #: 312 total cpu time spent up to now is 115.9 secs Computing kpt #: 313 total cpu time spent up to now is 116.0 secs Computing kpt #: 314 total cpu time spent up to now is 116.2 secs Computing kpt #: 315 total cpu time spent up to now is 116.4 secs Computing kpt #: 316 total cpu time spent up to now is 116.6 secs Computing kpt #: 317 total cpu time spent up to now is 117.2 secs Computing kpt #: 318 total cpu time spent up to now is 117.5 secs Computing kpt #: 319 total cpu time spent up to now is 117.8 secs Computing kpt #: 320 total cpu time spent up to now is 118.0 secs Computing kpt #: 321 total cpu time spent up to now is 118.3 secs Computing kpt #: 322 total cpu time spent up to now is 118.5 secs Computing kpt #: 323 total cpu time spent up to now is 118.8 secs Computing kpt #: 324 total cpu time spent up to now is 119.1 secs Computing kpt #: 325 total cpu time spent up to now is 119.3 secs Computing kpt #: 326 total cpu time spent up to now is 119.6 secs Computing kpt #: 327 total cpu time spent up to now is 119.7 secs Computing kpt #: 328 total cpu time spent up to now is 119.9 secs Computing kpt #: 329 total cpu time spent up to now is 120.1 secs Computing kpt #: 330 total cpu time spent up to now is 120.3 secs Computing kpt #: 331 total cpu time spent up to now is 120.6 secs Computing kpt #: 332 total cpu time spent up to now is 120.7 secs Computing kpt #: 333 total cpu time spent up to now is 120.9 secs Computing kpt #: 334 total cpu time spent up to now is 121.2 secs Computing kpt #: 335 total cpu time spent up to now is 121.5 secs Computing kpt #: 336 total cpu time spent up to now is 121.7 secs Computing kpt #: 337 total cpu time spent up to now is 121.9 secs Computing kpt #: 338 total cpu time spent up to now is 122.1 secs Computing kpt #: 339 total cpu time spent up to now is 122.2 secs Computing kpt #: 340 total cpu time spent up to now is 122.4 secs Computing kpt #: 341 total cpu time spent up to now is 122.5 secs Computing kpt #: 342 total cpu time spent up to now is 122.6 secs Computing kpt #: 343 total cpu time spent up to now is 122.7 secs Computing kpt #: 344 total cpu time spent up to now is 122.9 secs Computing kpt #: 345 total cpu time spent up to now is 123.0 secs Computing kpt #: 346 total cpu time spent up to now is 123.2 secs Computing kpt #: 347 total cpu time spent up to now is 123.4 secs Computing kpt #: 348 total cpu time spent up to now is 123.5 secs Computing kpt #: 349 total cpu time spent up to now is 123.7 secs Computing kpt #: 350 total cpu time spent up to now is 123.9 secs Computing kpt #: 351 total cpu time spent up to now is 124.2 secs Computing kpt #: 352 total cpu time spent up to now is 124.5 secs Computing kpt #: 353 total cpu time spent up to now is 125.1 secs Computing kpt #: 354 total cpu time spent up to now is 125.4 secs Computing kpt #: 355 total cpu time spent up to now is 125.8 secs Computing kpt #: 356 total cpu time spent up to now is 126.0 secs Computing kpt #: 357 total cpu time spent up to now is 126.2 secs Computing kpt #: 358 total cpu time spent up to now is 126.4 secs Computing kpt #: 359 total cpu time spent up to now is 126.6 secs Computing kpt #: 360 total cpu time spent up to now is 126.8 secs Computing kpt #: 361 total cpu time spent up to now is 127.0 secs Computing kpt #: 362 total cpu time spent up to now is 127.1 secs Computing kpt #: 363 total cpu time spent up to now is 127.2 secs Computing kpt #: 364 total cpu time spent up to now is 127.4 secs Computing kpt #: 365 total cpu time spent up to now is 127.5 secs Computing kpt #: 366 total cpu time spent up to now is 127.6 secs Computing kpt #: 367 total cpu time spent up to now is 127.8 secs Computing kpt #: 368 total cpu time spent up to now is 127.9 secs Computing kpt #: 369 total cpu time spent up to now is 128.0 secs Computing kpt #: 370 total cpu time spent up to now is 128.2 secs Computing kpt #: 371 total cpu time spent up to now is 128.3 secs Computing kpt #: 372 total cpu time spent up to now is 128.4 secs Computing kpt #: 373 total cpu time spent up to now is 129.8 secs Computing kpt #: 374 total cpu time spent up to now is 130.0 secs Computing kpt #: 375 total cpu time spent up to now is 130.2 secs Computing kpt #: 376 total cpu time spent up to now is 130.4 secs Computing kpt #: 377 total cpu time spent up to now is 130.7 secs Computing kpt #: 378 total cpu time spent up to now is 130.9 secs Computing kpt #: 379 total cpu time spent up to now is 131.1 secs Computing kpt #: 380 total cpu time spent up to now is 131.3 secs Computing kpt #: 381 total cpu time spent up to now is 131.4 secs Computing kpt #: 382 total cpu time spent up to now is 131.8 secs Computing kpt #: 383 total cpu time spent up to now is 132.0 secs Computing kpt #: 384 total cpu time spent up to now is 132.2 secs Computing kpt #: 385 total cpu time spent up to now is 132.4 secs Computing kpt #: 386 total cpu time spent up to now is 132.6 secs Computing kpt #: 387 total cpu time spent up to now is 132.7 secs Computing kpt #: 388 total cpu time spent up to now is 132.8 secs Computing kpt #: 389 total cpu time spent up to now is 132.9 secs Computing kpt #: 390 total cpu time spent up to now is 133.1 secs Computing kpt #: 391 total cpu time spent up to now is 133.2 secs Computing kpt #: 392 total cpu time spent up to now is 133.3 secs Computing kpt #: 393 total cpu time spent up to now is 133.5 secs Computing kpt #: 394 total cpu time spent up to now is 133.8 secs Computing kpt #: 395 total cpu time spent up to now is 134.0 secs Computing kpt #: 396 total cpu time spent up to now is 134.2 secs Computing kpt #: 397 total cpu time spent up to now is 134.3 secs Computing kpt #: 398 total cpu time spent up to now is 134.5 secs Computing kpt #: 399 total cpu time spent up to now is 134.9 secs Computing kpt #: 400 total cpu time spent up to now is 135.9 secs Computing kpt #: 401 total cpu time spent up to now is 136.2 secs Computing kpt #: 402 total cpu time spent up to now is 136.5 secs Computing kpt #: 403 total cpu time spent up to now is 136.8 secs Computing kpt #: 404 total cpu time spent up to now is 137.0 secs Computing kpt #: 405 total cpu time spent up to now is 137.3 secs Computing kpt #: 406 total cpu time spent up to now is 137.6 secs Computing kpt #: 407 total cpu time spent up to now is 138.0 secs Computing kpt #: 408 total cpu time spent up to now is 138.2 secs Computing kpt #: 409 total cpu time spent up to now is 138.7 secs Computing kpt #: 410 total cpu time spent up to now is 138.9 secs Computing kpt #: 411 total cpu time spent up to now is 139.1 secs Computing kpt #: 412 total cpu time spent up to now is 139.2 secs Computing kpt #: 413 total cpu time spent up to now is 139.4 secs Computing kpt #: 414 total cpu time spent up to now is 139.5 secs Computing kpt #: 415 total cpu time spent up to now is 139.7 secs Computing kpt #: 416 total cpu time spent up to now is 139.8 secs Computing kpt #: 417 total cpu time spent up to now is 139.9 secs Computing kpt #: 418 total cpu time spent up to now is 140.1 secs Computing kpt #: 419 total cpu time spent up to now is 140.2 secs Computing kpt #: 420 total cpu time spent up to now is 140.3 secs Computing kpt #: 421 total cpu time spent up to now is 140.5 secs Computing kpt #: 422 total cpu time spent up to now is 140.6 secs Computing kpt #: 423 total cpu time spent up to now is 140.7 secs Computing kpt #: 424 total cpu time spent up to now is 140.8 secs Computing kpt #: 425 total cpu time spent up to now is 141.0 secs Computing kpt #: 426 total cpu time spent up to now is 141.1 secs Computing kpt #: 427 total cpu time spent up to now is 141.2 secs Computing kpt #: 428 total cpu time spent up to now is 141.3 secs Computing kpt #: 429 total cpu time spent up to now is 141.5 secs Computing kpt #: 430 total cpu time spent up to now is 141.6 secs Computing kpt #: 431 total cpu time spent up to now is 141.7 secs Computing kpt #: 432 total cpu time spent up to now is 141.8 secs Computing kpt #: 433 total cpu time spent up to now is 142.0 secs Computing kpt #: 434 total cpu time spent up to now is 142.1 secs Computing kpt #: 435 total cpu time spent up to now is 142.2 secs Computing kpt #: 436 total cpu time spent up to now is 142.3 secs Computing kpt #: 437 total cpu time spent up to now is 142.4 secs Computing kpt #: 438 total cpu time spent up to now is 142.6 secs Computing kpt #: 439 total cpu time spent up to now is 142.7 secs Computing kpt #: 440 total cpu time spent up to now is 142.8 secs Computing kpt #: 441 total cpu time spent up to now is 142.9 secs Computing kpt #: 442 total cpu time spent up to now is 143.2 secs Computing kpt #: 443 total cpu time spent up to now is 143.4 secs Computing kpt #: 444 total cpu time spent up to now is 143.5 secs Computing kpt #: 445 total cpu time spent up to now is 143.8 secs Computing kpt #: 446 total cpu time spent up to now is 143.9 secs Computing kpt #: 447 total cpu time spent up to now is 144.1 secs Computing kpt #: 448 total cpu time spent up to now is 144.2 secs Computing kpt #: 449 total cpu time spent up to now is 144.4 secs Computing kpt #: 450 total cpu time spent up to now is 144.7 secs Computing kpt #: 451 total cpu time spent up to now is 145.1 secs Computing kpt #: 452 total cpu time spent up to now is 145.3 secs Computing kpt #: 453 total cpu time spent up to now is 145.5 secs Computing kpt #: 454 total cpu time spent up to now is 145.6 secs Computing kpt #: 455 total cpu time spent up to now is 146.1 secs Computing kpt #: 456 total cpu time spent up to now is 146.2 secs Computing kpt #: 457 total cpu time spent up to now is 146.5 secs Computing kpt #: 458 total cpu time spent up to now is 146.7 secs Computing kpt #: 459 total cpu time spent up to now is 147.0 secs Computing kpt #: 460 total cpu time spent up to now is 147.3 secs Computing kpt #: 461 total cpu time spent up to now is 147.8 secs Computing kpt #: 462 total cpu time spent up to now is 147.9 secs Computing kpt #: 463 total cpu time spent up to now is 148.7 secs Computing kpt #: 464 total cpu time spent up to now is 149.0 secs Computing kpt #: 465 total cpu time spent up to now is 149.1 secs Computing kpt #: 466 total cpu time spent up to now is 149.3 secs Computing kpt #: 467 total cpu time spent up to now is 149.5 secs Computing kpt #: 468 total cpu time spent up to now is 149.6 secs Computing kpt #: 469 total cpu time spent up to now is 149.8 secs Computing kpt #: 470 total cpu time spent up to now is 150.0 secs Computing kpt #: 471 total cpu time spent up to now is 150.2 secs Computing kpt #: 472 total cpu time spent up to now is 150.6 secs Computing kpt #: 473 total cpu time spent up to now is 151.2 secs Computing kpt #: 474 total cpu time spent up to now is 151.4 secs Computing kpt #: 475 total cpu time spent up to now is 151.5 secs Computing kpt #: 476 total cpu time spent up to now is 151.9 secs Computing kpt #: 477 total cpu time spent up to now is 152.1 secs Computing kpt #: 478 total cpu time spent up to now is 152.2 secs Computing kpt #: 479 total cpu time spent up to now is 152.4 secs Computing kpt #: 480 total cpu time spent up to now is 152.6 secs Computing kpt #: 481 total cpu time spent up to now is 152.8 secs Computing kpt #: 482 total cpu time spent up to now is 153.0 secs Computing kpt #: 483 total cpu time spent up to now is 153.2 secs Computing kpt #: 484 total cpu time spent up to now is 153.3 secs Computing kpt #: 485 total cpu time spent up to now is 153.6 secs Computing kpt #: 486 total cpu time spent up to now is 153.8 secs Computing kpt #: 487 total cpu time spent up to now is 154.1 secs Computing kpt #: 488 total cpu time spent up to now is 154.3 secs Computing kpt #: 489 total cpu time spent up to now is 154.6 secs Computing kpt #: 490 total cpu time spent up to now is 154.8 secs Computing kpt #: 491 total cpu time spent up to now is 155.2 secs Computing kpt #: 492 total cpu time spent up to now is 155.4 secs Computing kpt #: 493 total cpu time spent up to now is 155.6 secs Computing kpt #: 494 total cpu time spent up to now is 155.8 secs Computing kpt #: 495 total cpu time spent up to now is 156.1 secs Computing kpt #: 496 total cpu time spent up to now is 156.3 secs Computing kpt #: 497 total cpu time spent up to now is 156.5 secs Computing kpt #: 498 total cpu time spent up to now is 156.9 secs Computing kpt #: 499 total cpu time spent up to now is 157.2 secs Computing kpt #: 500 total cpu time spent up to now is 157.6 secs Computing kpt #: 501 total cpu time spent up to now is 157.9 secs Computing kpt #: 502 total cpu time spent up to now is 158.2 secs Computing kpt #: 503 total cpu time spent up to now is 158.7 secs Computing kpt #: 504 total cpu time spent up to now is 159.1 secs Computing kpt #: 505 total cpu time spent up to now is 159.3 secs Computing kpt #: 506 total cpu time spent up to now is 159.5 secs Computing kpt #: 507 total cpu time spent up to now is 159.7 secs Computing kpt #: 508 total cpu time spent up to now is 160.0 secs Computing kpt #: 509 total cpu time spent up to now is 160.2 secs Computing kpt #: 510 total cpu time spent up to now is 160.4 secs ethr = 1.25E-10, avg # of iterations = 25.3 total cpu time spent up to now is 160.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -13.8977 -13.8977 -1.0821 -1.0821 -0.9677 -0.9677 -0.4329 -0.4329 -0.3631 -0.3631 9.3201 9.3201 10.4672 10.4672 11.0019 11.0019 k = 0.0089-0.0057 0.0077 ( 1914 PWs) bands (ev): -13.8974 -13.8974 -1.1087 -1.1087 -0.9493 -0.9493 -0.4280 -0.4280 -0.3608 -0.3608 9.3191 9.3191 10.4693 10.4693 10.9952 10.9952 k = 0.0179-0.0115 0.0154 ( 1914 PWs) bands (ev): -13.8963 -13.8963 -1.1645 -1.1645 -0.9177 -0.9177 -0.4167 -0.4167 -0.3511 -0.3511 9.3161 9.3161 10.4751 10.4751 10.9752 10.9752 k = 0.0268-0.0172 0.0231 ( 1914 PWs) bands (ev): -13.8946 -13.8946 -1.2307 -1.2307 -0.8905 -0.8905 -0.4075 -0.4075 -0.3266 -0.3266 9.3111 9.3111 10.4849 10.4849 10.9426 10.9426 k = 0.0357-0.0229 0.0308 ( 1918 PWs) bands (ev): -13.8922 -13.8922 -1.3019 -1.3019 -0.8708 -0.8708 -0.4052 -0.4052 -0.2850 -0.2850 9.3039 9.3039 10.4985 10.4985 10.8984 10.8984 k = 0.0446-0.0286 0.0385 ( 1918 PWs) bands (ev): -13.8891 -13.8891 -1.3757 -1.3757 -0.8584 -0.8584 -0.4075 -0.4075 -0.2310 -0.2310 9.2944 9.2944 10.5159 10.5159 10.8440 10.8440 k = 0.0536-0.0344 0.0462 ( 1918 PWs) bands (ev): -13.8853 -13.8853 -1.4508 -1.4508 -0.8521 -0.8521 -0.4127 -0.4127 -0.1691 -0.1691 9.2824 9.2824 10.5372 10.5372 10.7807 10.7807 k = 0.0625-0.0401 0.0539 ( 1918 PWs) bands (ev): -13.8809 -13.8809 -1.5263 -1.5263 -0.8507 -0.8507 -0.4197 -0.4197 -0.1026 -0.1026 9.2678 9.2678 10.5623 10.5623 10.7098 10.7098 k = 0.0714-0.0458 0.0616 ( 1914 PWs) bands (ev): -13.8758 -13.8758 -1.6017 -1.6017 -0.8531 -0.8531 -0.4283 -0.4283 -0.0336 -0.0336 9.2504 9.2504 10.5911 10.5911 10.6328 10.6328 k = 0.0804-0.0515 0.0693 ( 1916 PWs) bands (ev): -13.8701 -13.8701 -1.6763 -1.6763 -0.8585 -0.8585 -0.4382 -0.4382 0.0362 0.0362 9.2301 9.2301 10.5506 10.5506 10.6234 10.6234 k = 0.0893-0.0573 0.0770 ( 1920 PWs) bands (ev): -13.8638 -13.8638 -1.7500 -1.7500 -0.8665 -0.8665 -0.4492 -0.4492 0.1057 0.1057 9.2069 9.2069 10.4645 10.4645 10.6593 10.6593 k = 0.0982-0.0630 0.0847 ( 1926 PWs) bands (ev): -13.8569 -13.8569 -1.8222 -1.8222 -0.8766 -0.8766 -0.4613 -0.4613 0.1738 0.1738 9.1810 9.1810 10.3754 10.3754 10.6987 10.6987 k = 0.1071-0.0687 0.0924 ( 1926 PWs) bands (ev): -13.8494 -13.8494 -1.8929 -1.8929 -0.8885 -0.8885 -0.4744 -0.4744 0.2396 0.2396 9.1525 9.1525 10.2842 10.2842 10.7415 10.7415 k = 0.1161-0.0744 0.1001 ( 1926 PWs) bands (ev): -13.8414 -13.8414 -1.9618 -1.9618 -0.9019 -0.9019 -0.4884 -0.4884 0.3024 0.3024 9.1220 9.1220 10.1915 10.1915 10.7876 10.7876 k = 0.1250-0.0802 0.1078 ( 1926 PWs) bands (ev): -13.8328 -13.8328 -2.0286 -2.0286 -0.9167 -0.9167 -0.5032 -0.5032 0.3614 0.3614 9.0900 9.0900 10.0979 10.0979 10.8369 10.8369 k = 0.1339-0.0859 0.1155 ( 1914 PWs) bands (ev): -13.8238 -13.8238 -2.0933 -2.0933 -0.9328 -0.9328 -0.5188 -0.5188 0.4162 0.4162 9.0574 9.0574 10.0039 10.0039 10.8895 10.8895 k = 0.1429-0.0916 0.1232 ( 1914 PWs) bands (ev): -13.8142 -13.8142 -2.1557 -2.1557 -0.9500 -0.9500 -0.5351 -0.5351 0.4660 0.4660 9.0252 9.0252 9.9100 9.9100 10.9445 10.9445 k = 0.1518-0.0973 0.1309 ( 1918 PWs) bands (ev): -13.8042 -13.8042 -2.2157 -2.2157 -0.9681 -0.9681 -0.5519 -0.5519 0.5104 0.5104 8.9944 8.9944 9.8165 9.8165 10.9997 10.9997 k = 0.1607-0.1031 0.1387 ( 1918 PWs) bands (ev): -13.7938 -13.7938 -2.2732 -2.2732 -0.9872 -0.9872 -0.5693 -0.5693 0.5488 0.5488 8.9661 8.9661 9.7237 9.7237 11.0308 11.0308 k = 0.1696-0.1088 0.1464 ( 1924 PWs) bands (ev): -13.7831 -13.7831 -2.3281 -2.3281 -1.0070 -1.0070 -0.5872 -0.5872 0.5808 0.5808 8.9416 8.9416 9.6319 9.6319 11.0438 11.0438 k = 0.1786-0.1145 0.1541 ( 1924 PWs) bands (ev): -13.7719 -13.7719 -2.3803 -2.3803 -1.0274 -1.0274 -0.6055 -0.6055 0.6060 0.6060 8.9219 8.9219 9.5413 9.5413 11.0579 11.0579 k = 0.1875-0.1203 0.1618 ( 1928 PWs) bands (ev): -13.7605 -13.7605 -2.4297 -2.4297 -1.0485 -1.0485 -0.6241 -0.6241 0.6241 0.6241 8.9082 8.9082 9.4522 9.4522 11.0745 11.0745 k = 0.1964-0.1260 0.1695 ( 1920 PWs) bands (ev): -13.7487 -13.7487 -2.4762 -2.4762 -1.0700 -1.0700 -0.6430 -0.6430 0.6350 0.6350 8.9013 8.9013 9.3647 9.3647 11.0942 11.0942 k = 0.2054-0.1317 0.1772 ( 1920 PWs) bands (ev): -13.7367 -13.7367 -2.5198 -2.5198 -1.0920 -1.0920 -0.6621 -0.6621 0.6383 0.6383 8.9020 8.9020 9.2789 9.2789 11.1168 11.1168 k = 0.2143-0.1374 0.1849 ( 1918 PWs) bands (ev): -13.7246 -13.7246 -2.5604 -2.5604 -1.1142 -1.1142 -0.6814 -0.6814 0.6340 0.6340 8.9109 8.9109 9.1949 9.1949 11.1424 11.1424 k = 0.2232-0.1432 0.1926 ( 1918 PWs) bands (ev): -13.7122 -13.7122 -2.5979 -2.5979 -1.1367 -1.1367 -0.7007 -0.7007 0.6222 0.6222 8.9286 8.9286 9.1129 9.1129 11.1711 11.1711 k = 0.2321-0.1489 0.2003 ( 1918 PWs) bands (ev): -13.6997 -13.6997 -2.6324 -2.6324 -1.1593 -1.1593 -0.7201 -0.7201 0.6029 0.6029 8.9552 8.9552 9.0330 9.0330 11.2028 11.2028 k = 0.2411-0.1546 0.2080 ( 1918 PWs) bands (ev): -13.6871 -13.6871 -2.6637 -2.6637 -1.1820 -1.1820 -0.7394 -0.7394 0.5763 0.5763 8.9552 8.9552 8.9910 8.9910 11.2375 11.2375 k = 0.2500-0.1603 0.2157 ( 1914 PWs) bands (ev): -13.6745 -13.6745 -2.6919 -2.6919 -1.2046 -1.2046 -0.7586 -0.7586 0.5428 0.5428 8.8797 8.8797 9.0360 9.0360 11.2754 11.2754 k = 0.2589-0.1661 0.2234 ( 1914 PWs) bands (ev): -13.6618 -13.6618 -2.7170 -2.7170 -1.2272 -1.2272 -0.7777 -0.7777 0.5026 0.5026 8.8065 8.8065 9.0900 9.0900 11.3163 11.3163 k = 0.2679-0.1718 0.2311 ( 1918 PWs) bands (ev): -13.6492 -13.6492 -2.7388 -2.7388 -1.2495 -1.2495 -0.7966 -0.7966 0.4561 0.4561 8.7355 8.7355 9.1529 9.1529 11.3599 11.3599 k = 0.2768-0.1775 0.2388 ( 1918 PWs) bands (ev): -13.6367 -13.6367 -2.7574 -2.7574 -1.2716 -1.2716 -0.8152 -0.8152 0.4038 0.4038 8.6670 8.6670 9.2242 9.2242 11.4065 11.4065 k = 0.2857-0.1832 0.2465 ( 1914 PWs) bands (ev): -13.6242 -13.6242 -2.7729 -2.7729 -1.2934 -1.2934 -0.8336 -0.8336 0.3462 0.3462 8.6009 8.6009 9.3035 9.3035 11.4559 11.4559 k = 0.2946-0.1890 0.2542 ( 1914 PWs) bands (ev): -13.6119 -13.6119 -2.7851 -2.7851 -1.3147 -1.3147 -0.8515 -0.8515 0.2837 0.2837 8.5373 8.5373 9.3903 9.3903 11.5079 11.5079 k = 0.3036-0.1947 0.2619 ( 1914 PWs) bands (ev): -13.5998 -13.5998 -2.7942 -2.7942 -1.3356 -1.3356 -0.8691 -0.8691 0.2170 0.2170 8.4762 8.4762 9.4840 9.4840 11.5625 11.5625 k = 0.3125-0.2004 0.2696 ( 1904 PWs) bands (ev): -13.5880 -13.5880 -2.8002 -2.8002 -1.3559 -1.3559 -0.8862 -0.8862 0.1467 0.1467 8.4177 8.4177 9.5840 9.5840 11.6196 11.6196 k = 0.3214-0.2061 0.2773 ( 1900 PWs) bands (ev): -13.5763 -13.5763 -2.8030 -2.8030 -1.3757 -1.3757 -0.9028 -0.9028 0.0731 0.0731 8.3617 8.3617 9.6897 9.6897 11.6789 11.6789 k = 0.3304-0.2119 0.2850 ( 1892 PWs) bands (ev): -13.5650 -13.5650 -2.8028 -2.8028 -1.3947 -1.3947 -0.9189 -0.9189 -0.0029 -0.0029 8.3084 8.3084 9.8002 9.8002 11.7403 11.7403 k = 0.3393-0.2176 0.2927 ( 1892 PWs) bands (ev): -13.5541 -13.5541 -2.7997 -2.7997 -1.4130 -1.4130 -0.9345 -0.9345 -0.0811 -0.0811 8.2577 8.2577 9.9149 9.9149 11.8036 11.8036 k = 0.3482-0.2233 0.3004 ( 1888 PWs) bands (ev): -13.5435 -13.5435 -2.7937 -2.7937 -1.4305 -1.4305 -0.9494 -0.9494 -0.1607 -0.1607 8.2096 8.2096 10.0328 10.0328 11.8686 11.8686 k = 0.3571-0.2291 0.3081 ( 1890 PWs) bands (ev): -13.5333 -13.5333 -2.7849 -2.7849 -1.4471 -1.4471 -0.9636 -0.9636 -0.2412 -0.2412 8.1642 8.1642 10.1532 10.1532 11.9349 11.9349 k = 0.3661-0.2348 0.3158 ( 1894 PWs) bands (ev): -13.5235 -13.5235 -2.7736 -2.7736 -1.4628 -1.4628 -0.9772 -0.9772 -0.3221 -0.3221 8.1215 8.1215 10.2752 10.2752 12.0024 12.0024 k = 0.3750-0.2405 0.3235 ( 1890 PWs) bands (ev): -13.5143 -13.5143 -2.7598 -2.7598 -1.4775 -1.4775 -0.9901 -0.9901 -0.4028 -0.4028 8.0815 8.0815 10.3978 10.3978 12.0706 12.0706 k = 0.3839-0.2462 0.3312 ( 1894 PWs) bands (ev): -13.5055 -13.5055 -2.7438 -2.7438 -1.4911 -1.4911 -1.0023 -1.0023 -0.4828 -0.4828 8.0441 8.0441 10.5201 10.5201 12.1391 12.1391 k = 0.3929-0.2520 0.3389 ( 1902 PWs) bands (ev): -13.4973 -13.4973 -2.7258 -2.7258 -1.5037 -1.5037 -1.0138 -1.0138 -0.5616 -0.5616 8.0095 8.0095 10.6410 10.6410 12.2074 12.2074 k = 0.4018-0.2577 0.3466 ( 1902 PWs) bands (ev): -13.4896 -13.4896 -2.7061 -2.7061 -1.5151 -1.5151 -1.0244 -1.0244 -0.6384 -0.6384 7.9776 7.9776 10.7594 10.7594 12.2751 12.2751 k = 0.4107-0.2634 0.3543 ( 1910 PWs) bands (ev): -13.4825 -13.4825 -2.6851 -2.6851 -1.5252 -1.5252 -1.0344 -1.0344 -0.7127 -0.7127 7.9484 7.9484 10.8742 10.8742 12.3415 12.3415 k = 0.4196-0.2691 0.3620 ( 1908 PWs) bands (ev): -13.4760 -13.4760 -2.6632 -2.6632 -1.5341 -1.5341 -1.0436 -1.0436 -0.7838 -0.7838 7.9220 7.9220 10.9841 10.9841 12.4058 12.4058 k = 0.4286-0.2749 0.3697 ( 1908 PWs) bands (ev): -13.4701 -13.4701 -2.6409 -2.6409 -1.5416 -1.5416 -1.0521 -1.0521 -0.8509 -0.8509 7.8984 7.8984 11.0878 11.0878 12.4674 12.4674 k = 0.4375-0.2806 0.3774 ( 1912 PWs) bands (ev): -13.4649 -13.4649 -2.6187 -2.6187 -1.5477 -1.5477 -1.0602 -1.0602 -0.9132 -0.9132 7.8776 7.8776 11.1840 11.1840 12.5251 12.5251 k = 0.4464-0.2863 0.3851 ( 1912 PWs) bands (ev): -13.4603 -13.4603 -2.5972 -2.5972 -1.5525 -1.5525 -1.0683 -1.0683 -0.9691 -0.9691 7.8595 7.8595 11.2713 11.2713 12.5780 12.5780 k = 0.4554-0.2920 0.3928 ( 1916 PWs) bands (ev): -13.4565 -13.4565 -2.5773 -2.5773 -1.5560 -1.5560 -1.0782 -1.0782 -1.0161 -1.0161 7.8441 7.8441 11.3483 11.3483 12.6239 12.6239 k = 0.4643-0.2978 0.4006 ( 1912 PWs) bands (ev): -13.4533 -13.4533 -2.5595 -2.5595 -1.5583 -1.5583 -1.0947 -1.0947 -1.0483 -1.0483 7.8316 7.8316 11.4137 11.4137 12.6551 12.6551 k = 0.4732-0.3035 0.4083 ( 1912 PWs) bands (ev): -13.4508 -13.4508 -2.5447 -2.5447 -1.5595 -1.5595 -1.1195 -1.1195 -1.0631 -1.0631 7.8218 7.8218 11.4661 11.4661 12.6735 12.6735 k = 0.4821-0.3092 0.4160 ( 1912 PWs) bands (ev): -13.4490 -13.4490 -2.5335 -2.5335 -1.5601 -1.5601 -1.1424 -1.1424 -1.0694 -1.0694 7.8149 7.8149 11.5044 11.5044 12.6859 12.6859 k = 0.4911-0.3149 0.4237 ( 1920 PWs) bands (ev): -13.4479 -13.4479 -2.5266 -2.5266 -1.5603 -1.5603 -1.1576 -1.1576 -1.0723 -1.0723 7.8107 7.8107 11.5278 11.5278 12.6932 12.6932 k = 0.5000-0.3207 0.4314 ( 1920 PWs) bands (ev): -13.4476 -13.4476 -2.5242 -2.5242 -1.5603 -1.5603 -1.1628 -1.1628 -1.0731 -1.0731 7.8093 7.8093 11.5357 11.5357 12.6956 12.6956 k = 0.5000-0.3207 0.4314 ( 1920 PWs) bands (ev): -13.4476 -13.4476 -2.5242 -2.5242 -1.5603 -1.5603 -1.1628 -1.1628 -1.0731 -1.0731 7.8093 7.8093 11.5357 11.5357 12.6956 12.6956 k = 0.5000-0.3103 0.4391 ( 1920 PWs) bands (ev): -13.4476 -13.4476 -2.5236 -2.5236 -1.5751 -1.5751 -1.1555 -1.1555 -1.0649 -1.0649 7.8115 7.8115 11.5329 11.5329 12.6912 12.6912 k = 0.5000-0.2999 0.4468 ( 1916 PWs) bands (ev): -13.4477 -13.4477 -2.5216 -2.5216 -1.6140 -1.6140 -1.1444 -1.1444 -1.0348 -1.0348 7.8183 7.8183 11.5247 11.5247 12.6778 12.6778 k = 0.5000-0.2895 0.4546 ( 1916 PWs) bands (ev): -13.4479 -13.4479 -2.5185 -2.5185 -1.6671 -1.6671 -1.1412 -1.1412 -0.9810 -0.9810 7.8296 7.8296 11.5110 11.5110 12.6540 12.6540 k = 0.5000-0.2791 0.4623 ( 1916 PWs) bands (ev): -13.4482 -13.4482 -2.5142 -2.5142 -1.7271 -1.7271 -1.1452 -1.1452 -0.9118 -0.9118 7.8453 7.8453 11.4919 11.4919 12.6179 12.6179 k = 0.5000-0.2687 0.4700 ( 1912 PWs) bands (ev): -13.4485 -13.4485 -2.5087 -2.5087 -1.7897 -1.7897 -1.1535 -1.1535 -0.8339 -0.8339 7.8653 7.8653 11.4675 11.4675 12.5668 12.5668 k = 0.5000-0.2583 0.4778 ( 1904 PWs) bands (ev): -13.4489 -13.4489 -2.5022 -2.5022 -1.8526 -1.8526 -1.1651 -1.1651 -0.7509 -0.7509 7.8896 7.8896 11.4379 11.4379 12.4979 12.4979 k = 0.5000-0.2479 0.4855 ( 1902 PWs) bands (ev): -13.4495 -13.4495 -2.4950 -2.4950 -1.9143 -1.9143 -1.1794 -1.1794 -0.6646 -0.6646 7.9181 7.9181 11.4032 11.4032 12.4099 12.4099 k = 0.5000-0.2375 0.4932 ( 1906 PWs) bands (ev): -13.4501 -13.4501 -2.4871 -2.4871 -1.9738 -1.9738 -1.1959 -1.1959 -0.5764 -0.5764 7.9507 7.9507 11.3636 11.3636 12.3030 12.3030 k = 0.5000-0.2271 0.5009 ( 1906 PWs) bands (ev): -13.4507 -13.4507 -2.4791 -2.4791 -2.0302 -2.0302 -1.2146 -1.2146 -0.4869 -0.4869 7.9871 7.9871 11.3191 11.3191 12.1798 12.1798 k = 0.5000-0.2167 0.5087 ( 1906 PWs) bands (ev): -13.4515 -13.4515 -2.4715 -2.4715 -2.0825 -2.0825 -1.2353 -1.2353 -0.3969 -0.3969 8.0274 8.0274 11.2700 11.2700 12.0441 12.0441 k = 0.5000-0.2063 0.5164 ( 1904 PWs) bands (ev): -13.4524 -13.4524 -2.4652 -2.4652 -2.1297 -2.1297 -1.2578 -1.2578 -0.3069 -0.3069 8.0713 8.0713 11.2164 11.2164 11.8999 11.8999 k = 0.5000-0.1959 0.5241 ( 1904 PWs) bands (ev): -13.4533 -13.4533 -2.4616 -2.4616 -2.1701 -2.1701 -1.2819 -1.2819 -0.2174 -0.2174 8.1186 8.1186 11.1586 11.1586 11.7509 11.7509 k = 0.5000-0.1855 0.5319 ( 1900 PWs) bands (ev): -13.4544 -13.4544 -2.4626 -2.4626 -2.2019 -2.2019 -1.3075 -1.3075 -0.1288 -0.1288 8.1693 8.1693 11.0967 11.0967 11.6001 11.6001 k = 0.5000-0.1751 0.5396 ( 1902 PWs) bands (ev): -13.4555 -13.4555 -2.4698 -2.4698 -2.2232 -2.2232 -1.3344 -1.3344 -0.0416 -0.0416 8.2230 8.2230 11.0310 11.0310 11.4498 11.4498 k = 0.5000-0.1647 0.5473 ( 1910 PWs) bands (ev): -13.4567 -13.4567 -2.4840 -2.4840 -2.2332 -2.2332 -1.3626 -1.3626 0.0436 0.0436 8.2796 8.2796 10.9616 10.9616 11.3023 11.3023 k = 0.5000-0.1543 0.5551 ( 1910 PWs) bands (ev): -13.4581 -13.4581 -2.5040 -2.5040 -2.2330 -2.2330 -1.3918 -1.3918 0.1266 0.1266 8.3391 8.3391 10.8888 10.8888 11.1590 11.1590 k = 0.5000-0.1439 0.5628 ( 1914 PWs) bands (ev): -13.4595 -13.4595 -2.5275 -2.5275 -2.2251 -2.2251 -1.4219 -1.4219 0.2066 0.2066 8.4010 8.4010 10.8127 10.8127 11.0213 11.0213 k = 0.5000-0.1335 0.5705 ( 1914 PWs) bands (ev): -13.4610 -13.4610 -2.5524 -2.5524 -2.2115 -2.2115 -1.4526 -1.4526 0.2834 0.2834 8.4653 8.4653 10.7335 10.7335 10.8905 10.8905 k = 0.5000-0.1231 0.5783 ( 1910 PWs) bands (ev): -13.4626 -13.4626 -2.5769 -2.5769 -2.1940 -2.1940 -1.4838 -1.4838 0.3563 0.3563 8.5318 8.5318 10.6514 10.6514 10.7675 10.7675 k = 0.5000-0.1127 0.5860 ( 1906 PWs) bands (ev): -13.4644 -13.4644 -2.6000 -2.6000 -2.1737 -2.1737 -1.5153 -1.5153 0.4249 0.4249 8.6002 8.6002 10.5669 10.5669 10.6532 10.6532 k = 0.5000-0.1023 0.5937 ( 1910 PWs) bands (ev): -13.4662 -13.4662 -2.6211 -2.6211 -2.1515 -2.1515 -1.5468 -1.5468 0.4886 0.4886 8.6704 8.6704 10.4806 10.4806 10.5476 10.5476 k = 0.5000-0.0919 0.6015 ( 1914 PWs) bands (ev): -13.4681 -13.4681 -2.6396 -2.6396 -2.1280 -2.1280 -1.5779 -1.5779 0.5470 0.5470 8.7422 8.7422 10.3940 10.3940 10.4504 10.4504 k = 0.5000-0.0815 0.6092 ( 1918 PWs) bands (ev): -13.4701 -13.4701 -2.6554 -2.6554 -2.1039 -2.1039 -1.6084 -1.6084 0.5996 0.5996 8.8153 8.8153 10.3080 10.3080 10.3616 10.3616 k = 0.5000-0.0711 0.6169 ( 1920 PWs) bands (ev): -13.4722 -13.4722 -2.6681 -2.6681 -2.0797 -2.0797 -1.6377 -1.6377 0.6459 0.6459 8.8897 8.8897 10.2216 10.2216 10.2831 10.2831 k = 0.5000-0.0607 0.6247 ( 1920 PWs) bands (ev): -13.4744 -13.4744 -2.6776 -2.6776 -2.0562 -2.0562 -1.6650 -1.6650 0.6856 0.6856 8.9650 8.9650 10.1331 10.1331 10.2174 10.2174 k = 0.5000-0.0607 0.6247 ( 1920 PWs) bands (ev): -13.4744 -13.4744 -2.6776 -2.6776 -2.0562 -2.0562 -1.6650 -1.6650 0.6856 0.6856 8.9650 8.9650 10.1331 10.1331 10.2174 10.2174 k = 0.4937-0.0492 0.6247 ( 1922 PWs) bands (ev): -13.4760 -13.4760 -2.6857 -2.6857 -2.0372 -2.0372 -1.6817 -1.6817 0.7099 0.7099 9.0186 9.0186 10.0365 10.0365 10.2104 10.2104 k = 0.4873-0.0378 0.6247 ( 1922 PWs) bands (ev): -13.4779 -13.4779 -2.6982 -2.6982 -2.0143 -2.0143 -1.6939 -1.6939 0.7314 0.7314 9.0723 9.0723 9.9199 9.9199 10.2269 10.2269 k = 0.4810-0.0264 0.6247 ( 1920 PWs) bands (ev): -13.4799 -13.4799 -2.7141 -2.7141 -1.9903 -1.9903 -1.6997 -1.6997 0.7499 0.7499 9.1258 9.1258 9.8015 9.8015 10.2499 10.2499 k = 0.4747-0.0150 0.6247 ( 1922 PWs) bands (ev): -13.4820 -13.4820 -2.7324 -2.7324 -1.9691 -1.9691 -1.6965 -1.6965 0.7654 0.7654 9.1784 9.1784 9.6845 9.6845 10.2777 10.2777 k = 0.4683-0.0036 0.6247 ( 1918 PWs) bands (ev): -13.4842 -13.4842 -2.7523 -2.7523 -1.9541 -1.9541 -1.6816 -1.6816 0.7776 0.7776 9.2292 9.2292 9.5707 9.5707 10.3099 10.3099 k = 0.4620 0.0078 0.6247 ( 1916 PWs) bands (ev): -13.4865 -13.4865 -2.7730 -2.7730 -1.9469 -1.9469 -1.6545 -1.6545 0.7864 0.7864 9.2750 9.2750 9.4640 9.4640 10.3463 10.3463 k = 0.4557 0.0192 0.6247 ( 1917 PWs) bands (ev): -13.4888 -13.4888 -2.7940 -2.7940 -1.9469 -1.9469 -1.6167 -1.6167 0.7918 0.7918 9.2917 9.2917 9.3890 9.3890 10.3871 10.3871 k = 0.4493 0.0306 0.6247 ( 1917 PWs) bands (ev): -13.4911 -13.4911 -2.8149 -2.8149 -1.9519 -1.9519 -1.5708 -1.5708 0.7938 0.7938 9.2218 9.2218 9.4032 9.4032 10.4322 10.4322 k = 0.4430 0.0421 0.6247 ( 1916 PWs) bands (ev): -13.4934 -13.4934 -2.8353 -2.8353 -1.9600 -1.9600 -1.5195 -1.5195 0.7925 0.7925 9.1281 9.1281 9.4444 9.4444 10.4816 10.4816 k = 0.4367 0.0535 0.6247 ( 1914 PWs) bands (ev): -13.4956 -13.4956 -2.8549 -2.8549 -1.9698 -1.9698 -1.4648 -1.4648 0.7879 0.7879 9.0356 9.0356 9.4877 9.4877 10.5354 10.5354 k = 0.4303 0.0649 0.6247 ( 1912 PWs) bands (ev): -13.4977 -13.4977 -2.8735 -2.8735 -1.9803 -1.9803 -1.4084 -1.4084 0.7802 0.7802 8.9477 8.9477 9.5297 9.5297 10.5932 10.5932 k = 0.4240 0.0763 0.6247 ( 1916 PWs) bands (ev): -13.4998 -13.4998 -2.8909 -2.8909 -1.9909 -1.9909 -1.3513 -1.3513 0.7697 0.7697 8.8654 8.8654 9.5697 9.5697 10.6550 10.6550 k = 0.4177 0.0877 0.6247 ( 1916 PWs) bands (ev): -13.5017 -13.5017 -2.9070 -2.9070 -2.0012 -2.0012 -1.2947 -1.2947 0.7568 0.7568 8.7893 8.7893 9.6069 9.6069 10.7204 10.7204 k = 0.4113 0.0991 0.6247 ( 1916 PWs) bands (ev): -13.5035 -13.5035 -2.9217 -2.9217 -2.0110 -2.0110 -1.2395 -1.2395 0.7417 0.7417 8.7197 8.7197 9.6412 9.6412 10.7890 10.7890 k = 0.4050 0.1105 0.6247 ( 1915 PWs) bands (ev): -13.5052 -13.5052 -2.9349 -2.9349 -2.0201 -2.0201 -1.1866 -1.1866 0.7251 0.7251 8.6570 8.6570 9.6723 9.6723 10.8600 10.8600 k = 0.3987 0.1220 0.6247 ( 1915 PWs) bands (ev): -13.5066 -13.5066 -2.9464 -2.9464 -2.0283 -2.0283 -1.1370 -1.1370 0.7075 0.7075 8.6014 8.6014 9.6999 9.6999 10.9326 10.9326 k = 0.3923 0.1334 0.6247 ( 1916 PWs) bands (ev): -13.5079 -13.5079 -2.9563 -2.9563 -2.0355 -2.0355 -1.0915 -1.0915 0.6896 0.6896 8.5531 8.5531 9.7238 9.7238 11.0053 11.0053 k = 0.3860 0.1448 0.6247 ( 1922 PWs) bands (ev): -13.5090 -13.5090 -2.9645 -2.9645 -2.0417 -2.0417 -1.0511 -1.0511 0.6720 0.6720 8.5122 8.5122 9.7438 9.7438 11.0761 11.0761 k = 0.3796 0.1562 0.6247 ( 1926 PWs) bands (ev): -13.5098 -13.5098 -2.9709 -2.9709 -2.0468 -2.0468 -1.0166 -1.0166 0.6555 0.6555 8.4789 8.4789 9.7598 9.7598 11.1420 11.1420 k = 0.3733 0.1676 0.6247 ( 1924 PWs) bands (ev): -13.5104 -13.5104 -2.9756 -2.9756 -2.0507 -2.0507 -0.9890 -0.9890 0.6409 0.6409 8.4531 8.4531 9.7717 9.7717 11.1991 11.1991 k = 0.3670 0.1790 0.6247 ( 1918 PWs) bands (ev): -13.5108 -13.5108 -2.9784 -2.9784 -2.0535 -2.0535 -0.9690 -0.9690 0.6288 0.6288 8.4352 8.4352 9.7794 9.7794 11.2421 11.2421 k = 0.3606 0.1904 0.6247 ( 1923 PWs) bands (ev): -13.5109 -13.5109 -2.9794 -2.9794 -2.0551 -2.0551 -0.9571 -0.9571 0.6197 0.6197 8.4250 8.4250 9.7828 9.7828 11.2655 11.2655 k = 0.3543 0.2018 0.6247 ( 1923 PWs) bands (ev): -13.5108 -13.5108 -2.9786 -2.9786 -2.0555 -2.0555 -0.9538 -0.9538 0.6141 0.6141 8.4226 8.4226 9.7819 9.7819 11.2656 11.2656 k = 0.3480 0.2133 0.6247 ( 1923 PWs) bands (ev): -13.5105 -13.5105 -2.9759 -2.9759 -2.0548 -2.0548 -0.9592 -0.9592 0.6119 0.6119 8.4280 8.4280 9.7766 9.7766 11.2427 11.2427 k = 0.3416 0.2247 0.6247 ( 1921 PWs) bands (ev): -13.5099 -13.5099 -2.9714 -2.9714 -2.0528 -2.0528 -0.9731 -0.9731 0.6131 0.6131 8.4413 8.4413 9.7670 9.7670 11.2007 11.2007 k = 0.3353 0.2361 0.6247 ( 1917 PWs) bands (ev): -13.5091 -13.5091 -2.9650 -2.9650 -2.0497 -2.0497 -0.9952 -0.9952 0.6174 0.6174 8.4625 8.4625 9.7531 9.7531 11.1452 11.1452 k = 0.3290 0.2475 0.6247 ( 1919 PWs) bands (ev): -13.5080 -13.5080 -2.9568 -2.9568 -2.0454 -2.0454 -1.0250 -1.0250 0.6242 0.6242 8.4914 8.4914 9.7350 9.7350 11.0812 11.0812 k = 0.3226 0.2589 0.6247 ( 1917 PWs) bands (ev): -13.5067 -13.5067 -2.9468 -2.9468 -2.0400 -2.0400 -1.0615 -1.0615 0.6328 0.6328 8.5281 8.5281 9.7128 9.7128 11.0128 11.0128 k = 0.3163 0.2703 0.6247 ( 1915 PWs) bands (ev): -13.5052 -13.5052 -2.9350 -2.9350 -2.0336 -2.0336 -1.1040 -1.1040 0.6425 0.6425 8.5724 8.5724 9.6867 9.6867 10.9428 10.9428 k = 0.3100 0.2817 0.6247 ( 1911 PWs) bands (ev): -13.5035 -13.5035 -2.9214 -2.9214 -2.0261 -2.0261 -1.1515 -1.1515 0.6526 0.6526 8.6243 8.6243 9.6568 9.6568 10.8732 10.8732 k = 0.3036 0.2932 0.6247 ( 1911 PWs) bands (ev): -13.5016 -13.5016 -2.9061 -2.9061 -2.0177 -2.0177 -1.2032 -1.2032 0.6623 0.6623 8.6836 8.6836 9.6233 9.6233 10.8053 10.8053 k = 0.2973 0.3046 0.6247 ( 1909 PWs) bands (ev): -13.4996 -13.4996 -2.8892 -2.8892 -2.0085 -2.0085 -1.2580 -1.2580 0.6710 0.6710 8.7502 8.7502 9.5863 9.5863 10.7401 10.7401 k = 0.2910 0.3160 0.6247 ( 1911 PWs) bands (ev): -13.4974 -13.4974 -2.8706 -2.8706 -1.9986 -1.9986 -1.3152 -1.3152 0.6781 0.6781 8.8237 8.8237 9.5462 9.5462 10.6781 10.6781 k = 0.2846 0.3274 0.6247 ( 1915 PWs) bands (ev): -13.4950 -13.4950 -2.8505 -2.8505 -1.9883 -1.9883 -1.3737 -1.3737 0.6832 0.6832 8.9039 8.9039 9.5033 9.5033 10.6199 10.6199 k = 0.2783 0.3388 0.6247 ( 1917 PWs) bands (ev): -13.4926 -13.4926 -2.8289 -2.8289 -1.9778 -1.9778 -1.4326 -1.4326 0.6859 0.6859 8.9903 8.9903 9.4581 9.4581 10.5658 10.5658 k = 0.2720 0.3502 0.6247 ( 1919 PWs) bands (ev): -13.4900 -13.4900 -2.8060 -2.8060 -1.9677 -1.9677 -1.4907 -1.4907 0.6859 0.6859 9.0820 9.0820 9.4112 9.4112 10.5160 10.5160 k = 0.2656 0.3616 0.6247 ( 1921 PWs) bands (ev): -13.4874 -13.4874 -2.7820 -2.7820 -1.9588 -1.9588 -1.5467 -1.5467 0.6829 0.6829 9.1767 9.1767 9.3652 9.3652 10.4706 10.4706 k = 0.2593 0.3731 0.6247 ( 1917 PWs) bands (ev): -13.4848 -13.4848 -2.7570 -2.7570 -1.9523 -1.9523 -1.5987 -1.5987 0.6768 0.6768 9.2537 9.2537 9.3405 9.3405 10.4297 10.4297 k = 0.2530 0.3845 0.6247 ( 1915 PWs) bands (ev): -13.4821 -13.4821 -2.7313 -2.7313 -1.9501 -1.9501 -1.6443 -1.6443 0.6676 0.6676 9.2367 9.2367 9.4130 9.4130 10.3934 10.3934 k = 0.2466 0.3959 0.6247 ( 1917 PWs) bands (ev): -13.4794 -13.4794 -2.7053 -2.7053 -1.9548 -1.9548 -1.6801 -1.6801 0.6553 0.6553 9.1869 9.1869 9.5215 9.5215 10.3615 10.3615 k = 0.2403 0.4073 0.6247 ( 1909 PWs) bands (ev): -13.4768 -13.4768 -2.6794 -2.6794 -1.9686 -1.9686 -1.7034 -1.7034 0.6398 0.6398 9.1325 9.1325 9.6373 9.6373 10.3343 10.3343 k = 0.2340 0.4187 0.6247 ( 1911 PWs) bands (ev): -13.4743 -13.4743 -2.6543 -2.6543 -1.9913 -1.9913 -1.7135 -1.7135 0.6212 0.6212 9.0764 9.0764 9.7568 9.7568 10.3117 10.3117 k = 0.2276 0.4301 0.6247 ( 1913 PWs) bands (ev): -13.4719 -13.4719 -2.6309 -2.6309 -2.0196 -2.0196 -1.7124 -1.7124 0.5997 0.5997 9.0195 9.0195 9.8783 9.8783 10.2941 10.2941 k = 0.2213 0.4415 0.6247 ( 1910 PWs) bands (ev): -13.4696 -13.4696 -2.6104 -2.6104 -2.0492 -2.0492 -1.7034 -1.7034 0.5756 0.5756 8.9625 8.9625 9.9996 9.9996 10.2827 10.2827 k = 0.2150 0.4529 0.6247 ( 1908 PWs) bands (ev): -13.4674 -13.4674 -2.5943 -2.5943 -2.0758 -2.0758 -1.6890 -1.6890 0.5488 0.5488 8.9055 8.9055 10.1143 10.1143 10.2824 10.2824 k = 0.2086 0.4644 0.6247 ( 1910 PWs) bands (ev): -13.4654 -13.4654 -2.5844 -2.5844 -2.0960 -2.0960 -1.6709 -1.6709 0.5198 0.5198 8.8490 8.8490 10.1961 10.1961 10.3186 10.3186 k = 0.2086 0.4644 0.6247 ( 1910 PWs) bands (ev): -13.4654 -13.4654 -2.5844 -2.5844 -2.0960 -2.0960 -1.6709 -1.6709 0.5198 0.5198 8.8490 8.8490 10.1961 10.1961 10.3186 10.3186 k = 0.1999 0.4699 0.6172 ( 1908 PWs) bands (ev): -13.4629 -13.4629 -2.5744 -2.5744 -2.1180 -2.1180 -1.6433 -1.6433 0.4754 0.4754 8.7726 8.7726 10.2689 10.2689 10.4143 10.4143 k = 0.1912 0.4755 0.6097 ( 1906 PWs) bands (ev): -13.4605 -13.4605 -2.5619 -2.5619 -2.1396 -2.1396 -1.6145 -1.6145 0.4254 0.4254 8.6973 8.6973 10.3521 10.3521 10.5089 10.5089 k = 0.1825 0.4811 0.6022 ( 1904 PWs) bands (ev): -13.4582 -13.4582 -2.5471 -2.5471 -2.1603 -2.1603 -1.5851 -1.5851 0.3701 0.3701 8.6235 8.6235 10.4451 10.4451 10.6021 10.6021 k = 0.1739 0.4867 0.5947 ( 1904 PWs) bands (ev): -13.4559 -13.4559 -2.5305 -2.5305 -2.1791 -2.1791 -1.5554 -1.5554 0.3099 0.3099 8.5513 8.5513 10.5471 10.5471 10.6939 10.6939 k = 0.1652 0.4922 0.5872 ( 1902 PWs) bands (ev): -13.4538 -13.4538 -2.5128 -2.5128 -2.1953 -2.1953 -1.5256 -1.5256 0.2453 0.2453 8.4810 8.4810 10.6570 10.6570 10.7845 10.7845 k = 0.1565 0.4978 0.5797 ( 1902 PWs) bands (ev): -13.4518 -13.4518 -2.4949 -2.4949 -2.2078 -2.2078 -1.4961 -1.4961 0.1767 0.1767 8.4127 8.4127 10.7727 10.7727 10.8749 10.8749 k = 0.1478 0.5034 0.5722 ( 1906 PWs) bands (ev): -13.4498 -13.4498 -2.4784 -2.4784 -2.2149 -2.2149 -1.4671 -1.4671 0.1047 0.1047 8.3467 8.3467 10.8893 10.8893 10.9691 10.9691 k = 0.1391 0.5090 0.5647 ( 1906 PWs) bands (ev): -13.4480 -13.4480 -2.4649 -2.4649 -2.2150 -2.2150 -1.4386 -1.4386 0.0296 0.0296 8.2832 8.2832 10.9953 10.9953 11.0777 11.0777 k = 0.1304 0.5145 0.5572 ( 1910 PWs) bands (ev): -13.4463 -13.4463 -2.4559 -2.4559 -2.2065 -2.2065 -1.4110 -1.4110 -0.0482 -0.0482 8.2222 8.2222 11.0841 11.0841 11.2058 11.2058 k = 0.1217 0.5201 0.5497 ( 1914 PWs) bands (ev): -13.4447 -13.4447 -2.4524 -2.4524 -2.1885 -2.1885 -1.3843 -1.3843 -0.1280 -0.1280 8.1642 8.1642 11.1623 11.1623 11.3456 11.3456 k = 0.1130 0.5257 0.5422 ( 1916 PWs) bands (ev): -13.4432 -13.4432 -2.4536 -2.4536 -2.1617 -2.1617 -1.3587 -1.3587 -0.2096 -0.2096 8.1092 8.1092 11.2340 11.2340 11.4917 11.4917 k = 0.1043 0.5313 0.5347 ( 1920 PWs) bands (ev): -13.4418 -13.4418 -2.4584 -2.4584 -2.1273 -2.1273 -1.3344 -1.3344 -0.2925 -0.2925 8.0573 8.0573 11.3006 11.3006 11.6410 11.6410 k = 0.0956 0.5368 0.5272 ( 1912 PWs) bands (ev): -13.4406 -13.4406 -2.4654 -2.4654 -2.0868 -2.0868 -1.3114 -1.3114 -0.3763 -0.3763 8.0089 8.0089 11.3623 11.3623 11.7915 11.7915 k = 0.0869 0.5424 0.5197 ( 1912 PWs) bands (ev): -13.4394 -13.4394 -2.4736 -2.4736 -2.0413 -2.0413 -1.2900 -1.2900 -0.4605 -0.4605 7.9641 7.9641 11.4193 11.4193 11.9404 11.9404 k = 0.0782 0.5480 0.5122 ( 1920 PWs) bands (ev): -13.4384 -13.4384 -2.4822 -2.4822 -1.9918 -1.9918 -1.2702 -1.2702 -0.5447 -0.5447 7.9229 7.9229 11.4713 11.4713 12.0852 12.0852 k = 0.0695 0.5536 0.5047 ( 1920 PWs) bands (ev): -13.4374 -13.4374 -2.4907 -2.4907 -1.9391 -1.9391 -1.2522 -1.2522 -0.6284 -0.6284 7.8857 7.8857 11.5183 11.5183 12.2226 12.2226 k = 0.0608 0.5591 0.4972 ( 1916 PWs) bands (ev): -13.4366 -13.4366 -2.4987 -2.4987 -1.8838 -1.8838 -1.2359 -1.2359 -0.7110 -0.7110 7.8526 7.8526 11.5601 11.5601 12.3490 12.3490 k = 0.0522 0.5647 0.4897 ( 1912 PWs) bands (ev): -13.4359 -13.4359 -2.5059 -2.5059 -1.8267 -1.8267 -1.2216 -1.2216 -0.7919 -0.7919 7.8236 7.8236 11.5966 11.5966 12.4605 12.4605 k = 0.0435 0.5703 0.4822 ( 1912 PWs) bands (ev): -13.4353 -13.4353 -2.5123 -2.5123 -1.7688 -1.7688 -1.2092 -1.2092 -0.8701 -0.8701 7.7988 7.7988 11.6278 11.6278 12.5540 12.5540 k = 0.0348 0.5759 0.4747 ( 1908 PWs) bands (ev): -13.4348 -13.4348 -2.5176 -2.5176 -1.7115 -1.7115 -1.1988 -1.1988 -0.9443 -0.9443 7.7785 7.7785 11.6534 11.6534 12.6280 12.6280 k = 0.0261 0.5814 0.4672 ( 1906 PWs) bands (ev): -13.4344 -13.4344 -2.5219 -2.5219 -1.6571 -1.6571 -1.1903 -1.1903 -1.0123 -1.0123 7.7625 7.7625 11.6733 11.6733 12.6828 12.6828 k = 0.0174 0.5870 0.4597 ( 1900 PWs) bands (ev): -13.4342 -13.4342 -2.5249 -2.5249 -1.6094 -1.6094 -1.1833 -1.1833 -1.0704 -1.0704 7.7511 7.7511 11.6877 11.6877 12.7200 12.7200 k = 0.0087 0.5926 0.4522 ( 1900 PWs) bands (ev): -13.4340 -13.4340 -2.5268 -2.5268 -1.5751 -1.5751 -1.1775 -1.1775 -1.1127 -1.1127 7.7442 7.7442 11.6963 11.6963 12.7418 12.7418 k = 0.0000 0.5982 0.4447 ( 1900 PWs) bands (ev): -13.4339 -13.4339 -2.5274 -2.5274 -1.5622 -1.5622 -1.1742 -1.1742 -1.1296 -1.1296 7.7419 7.7419 11.6992 11.6992 12.7493 12.7493 k = 0.0000 0.5982 0.4447 ( 1900 PWs) bands (ev): -13.4339 -13.4339 -2.5274 -2.5274 -1.5622 -1.5622 -1.1742 -1.1742 -1.1296 -1.1296 7.7419 7.7419 11.6992 11.6992 12.7493 12.7493 k = 0.0000 0.5877 0.4369 ( 1904 PWs) bands (ev): -13.4343 -13.4343 -2.5302 -2.5302 -1.5623 -1.5623 -1.1688 -1.1688 -1.1283 -1.1283 7.7433 7.7433 11.6912 11.6912 12.7466 12.7466 k = 0.0000 0.5772 0.4291 ( 1904 PWs) bands (ev): -13.4353 -13.4353 -2.5386 -2.5386 -1.5625 -1.5625 -1.1544 -1.1544 -1.1228 -1.1228 7.7475 7.7475 11.6674 11.6674 12.7382 12.7382 k = 0.0000 0.5667 0.4213 ( 1904 PWs) bands (ev): -13.4371 -13.4371 -2.5520 -2.5520 -1.5623 -1.5623 -1.1394 -1.1394 -1.1056 -1.1056 7.7545 7.7545 11.6284 11.6284 12.7190 12.7190 k = 0.0000 0.5562 0.4135 ( 1896 PWs) bands (ev): -13.4395 -13.4395 -2.5698 -2.5698 -1.5614 -1.5614 -1.1310 -1.1310 -1.0707 -1.0707 7.7642 7.7642 11.5752 11.5752 12.6861 12.6861 k = 0.0000 0.5457 0.4057 ( 1896 PWs) bands (ev): -13.4427 -13.4427 -2.5910 -2.5910 -1.5595 -1.5595 -1.1248 -1.1248 -1.0237 -1.0237 7.7768 7.7768 11.5089 11.5089 12.6441 12.6441 k = 0.0000 0.5352 0.3979 ( 1896 PWs) bands (ev): -13.4465 -13.4465 -2.6149 -2.6149 -1.5563 -1.5563 -1.1186 -1.1186 -0.9682 -0.9682 7.7921 7.7921 11.4308 11.4308 12.5948 12.5948 k = 0.0000 0.5247 0.3901 ( 1896 PWs) bands (ev): -13.4510 -13.4510 -2.6406 -2.6406 -1.5517 -1.5517 -1.1117 -1.1117 -0.9059 -0.9059 7.8103 7.8103 11.3423 11.3423 12.5395 12.5395 k = 0.0000 0.5142 0.3823 ( 1902 PWs) bands (ev): -13.4561 -13.4561 -2.6671 -2.6671 -1.5457 -1.5457 -1.1039 -1.1039 -0.8379 -0.8379 7.8311 7.8311 11.2449 11.2449 12.4793 12.4793 k = 0.0000 0.5037 0.3745 ( 1902 PWs) bands (ev): -13.4619 -13.4619 -2.6939 -2.6939 -1.5383 -1.5383 -1.0954 -1.0954 -0.7653 -0.7653 7.8548 7.8548 11.1397 11.1397 12.4152 12.4152 k = 0.0000 0.4932 0.3667 ( 1906 PWs) bands (ev): -13.4683 -13.4683 -2.7204 -2.7204 -1.5295 -1.5295 -1.0859 -1.0859 -0.6887 -0.6887 7.8812 7.8812 11.0283 11.0283 12.3481 12.3481 k = 0.0000 0.4827 0.3589 ( 1906 PWs) bands (ev): -13.4753 -13.4753 -2.7459 -2.7459 -1.5194 -1.5194 -1.0756 -1.0756 -0.6090 -0.6090 7.9104 7.9104 10.9119 10.9119 12.2790 12.2790 k = 0.0000 0.4722 0.3511 ( 1904 PWs) bands (ev): -13.4829 -13.4829 -2.7700 -2.7700 -1.5080 -1.5080 -1.0644 -1.0644 -0.5269 -0.5269 7.9424 7.9424 10.7916 10.7916 12.2084 12.2084 k = 0.0000 0.4617 0.3433 ( 1904 PWs) bands (ev): -13.4910 -13.4910 -2.7924 -2.7924 -1.4954 -1.4954 -1.0523 -1.0523 -0.4429 -0.4429 7.9771 7.9771 10.6686 10.6686 12.1371 12.1371 k = 0.0000 0.4512 0.3355 ( 1906 PWs) bands (ev): -13.4997 -13.4997 -2.8127 -2.8127 -1.4818 -1.4818 -1.0394 -1.0394 -0.3576 -0.3576 8.0145 8.0145 10.5441 10.5441 12.0656 12.0656 k = 0.0000 0.4407 0.3276 ( 1910 PWs) bands (ev): -13.5088 -13.5088 -2.8308 -2.8308 -1.4670 -1.4670 -1.0258 -1.0258 -0.2716 -0.2716 8.0546 8.0546 10.4189 10.4189 11.9943 11.9943 k = 0.0000 0.4303 0.3198 ( 1908 PWs) bands (ev): -13.5185 -13.5185 -2.8463 -2.8463 -1.4513 -1.4513 -1.0113 -1.0113 -0.1856 -0.1856 8.0975 8.0975 10.2942 10.2942 11.9238 11.9238 k = 0.0000 0.4198 0.3120 ( 1916 PWs) bands (ev): -13.5286 -13.5286 -2.8591 -2.8591 -1.4346 -1.4346 -0.9961 -0.9961 -0.0999 -0.0999 8.1430 8.1430 10.1709 10.1709 11.8542 11.8542 k = 0.0000 0.4093 0.3042 ( 1916 PWs) bands (ev): -13.5392 -13.5392 -2.8690 -2.8690 -1.4170 -1.4170 -0.9802 -0.9802 -0.0152 -0.0152 8.1913 8.1913 10.0498 10.0498 11.7861 11.7861 k = 0.0000 0.3988 0.2964 ( 1912 PWs) bands (ev): -13.5501 -13.5501 -2.8760 -2.8760 -1.3987 -1.3987 -0.9637 -0.9637 0.0680 0.0680 8.2423 8.2423 9.9318 9.9318 11.7195 11.7195 k = 0.0000 0.3883 0.2886 ( 1912 PWs) bands (ev): -13.5613 -13.5613 -2.8799 -2.8799 -1.3795 -1.3795 -0.9465 -0.9465 0.1490 0.1490 8.2958 8.2958 9.8177 9.8177 11.6548 11.6548 k = 0.0000 0.3778 0.2808 ( 1912 PWs) bands (ev): -13.5729 -13.5729 -2.8806 -2.8806 -1.3597 -1.3597 -0.9287 -0.9287 0.2274 0.2274 8.3521 8.3521 9.7084 9.7084 11.5922 11.5922 k = 0.0000 0.3673 0.2730 ( 1912 PWs) bands (ev): -13.5848 -13.5848 -2.8781 -2.8781 -1.3392 -1.3392 -0.9104 -0.9104 0.3025 0.3025 8.4109 8.4109 9.6045 9.6045 11.5318 11.5318 k = 0.0000 0.3568 0.2652 ( 1908 PWs) bands (ev): -13.5969 -13.5969 -2.8724 -2.8724 -1.3182 -1.3182 -0.8916 -0.8916 0.3738 0.3738 8.4723 8.4723 9.5068 9.5068 11.4739 11.4739 k = 0.0000 0.3463 0.2574 ( 1908 PWs) bands (ev): -13.6093 -13.6093 -2.8634 -2.8634 -1.2967 -1.2967 -0.8723 -0.8723 0.4406 0.4406 8.5363 8.5363 9.4159 9.4159 11.4184 11.4184 k = 0.0000 0.3358 0.2496 ( 1904 PWs) bands (ev): -13.6218 -13.6218 -2.8510 -2.8510 -1.2747 -1.2747 -0.8526 -0.8526 0.5025 0.5025 8.6028 8.6028 9.3325 9.3325 11.3657 11.3657 k = 0.0000 0.3253 0.2418 ( 1908 PWs) bands (ev): -13.6344 -13.6344 -2.8354 -2.8354 -1.2524 -1.2524 -0.8326 -0.8326 0.5589 0.5589 8.6718 8.6718 9.2570 9.2570 11.3156 11.3156 k = 0.0000 0.3148 0.2340 ( 1906 PWs) bands (ev): -13.6472 -13.6472 -2.8163 -2.8163 -1.2298 -1.2298 -0.8122 -0.8122 0.6091 0.6091 8.7433 8.7433 9.1900 9.1900 11.2684 11.2684 k = 0.0000 0.3043 0.2262 ( 1908 PWs) bands (ev): -13.6600 -13.6600 -2.7940 -2.7940 -1.2070 -1.2070 -0.7917 -0.7917 0.6528 0.6528 8.8171 8.8171 9.1318 9.1318 11.2242 11.2242 k = 0.0000 0.2938 0.2184 ( 1904 PWs) bands (ev): -13.6728 -13.6728 -2.7683 -2.7683 -1.1840 -1.1840 -0.7709 -0.7709 0.6895 0.6895 8.8934 8.8934 9.0827 9.0827 11.1828 11.1828 k = 0.0000 0.2833 0.2106 ( 1900 PWs) bands (ev): -13.6856 -13.6856 -2.7394 -2.7394 -1.1609 -1.1609 -0.7500 -0.7500 0.7189 0.7189 8.9720 8.9720 9.0428 9.0428 11.1445 11.1445 k = 0.0000 0.2728 0.2028 ( 1906 PWs) bands (ev): -13.6983 -13.6983 -2.7072 -2.7072 -1.1379 -1.1379 -0.7290 -0.7290 0.7406 0.7406 9.0121 9.0121 9.0528 9.0528 11.1092 11.1092 k = 0.0000 0.2624 0.1950 ( 1906 PWs) bands (ev): -13.7109 -13.7109 -2.6717 -2.6717 -1.1150 -1.1150 -0.7080 -0.7080 0.7545 0.7545 8.9905 8.9905 9.1357 9.1357 11.0770 11.0770 k = 0.0000 0.2519 0.1872 ( 1906 PWs) bands (ev): -13.7234 -13.7234 -2.6331 -2.6331 -1.0922 -1.0922 -0.6870 -0.6870 0.7603 0.7603 8.9776 8.9776 9.2208 9.2208 11.0479 11.0479 k = 0.0000 0.2414 0.1794 ( 1910 PWs) bands (ev): -13.7357 -13.7357 -2.5913 -2.5913 -1.0698 -1.0698 -0.6662 -0.6662 0.7581 0.7581 8.9730 8.9730 9.3079 9.3079 11.0219 11.0219 k = 0.0000 0.2309 0.1716 ( 1910 PWs) bands (ev): -13.7478 -13.7478 -2.5464 -2.5464 -1.0476 -1.0476 -0.6456 -0.6456 0.7480 0.7480 8.9760 8.9760 9.3969 9.3969 10.9990 10.9990 k = 0.0000 0.2204 0.1638 ( 1910 PWs) bands (ev): -13.7596 -13.7596 -2.4984 -2.4984 -1.0259 -1.0259 -0.6252 -0.6252 0.7300 0.7300 8.9859 8.9859 9.4876 9.4876 10.9790 10.9790 k = 0.0000 0.2099 0.1560 ( 1908 PWs) bands (ev): -13.7712 -13.7712 -2.4475 -2.4475 -1.0047 -1.0047 -0.6051 -0.6051 0.7045 0.7045 9.0015 9.0015 9.5800 9.5800 10.9620 10.9620 k = 0.0000 0.1994 0.1482 ( 1908 PWs) bands (ev): -13.7824 -13.7824 -2.3936 -2.3936 -0.9841 -0.9841 -0.5854 -0.5854 0.6716 0.6716 9.0220 9.0220 9.6739 9.6739 10.9476 10.9476 k = 0.0000 0.1889 0.1404 ( 1912 PWs) bands (ev): -13.7932 -13.7932 -2.3370 -2.3370 -0.9642 -0.9642 -0.5661 -0.5661 0.6319 0.6319 9.0460 9.0460 9.7690 9.7690 10.9348 10.9348 k = 0.0000 0.1784 0.1326 ( 1908 PWs) bands (ev): -13.8037 -13.8037 -2.2776 -2.2776 -0.9451 -0.9451 -0.5474 -0.5474 0.5858 0.5858 9.0724 9.0724 9.8652 9.8652 10.9144 10.9144 k = 0.0000 0.1679 0.1248 ( 1908 PWs) bands (ev): -13.8138 -13.8138 -2.2155 -2.2155 -0.9269 -0.9269 -0.5293 -0.5293 0.5338 0.5338 9.1001 9.1001 9.9622 9.9622 10.8707 10.8707 k = 0.0000 0.1574 0.1170 ( 1912 PWs) bands (ev): -13.8234 -13.8234 -2.1509 -2.1509 -0.9097 -0.9097 -0.5119 -0.5119 0.4763 0.4763 9.1281 9.1281 10.0597 10.0597 10.8241 10.8241 k = 0.0000 0.1469 0.1092 ( 1916 PWs) bands (ev): -13.8325 -13.8325 -2.0839 -2.0839 -0.8936 -0.8936 -0.4952 -0.4952 0.4140 0.4140 9.1553 9.1553 10.1574 10.1574 10.7794 10.7794 k = 0.0000 0.1364 0.1014 ( 1918 PWs) bands (ev): -13.8411 -13.8411 -2.0146 -2.0146 -0.8787 -0.8787 -0.4793 -0.4793 0.3476 0.3476 9.1811 9.1811 10.2547 10.2547 10.7374 10.7374 k = 0.0000 0.1259 0.0936 ( 1914 PWs) bands (ev): -13.8492 -13.8492 -1.9431 -1.9431 -0.8653 -0.8653 -0.4643 -0.4643 0.2776 0.2776 9.2049 9.2049 10.3513 10.3513 10.6983 10.6983 k = 0.0000 0.1154 0.0858 ( 1914 PWs) bands (ev): -13.8567 -13.8567 -1.8697 -1.8697 -0.8535 -0.8535 -0.4502 -0.4502 0.2047 0.2047 9.2263 9.2263 10.4464 10.4464 10.6620 10.6620 k = 0.0000 0.1049 0.0780 ( 1917 PWs) bands (ev): -13.8636 -13.8636 -1.7945 -1.7945 -0.8435 -0.8435 -0.4372 -0.4372 0.1298 0.1298 9.2452 9.2452 10.5395 10.5395 10.6286 10.6286 k = 0.0000 0.0944 0.0702 ( 1917 PWs) bands (ev): -13.8700 -13.8700 -1.7177 -1.7177 -0.8357 -0.8357 -0.4252 -0.4252 0.0537 0.0537 9.2616 9.2616 10.5983 10.5983 10.6295 10.6295 k = 0.0000 0.0840 0.0624 ( 1909 PWs) bands (ev): -13.8757 -13.8757 -1.6396 -1.6396 -0.8305 -0.8305 -0.4145 -0.4145 -0.0227 -0.0227 9.2756 9.2756 10.5711 10.5711 10.7157 10.7157 k = 0.0000 0.0735 0.0546 ( 1913 PWs) bands (ev): -13.8808 -13.8808 -1.5606 -1.5606 -0.8286 -0.8286 -0.4050 -0.4050 -0.0980 -0.0980 9.2872 9.2872 10.5469 10.5469 10.7967 10.7967 k = 0.0000 0.0630 0.0468 ( 1909 PWs) bands (ev): -13.8853 -13.8853 -1.4812 -1.4812 -0.8308 -0.8308 -0.3969 -0.3969 -0.1705 -0.1705 9.2967 9.2967 10.5259 10.5259 10.8715 10.8715 k = 0.0000 0.0525 0.0390 ( 1913 PWs) bands (ev): -13.8890 -13.8890 -1.4018 -1.4018 -0.8384 -0.8384 -0.3906 -0.3906 -0.2381 -0.2381 9.3043 9.3043 10.5081 10.5081 10.9385 10.9385 k = 0.0000 0.0420 0.0312 ( 1913 PWs) bands (ev): -13.8922 -13.8922 -1.3233 -1.3233 -0.8529 -0.8529 -0.3870 -0.3870 -0.2973 -0.2973 9.3103 9.3103 10.4935 10.4935 10.9875 10.9875 k = 0.0000 0.0315 0.0234 ( 1917 PWs) bands (ev): -13.8946 -13.8946 -1.2470 -1.2470 -0.8758 -0.8758 -0.3899 -0.3899 -0.3413 -0.3413 9.3147 9.3147 10.4820 10.4820 10.9935 10.9935 k = 0.0000 0.0210 0.0156 ( 1917 PWs) bands (ev): -13.8963 -13.8963 -1.1751 -1.1751 -0.9077 -0.9077 -0.4071 -0.4071 -0.3595 -0.3595 9.3177 9.3177 10.4738 10.4738 10.9981 10.9981 k = 0.0000 0.0105 0.0078 ( 1917 PWs) bands (ev): -13.8974 -13.8974 -1.1130 -1.1130 -0.9451 -0.9451 -0.4259 -0.4259 -0.3627 -0.3627 9.3195 9.3195 10.4689 10.4689 11.0010 11.0010 k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -13.8977 -13.8977 -1.0821 -1.0821 -0.9677 -0.9677 -0.4329 -0.4329 -0.3631 -0.3631 9.3201 9.3201 10.4672 10.4672 11.0019 11.0019 k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -13.8977 -13.8977 -1.0821 -1.0821 -0.9677 -0.9677 -0.4329 -0.4329 -0.3631 -0.3631 9.3201 9.3201 10.4672 10.4672 11.0019 11.0019 k = 0.0096 0.0053-0.0072 ( 1917 PWs) bands (ev): -13.8974 -13.8974 -1.0974 -1.0974 -0.9581 -0.9581 -0.4334 -0.4334 -0.3586 -0.3586 9.3158 9.3158 10.4625 10.4625 11.0038 11.0038 k = 0.0192 0.0107-0.0144 ( 1913 PWs) bands (ev): -13.8965 -13.8965 -1.1335 -1.1335 -0.9389 -0.9389 -0.4348 -0.4348 -0.3453 -0.3453 9.3030 9.3030 10.4483 10.4483 11.0092 11.0092 k = 0.0288 0.0160-0.0215 ( 1917 PWs) bands (ev): -13.8949 -13.8949 -1.1798 -1.1798 -0.9199 -0.9199 -0.4373 -0.4373 -0.3238 -0.3238 9.2821 9.2821 10.4250 10.4250 11.0183 11.0183 k = 0.0385 0.0213-0.0287 ( 1925 PWs) bands (ev): -13.8927 -13.8927 -1.2316 -1.2316 -0.9046 -0.9046 -0.4411 -0.4411 -0.2954 -0.2954 9.2536 9.2536 10.3931 10.3931 11.0309 11.0309 k = 0.0481 0.0267-0.0359 ( 1925 PWs) bands (ev): -13.8899 -13.8899 -1.2868 -1.2868 -0.8935 -0.8935 -0.4461 -0.4461 -0.2615 -0.2615 9.2183 9.2183 10.3534 10.3534 11.0472 11.0472 k = 0.0577 0.0320-0.0431 ( 1929 PWs) bands (ev): -13.8865 -13.8865 -1.3442 -1.3442 -0.8866 -0.8866 -0.4522 -0.4522 -0.2237 -0.2237 9.1769 9.1769 10.3066 10.3066 11.0670 11.0670 k = 0.0673 0.0374-0.0502 ( 1927 PWs) bands (ev): -13.8825 -13.8825 -1.4030 -1.4030 -0.8833 -0.8833 -0.4595 -0.4595 -0.1835 -0.1835 9.1307 9.1307 10.2536 10.2536 11.0903 11.0903 k = 0.0769 0.0427-0.0574 ( 1927 PWs) bands (ev): -13.8779 -13.8779 -1.4625 -1.4625 -0.8830 -0.8830 -0.4678 -0.4678 -0.1422 -0.1422 9.0808 9.0808 10.1953 10.1953 11.1172 11.1172 k = 0.0865 0.0480-0.0646 ( 1921 PWs) bands (ev): -13.8728 -13.8728 -1.5222 -1.5222 -0.8853 -0.8853 -0.4771 -0.4771 -0.1010 -0.1010 9.0284 9.0284 10.1325 10.1325 11.1474 11.1474 k = 0.0962 0.0534-0.0718 ( 1921 PWs) bands (ev): -13.8671 -13.8671 -1.5817 -1.5817 -0.8897 -0.8897 -0.4874 -0.4874 -0.0608 -0.0608 8.9748 8.9748 10.0659 10.0659 11.1809 11.1809 k = 0.1058 0.0587-0.0790 ( 1925 PWs) bands (ev): -13.8608 -13.8608 -1.6406 -1.6406 -0.8960 -0.8960 -0.4986 -0.4986 -0.0225 -0.0225 8.9214 8.9214 9.9963 9.9963 11.2177 11.2177 k = 0.1154 0.0640-0.0861 ( 1921 PWs) bands (ev): -13.8541 -13.8541 -1.6988 -1.6988 -0.9039 -0.9039 -0.5106 -0.5106 0.0133 0.0133 8.8693 8.8693 9.9243 9.9243 11.2577 11.2577 k = 0.1250 0.0694-0.0933 ( 1917 PWs) bands (ev): -13.8469 -13.8469 -1.7559 -1.7559 -0.9131 -0.9131 -0.5235 -0.5235 0.0458 0.0458 8.8199 8.8199 9.8506 9.8506 11.3008 11.3008 k = 0.1346 0.0747-0.1005 ( 1913 PWs) bands (ev): -13.8392 -13.8392 -1.8117 -1.8117 -0.9235 -0.9235 -0.5371 -0.5371 0.0746 0.0746 8.7741 8.7741 9.7757 9.7757 11.3467 11.3467 k = 0.1442 0.0800-0.1077 ( 1909 PWs) bands (ev): -13.8311 -13.8311 -1.8660 -1.8660 -0.9349 -0.9349 -0.5514 -0.5514 0.0993 0.0993 8.7331 8.7331 9.7001 9.7001 11.3954 11.3954 k = 0.1538 0.0854-0.1149 ( 1909 PWs) bands (ev): -13.8225 -13.8225 -1.9188 -1.9188 -0.9472 -0.9472 -0.5662 -0.5662 0.1194 0.1194 8.6977 8.6977 9.6241 9.6241 11.4465 11.4465 k = 0.1635 0.0907-0.1220 ( 1909 PWs) bands (ev): -13.8136 -13.8136 -1.9699 -1.9699 -0.9602 -0.9602 -0.5817 -0.5817 0.1346 0.1346 8.6687 8.6687 9.5481 9.5481 11.4996 11.4996 k = 0.1731 0.0961-0.1292 ( 1909 PWs) bands (ev): -13.8043 -13.8043 -2.0190 -2.0190 -0.9739 -0.9739 -0.5976 -0.5976 0.1446 0.1446 8.6469 8.6469 9.4725 9.4725 11.5543 11.5543 k = 0.1827 0.1014-0.1364 ( 1905 PWs) bands (ev): -13.7947 -13.7947 -2.0662 -2.0662 -0.9881 -0.9881 -0.6140 -0.6140 0.1494 0.1494 8.6326 8.6326 9.3976 9.3976 11.6102 11.6102 k = 0.1923 0.1067-0.1436 ( 1909 PWs) bands (ev): -13.7849 -13.7849 -2.1113 -2.1113 -1.0029 -1.0029 -0.6307 -0.6307 0.1488 0.1488 8.6265 8.6265 9.3235 9.3235 11.6671 11.6671 k = 0.2019 0.1121-0.1507 ( 1911 PWs) bands (ev): -13.7747 -13.7747 -2.1543 -2.1543 -1.0179 -1.0179 -0.6477 -0.6477 0.1427 0.1427 8.6287 8.6287 9.2504 9.2504 11.7252 11.7252 k = 0.2115 0.1174-0.1579 ( 1911 PWs) bands (ev): -13.7644 -13.7644 -2.1950 -2.1950 -1.0333 -1.0333 -0.6649 -0.6649 0.1311 0.1311 8.6396 8.6396 9.1787 9.1787 11.7849 11.7849 k = 0.2212 0.1227-0.1651 ( 1911 PWs) bands (ev): -13.7539 -13.7539 -2.2335 -2.2335 -1.0490 -1.0490 -0.6823 -0.6823 0.1143 0.1143 8.6591 8.6591 9.1084 9.1084 11.8465 11.8465 k = 0.2308 0.1281-0.1723 ( 1911 PWs) bands (ev): -13.7432 -13.7432 -2.2696 -2.2696 -1.0647 -1.0647 -0.6997 -0.6997 0.0922 0.0922 8.6872 8.6872 9.0396 9.0396 11.9098 11.9098 k = 0.2404 0.1334-0.1795 ( 1911 PWs) bands (ev): -13.7324 -13.7324 -2.3033 -2.3033 -1.0805 -1.0805 -0.7172 -0.7172 0.0652 0.0652 8.7239 8.7239 8.9725 8.9725 11.9751 11.9751 k = 0.2500 0.1387-0.1866 ( 1911 PWs) bands (ev): -13.7216 -13.7216 -2.3345 -2.3345 -1.0963 -1.0963 -0.7347 -0.7347 0.0334 0.0334 8.7690 8.7690 8.9073 8.9073 12.0422 12.0422 k = 0.2596 0.1441-0.1938 ( 1913 PWs) bands (ev): -13.7107 -13.7107 -2.3633 -2.3633 -1.1121 -1.1121 -0.7520 -0.7520 -0.0027 -0.0027 8.8222 8.8222 8.8440 8.8440 12.1111 12.1111 k = 0.2692 0.1494-0.2010 ( 1905 PWs) bands (ev): -13.6998 -13.6998 -2.3897 -2.3897 -1.1277 -1.1277 -0.7692 -0.7692 -0.0429 -0.0429 8.7827 8.7827 8.8831 8.8831 12.1818 12.1818 k = 0.2788 0.1548-0.2082 ( 1909 PWs) bands (ev): -13.6890 -13.6890 -2.4135 -2.4135 -1.1431 -1.1431 -0.7861 -0.7861 -0.0868 -0.0868 8.7235 8.7235 8.9513 8.9513 12.2539 12.2539 k = 0.2885 0.1601-0.2154 ( 1913 PWs) bands (ev): -13.6783 -13.6783 -2.4349 -2.4349 -1.1582 -1.1582 -0.8028 -0.8028 -0.1339 -0.1339 8.6665 8.6665 9.0263 9.0263 12.3276 12.3276 k = 0.2981 0.1654-0.2225 ( 1917 PWs) bands (ev): -13.6677 -13.6677 -2.4537 -2.4537 -1.1730 -1.1730 -0.8191 -0.8191 -0.1839 -0.1839 8.6117 8.6117 9.1076 9.1076 12.4025 12.4025 k = 0.3077 0.1708-0.2297 ( 1921 PWs) bands (ev): -13.6573 -13.6573 -2.4702 -2.4702 -1.1874 -1.1874 -0.8350 -0.8350 -0.2363 -0.2363 8.5591 8.5591 9.1947 9.1947 12.4783 12.4783 k = 0.3173 0.1761-0.2369 ( 1917 PWs) bands (ev): -13.6471 -13.6471 -2.4842 -2.4842 -1.2013 -1.2013 -0.8505 -0.8505 -0.2907 -0.2907 8.5089 8.5089 9.2869 9.2869 12.5512 12.5512 k = 0.3269 0.1814-0.2441 ( 1925 PWs) bands (ev): -13.6372 -13.6372 -2.4959 -2.4959 -1.2147 -1.2147 -0.8655 -0.8655 -0.3466 -0.3466 8.4610 8.4610 9.3835 9.3835 12.5956 12.5956 k = 0.3365 0.1868-0.2512 ( 1929 PWs) bands (ev): -13.6275 -13.6275 -2.5053 -2.5053 -1.2276 -1.2276 -0.8800 -0.8800 -0.4036 -0.4036 8.4155 8.4155 9.4837 9.4837 12.6334 12.6334 k = 0.3462 0.1921-0.2584 ( 1929 PWs) bands (ev): -13.6182 -13.6182 -2.5125 -2.5125 -1.2398 -1.2398 -0.8938 -0.8938 -0.4611 -0.4611 8.3725 8.3725 9.5870 9.5870 12.6703 12.6703 k = 0.3558 0.1974-0.2656 ( 1923 PWs) bands (ev): -13.6092 -13.6092 -2.5176 -2.5176 -1.2513 -1.2513 -0.9071 -0.9071 -0.5188 -0.5188 8.3320 8.3320 9.6923 9.6923 12.7065 12.7065 k = 0.3654 0.2028-0.2728 ( 1925 PWs) bands (ev): -13.6006 -13.6006 -2.5208 -2.5208 -1.2621 -1.2621 -0.9197 -0.9197 -0.5762 -0.5762 8.2940 8.2940 9.7989 9.7989 12.7417 12.7417 k = 0.3750 0.2081-0.2800 ( 1925 PWs) bands (ev): -13.5925 -13.5925 -2.5221 -2.5221 -1.2720 -1.2720 -0.9316 -0.9316 -0.6329 -0.6329 8.2584 8.2584 9.9059 9.9059 12.7758 12.7758 k = 0.3846 0.2135-0.2871 ( 1929 PWs) bands (ev): -13.5848 -13.5848 -2.5217 -2.5217 -1.2812 -1.2812 -0.9427 -0.9427 -0.6884 -0.6884 8.2255 8.2255 10.0121 10.0121 12.8084 12.8084 k = 0.3942 0.2188-0.2943 ( 1921 PWs) bands (ev): -13.5776 -13.5776 -2.5199 -2.5199 -1.2894 -1.2894 -0.9531 -0.9531 -0.7422 -0.7422 8.1952 8.1952 10.1166 10.1166 12.8395 12.8395 k = 0.4038 0.2241-0.3015 ( 1917 PWs) bands (ev): -13.5710 -13.5710 -2.5169 -2.5169 -1.2966 -1.2966 -0.9627 -0.9627 -0.7939 -0.7939 8.1674 8.1674 10.2182 10.2182 12.8687 12.8687 k = 0.4135 0.2295-0.3087 ( 1917 PWs) bands (ev): -13.5648 -13.5648 -2.5128 -2.5128 -1.3028 -1.3028 -0.9715 -0.9715 -0.8431 -0.8431 8.1422 8.1422 10.3157 10.3157 12.8958 12.8958 k = 0.4231 0.2348-0.3158 ( 1919 PWs) bands (ev): -13.5593 -13.5593 -2.5080 -2.5080 -1.3080 -1.3080 -0.9794 -0.9794 -0.8892 -0.8892 8.1197 8.1197 10.4079 10.4079 12.9206 12.9206 k = 0.4327 0.2401-0.3230 ( 1917 PWs) bands (ev): -13.5544 -13.5544 -2.5028 -2.5028 -1.3121 -1.3121 -0.9867 -0.9867 -0.9317 -0.9317 8.0997 8.0997 10.4935 10.4935 12.9430 12.9430 k = 0.4423 0.2455-0.3302 ( 1911 PWs) bands (ev): -13.5500 -13.5500 -2.4974 -2.4974 -1.3152 -1.3152 -0.9936 -0.9936 -0.9696 -0.9696 8.0824 8.0824 10.5712 10.5712 12.9627 12.9627 k = 0.4519 0.2508-0.3374 ( 1908 PWs) bands (ev): -13.5464 -13.5464 -2.4921 -2.4921 -1.3173 -1.3173 -1.0082 -1.0082 -0.9944 -0.9944 8.0678 8.0678 10.6397 10.6397 12.9797 12.9797 k = 0.4615 0.2561-0.3446 ( 1908 PWs) bands (ev): -13.5433 -13.5433 -2.4873 -2.4873 -1.3184 -1.3184 -1.0354 -1.0354 -1.0007 -1.0007 8.0558 8.0558 10.6978 10.6978 12.9937 12.9937 k = 0.4712 0.2615-0.3517 ( 1908 PWs) bands (ev): -13.5409 -13.5409 -2.4833 -2.4833 -1.3189 -1.3189 -1.0587 -1.0587 -1.0044 -1.0044 8.0464 8.0464 10.7442 10.7442 13.0046 13.0046 k = 0.4808 0.2668-0.3589 ( 1904 PWs) bands (ev): -13.5392 -13.5392 -2.4802 -2.4802 -1.3189 -1.3189 -1.0760 -1.0760 -1.0069 -1.0069 8.0398 8.0398 10.7782 10.7782 13.0125 13.0125 k = 0.4904 0.2722-0.3661 ( 1904 PWs) bands (ev): -13.5382 -13.5382 -2.4783 -2.4783 -1.3187 -1.3187 -1.0866 -1.0866 -1.0084 -1.0084 8.0357 8.0357 10.7989 10.7989 13.0172 13.0172 k = 0.5000 0.2775-0.3733 ( 1904 PWs) bands (ev): -13.5379 -13.5379 -2.4776 -2.4776 -1.3187 -1.3187 -1.0903 -1.0903 -1.0089 -1.0089 8.0344 8.0344 10.8058 10.8058 13.0188 13.0188 k = 0.5000 0.2775-0.3733 ( 1904 PWs) bands (ev): -13.5379 -13.5379 -2.4776 -2.4776 -1.3187 -1.3187 -1.0903 -1.0903 -1.0089 -1.0089 8.0344 8.0344 10.8058 10.8058 13.0188 13.0188 k = 0.5088 0.2718-0.3657 ( 1908 PWs) bands (ev): -13.5378 -13.5378 -2.4770 -2.4770 -1.3307 -1.3307 -1.1179 -1.1179 -0.9691 -0.9691 8.0372 8.0372 10.8031 10.8031 12.9935 12.9935 k = 0.5177 0.2662-0.3580 ( 1904 PWs) bands (ev): -13.5375 -13.5375 -2.4750 -2.4750 -1.3655 -1.3655 -1.1531 -1.1531 -0.8987 -0.8987 8.0457 8.0457 10.7948 10.7948 12.9225 12.9225 k = 0.5265 0.2605-0.3504 ( 1914 PWs) bands (ev): -13.5369 -13.5369 -2.4717 -2.4717 -1.4179 -1.4179 -1.1786 -1.1786 -0.8204 -0.8204 8.0598 8.0598 10.7811 10.7811 12.8163 12.8163 k = 0.5353 0.2548-0.3428 ( 1914 PWs) bands (ev): -13.5362 -13.5362 -2.4671 -2.4671 -1.4802 -1.4802 -1.1977 -1.1977 -0.7383 -0.7383 8.0795 8.0795 10.7621 10.7621 12.6854 12.6854 k = 0.5441 0.2492-0.3352 ( 1920 PWs) bands (ev): -13.5353 -13.5353 -2.4612 -2.4612 -1.5466 -1.5466 -1.2144 -1.2144 -0.6542 -0.6542 8.1046 8.1046 10.7378 10.7378 12.5380 12.5380 k = 0.5530 0.2435-0.3276 ( 1924 PWs) bands (ev): -13.5342 -13.5342 -2.4542 -2.4542 -1.6143 -1.6143 -1.2309 -1.2309 -0.5690 -0.5690 8.1352 8.1352 10.7085 10.7085 12.3797 12.3797 k = 0.5618 0.2378-0.3200 ( 1924 PWs) bands (ev): -13.5330 -13.5330 -2.4461 -2.4461 -1.6814 -1.6814 -1.2483 -1.2483 -0.4833 -0.4833 8.1710 8.1710 10.6744 10.6744 12.2151 12.2151 k = 0.5706 0.2322-0.3123 ( 1930 PWs) bands (ev): -13.5315 -13.5315 -2.4370 -2.4370 -1.7471 -1.7471 -1.2669 -1.2669 -0.3976 -0.3976 8.2121 8.2121 10.6355 10.6355 12.0472 12.0472 k = 0.5795 0.2265-0.3047 ( 1930 PWs) bands (ev): -13.5298 -13.5298 -2.4271 -2.4271 -1.8106 -1.8106 -1.2870 -1.2870 -0.3123 -0.3123 8.2582 8.2582 10.5923 10.5923 11.8786 11.8786 k = 0.5883 0.2209-0.2971 ( 1926 PWs) bands (ev): -13.5280 -13.5280 -2.4166 -2.4166 -1.8713 -1.8713 -1.3087 -1.3087 -0.2279 -0.2279 8.3091 8.3091 10.5448 10.5448 11.7113 11.7113 k = 0.5971 0.2152-0.2895 ( 1930 PWs) bands (ev): -13.5261 -13.5261 -2.4059 -2.4059 -1.9288 -1.9288 -1.3318 -1.3318 -0.1449 -0.1449 8.3647 8.3647 10.4934 10.4934 11.5466 11.5466 k = 0.6060 0.2095-0.2819 ( 1930 PWs) bands (ev): -13.5240 -13.5240 -2.3954 -2.3954 -1.9823 -1.9823 -1.3564 -1.3564 -0.0636 -0.0636 8.4248 8.4248 10.4384 10.4384 11.3859 11.3859 k = 0.6148 0.2039-0.2742 ( 1934 PWs) bands (ev): -13.5217 -13.5217 -2.3860 -2.3860 -2.0309 -2.0309 -1.3823 -1.3823 0.0155 0.0155 8.4892 8.4892 10.3799 10.3799 11.2302 11.2302 k = 0.6236 0.1982-0.2666 ( 1934 PWs) bands (ev): -13.5194 -13.5194 -2.3789 -2.3789 -2.0733 -2.0733 -1.4094 -1.4094 0.0920 0.0920 8.5577 8.5577 10.3184 10.3184 11.0808 11.0808 k = 0.6324 0.1925-0.2590 ( 1936 PWs) bands (ev): -13.5169 -13.5169 -2.3758 -2.3758 -2.1078 -2.1078 -1.4376 -1.4376 0.1655 0.1655 8.6300 8.6300 10.2539 10.2539 10.9382 10.9382 k = 0.6413 0.1869-0.2514 ( 1936 PWs) bands (ev): -13.5143 -13.5143 -2.3787 -2.3787 -2.1323 -2.1323 -1.4667 -1.4667 0.2354 0.2354 8.7060 8.7060 10.1869 10.1869 10.8034 10.8034 k = 0.6501 0.1812-0.2438 ( 1932 PWs) bands (ev): -13.5116 -13.5116 -2.3889 -2.3889 -2.1455 -2.1455 -1.4964 -1.4964 0.3014 0.3014 8.7854 8.7854 10.1175 10.1175 10.6771 10.6771 k = 0.6589 0.1756-0.2362 ( 1932 PWs) bands (ev): -13.5088 -13.5088 -2.4060 -2.4060 -2.1480 -2.1480 -1.5267 -1.5267 0.3628 0.3628 8.8678 8.8678 10.0460 10.0460 10.5599 10.5599 k = 0.6678 0.1699-0.2285 ( 1926 PWs) bands (ev): -13.5060 -13.5060 -2.4278 -2.4278 -2.1419 -2.1419 -1.5573 -1.5573 0.4194 0.4194 8.9532 8.9532 9.9727 9.9727 10.4525 10.4525 k = 0.6766 0.1642-0.2209 ( 1918 PWs) bands (ev): -13.5031 -13.5031 -2.4519 -2.4519 -2.1300 -2.1300 -1.5878 -1.5878 0.4707 0.4707 9.0409 9.0409 9.8980 9.8980 10.3554 10.3554 k = 0.6854 0.1586-0.2133 ( 1914 PWs) bands (ev): -13.5001 -13.5001 -2.4762 -2.4762 -2.1142 -2.1142 -1.6181 -1.6181 0.5161 0.5161 9.1308 9.1308 9.8220 9.8220 10.2694 10.2694 k = 0.6943 0.1529-0.2057 ( 1910 PWs) bands (ev): -13.4972 -13.4972 -2.4997 -2.4997 -2.0962 -2.0962 -1.6476 -1.6476 0.5554 0.5554 9.2223 9.2223 9.7453 9.7453 10.1947 10.1947 k = 0.7031 0.1472-0.1981 ( 1906 PWs) bands (ev): -13.4942 -13.4942 -2.5214 -2.5214 -2.0772 -2.0772 -1.6758 -1.6758 0.5882 0.5882 9.3140 9.3140 9.6691 9.6691 10.1319 10.1319 k = 0.7119 0.1416-0.1905 ( 1906 PWs) bands (ev): -13.4912 -13.4912 -2.5408 -2.5408 -2.0585 -2.0585 -1.7020 -1.7020 0.6141 0.6141 9.4017 9.4017 9.5976 9.5976 10.0813 10.0813 k = 0.7207 0.1359-0.1828 ( 1914 PWs) bands (ev): -13.4882 -13.4882 -2.5577 -2.5577 -2.0414 -2.0414 -1.7249 -1.7249 0.6328 0.6328 9.4507 9.4507 9.5654 9.5654 10.0433 10.0433 k = 0.7296 0.1303-0.1752 ( 1910 PWs) bands (ev): -13.4852 -13.4852 -2.5717 -2.5717 -2.0277 -2.0277 -1.7430 -1.7430 0.6443 0.6443 9.4023 9.4023 9.6312 9.6312 10.0181 10.0181 k = 0.7384 0.1246-0.1676 ( 1910 PWs) bands (ev): -13.4822 -13.4822 -2.5828 -2.5828 -2.0193 -2.0193 -1.7546 -1.7546 0.6484 0.6484 9.3274 9.3274 9.7240 9.7240 10.0058 10.0058 k = 0.7472 0.1189-0.1600 ( 1906 PWs) bands (ev): -13.4793 -13.4793 -2.5908 -2.5908 -2.0178 -2.0178 -1.7579 -1.7579 0.6450 0.6450 9.2482 9.2482 9.8215 9.8215 10.0065 10.0065 k = 0.7561 0.1133-0.1524 ( 1906 PWs) bands (ev): -13.4764 -13.4764 -2.5957 -2.5957 -2.0239 -2.0239 -1.7526 -1.7526 0.6342 0.6342 9.1681 9.1681 9.9200 9.9200 10.0203 10.0203 k = 0.7649 0.1076-0.1447 ( 1910 PWs) bands (ev): -13.4735 -13.4735 -2.5975 -2.5975 -2.0365 -2.0365 -1.7394 -1.7394 0.6161 0.6161 9.0876 9.0876 10.0169 10.0169 10.0489 10.0489 k = 0.7737 0.1019-0.1371 ( 1906 PWs) bands (ev): -13.4708 -13.4708 -2.5961 -2.5961 -2.0538 -2.0538 -1.7203 -1.7203 0.5908 0.5908 9.0074 9.0074 10.0810 10.0810 10.1229 10.1229 k = 0.7825 0.0963-0.1295 ( 1906 PWs) bands (ev): -13.4681 -13.4681 -2.5918 -2.5918 -2.0741 -2.0741 -1.6970 -1.6970 0.5586 0.5586 8.9278 8.9278 10.1332 10.1332 10.2206 10.2206 k = 0.7914 0.0906-0.1219 ( 1910 PWs) bands (ev): -13.4654 -13.4654 -2.5844 -2.5844 -2.0960 -2.0960 -1.6709 -1.6709 0.5198 0.5198 8.8490 8.8490 10.1961 10.1961 10.3186 10.3186 k = 0.7914 0.0906-0.1219 ( 1910 PWs) bands (ev): -13.4654 -13.4654 -2.5844 -2.5844 -2.0960 -2.0960 -1.6709 -1.6709 0.5198 0.5198 8.8490 8.8490 10.1961 10.1961 10.3186 10.3186 k = 0.7904 0.0830-0.1116 ( 1907 PWs) bands (ev): -13.4638 -13.4638 -2.5795 -2.5795 -2.1107 -2.1107 -1.6499 -1.6499 0.4902 0.4902 8.7938 8.7938 10.2477 10.2477 10.3841 10.3841 k = 0.7895 0.0753-0.1013 ( 1903 PWs) bands (ev): -13.4623 -13.4623 -2.5765 -2.5765 -2.1250 -2.1250 -1.6242 -1.6242 0.4582 0.4582 8.7351 8.7351 10.3094 10.3094 10.4483 10.4483 k = 0.7886 0.0677-0.0910 ( 1903 PWs) bands (ev): -13.4609 -13.4609 -2.5750 -2.5750 -2.1387 -2.1387 -1.5943 -1.5943 0.4240 0.4240 8.6746 8.6746 10.3797 10.3797 10.5108 10.5108 k = 0.7877 0.0600-0.0808 ( 1911 PWs) bands (ev): -13.4596 -13.4596 -2.5747 -2.5747 -2.1518 -2.1518 -1.5609 -1.5609 0.3877 0.3877 8.6140 8.6140 10.4573 10.4573 10.5715 10.5715 k = 0.7867 0.0524-0.0705 ( 1907 PWs) bands (ev): -13.4585 -13.4585 -2.5754 -2.5754 -2.1642 -2.1642 -1.5246 -1.5246 0.3497 0.3497 8.5545 8.5545 10.5404 10.5404 10.6310 10.6310 k = 0.7858 0.0447-0.0602 ( 1905 PWs) bands (ev): -13.4574 -13.4574 -2.5765 -2.5765 -2.1759 -2.1759 -1.4862 -1.4862 0.3102 0.3102 8.4973 8.4973 10.6244 10.6244 10.6925 10.6925 k = 0.7849 0.0371-0.0499 ( 1901 PWs) bands (ev): -13.4564 -13.4564 -2.5779 -2.5779 -2.1867 -2.1867 -1.4466 -1.4466 0.2696 0.2696 8.4433 8.4433 10.6976 10.6976 10.7667 10.7667 k = 0.7840 0.0295-0.0396 ( 1901 PWs) bands (ev): -13.4555 -13.4555 -2.5793 -2.5793 -2.1967 -2.1967 -1.4066 -1.4066 0.2283 0.2283 8.3932 8.3932 10.7519 10.7519 10.8604 10.8604 k = 0.7830 0.0218-0.0293 ( 1901 PWs) bands (ev): -13.4546 -13.4546 -2.5804 -2.5804 -2.2056 -2.2056 -1.3669 -1.3669 0.1868 0.1868 8.3476 8.3476 10.7943 10.7943 10.9658 10.9658 k = 0.7821 0.0142-0.0190 ( 1906 PWs) bands (ev): -13.4538 -13.4538 -2.5810 -2.5810 -2.2135 -2.2135 -1.3285 -1.3285 0.1456 0.1456 8.3072 8.3072 10.8286 10.8286 11.0780 11.0780 k = 0.7812 0.0065-0.0088 ( 1906 PWs) bands (ev): -13.4529 -13.4529 -2.5810 -2.5810 -2.2203 -2.2203 -1.2924 -1.2924 0.1056 0.1056 8.2722 8.2722 10.8557 10.8557 11.1955 11.1955 k = 0.7802-0.0011 0.0015 ( 1906 PWs) bands (ev): -13.4521 -13.4521 -2.5803 -2.5803 -2.2259 -2.2259 -1.2596 -1.2596 0.0675 0.0675 8.2432 8.2432 10.8756 10.8756 11.3175 11.3175 k = 0.7793-0.0088 0.0118 ( 1909 PWs) bands (ev): -13.4513 -13.4513 -2.5786 -2.5786 -2.2304 -2.2304 -1.2312 -1.2312 0.0321 0.0321 8.2204 8.2204 10.8880 10.8880 11.4433 11.4433 k = 0.7784-0.0164 0.0221 ( 1915 PWs) bands (ev): -13.4505 -13.4505 -2.5760 -2.5760 -2.2336 -2.2336 -1.2083 -1.2083 0.0005 0.0005 8.2041 8.2041 10.8927 10.8927 11.5722 11.5722 k = 0.7775-0.0241 0.0324 ( 1911 PWs) bands (ev): -13.4497 -13.4497 -2.5723 -2.5723 -2.2356 -2.2356 -1.1919 -1.1919 -0.0265 -0.0265 8.1945 8.1945 10.8896 10.8896 11.5768 11.5768 k = 0.7765-0.0317 0.0427 ( 1907 PWs) bands (ev): -13.4489 -13.4489 -2.5675 -2.5675 -2.2363 -2.2363 -1.1830 -1.1830 -0.0480 -0.0480 8.1917 8.1917 10.8785 10.8785 11.4404 11.4404 k = 0.7756-0.0394 0.0529 ( 1905 PWs) bands (ev): -13.4481 -13.4481 -2.5615 -2.5615 -2.2357 -2.2357 -1.1823 -1.1823 -0.0634 -0.0634 8.1959 8.1959 10.8595 10.8595 11.3071 11.3071 k = 0.7747-0.0470 0.0632 ( 1905 PWs) bands (ev): -13.4472 -13.4472 -2.5544 -2.5544 -2.2338 -2.2338 -1.1903 -1.1903 -0.0723 -0.0723 8.2072 8.2072 10.8326 10.8326 11.1775 11.1775 k = 0.7738-0.0547 0.0735 ( 1905 PWs) bands (ev): -13.4464 -13.4464 -2.5460 -2.5460 -2.2305 -2.2305 -1.2067 -1.2067 -0.0749 -0.0749 8.2256 8.2256 10.7980 10.7980 11.0520 11.0520 k = 0.7728-0.0623 0.0838 ( 1905 PWs) bands (ev): -13.4455 -13.4455 -2.5364 -2.5364 -2.2259 -2.2259 -1.2313 -1.2313 -0.0717 -0.0717 8.2512 8.2512 10.7558 10.7558 10.9312 10.9312 k = 0.7719-0.0699 0.0941 ( 1899 PWs) bands (ev): -13.4446 -13.4446 -2.5256 -2.5256 -2.2199 -2.2199 -1.2632 -1.2632 -0.0635 -0.0635 8.2839 8.2839 10.7055 10.7055 10.8160 10.8160 k = 0.7710-0.0776 0.1044 ( 1902 PWs) bands (ev): -13.4438 -13.4438 -2.5137 -2.5137 -2.2125 -2.2125 -1.3014 -1.3014 -0.0511 -0.0511 8.3237 8.3237 10.6446 10.6446 10.7098 10.7098 k = 0.7700-0.0852 0.1147 ( 1896 PWs) bands (ev): -13.4429 -13.4429 -2.5006 -2.5006 -2.2038 -2.2038 -1.3449 -1.3449 -0.0355 -0.0355 8.3707 8.3707 10.5651 10.5651 10.6211 10.6211 k = 0.7691-0.0929 0.1249 ( 1904 PWs) bands (ev): -13.4421 -13.4421 -2.4865 -2.4865 -2.1936 -2.1936 -1.3926 -1.3926 -0.0179 -0.0179 8.4245 8.4245 10.4705 10.4705 10.5473 10.5473 k = 0.7682-0.1005 0.1352 ( 1906 PWs) bands (ev): -13.4413 -13.4413 -2.4713 -2.4713 -2.1821 -2.1821 -1.4436 -1.4436 0.0010 0.0010 8.4852 8.4852 10.3742 10.3742 10.4756 10.4756 k = 0.7673-0.1082 0.1455 ( 1910 PWs) bands (ev): -13.4405 -13.4405 -2.4553 -2.4553 -2.1693 -2.1693 -1.4969 -1.4969 0.0205 0.0205 8.5525 8.5525 10.2810 10.2810 10.4021 10.4021 k = 0.7663-0.1158 0.1558 ( 1911 PWs) bands (ev): -13.4398 -13.4398 -2.4385 -2.4385 -2.1551 -2.1551 -1.5517 -1.5517 0.0397 0.0397 8.6262 8.6262 10.1921 10.1921 10.3262 10.3262 k = 0.7654-0.1235 0.1661 ( 1911 PWs) bands (ev): -13.4391 -13.4391 -2.4211 -2.4211 -2.1395 -2.1395 -1.6071 -1.6071 0.0583 0.0583 8.7059 8.7059 10.1081 10.1081 10.2481 10.2481 k = 0.7645-0.1311 0.1764 ( 1911 PWs) bands (ev): -13.4385 -13.4385 -2.4035 -2.4035 -2.1228 -2.1228 -1.6623 -1.6623 0.0758 0.0758 8.7913 8.7913 10.0293 10.0293 10.1682 10.1682 k = 0.7635-0.1388 0.1867 ( 1911 PWs) bands (ev): -13.4380 -13.4380 -2.3858 -2.3858 -2.1050 -2.1050 -1.7164 -1.7164 0.0918 0.0918 8.8818 8.8818 9.9560 9.9560 10.0870 10.0870 k = 0.7626-0.1464 0.1969 ( 1905 PWs) bands (ev): -13.4376 -13.4376 -2.3687 -2.3687 -2.0864 -2.0864 -1.7683 -1.7683 0.1061 0.1061 8.9767 8.9767 9.8888 9.8888 10.0048 10.0048 k = 0.7617-0.1540 0.2072 ( 1903 PWs) bands (ev): -13.4373 -13.4373 -2.3528 -2.3528 -2.0676 -2.0676 -1.8163 -1.8163 0.1185 0.1185 9.0747 9.0747 9.8282 9.8282 9.9223 9.9223 k = 0.7608-0.1617 0.2175 ( 1907 PWs) bands (ev): -13.4372 -13.4372 -2.3391 -2.3391 -2.0497 -2.0497 -1.8582 -1.8582 0.1289 0.1289 9.1741 9.1741 9.7758 9.7758 9.8398 9.8398 k = 0.7598-0.1693 0.2278 ( 1909 PWs) bands (ev): -13.4372 -13.4372 -2.3290 -2.3290 -2.0354 -2.0354 -1.8896 -1.8896 0.1371 0.1371 9.2708 9.2708 9.7340 9.7340 9.7585 9.7585 k = 0.7589-0.1770 0.2381 ( 1906 PWs) bands (ev): -13.4374 -13.4374 -2.3245 -2.3245 -2.0284 -2.0284 -1.9046 -1.9046 0.1431 0.1431 9.3567 9.3567 9.6754 9.6754 9.7142 9.7142 k = 0.7589-0.1770 0.2381 ( 1906 PWs) bands (ev): -13.4374 -13.4374 -2.3245 -2.3245 -2.0284 -2.0284 -1.9046 -1.9046 0.1431 0.1431 9.3567 9.3567 9.6754 9.6754 9.7142 9.7142 k = 0.7519-0.1738 0.2485 ( 1906 PWs) bands (ev): -13.4378 -13.4378 -2.3284 -2.3284 -2.0286 -2.0286 -1.9008 -1.9008 0.1471 0.1471 9.4294 9.4294 9.5667 9.5667 9.7415 9.7415 k = 0.7449-0.1707 0.2590 ( 1906 PWs) bands (ev): -13.4383 -13.4383 -2.3400 -2.3400 -2.0367 -2.0367 -1.8775 -1.8775 0.1489 0.1489 9.4186 9.4186 9.5373 9.5373 9.7822 9.7822 k = 0.7379-0.1676 0.2694 ( 1906 PWs) bands (ev): -13.4391 -13.4391 -2.3569 -2.3569 -2.0509 -2.0509 -1.8396 -1.8396 0.1485 0.1485 9.3101 9.3101 9.6095 9.6095 9.8285 9.8285 k = 0.7309-0.1644 0.2799 ( 1906 PWs) bands (ev): -13.4399 -13.4399 -2.3769 -2.3769 -2.0676 -2.0676 -1.7928 -1.7928 0.1459 0.1459 9.1983 9.1983 9.6892 9.6892 9.8803 9.8803 k = 0.7239-0.1613 0.2903 ( 1903 PWs) bands (ev): -13.4409 -13.4409 -2.3986 -2.3986 -2.0850 -2.0850 -1.7407 -1.7407 0.1411 0.1411 9.0902 9.0902 9.7700 9.7700 9.9373 9.9373 k = 0.7169-0.1581 0.3008 ( 1907 PWs) bands (ev): -13.4419 -13.4419 -2.4211 -2.4211 -2.1020 -2.1020 -1.6854 -1.6854 0.1343 0.1343 8.9870 8.9870 9.8507 9.8507 9.9996 9.9996 k = 0.7099-0.1550 0.3112 ( 1907 PWs) bands (ev): -13.4431 -13.4431 -2.4436 -2.4436 -2.1183 -2.1183 -1.6283 -1.6283 0.1257 0.1257 8.8893 8.8893 9.9306 9.9306 10.0671 10.0671 k = 0.7029-0.1518 0.3217 ( 1907 PWs) bands (ev): -13.4443 -13.4443 -2.4658 -2.4658 -2.1335 -2.1335 -1.5704 -1.5704 0.1154 0.1154 8.7977 8.7977 10.0093 10.0093 10.1397 10.1397 k = 0.6959-0.1487 0.3321 ( 1905 PWs) bands (ev): -13.4455 -13.4455 -2.4874 -2.4874 -2.1477 -2.1477 -1.5126 -1.5126 0.1038 0.1038 8.7123 8.7123 10.0864 10.0864 10.2173 10.2173 k = 0.6889-0.1455 0.3426 ( 1905 PWs) bands (ev): -13.4468 -13.4468 -2.5081 -2.5081 -2.1607 -2.1607 -1.4557 -1.4557 0.0913 0.0913 8.6336 8.6336 10.1614 10.1614 10.2998 10.2998 k = 0.6819-0.1424 0.3530 ( 1901 PWs) bands (ev): -13.4481 -13.4481 -2.5279 -2.5279 -2.1724 -2.1724 -1.4005 -1.4005 0.0785 0.0785 8.5618 8.5618 10.2337 10.2337 10.3872 10.3872 k = 0.6749-0.1393 0.3635 ( 1899 PWs) bands (ev): -13.4494 -13.4494 -2.5465 -2.5465 -2.1829 -2.1829 -1.3479 -1.3479 0.0660 0.0660 8.4970 8.4970 10.3027 10.3027 10.4796 10.4796 k = 0.6679-0.1361 0.3739 ( 1899 PWs) bands (ev): -13.4507 -13.4507 -2.5639 -2.5639 -2.1921 -2.1921 -1.2988 -1.2988 0.0546 0.0546 8.4393 8.4393 10.3677 10.3677 10.5768 10.5768 k = 0.6609-0.1330 0.3843 ( 1901 PWs) bands (ev): -13.4519 -13.4519 -2.5800 -2.5800 -2.2000 -2.2000 -1.2542 -1.2542 0.0451 0.0451 8.3890 8.3890 10.4281 10.4281 10.6789 10.6789 k = 0.6539-0.1298 0.3948 ( 1903 PWs) bands (ev): -13.4532 -13.4532 -2.5948 -2.5948 -2.2066 -2.2066 -1.2152 -1.2152 0.0384 0.0384 8.3460 8.3460 10.4834 10.4834 10.7858 10.7858 k = 0.6469-0.1267 0.4052 ( 1899 PWs) bands (ev): -13.4544 -13.4544 -2.6083 -2.6083 -2.2120 -2.2120 -1.1826 -1.1826 0.0356 0.0356 8.3105 8.3105 10.5330 10.5330 10.8973 10.8973 k = 0.6400-0.1235 0.4157 ( 1903 PWs) bands (ev): -13.4555 -13.4555 -2.6204 -2.6204 -2.2160 -2.2160 -1.1576 -1.1576 0.0375 0.0375 8.2825 8.2825 10.5764 10.5764 11.0133 11.0133 k = 0.6330-0.1204 0.4261 ( 1903 PWs) bands (ev): -13.4567 -13.4567 -2.6311 -2.6311 -2.2187 -2.2187 -1.1406 -1.1406 0.0448 0.0448 8.2619 8.2619 10.6132 10.6132 11.1334 11.1334 k = 0.6260-0.1173 0.4366 ( 1902 PWs) bands (ev): -13.4577 -13.4577 -2.6405 -2.6405 -2.2201 -2.2201 -1.1322 -1.1322 0.0579 0.0579 8.2486 8.2486 10.6431 10.6431 11.2574 11.2574 k = 0.6190-0.1141 0.4470 ( 1908 PWs) bands (ev): -13.4587 -13.4587 -2.6486 -2.6486 -2.2202 -2.2202 -1.1324 -1.1324 0.0769 0.0769 8.2427 8.2427 10.6659 10.6659 11.3843 11.3843 k = 0.6120-0.1110 0.4575 ( 1902 PWs) bands (ev): -13.4597 -13.4597 -2.6554 -2.6554 -2.2190 -2.2190 -1.1408 -1.1408 0.1016 0.1016 8.2441 8.2441 10.6814 10.6814 11.5116 11.5116 k = 0.6050-0.1078 0.4679 ( 1904 PWs) bands (ev): -13.4606 -13.4606 -2.6609 -2.6609 -2.2166 -2.2166 -1.1567 -1.1567 0.1313 0.1313 8.2525 8.2525 10.6895 10.6895 11.6032 11.6032 k = 0.5980-0.1047 0.4784 ( 1906 PWs) bands (ev): -13.4615 -13.4615 -2.6652 -2.6652 -2.2129 -2.2129 -1.1794 -1.1794 0.1652 0.1652 8.2678 8.2678 10.6903 10.6903 11.5188 11.5188 k = 0.5910-0.1015 0.4888 ( 1905 PWs) bands (ev): -13.4623 -13.4623 -2.6684 -2.6684 -2.2079 -2.2079 -1.2077 -1.2077 0.2025 0.2025 8.2898 8.2898 10.6840 10.6840 11.3969 11.3969 k = 0.5840-0.0984 0.4993 ( 1905 PWs) bands (ev): -13.4631 -13.4631 -2.6706 -2.6706 -2.2018 -2.2018 -1.2406 -1.2406 0.2423 0.2423 8.3183 8.3183 10.6707 10.6707 11.2751 11.2751 k = 0.5770-0.0952 0.5097 ( 1909 PWs) bands (ev): -13.4638 -13.4638 -2.6719 -2.6719 -2.1945 -2.1945 -1.2771 -1.2771 0.2838 0.2838 8.3528 8.3528 10.6508 10.6508 11.1562 11.1562 k = 0.5700-0.0921 0.5202 ( 1913 PWs) bands (ev): -13.4646 -13.4646 -2.6724 -2.6724 -2.1861 -2.1861 -1.3162 -1.3162 0.3261 0.3261 8.3932 8.3932 10.6247 10.6247 11.0413 11.0413 k = 0.5630-0.0890 0.5306 ( 1912 PWs) bands (ev): -13.4653 -13.4653 -2.6722 -2.6722 -2.1766 -2.1766 -1.3569 -1.3569 0.3686 0.3686 8.4390 8.4390 10.5928 10.5928 10.9308 10.9308 k = 0.5560-0.0858 0.5411 ( 1914 PWs) bands (ev): -13.4661 -13.4661 -2.6715 -2.6715 -2.1661 -2.1661 -1.3984 -1.3984 0.4107 0.4107 8.4895 8.4895 10.5556 10.5556 10.8253 10.8253 k = 0.5490-0.0827 0.5515 ( 1910 PWs) bands (ev): -13.4669 -13.4669 -2.6705 -2.6705 -2.1547 -2.1547 -1.4399 -1.4399 0.4519 0.4519 8.5444 8.5444 10.5136 10.5136 10.7251 10.7251 k = 0.5420-0.0795 0.5620 ( 1914 PWs) bands (ev): -13.4677 -13.4677 -2.6695 -2.6695 -2.1424 -2.1424 -1.4805 -1.4805 0.4917 0.4917 8.6028 8.6028 10.4672 10.4672 10.6306 10.6306 k = 0.5350-0.0764 0.5724 ( 1910 PWs) bands (ev): -13.4686 -13.4686 -2.6687 -2.6687 -2.1293 -2.1293 -1.5195 -1.5195 0.5298 0.5298 8.6639 8.6639 10.4170 10.4170 10.5425 10.5425 k = 0.5280-0.0732 0.5829 ( 1914 PWs) bands (ev): -13.4695 -13.4695 -2.6684 -2.6684 -2.1156 -2.1156 -1.5562 -1.5562 0.5659 0.5659 8.7265 8.7265 10.3637 10.3637 10.4611 10.4611 k = 0.5210-0.0701 0.5933 ( 1916 PWs) bands (ev): -13.4705 -13.4705 -2.6688 -2.6688 -2.1013 -2.1013 -1.5897 -1.5897 0.5997 0.5997 8.7896 8.7896 10.3081 10.3081 10.3870 10.3870 k = 0.5140-0.0670 0.6038 ( 1918 PWs) bands (ev): -13.4717 -13.4717 -2.6703 -2.6703 -2.0865 -2.0865 -1.6194 -1.6194 0.6310 0.6310 8.8516 8.8516 10.2510 10.2510 10.3207 10.3207 k = 0.5070-0.0638 0.6142 ( 1920 PWs) bands (ev): -13.4730 -13.4730 -2.6731 -2.6731 -2.0715 -2.0715 -1.6447 -1.6447 0.6597 0.6597 8.9107 8.9107 10.1928 10.1928 10.2635 10.2635 k = 0.5000-0.0607 0.6247 ( 1920 PWs) bands (ev): -13.4744 -13.4744 -2.6776 -2.6776 -2.0562 -2.0562 -1.6650 -1.6650 0.6856 0.6856 8.9650 8.9650 10.1331 10.1331 10.2174 10.2174 k = 0.5000 0.6156-0.1219 ( 1920 PWs) bands (ev): -13.4744 -13.4744 -2.6776 -2.6776 -2.0562 -2.0562 -1.6650 -1.6650 0.6856 0.6856 8.9650 8.9650 10.1331 10.1331 10.2174 10.2174 k = 0.5000 0.6051-0.1298 ( 1920 PWs) bands (ev): -13.4767 -13.4767 -2.6840 -2.6840 -2.0341 -2.0341 -1.6898 -1.6898 0.7187 0.7187 9.0422 9.0422 10.0412 10.0412 10.1644 10.1644 k = 0.5000 0.5945-0.1376 ( 1924 PWs) bands (ev): -13.4791 -13.4791 -2.6869 -2.6869 -2.0155 -2.0155 -1.7101 -1.7101 0.7442 0.7442 9.1200 9.1200 9.9480 9.9480 10.1252 10.1252 k = 0.5000 0.5839-0.1455 ( 1920 PWs) bands (ev): -13.4815 -13.4815 -2.6864 -2.6864 -2.0022 -2.0022 -1.7238 -1.7238 0.7618 0.7618 9.1979 9.1979 9.8544 9.8544 10.0997 10.0997 k = 0.5000 0.5734-0.1533 ( 1918 PWs) bands (ev): -13.4840 -13.4840 -2.6824 -2.6824 -1.9963 -1.9963 -1.7291 -1.7291 0.7714 0.7714 9.2753 9.2753 9.7613 9.7613 10.0879 10.0879 k = 0.5000 0.5628-0.1612 ( 1914 PWs) bands (ev): -13.4866 -13.4866 -2.6749 -2.6749 -1.9987 -1.9987 -1.7248 -1.7248 0.7729 0.7729 9.3508 9.3508 9.6704 9.6704 10.0898 10.0898 k = 0.5000 0.5522-0.1690 ( 1916 PWs) bands (ev): -13.4892 -13.4892 -2.6641 -2.6641 -2.0088 -2.0088 -1.7117 -1.7117 0.7662 0.7662 9.4176 9.4176 9.5882 9.5882 10.1054 10.1054 k = 0.5000 0.5417-0.1769 ( 1920 PWs) bands (ev): -13.4918 -13.4918 -2.6498 -2.6498 -2.0246 -2.0246 -1.6917 -1.6917 0.7514 0.7514 9.4308 9.4308 9.5601 9.5601 10.1347 10.1347 k = 0.5000 0.5311-0.1847 ( 1922 PWs) bands (ev): -13.4945 -13.4945 -2.6323 -2.6323 -2.0441 -2.0441 -1.6667 -1.6667 0.7288 0.7288 9.3618 9.3618 9.6146 9.6146 10.1773 10.1773 k = 0.5000 0.5205-0.1926 ( 1922 PWs) bands (ev): -13.4972 -13.4972 -2.6117 -2.6117 -2.0656 -2.0656 -1.6385 -1.6385 0.6985 0.6985 9.2757 9.2757 9.6868 9.6868 10.2332 10.2332 k = 0.5000 0.5100-0.2005 ( 1926 PWs) bands (ev): -13.4999 -13.4999 -2.5880 -2.5880 -2.0878 -2.0878 -1.6083 -1.6083 0.6608 0.6608 9.1874 9.1874 9.7616 9.7616 10.3018 10.3018 k = 0.5000 0.4994-0.2083 ( 1922 PWs) bands (ev): -13.5026 -13.5026 -2.5617 -2.5617 -2.1096 -2.1096 -1.5767 -1.5767 0.6162 0.6162 9.0996 9.0996 9.8367 9.8367 10.3830 10.3830 k = 0.5000 0.4888-0.2162 ( 1926 PWs) bands (ev): -13.5053 -13.5053 -2.5332 -2.5332 -2.1302 -2.1302 -1.5445 -1.5445 0.5649 0.5649 9.0132 9.0132 9.9111 9.9111 10.4758 10.4758 k = 0.5000 0.4783-0.2240 ( 1926 PWs) bands (ev): -13.5079 -13.5079 -2.5032 -2.5032 -2.1485 -2.1485 -1.5119 -1.5119 0.5076 0.5076 8.9286 8.9286 9.9843 9.9843 10.5798 10.5798 k = 0.5000 0.4677-0.2319 ( 1926 PWs) bands (ev): -13.5106 -13.5106 -2.4729 -2.4729 -2.1632 -2.1632 -1.4794 -1.4794 0.4447 0.4447 8.8464 8.8464 10.0562 10.0562 10.6944 10.6944 k = 0.5000 0.4571-0.2397 ( 1922 PWs) bands (ev): -13.5131 -13.5131 -2.4441 -2.4441 -2.1722 -2.1722 -1.4473 -1.4473 0.3766 0.3766 8.7668 8.7668 10.1263 10.1263 10.8189 10.8189 k = 0.5000 0.4466-0.2476 ( 1924 PWs) bands (ev): -13.5156 -13.5156 -2.4195 -2.4195 -2.1727 -2.1727 -1.4157 -1.4157 0.3039 0.3039 8.6900 8.6900 10.1945 10.1945 10.9525 10.9525 k = 0.5000 0.4360-0.2554 ( 1920 PWs) bands (ev): -13.5180 -13.5180 -2.4024 -2.4024 -2.1616 -2.1616 -1.3850 -1.3850 0.2272 0.2272 8.6163 8.6163 10.2604 10.2604 11.0944 11.0944 k = 0.5000 0.4254-0.2633 ( 1914 PWs) bands (ev): -13.5203 -13.5203 -2.3943 -2.3943 -2.1372 -2.1372 -1.3552 -1.3552 0.1469 0.1469 8.5461 8.5461 10.3239 10.3239 11.2436 11.2436 k = 0.5000 0.4149-0.2712 ( 1914 PWs) bands (ev): -13.5226 -13.5226 -2.3940 -2.3940 -2.1007 -2.1007 -1.3266 -1.3266 0.0635 0.0635 8.4795 8.4795 10.3845 10.3845 11.3992 11.3992 k = 0.5000 0.4043-0.2790 ( 1920 PWs) bands (ev): -13.5247 -13.5247 -2.3991 -2.3991 -2.0546 -2.0546 -1.2993 -1.2993 -0.0225 -0.0225 8.4167 8.4167 10.4421 10.4421 11.5602 11.5602 k = 0.5000 0.3937-0.2869 ( 1920 PWs) bands (ev): -13.5267 -13.5267 -2.4073 -2.4073 -2.0014 -2.0014 -1.2735 -1.2735 -0.1106 -0.1106 8.3580 8.3580 10.4965 10.4965 11.7250 11.7250 k = 0.5000 0.3832-0.2947 ( 1928 PWs) bands (ev): -13.5285 -13.5285 -2.4168 -2.4168 -1.9427 -1.9427 -1.2493 -1.2493 -0.2003 -0.2003 8.3036 8.3036 10.5472 10.5472 11.8921 11.8921 k = 0.5000 0.3726-0.3026 ( 1922 PWs) bands (ev): -13.5302 -13.5302 -2.4267 -2.4267 -1.8797 -1.8797 -1.2269 -1.2269 -0.2911 -0.2911 8.2538 8.2538 10.5941 10.5941 12.0597 12.0597 k = 0.5000 0.3620-0.3104 ( 1918 PWs) bands (ev): -13.5318 -13.5318 -2.4364 -2.4364 -1.8131 -1.8131 -1.2063 -1.2063 -0.3827 -0.3827 8.2088 8.2088 10.6369 10.6369 12.2255 12.2255 k = 0.5000 0.3515-0.3183 ( 1914 PWs) bands (ev): -13.5332 -13.5332 -2.4455 -2.4455 -1.7437 -1.7437 -1.1877 -1.1877 -0.4745 -0.4745 8.1686 8.1686 10.6754 10.6754 12.3861 12.3861 k = 0.5000 0.3409-0.3261 ( 1914 PWs) bands (ev): -13.5344 -13.5344 -2.4537 -2.4537 -1.6721 -1.6721 -1.1711 -1.1711 -0.5659 -0.5659 8.1334 8.1334 10.7093 10.7093 12.5380 12.5380 k = 0.5000 0.3303-0.3340 ( 1910 PWs) bands (ev): -13.5354 -13.5354 -2.4608 -2.4608 -1.5991 -1.5991 -1.1563 -1.1563 -0.6564 -0.6564 8.1034 8.1034 10.7383 10.7383 12.6764 12.6764 k = 0.5000 0.3198-0.3419 ( 1904 PWs) bands (ev): -13.5363 -13.5363 -2.4668 -2.4668 -1.5257 -1.5257 -1.1432 -1.1432 -0.7450 -0.7450 8.0788 8.0788 10.7624 10.7624 12.7963 12.7963 k = 0.5000 0.3092-0.3497 ( 1908 PWs) bands (ev): -13.5370 -13.5370 -2.4715 -2.4715 -1.4542 -1.4542 -1.1311 -1.1311 -0.8304 -0.8304 8.0594 8.0594 10.7813 10.7813 12.8928 12.8928 k = 0.5000 0.2986-0.3576 ( 1904 PWs) bands (ev): -13.5375 -13.5375 -2.4749 -2.4749 -1.3888 -1.3888 -1.1184 -1.1184 -0.9097 -0.9097 8.0455 8.0455 10.7949 10.7949 12.9628 12.9628 k = 0.5000 0.2881-0.3654 ( 1904 PWs) bands (ev): -13.5378 -13.5378 -2.4769 -2.4769 -1.3385 -1.3385 -1.1026 -1.1026 -0.9764 -0.9764 8.0372 8.0372 10.8031 10.8031 13.0048 13.0048 k = 0.5000 0.2775-0.3733 ( 1904 PWs) bands (ev): -13.5379 -13.5379 -2.4776 -2.4776 -1.3187 -1.3187 -1.0903 -1.0903 -1.0089 -1.0089 8.0344 8.0344 10.8058 10.8058 13.0188 13.0188 k = 0.0000 0.5982 0.4447 ( 1900 PWs) bands (ev): -13.4339 -13.4339 -2.5274 -2.5274 -1.5622 -1.5622 -1.1742 -1.1742 -1.1296 -1.1296 7.7419 7.7419 11.6992 11.6992 12.7493 12.7493 k = 0.0096 0.6035 0.4375 ( 1900 PWs) bands (ev): -13.4339 -13.4339 -2.5268 -2.5268 -1.5642 -1.5642 -1.2163 -1.2163 -1.0852 -1.0852 7.7449 7.7449 11.6944 11.6944 12.5939 12.5939 k = 0.0193 0.6089 0.4303 ( 1900 PWs) bands (ev): -13.4339 -13.4339 -2.5249 -2.5249 -1.5703 -1.5703 -1.2722 -1.2722 -1.0226 -1.0226 7.7540 7.7540 11.6802 11.6802 12.4252 12.4252 k = 0.0289 0.6142 0.4231 ( 1896 PWs) bands (ev): -13.4339 -13.4339 -2.5217 -2.5217 -1.5809 -1.5809 -1.3257 -1.3257 -0.9574 -0.9574 7.7691 7.7691 11.6566 11.6566 12.2541 12.2541 k = 0.0386 0.6196 0.4159 ( 1892 PWs) bands (ev): -13.4340 -13.4340 -2.5174 -2.5174 -1.5965 -1.5965 -1.3752 -1.3752 -0.8909 -0.8909 7.7901 7.7901 11.6237 11.6237 12.0824 12.0824 k = 0.0482 0.6249 0.4087 ( 1904 PWs) bands (ev): -13.4340 -13.4340 -2.5118 -2.5118 -1.6175 -1.6175 -1.4195 -1.4195 -0.8236 -0.8236 7.8170 7.8170 11.5812 11.5812 11.9118 11.9118 k = 0.0579 0.6303 0.4015 ( 1900 PWs) bands (ev): -13.4340 -13.4340 -2.5051 -2.5051 -1.6443 -1.6443 -1.4582 -1.4582 -0.7559 -0.7559 7.8498 7.8498 11.5283 11.5283 11.7447 11.7447 k = 0.0675 0.6356 0.3943 ( 1904 PWs) bands (ev): -13.4340 -13.4340 -2.4973 -2.4973 -1.6762 -1.6762 -1.4916 -1.4916 -0.6882 -0.6882 7.8882 7.8882 11.4608 11.4608 11.5866 11.5866 k = 0.0771 0.6410 0.3871 ( 1900 PWs) bands (ev): -13.4341 -13.4341 -2.4884 -2.4884 -1.7118 -1.7118 -1.5207 -1.5207 -0.6207 -0.6207 7.9323 7.9323 11.3607 11.3607 11.4572 11.4572 k = 0.0868 0.6463 0.3799 ( 1896 PWs) bands (ev): -13.4341 -13.4341 -2.4785 -2.4785 -1.7493 -1.7493 -1.5470 -1.5470 -0.5539 -0.5539 7.9819 7.9819 11.2209 11.2209 11.3645 11.3645 k = 0.0964 0.6517 0.3727 ( 1896 PWs) bands (ev): -13.4342 -13.4342 -2.4677 -2.4677 -1.7873 -1.7873 -1.5717 -1.5717 -0.4880 -0.4880 8.0367 8.0367 11.0713 11.0713 11.2801 11.2801 k = 0.1061 0.6570 0.3655 ( 1896 PWs) bands (ev): -13.4343 -13.4343 -2.4560 -2.4560 -1.8246 -1.8246 -1.5958 -1.5958 -0.4234 -0.4234 8.0967 8.0967 10.9237 10.9237 11.1933 11.1933 k = 0.1157 0.6624 0.3583 ( 1900 PWs) bands (ev): -13.4343 -13.4343 -2.4438 -2.4438 -1.8604 -1.8604 -1.6196 -1.6196 -0.3605 -0.3605 8.1617 8.1617 10.7810 10.7810 11.1023 11.1023 k = 0.1254 0.6677 0.3511 ( 1900 PWs) bands (ev): -13.4345 -13.4345 -2.4310 -2.4310 -1.8940 -1.8940 -1.6436 -1.6436 -0.2997 -0.2997 8.2315 8.2315 10.6446 10.6446 11.0069 11.0069 k = 0.1350 0.6731 0.3439 ( 1904 PWs) bands (ev): -13.4346 -13.4346 -2.4178 -2.4178 -1.9250 -1.9250 -1.6678 -1.6678 -0.2412 -0.2412 8.3059 8.3059 10.5153 10.5153 10.9075 10.9075 k = 0.1447 0.6784 0.3367 ( 1904 PWs) bands (ev): -13.4347 -13.4347 -2.4046 -2.4046 -1.9529 -1.9529 -1.6922 -1.6922 -0.1855 -0.1855 8.3846 8.3846 10.3938 10.3938 10.8044 10.8044 k = 0.1543 0.6838 0.3295 ( 1908 PWs) bands (ev): -13.4349 -13.4349 -2.3915 -2.3915 -1.9775 -1.9775 -1.7169 -1.7169 -0.1329 -0.1329 8.4675 8.4675 10.2807 10.2807 10.6981 10.6981 k = 0.1639 0.6891 0.3223 ( 1902 PWs) bands (ev): -13.4351 -13.4351 -2.3789 -2.3789 -1.9983 -1.9983 -1.7417 -1.7417 -0.0838 -0.0838 8.5545 8.5545 10.1765 10.1765 10.5891 10.5891 k = 0.1736 0.6945 0.3151 ( 1910 PWs) bands (ev): -13.4353 -13.4353 -2.3671 -2.3671 -2.0151 -2.0151 -1.7664 -1.7664 -0.0387 -0.0387 8.6450 8.6450 10.0817 10.0817 10.4777 10.4777 k = 0.1832 0.6998 0.3079 ( 1908 PWs) bands (ev): -13.4355 -13.4355 -2.3565 -2.3565 -2.0276 -2.0276 -1.7908 -1.7908 0.0023 0.0023 8.7390 8.7390 9.9968 9.9968 10.3646 10.3646 k = 0.1929 0.7052 0.3007 ( 1912 PWs) bands (ev): -13.4358 -13.4358 -2.3473 -2.3473 -2.0358 -2.0358 -1.8147 -1.8147 0.0387 0.0387 8.8362 8.8362 9.9221 9.9221 10.2501 10.2501 k = 0.2025 0.7106 0.2935 ( 1910 PWs) bands (ev): -13.4360 -13.4360 -2.3397 -2.3397 -2.0398 -2.0398 -1.8376 -1.8376 0.0703 0.0703 8.9363 8.9363 9.8581 9.8581 10.1348 10.1348 k = 0.2122 0.7159 0.2863 ( 1910 PWs) bands (ev): -13.4364 -13.4364 -2.3338 -2.3338 -2.0399 -2.0399 -1.8591 -1.8591 0.0967 0.0967 9.0389 9.0389 9.8050 9.8050 10.0190 10.0190 k = 0.2218 0.7213 0.2791 ( 1906 PWs) bands (ev): -13.4367 -13.4367 -2.3295 -2.3295 -2.0371 -2.0371 -1.8783 -1.8783 0.1178 0.1178 9.1437 9.1437 9.7631 9.7631 9.9035 9.9035 k = 0.2314 0.7266 0.2719 ( 1906 PWs) bands (ev): -13.4370 -13.4370 -2.3264 -2.3264 -2.0327 -2.0327 -1.8940 -1.8940 0.1333 0.1333 9.2500 9.2500 9.7325 9.7325 9.7886 9.7886 k = 0.2411 0.7320 0.2647 ( 1906 PWs) bands (ev): -13.4374 -13.4374 -2.3245 -2.3245 -2.0284 -2.0284 -1.9046 -1.9046 0.1431 0.1431 9.3567 9.3567 9.6754 9.6754 9.7142 9.7142 k = 0.7589-0.1770 0.2381 ( 1906 PWs) bands (ev): -13.4374 -13.4374 -2.3245 -2.3245 -2.0284 -2.0284 -1.9046 -1.9046 0.1431 0.1431 9.3567 9.3567 9.6754 9.6754 9.7142 9.7142 k = 0.7493-0.1823 0.2452 ( 1906 PWs) bands (ev): -13.4378 -13.4378 -2.3236 -2.3236 -2.0264 -2.0264 -1.9083 -1.9083 0.1471 0.1471 9.4539 9.4539 9.5746 9.5746 9.7069 9.7069 k = 0.7397-0.1876 0.2524 ( 1904 PWs) bands (ev): -13.4382 -13.4382 -2.3236 -2.3236 -2.0273 -2.0273 -1.9044 -1.9044 0.1454 0.1454 9.4306 9.4306 9.5968 9.5968 9.7115 9.7115 k = 0.7301-0.1929 0.2596 ( 1906 PWs) bands (ev): -13.4387 -13.4387 -2.3247 -2.3247 -2.0303 -2.0303 -1.8935 -1.8935 0.1379 0.1379 9.3271 9.3271 9.7012 9.7012 9.7279 9.7279 k = 0.7206-0.1983 0.2667 ( 1910 PWs) bands (ev): -13.4391 -13.4391 -2.3270 -2.3270 -2.0334 -2.0334 -1.8777 -1.8777 0.1248 0.1248 9.2202 9.2202 9.7550 9.7550 9.8123 9.8123 k = 0.7110-0.2036 0.2739 ( 1906 PWs) bands (ev): -13.4396 -13.4396 -2.3309 -2.3309 -2.0346 -2.0346 -1.8585 -1.8585 0.1061 0.1061 9.1144 9.1144 9.7941 9.7941 9.9240 9.9240 k = 0.7014-0.2089 0.2810 ( 1906 PWs) bands (ev): -13.4401 -13.4401 -2.3365 -2.3365 -2.0327 -2.0327 -1.8370 -1.8370 0.0820 0.0820 9.0108 9.0108 9.8444 9.8444 10.0358 10.0358 k = 0.6918-0.2142 0.2882 ( 1906 PWs) bands (ev): -13.4406 -13.4406 -2.3439 -2.3439 -2.0268 -2.0268 -1.8141 -1.8141 0.0528 0.0528 8.9097 8.9097 9.9056 9.9056 10.1472 10.1472 k = 0.6822-0.2196 0.2953 ( 1906 PWs) bands (ev): -13.4411 -13.4411 -2.3531 -2.3531 -2.0166 -2.0166 -1.7903 -1.7903 0.0187 0.0187 8.8117 8.8117 9.9774 9.9774 10.2576 10.2576 k = 0.6726-0.2249 0.3025 ( 1906 PWs) bands (ev): -13.4416 -13.4416 -2.3638 -2.3638 -2.0020 -2.0020 -1.7659 -1.7659 -0.0201 -0.0201 8.7169 8.7169 10.0594 10.0594 10.3666 10.3666 k = 0.6630-0.2302 0.3097 ( 1902 PWs) bands (ev): -13.4421 -13.4421 -2.3757 -2.3757 -1.9833 -1.9833 -1.7412 -1.7412 -0.0631 -0.0631 8.6256 8.6256 10.1514 10.1514 10.4738 10.4738 k = 0.6534-0.2355 0.3168 ( 1902 PWs) bands (ev): -13.4426 -13.4426 -2.3884 -2.3884 -1.9607 -1.9607 -1.7164 -1.7164 -0.1101 -0.1101 8.5381 8.5381 10.2528 10.2528 10.5787 10.5787 k = 0.6438-0.2408 0.3240 ( 1900 PWs) bands (ev): -13.4431 -13.4431 -2.4016 -2.4016 -1.9345 -1.9345 -1.6917 -1.6917 -0.1608 -0.1608 8.4546 8.4546 10.3632 10.3632 10.6808 10.6808 k = 0.6342-0.2462 0.3311 ( 1898 PWs) bands (ev): -13.4436 -13.4436 -2.4149 -2.4149 -1.9051 -1.9051 -1.6670 -1.6670 -0.2147 -0.2147 8.3754 8.3754 10.4821 10.4821 10.7798 10.7798 k = 0.6247-0.2515 0.3383 ( 1898 PWs) bands (ev): -13.4441 -13.4441 -2.4280 -2.4280 -1.8730 -1.8730 -1.6425 -1.6425 -0.2715 -0.2715 8.3006 8.3006 10.6087 10.6087 10.8753 10.8753 k = 0.6151-0.2568 0.3455 ( 1906 PWs) bands (ev): -13.4446 -13.4446 -2.4409 -2.4409 -1.8385 -1.8385 -1.6181 -1.6181 -0.3308 -0.3308 8.2305 8.2305 10.7424 10.7424 10.9670 10.9670 k = 0.6055-0.2621 0.3526 ( 1902 PWs) bands (ev): -13.4450 -13.4450 -2.4531 -2.4531 -1.8023 -1.8023 -1.5934 -1.5934 -0.3923 -0.3923 8.1652 8.1652 10.8819 10.8819 11.0552 11.0552 k = 0.5959-0.2675 0.3598 ( 1902 PWs) bands (ev): -13.4454 -13.4454 -2.4647 -2.4647 -1.7651 -1.7651 -1.5681 -1.5681 -0.4555 -0.4555 8.1050 8.1050 11.0239 11.0239 11.1420 11.1420 k = 0.5863-0.2728 0.3669 ( 1898 PWs) bands (ev): -13.4458 -13.4458 -2.4755 -2.4755 -1.7280 -1.7280 -1.5415 -1.5415 -0.5202 -0.5202 8.0500 8.0500 11.1557 11.1557 11.2391 11.2391 k = 0.5767-0.2781 0.3741 ( 1906 PWs) bands (ev): -13.4461 -13.4461 -2.4854 -2.4854 -1.6922 -1.6922 -1.5125 -1.5125 -0.5860 -0.5860 8.0002 8.0002 11.2507 11.2507 11.3719 11.3719 k = 0.5671-0.2834 0.3813 ( 1900 PWs) bands (ev): -13.4465 -13.4465 -2.4942 -2.4942 -1.6595 -1.6595 -1.4798 -1.4798 -0.6525 -0.6525 7.9561 7.9561 11.3199 11.3199 11.5283 11.5283 k = 0.5575-0.2887 0.3884 ( 1900 PWs) bands (ev): -13.4467 -13.4467 -2.5020 -2.5020 -1.6311 -1.6311 -1.4423 -1.4423 -0.7193 -0.7193 7.9175 7.9175 11.3771 11.3771 11.6932 11.6932 k = 0.5479-0.2941 0.3956 ( 1904 PWs) bands (ev): -13.4470 -13.4470 -2.5087 -2.5087 -1.6079 -1.6079 -1.3996 -1.3996 -0.7862 -0.7862 7.8847 7.8847 11.4252 11.4252 11.8625 11.8625 k = 0.5384-0.2994 0.4027 ( 1908 PWs) bands (ev): -13.4472 -13.4472 -2.5142 -2.5142 -1.5898 -1.5898 -1.3520 -1.3520 -0.8527 -0.8527 7.8576 7.8576 11.4647 11.4647 12.0343 12.0343 k = 0.5288-0.3047 0.4099 ( 1912 PWs) bands (ev): -13.4473 -13.4473 -2.5186 -2.5186 -1.5765 -1.5765 -1.3005 -1.3005 -0.9182 -0.9182 7.8365 7.8365 11.4956 11.4956 12.2073 12.2073 k = 0.5192-0.3100 0.4170 ( 1912 PWs) bands (ev): -13.4475 -13.4475 -2.5217 -2.5217 -1.5673 -1.5673 -1.2467 -1.2467 -0.9818 -0.9818 7.8214 7.8214 11.5178 11.5178 12.3799 12.3799 k = 0.5096-0.3154 0.4242 ( 1920 PWs) bands (ev): -13.4475 -13.4475 -2.5236 -2.5236 -1.5620 -1.5620 -1.1940 -1.1940 -1.0401 -1.0401 7.8123 7.8123 11.5312 11.5312 12.5504 12.5504 k = 0.5000-0.3207 0.4314 ( 1920 PWs) bands (ev): -13.4476 -13.4476 -2.5242 -2.5242 -1.5603 -1.5603 -1.1628 -1.1628 -1.0731 -1.0731 7.8093 7.8093 11.5357 11.5357 12.6956 12.6956 k = 0.5000 0.2775 0.2514 ( 1920 PWs) bands (ev): -13.5631 -13.5631 -3.7489 -3.7489 -0.9932 -0.9932 -0.5961 -0.5961 1.4381 1.4381 6.5320 6.5320 9.2391 9.2391 9.8370 9.8370 k = 0.4896 0.2717 0.2461 ( 1923 PWs) bands (ev): -13.5635 -13.5635 -3.7472 -3.7472 -0.9930 -0.9930 -0.5959 -0.5959 1.4370 1.4370 6.5344 6.5344 9.2407 9.2407 9.8388 9.8388 k = 0.4792 0.2659 0.2409 ( 1922 PWs) bands (ev): -13.5647 -13.5647 -3.7420 -3.7420 -0.9923 -0.9923 -0.5954 -0.5954 1.4338 1.4338 6.5417 6.5417 9.2455 9.2455 9.8441 9.8441 k = 0.4688 0.2601 0.2357 ( 1924 PWs) bands (ev): -13.5666 -13.5666 -3.7334 -3.7334 -0.9910 -0.9910 -0.5945 -0.5945 1.4284 1.4284 6.5538 6.5538 9.2535 9.2535 9.8529 9.8529 k = 0.4583 0.2544 0.2304 ( 1926 PWs) bands (ev): -13.5693 -13.5693 -3.7215 -3.7215 -0.9893 -0.9893 -0.5933 -0.5933 1.4209 1.4209 6.5708 6.5708 9.2646 9.2646 9.8653 9.8653 k = 0.4479 0.2486 0.2252 ( 1927 PWs) bands (ev): -13.5727 -13.5727 -3.7061 -3.7061 -0.9872 -0.9872 -0.5918 -0.5918 1.4113 1.4113 6.5925 6.5925 9.2789 9.2789 9.8812 9.8812 k = 0.4375 0.2428 0.2200 ( 1924 PWs) bands (ev): -13.5768 -13.5768 -3.6874 -3.6874 -0.9845 -0.9845 -0.5899 -0.5899 1.3995 1.3995 6.6190 6.6190 9.2964 9.2964 9.9007 9.9007 k = 0.4271 0.2370 0.2147 ( 1922 PWs) bands (ev): -13.5816 -13.5816 -3.6654 -3.6654 -0.9815 -0.9815 -0.5877 -0.5877 1.3857 1.3857 6.6501 6.6501 9.3170 9.3170 9.9237 9.9237 k = 0.4167 0.2312 0.2095 ( 1921 PWs) bands (ev): -13.5872 -13.5872 -3.6402 -3.6402 -0.9779 -0.9779 -0.5851 -0.5851 1.3698 1.3698 6.6859 6.6859 9.3407 9.3407 9.9500 9.9500 k = 0.4062 0.2255 0.2042 ( 1920 PWs) bands (ev): -13.5933 -13.5933 -3.6117 -3.6117 -0.9740 -0.9740 -0.5822 -0.5822 1.3518 1.3518 6.7262 6.7262 9.3675 9.3675 9.9798 9.9798 k = 0.3958 0.2197 0.1990 ( 1921 PWs) bands (ev): -13.6001 -13.6001 -3.5800 -3.5800 -0.9697 -0.9697 -0.5790 -0.5790 1.3318 1.3318 6.7710 6.7710 9.3973 9.3973 10.0130 10.0130 k = 0.3854 0.2139 0.1938 ( 1920 PWs) bands (ev): -13.6074 -13.6074 -3.5452 -3.5452 -0.9650 -0.9650 -0.5755 -0.5755 1.3098 1.3098 6.8201 6.8201 9.4302 9.4302 10.0496 10.0496 k = 0.3750 0.2081 0.1885 ( 1922 PWs) bands (ev): -13.6153 -13.6153 -3.5074 -3.5074 -0.9600 -0.9600 -0.5717 -0.5717 1.2858 1.2858 6.8735 6.8735 9.4659 9.4659 10.0893 10.0893 k = 0.3646 0.2023 0.1833 ( 1921 PWs) bands (ev): -13.6237 -13.6237 -3.4666 -3.4666 -0.9546 -0.9546 -0.5675 -0.5675 1.2598 1.2598 6.9312 6.9312 9.5046 9.5046 10.1323 10.1323 k = 0.3542 0.1966 0.1781 ( 1920 PWs) bands (ev): -13.6326 -13.6326 -3.4229 -3.4229 -0.9490 -0.9490 -0.5631 -0.5631 1.2319 1.2319 6.9928 6.9928 9.5460 9.5460 10.1784 10.1784 k = 0.3438 0.1908 0.1728 ( 1919 PWs) bands (ev): -13.6418 -13.6418 -3.3763 -3.3763 -0.9431 -0.9431 -0.5583 -0.5583 1.2020 1.2020 7.0585 7.0585 9.5902 9.5902 10.2276 10.2276 k = 0.3333 0.1850 0.1676 ( 1920 PWs) bands (ev): -13.6515 -13.6515 -3.3271 -3.3271 -0.9369 -0.9369 -0.5533 -0.5533 1.1702 1.1702 7.1279 7.1279 9.6370 9.6370 10.2796 10.2796 k = 0.3229 0.1792 0.1623 ( 1921 PWs) bands (ev): -13.6615 -13.6615 -3.2752 -3.2752 -0.9306 -0.9306 -0.5481 -0.5481 1.1366 1.1366 7.2011 7.2011 9.6864 9.6864 10.3344 10.3344 k = 0.3125 0.1734 0.1571 ( 1919 PWs) bands (ev): -13.6717 -13.6717 -3.2207 -3.2207 -0.9241 -0.9241 -0.5425 -0.5425 1.1011 1.1011 7.2778 7.2778 9.7380 9.7380 10.3918 10.3918 k = 0.3021 0.1676 0.1519 ( 1919 PWs) bands (ev): -13.6822 -13.6822 -3.1637 -3.1637 -0.9174 -0.9174 -0.5368 -0.5368 1.0637 1.0637 7.3578 7.3578 9.7919 9.7919 10.4516 10.4516 k = 0.2917 0.1619 0.1466 ( 1920 PWs) bands (ev): -13.6929 -13.6929 -3.1044 -3.1044 -0.9107 -0.9107 -0.5308 -0.5308 1.0244 1.0244 7.4411 7.4411 9.8478 9.8478 10.5135 10.5135 k = 0.2812 0.1561 0.1414 ( 1920 PWs) bands (ev): -13.7037 -13.7037 -3.0428 -3.0428 -0.9039 -0.9039 -0.5246 -0.5246 0.9834 0.9834 7.5274 7.5274 9.9053 9.9053 10.5771 10.5771 k = 0.2708 0.1503 0.1362 ( 1921 PWs) bands (ev): -13.7146 -13.7146 -2.9791 -2.9791 -0.8971 -0.8971 -0.5182 -0.5182 0.9405 0.9405 7.6165 7.6165 9.9642 9.9642 10.6421 10.6421 k = 0.2604 0.1445 0.1309 ( 1920 PWs) bands (ev): -13.7256 -13.7256 -2.9133 -2.9133 -0.8903 -0.8903 -0.5117 -0.5117 0.8958 0.8958 7.7082 7.7082 10.0240 10.0240 10.7075 10.7075 k = 0.2500 0.1387 0.1257 ( 1918 PWs) bands (ev): -13.7365 -13.7365 -2.8456 -2.8456 -0.8835 -0.8835 -0.5051 -0.5051 0.8494 0.8494 7.8022 7.8022 10.0842 10.0842 10.7716 10.7716 k = 0.2396 0.1330 0.1205 ( 1921 PWs) bands (ev): -13.7474 -13.7474 -2.7760 -2.7760 -0.8769 -0.8769 -0.4983 -0.4983 0.8012 0.8012 7.8982 7.8982 10.1439 10.1439 10.8194 10.8194 k = 0.2292 0.1272 0.1152 ( 1918 PWs) bands (ev): -13.7582 -13.7582 -2.7047 -2.7047 -0.8704 -0.8704 -0.4915 -0.4915 0.7513 0.7513 7.9959 7.9959 10.2022 10.2022 10.7862 10.7862 k = 0.2188 0.1214 0.1100 ( 1915 PWs) bands (ev): -13.7689 -13.7689 -2.6318 -2.6318 -0.8640 -0.8640 -0.4846 -0.4846 0.6997 0.6997 8.0949 8.0949 10.2574 10.2574 10.7372 10.7372 k = 0.2083 0.1156 0.1047 ( 1915 PWs) bands (ev): -13.7793 -13.7793 -2.5574 -2.5574 -0.8579 -0.8579 -0.4777 -0.4777 0.6464 0.6464 8.1946 8.1946 10.3071 10.3071 10.6958 10.6958 k = 0.1979 0.1098 0.0995 ( 1915 PWs) bands (ev): -13.7896 -13.7896 -2.4817 -2.4817 -0.8520 -0.8520 -0.4708 -0.4708 0.5916 0.5916 8.2946 8.2946 10.3480 10.3480 10.6662 10.6662 k = 0.1875 0.1041 0.0943 ( 1916 PWs) bands (ev): -13.7995 -13.7995 -2.4047 -2.4047 -0.8464 -0.8464 -0.4640 -0.4640 0.5352 0.5352 8.3943 8.3943 10.3757 10.3757 10.6524 10.6524 k = 0.1771 0.0983 0.0890 ( 1915 PWs) bands (ev): -13.8092 -13.8092 -2.3267 -2.3267 -0.8412 -0.8412 -0.4573 -0.4573 0.4773 0.4773 8.4928 8.4928 10.3884 10.3884 10.6557 10.6557 k = 0.1667 0.0925 0.0838 ( 1914 PWs) bands (ev): -13.8185 -13.8185 -2.2477 -2.2477 -0.8364 -0.8364 -0.4507 -0.4507 0.4181 0.4181 8.5895 8.5895 10.3893 10.3893 10.6722 10.6722 k = 0.1562 0.0867 0.0786 ( 1915 PWs) bands (ev): -13.8274 -13.8274 -2.1679 -2.1679 -0.8321 -0.8321 -0.4443 -0.4443 0.3575 0.3575 8.6832 8.6832 10.3846 10.3846 10.6953 10.6953 k = 0.1458 0.0809 0.0733 ( 1914 PWs) bands (ev): -13.8360 -13.8360 -2.0874 -2.0874 -0.8283 -0.8283 -0.4381 -0.4381 0.2959 0.2959 8.7731 8.7731 10.3796 10.3796 10.7194 10.7194 k = 0.1354 0.0752 0.0681 ( 1916 PWs) bands (ev): -13.8440 -13.8440 -2.0064 -2.0064 -0.8252 -0.8252 -0.4321 -0.4321 0.2332 0.2332 8.8579 8.8579 10.3773 10.3773 10.7418 10.7418 k = 0.1250 0.0694 0.0628 ( 1916 PWs) bands (ev): -13.8516 -13.8516 -1.9252 -1.9252 -0.8229 -0.8229 -0.4265 -0.4265 0.1699 0.1699 8.9366 8.9366 10.3794 10.3794 10.7615 10.7615 k = 0.1146 0.0636 0.0576 ( 1916 PWs) bands (ev): -13.8587 -13.8587 -1.8437 -1.8437 -0.8215 -0.8215 -0.4213 -0.4213 0.1060 0.1060 9.0083 9.0083 10.3862 10.3862 10.7792 10.7792 k = 0.1042 0.0578 0.0524 ( 1919 PWs) bands (ev): -13.8653 -13.8653 -1.7624 -1.7624 -0.8212 -0.8212 -0.4164 -0.4164 0.0420 0.0420 9.0720 9.0720 10.3970 10.3970 10.7962 10.7962 k = 0.0938 0.0520 0.0471 ( 1920 PWs) bands (ev): -13.8713 -13.8713 -1.6814 -1.6814 -0.8223 -0.8223 -0.4121 -0.4121 -0.0216 -0.0216 9.1275 9.1275 10.4105 10.4105 10.8146 10.8146 k = 0.0833 0.0462 0.0419 ( 1919 PWs) bands (ev): -13.8768 -13.8768 -1.6009 -1.6009 -0.8252 -0.8252 -0.4083 -0.4083 -0.0841 -0.0841 9.1746 9.1746 10.4248 10.4248 10.8360 10.8360 k = 0.0729 0.0405 0.0367 ( 1918 PWs) bands (ev): -13.8816 -13.8816 -1.5214 -1.5214 -0.8304 -0.8304 -0.4052 -0.4052 -0.1447 -0.1447 9.2136 9.2136 10.4381 10.4381 10.8617 10.8617 k = 0.0625 0.0347 0.0314 ( 1919 PWs) bands (ev): -13.8858 -13.8858 -1.4433 -1.4433 -0.8386 -0.8386 -0.4031 -0.4031 -0.2021 -0.2021 9.2452 9.2452 10.4490 10.4490 10.8912 10.8912 k = 0.0521 0.0289 0.0262 ( 1919 PWs) bands (ev): -13.8894 -13.8894 -1.3670 -1.3670 -0.8507 -0.8507 -0.4024 -0.4024 -0.2545 -0.2545 9.2702 9.2702 10.4569 10.4569 10.9225 10.9225 k = 0.0417 0.0231 0.0209 ( 1917 PWs) bands (ev): -13.8924 -13.8924 -1.2934 -1.2934 -0.8678 -0.8678 -0.4040 -0.4040 -0.2991 -0.2991 9.2892 9.2892 10.4620 10.4620 10.9523 10.9523 k = 0.0312 0.0173 0.0157 ( 1916 PWs) bands (ev): -13.8947 -13.8947 -1.2237 -1.2237 -0.8906 -0.8906 -0.4094 -0.4094 -0.3326 -0.3326 9.3032 9.3032 10.4650 10.4650 10.9763 10.9763 k = 0.0208 0.0116 0.0105 ( 1914 PWs) bands (ev): -13.8964 -13.8964 -1.1598 -1.1598 -0.9192 -0.9192 -0.4192 -0.4192 -0.3522 -0.3522 9.3128 9.3128 10.4665 10.4665 10.9920 10.9920 k = 0.0104 0.0058 0.0052 ( 1916 PWs) bands (ev): -13.8974 -13.8974 -1.1069 -1.1069 -0.9503 -0.9503 -0.4289 -0.4289 -0.3608 -0.3608 9.3183 9.3183 10.4671 10.4671 10.9997 10.9997 k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -13.8977 -13.8977 -1.0821 -1.0821 -0.9677 -0.9677 -0.4329 -0.4329 -0.3631 -0.3631 9.3201 9.3201 10.4672 10.4672 11.0019 11.0019 Writing output data file HBr.save init_run : 1.68s CPU 11.25s WALL ( 1 calls) electrons : 119.34s CPU 124.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.19s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 119.31s CPU 123.74s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.13s WALL ( 1 calls) v_xc : 0.03s CPU 0.51s WALL ( 1 calls) newd : 0.18s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 510 calls) cegterg : 82.26s CPU 83.27s WALL ( 817 calls) Called by sum_band: Called by *egterg: h_psi : 46.51s CPU 53.86s WALL ( 14253 calls) s_psi : 0.67s CPU 0.66s WALL ( 14253 calls) g_psi : 0.06s CPU 0.13s WALL ( 12926 calls) cdiaghg : 19.60s CPU 18.46s WALL ( 13436 calls) cegterg:over : 6.38s CPU 4.89s WALL ( 12926 calls) cegterg:upda : 0.36s CPU 0.87s WALL ( 12926 calls) cegterg:last : 0.18s CPU 0.60s WALL ( 2401 calls) Called by h_psi: h_psi:vloc : 44.28s CPU 50.57s WALL ( 14253 calls) h_psi:vnl : 2.20s CPU 3.20s WALL ( 14253 calls) add_vuspsi : 0.51s CPU 0.54s WALL ( 14253 calls) General routines calbec : 1.65s CPU 2.58s WALL ( 14253 calls) fft : 0.18s CPU 0.99s WALL ( 19 calls) ffts : 0.03s CPU 0.09s WALL ( 4 calls) fftw : 42.76s CPU 48.43s WALL ( 464712 calls) interpolate : 0.04s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.50s WALL ( 1020 calls) Parallel routines fft_scatter : 30.46s CPU 33.84s WALL ( 464735 calls) PWSCF : 2m29.03s CPU 4m 4.20s WALL This run was terminated on: 3:37:50 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=