Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:59:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiPxHOx2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 80 80 22 4083 4083 582 Max 81 81 23 4089 4089 585 Sum 2905 2905 793 147107 147107 21003 bravais-lattice index = 14 lattice parameter (alat) = 10.1648 a.u. unit-cell volume = 1041.7135 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 4 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.164752 celldm(2)= 1.000000 celldm(3)= 1.216444 celldm(4)= 0.272475 celldm(5)= 0.272475 celldm(6)= 0.512609 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.512609 0.858622 0.000000 ) a(3) = ( 0.331451 0.188146 1.155196 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.597013 -0.189687 ) b(2) = ( 0.000000 1.164657 -0.189687 ) b(3) = ( 0.000000 0.000000 0.865654 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0138889 0.0078839 -0.0052691), wk = 0.0033445 k( 3) = ( 0.0277778 0.0157679 -0.0105381), wk = 0.0033445 k( 4) = ( 0.0416667 0.0236518 -0.0158072), wk = 0.0033445 k( 5) = ( 0.0555556 0.0315357 -0.0210763), wk = 0.0033445 k( 6) = ( 0.0694444 0.0394197 -0.0263454), wk = 0.0033445 k( 7) = ( 0.0833333 0.0473036 -0.0316144), wk = 0.0033445 k( 8) = ( 0.0972222 0.0551875 -0.0368835), wk = 0.0033445 k( 9) = ( 0.1111111 0.0630715 -0.0421526), wk = 0.0033445 k( 10) = ( 0.1250000 0.0709554 -0.0474216), wk = 0.0033445 k( 11) = ( 0.1388889 0.0788393 -0.0526907), wk = 0.0033445 k( 12) = ( 0.1527778 0.0867233 -0.0579598), wk = 0.0033445 k( 13) = ( 0.1666667 0.0946072 -0.0632289), wk = 0.0033445 k( 14) = ( 0.1805556 0.1024911 -0.0684979), wk = 0.0033445 k( 15) = ( 0.1944444 0.1103751 -0.0737670), wk = 0.0033445 k( 16) = ( 0.2083333 0.1182590 -0.0790361), wk = 0.0033445 k( 17) = ( 0.2222222 0.1261429 -0.0843051), wk = 0.0033445 k( 18) = ( 0.2361111 0.1340269 -0.0895742), wk = 0.0033445 k( 19) = ( 0.2500000 0.1419108 -0.0948433), wk = 0.0033445 k( 20) = ( 0.2638889 0.1497947 -0.1001123), wk = 0.0033445 k( 21) = ( 0.2777778 0.1576787 -0.1053814), wk = 0.0033445 k( 22) = ( 0.2916667 0.1655626 -0.1106505), wk = 0.0033445 k( 23) = ( 0.3055556 0.1734466 -0.1159196), wk = 0.0033445 k( 24) = ( 0.3194444 0.1813305 -0.1211886), wk = 0.0033445 k( 25) = ( 0.3333333 0.1892144 -0.1264577), wk = 0.0033445 k( 26) = ( 0.3472222 0.1970984 -0.1317268), wk = 0.0033445 k( 27) = ( 0.3611111 0.2049823 -0.1369958), wk = 0.0033445 k( 28) = ( 0.3750000 0.2128662 -0.1422649), wk = 0.0033445 k( 29) = ( 0.3888889 0.2207502 -0.1475340), wk = 0.0033445 k( 30) = ( 0.4027778 0.2286341 -0.1528031), wk = 0.0033445 k( 31) = ( 0.4166667 0.2365180 -0.1580721), wk = 0.0033445 k( 32) = ( 0.4305556 0.2444020 -0.1633412), wk = 0.0033445 k( 33) = ( 0.4444444 0.2522859 -0.1686103), wk = 0.0033445 k( 34) = ( 0.4583333 0.2601698 -0.1738793), wk = 0.0033445 k( 35) = ( 0.4722222 0.2680538 -0.1791484), wk = 0.0033445 k( 36) = ( 0.4861111 0.2759377 -0.1844175), wk = 0.0033445 k( 37) = ( 0.5000000 0.2838216 -0.1896865), wk = 0.0033445 k( 38) = ( 0.5000000 0.2838216 -0.1896865), wk = 0.0033445 k( 39) = ( 0.5046508 0.2864616 -0.1734772), wk = 0.0033445 k( 40) = ( 0.5093016 0.2891016 -0.1572678), wk = 0.0033445 k( 41) = ( 0.5139524 0.2917416 -0.1410585), wk = 0.0033445 k( 42) = ( 0.5186033 0.2943816 -0.1248491), wk = 0.0033445 k( 43) = ( 0.5232541 0.2970216 -0.1086398), wk = 0.0033445 k( 44) = ( 0.5279049 0.2996616 -0.0924304), wk = 0.0033445 k( 45) = ( 0.5325557 0.3023017 -0.0762211), wk = 0.0033445 k( 46) = ( 0.5372065 0.3049417 -0.0600117), wk = 0.0033445 k( 47) = ( 0.5418573 0.3075817 -0.0438023), wk = 0.0033445 k( 48) = ( 0.5465081 0.3102217 -0.0275930), wk = 0.0033445 k( 49) = ( 0.5511590 0.3128617 -0.0113836), wk = 0.0033445 k( 50) = ( 0.5558098 0.3155017 0.0048257), wk = 0.0033445 k( 51) = ( 0.5604606 0.3181417 0.0210351), wk = 0.0033445 k( 52) = ( 0.5651114 0.3207817 0.0372444), wk = 0.0033445 k( 53) = ( 0.5697622 0.3234217 0.0534538), wk = 0.0033445 k( 54) = ( 0.5697622 0.3234217 0.0534538), wk = 0.0033445 k( 55) = ( 0.5643959 0.3203755 0.0680451), wk = 0.0033445 k( 56) = ( 0.5590296 0.3173294 0.0826363), wk = 0.0033445 k( 57) = ( 0.5536632 0.3142832 0.0972276), wk = 0.0033445 k( 58) = ( 0.5482969 0.3112370 0.1118189), wk = 0.0033445 k( 59) = ( 0.5429306 0.3081909 0.1264102), wk = 0.0033445 k( 60) = ( 0.5375643 0.3051447 0.1410014), wk = 0.0033445 k( 61) = ( 0.5321979 0.3020986 0.1555927), wk = 0.0033445 k( 62) = ( 0.5268316 0.2990524 0.1701840), wk = 0.0033445 k( 63) = ( 0.5214653 0.2960063 0.1847753), wk = 0.0033445 k( 64) = ( 0.5160990 0.2929601 0.1993665), wk = 0.0033445 k( 65) = ( 0.5107327 0.2899139 0.2139578), wk = 0.0033445 k( 66) = ( 0.5053663 0.2868678 0.2285491), wk = 0.0033445 k( 67) = ( 0.5000000 0.2838216 0.2431403), wk = 0.0033445 k( 68) = ( 0.5000000 0.2838216 0.2431403), wk = 0.0033445 k( 69) = ( 0.5083622 0.2690902 0.2431403), wk = 0.0033445 k( 70) = ( 0.5167244 0.2543588 0.2431403), wk = 0.0033445 k( 71) = ( 0.5250866 0.2396274 0.2431403), wk = 0.0033445 k( 72) = ( 0.5334487 0.2248960 0.2431403), wk = 0.0033445 k( 73) = ( 0.5418109 0.2101646 0.2431403), wk = 0.0033445 k( 74) = ( 0.5501731 0.1954332 0.2431403), wk = 0.0033445 k( 75) = ( 0.5585353 0.1807018 0.2431403), wk = 0.0033445 k( 76) = ( 0.5668975 0.1659704 0.2431403), wk = 0.0033445 k( 77) = ( 0.5752597 0.1512390 0.2431403), wk = 0.0033445 k( 78) = ( 0.5836218 0.1365076 0.2431403), wk = 0.0033445 k( 79) = ( 0.5919840 0.1217762 0.2431403), wk = 0.0033445 k( 80) = ( 0.6003462 0.1070448 0.2431403), wk = 0.0033445 k( 81) = ( 0.6087084 0.0923134 0.2431403), wk = 0.0033445 k( 82) = ( 0.6170706 0.0775820 0.2431403), wk = 0.0033445 k( 83) = ( 0.6254327 0.0628506 0.2431403), wk = 0.0033445 k( 84) = ( 0.6337949 0.0481191 0.2431403), wk = 0.0033445 k( 85) = ( 0.6421571 0.0333877 0.2431403), wk = 0.0033445 k( 86) = ( 0.6505193 0.0186563 0.2431403), wk = 0.0033445 k( 87) = ( 0.6588815 0.0039249 0.2431403), wk = 0.0033445 k( 88) = ( 0.6672437 -0.0108065 0.2431403), wk = 0.0033445 k( 89) = ( 0.6756058 -0.0255379 0.2431403), wk = 0.0033445 k( 90) = ( 0.6839680 -0.0402693 0.2431403), wk = 0.0033445 k( 91) = ( 0.6923302 -0.0550007 0.2431403), wk = 0.0033445 k( 92) = ( 0.7006924 -0.0697321 0.2431403), wk = 0.0033445 k( 93) = ( 0.2993076 -0.5272812 0.4328269), wk = 0.0033445 k( 94) = ( 0.2909935 -0.5126345 0.4328269), wk = 0.0033445 k( 95) = ( 0.2826794 -0.4979878 0.4328269), wk = 0.0033445 k( 96) = ( 0.2743653 -0.4833411 0.4328269), wk = 0.0033445 k( 97) = ( 0.2660512 -0.4686944 0.4328269), wk = 0.0033445 k( 98) = ( 0.2577371 -0.4540477 0.4328269), wk = 0.0033445 k( 99) = ( 0.2494230 -0.4394010 0.4328269), wk = 0.0033445 k( 100) = ( 0.2411089 -0.4247543 0.4328269), wk = 0.0033445 k( 101) = ( 0.2327948 -0.4101076 0.4328269), wk = 0.0033445 k( 102) = ( 0.2244807 -0.3954609 0.4328269), wk = 0.0033445 k( 103) = ( 0.2161666 -0.3808142 0.4328269), wk = 0.0033445 k( 104) = ( 0.2078525 -0.3661675 0.4328269), wk = 0.0033445 k( 105) = ( 0.1995384 -0.3515208 0.4328269), wk = 0.0033445 k( 106) = ( 0.1912243 -0.3368741 0.4328269), wk = 0.0033445 k( 107) = ( 0.1829102 -0.3222274 0.4328269), wk = 0.0033445 k( 108) = ( 0.1745961 -0.3075807 0.4328269), wk = 0.0033445 k( 109) = ( 0.1662820 -0.2929340 0.4328269), wk = 0.0033445 k( 110) = ( 0.1579679 -0.2782873 0.4328269), wk = 0.0033445 k( 111) = ( 0.1496538 -0.2636406 0.4328269), wk = 0.0033445 k( 112) = ( 0.1413397 -0.2489939 0.4328269), wk = 0.0033445 k( 113) = ( 0.1330256 -0.2343472 0.4328269), wk = 0.0033445 k( 114) = ( 0.1247115 -0.2197005 0.4328269), wk = 0.0033445 k( 115) = ( 0.1163974 -0.2050538 0.4328269), wk = 0.0033445 k( 116) = ( 0.1080833 -0.1904071 0.4328269), wk = 0.0033445 k( 117) = ( 0.0997692 -0.1757604 0.4328269), wk = 0.0033445 k( 118) = ( 0.0914551 -0.1611137 0.4328269), wk = 0.0033445 k( 119) = ( 0.0831410 -0.1464670 0.4328269), wk = 0.0033445 k( 120) = ( 0.0748269 -0.1318203 0.4328269), wk = 0.0033445 k( 121) = ( 0.0665128 -0.1171736 0.4328269), wk = 0.0033445 k( 122) = ( 0.0581987 -0.1025269 0.4328269), wk = 0.0033445 k( 123) = ( 0.0498846 -0.0878802 0.4328269), wk = 0.0033445 k( 124) = ( 0.0415705 -0.0732335 0.4328269), wk = 0.0033445 k( 125) = ( 0.0332564 -0.0585868 0.4328269), wk = 0.0033445 k( 126) = ( 0.0249423 -0.0439401 0.4328269), wk = 0.0033445 k( 127) = ( 0.0166282 -0.0292934 0.4328269), wk = 0.0033445 k( 128) = ( 0.0083141 -0.0146467 0.4328269), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.4328269), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.4328269), wk = 0.0033445 k( 131) = ( 0.0148358 0.0084214 0.4328269), wk = 0.0033445 k( 132) = ( 0.0296716 0.0168429 0.4328269), wk = 0.0033445 k( 133) = ( 0.0445074 0.0252643 0.4328269), wk = 0.0033445 k( 134) = ( 0.0593431 0.0336857 0.4328269), wk = 0.0033445 k( 135) = ( 0.0741789 0.0421072 0.4328269), wk = 0.0033445 k( 136) = ( 0.0890147 0.0505286 0.4328269), wk = 0.0033445 k( 137) = ( 0.1038505 0.0589500 0.4328269), wk = 0.0033445 k( 138) = ( 0.1186863 0.0673715 0.4328269), wk = 0.0033445 k( 139) = ( 0.1335221 0.0757929 0.4328269), wk = 0.0033445 k( 140) = ( 0.1483579 0.0842143 0.4328269), wk = 0.0033445 k( 141) = ( 0.1631936 0.0926358 0.4328269), wk = 0.0033445 k( 142) = ( 0.1780294 0.1010572 0.4328269), wk = 0.0033445 k( 143) = ( 0.1928652 0.1094786 0.4328269), wk = 0.0033445 k( 144) = ( 0.2077010 0.1179001 0.4328269), wk = 0.0033445 k( 145) = ( 0.2225368 0.1263215 0.4328269), wk = 0.0033445 k( 146) = ( 0.2373726 0.1347429 0.4328269), wk = 0.0033445 k( 147) = ( 0.2522084 0.1431644 0.4328269), wk = 0.0033445 k( 148) = ( 0.2670441 0.1515858 0.4328269), wk = 0.0033445 k( 149) = ( 0.2818799 0.1600072 0.4328269), wk = 0.0033445 k( 150) = ( 0.2967157 0.1684287 0.4328269), wk = 0.0033445 k( 151) = ( 0.3115515 0.1768501 0.4328269), wk = 0.0033445 k( 152) = ( 0.3263873 0.1852715 0.4328269), wk = 0.0033445 k( 153) = ( 0.3412231 0.1936930 0.4328269), wk = 0.0033445 k( 154) = ( 0.3560589 0.2021144 0.4328269), wk = 0.0033445 k( 155) = ( 0.3708946 0.2105358 0.4328269), wk = 0.0033445 k( 156) = ( 0.3857304 0.2189573 0.4328269), wk = 0.0033445 k( 157) = ( 0.4005662 0.2273787 0.4328269), wk = 0.0033445 k( 158) = ( 0.4154020 0.2358001 0.4328269), wk = 0.0033445 k( 159) = ( 0.4302378 0.2442216 0.4328269), wk = 0.0033445 k( 160) = ( 0.5000000 0.2838216 -0.1896865), wk = 0.0033445 k( 161) = ( 0.5080338 0.2696687 -0.1896865), wk = 0.0033445 k( 162) = ( 0.5160677 0.2555157 -0.1896865), wk = 0.0033445 k( 163) = ( 0.5241015 0.2413627 -0.1896865), wk = 0.0033445 k( 164) = ( 0.5321354 0.2272097 -0.1896865), wk = 0.0033445 k( 165) = ( 0.5401692 0.2130567 -0.1896865), wk = 0.0033445 k( 166) = ( 0.5482031 0.1989038 -0.1896865), wk = 0.0033445 k( 167) = ( 0.5562369 0.1847508 -0.1896865), wk = 0.0033445 k( 168) = ( 0.5642708 0.1705978 -0.1896865), wk = 0.0033445 k( 169) = ( 0.5723046 0.1564448 -0.1896865), wk = 0.0033445 k( 170) = ( 0.5803384 0.1422918 -0.1896865), wk = 0.0033445 k( 171) = ( 0.5883723 0.1281388 -0.1896865), wk = 0.0033445 k( 172) = ( 0.5964061 0.1139859 -0.1896865), wk = 0.0033445 k( 173) = ( 0.6044400 0.0998329 -0.1896865), wk = 0.0033445 k( 174) = ( 0.6124738 0.0856799 -0.1896865), wk = 0.0033445 k( 175) = ( 0.6205077 0.0715269 -0.1896865), wk = 0.0033445 k( 176) = ( 0.6285415 0.0573739 -0.1896865), wk = 0.0033445 k( 177) = ( 0.6365753 0.0432210 -0.1896865), wk = 0.0033445 k( 178) = ( 0.6446092 0.0290680 -0.1896865), wk = 0.0033445 k( 179) = ( 0.6526430 0.0149150 -0.1896865), wk = 0.0033445 k( 180) = ( 0.6606769 0.0007620 -0.1896865), wk = 0.0033445 k( 181) = ( 0.3393231 -0.5977753 -0.0000000), wk = 0.0033445 k( 182) = ( 0.3310470 -0.5831954 -0.0000000), wk = 0.0033445 k( 183) = ( 0.3227708 -0.5686155 -0.0000000), wk = 0.0033445 k( 184) = ( 0.3144946 -0.5540357 -0.0000000), wk = 0.0033445 k( 185) = ( 0.3062184 -0.5394558 -0.0000000), wk = 0.0033445 k( 186) = ( 0.2979423 -0.5248759 -0.0000000), wk = 0.0033445 k( 187) = ( 0.2896661 -0.5102960 -0.0000000), wk = 0.0033445 k( 188) = ( 0.2813899 -0.4957161 -0.0000000), wk = 0.0033445 k( 189) = ( 0.2731137 -0.4811362 -0.0000000), wk = 0.0033445 k( 190) = ( 0.2648376 -0.4665563 -0.0000000), wk = 0.0033445 k( 191) = ( 0.2565614 -0.4519765 -0.0000000), wk = 0.0033445 k( 192) = ( 0.2482852 -0.4373966 -0.0000000), wk = 0.0033445 k( 193) = ( 0.2400090 -0.4228167 -0.0000000), wk = 0.0033445 k( 194) = ( 0.2317329 -0.4082368 -0.0000000), wk = 0.0033445 k( 195) = ( 0.2234567 -0.3936569 -0.0000000), wk = 0.0033445 k( 196) = ( 0.2151805 -0.3790770 -0.0000000), wk = 0.0033445 k( 197) = ( 0.2069043 -0.3644971 -0.0000000), wk = 0.0033445 k( 198) = ( 0.1986282 -0.3499173 -0.0000000), wk = 0.0033445 k( 199) = ( 0.1903520 -0.3353374 -0.0000000), wk = 0.0033445 k( 200) = ( 0.1820758 -0.3207575 -0.0000000), wk = 0.0033445 k( 201) = ( 0.1737996 -0.3061776 -0.0000000), wk = 0.0033445 k( 202) = ( 0.1655235 -0.2915977 -0.0000000), wk = 0.0033445 k( 203) = ( 0.1572473 -0.2770178 -0.0000000), wk = 0.0033445 k( 204) = ( 0.1489711 -0.2624379 -0.0000000), wk = 0.0033445 k( 205) = ( 0.1406950 -0.2478580 -0.0000000), wk = 0.0033445 k( 206) = ( 0.1324188 -0.2332782 -0.0000000), wk = 0.0033445 k( 207) = ( 0.1241426 -0.2186983 -0.0000000), wk = 0.0033445 k( 208) = ( 0.1158664 -0.2041184 -0.0000000), wk = 0.0033445 k( 209) = ( 0.1075903 -0.1895385 -0.0000000), wk = 0.0033445 k( 210) = ( 0.0993141 -0.1749586 -0.0000000), wk = 0.0033445 k( 211) = ( 0.0910379 -0.1603787 -0.0000000), wk = 0.0033445 k( 212) = ( 0.0827617 -0.1457989 -0.0000000), wk = 0.0033445 k( 213) = ( 0.0744856 -0.1312190 -0.0000000), wk = 0.0033445 k( 214) = ( 0.0662094 -0.1166391 -0.0000000), wk = 0.0033445 k( 215) = ( 0.0579332 -0.1020592 -0.0000000), wk = 0.0033445 k( 216) = ( 0.0496570 -0.0874793 -0.0000000), wk = 0.0033445 k( 217) = ( 0.0413809 -0.0728994 -0.0000000), wk = 0.0033445 k( 218) = ( 0.0331047 -0.0583195 -0.0000000), wk = 0.0033445 k( 219) = ( 0.0248285 -0.0437397 -0.0000000), wk = 0.0033445 k( 220) = ( 0.0165524 -0.0291598 -0.0000000), wk = 0.0033445 k( 221) = ( 0.0082762 -0.0145799 -0.0000000), wk = 0.0033445 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 224) = ( 0.0142857 -0.0085288 -0.0027098), wk = 0.0033445 k( 225) = ( 0.0285714 -0.0170575 -0.0054196), wk = 0.0033445 k( 226) = ( 0.0428571 -0.0255863 -0.0081294), wk = 0.0033445 k( 227) = ( 0.0571429 -0.0341150 -0.0108392), wk = 0.0033445 k( 228) = ( 0.0714286 -0.0426438 -0.0135490), wk = 0.0033445 k( 229) = ( 0.0857143 -0.0511726 -0.0162588), wk = 0.0033445 k( 230) = ( 0.1000000 -0.0597013 -0.0189687), wk = 0.0033445 k( 231) = ( 0.1142857 -0.0682301 -0.0216785), wk = 0.0033445 k( 232) = ( 0.1285714 -0.0767589 -0.0243883), wk = 0.0033445 k( 233) = ( 0.1428571 -0.0852876 -0.0270981), wk = 0.0033445 k( 234) = ( 0.1571429 -0.0938164 -0.0298079), wk = 0.0033445 k( 235) = ( 0.1714286 -0.1023451 -0.0325177), wk = 0.0033445 k( 236) = ( 0.1857143 -0.1108739 -0.0352275), wk = 0.0033445 k( 237) = ( 0.2000000 -0.1194027 -0.0379373), wk = 0.0033445 k( 238) = ( 0.2142857 -0.1279314 -0.0406471), wk = 0.0033445 k( 239) = ( 0.2285714 -0.1364602 -0.0433569), wk = 0.0033445 k( 240) = ( 0.2428571 -0.1449889 -0.0460667), wk = 0.0033445 k( 241) = ( 0.2571429 -0.1535177 -0.0487765), wk = 0.0033445 k( 242) = ( 0.2714286 -0.1620465 -0.0514863), wk = 0.0033445 k( 243) = ( 0.2857143 -0.1705752 -0.0541962), wk = 0.0033445 k( 244) = ( 0.3000000 -0.1791040 -0.0569060), wk = 0.0033445 k( 245) = ( 0.3142857 -0.1876327 -0.0596158), wk = 0.0033445 k( 246) = ( 0.3285714 -0.1961615 -0.0623256), wk = 0.0033445 k( 247) = ( 0.3428571 -0.2046903 -0.0650354), wk = 0.0033445 k( 248) = ( 0.3571429 -0.2132190 -0.0677452), wk = 0.0033445 k( 249) = ( 0.3714286 -0.2217478 -0.0704550), wk = 0.0033445 k( 250) = ( 0.3857143 -0.2302766 -0.0731648), wk = 0.0033445 k( 251) = ( 0.4000000 -0.2388053 -0.0758746), wk = 0.0033445 k( 252) = ( 0.4142857 -0.2473341 -0.0785844), wk = 0.0033445 k( 253) = ( 0.4285714 -0.2558628 -0.0812942), wk = 0.0033445 k( 254) = ( 0.4428571 -0.2643916 -0.0840040), wk = 0.0033445 k( 255) = ( 0.4571429 -0.2729204 -0.0867139), wk = 0.0033445 k( 256) = ( 0.4714286 -0.2814491 -0.0894237), wk = 0.0033445 k( 257) = ( 0.4857143 -0.2899779 -0.0921335), wk = 0.0033445 k( 258) = ( 0.5000000 -0.2985066 -0.0948433), wk = 0.0033445 k( 259) = ( 0.5000000 -0.2985066 0.3379836), wk = 0.0033445 k( 260) = ( 0.4875000 -0.2910440 0.3295340), wk = 0.0033445 k( 261) = ( 0.4750000 -0.2835813 0.3210844), wk = 0.0033445 k( 262) = ( 0.4625000 -0.2761186 0.3126348), wk = 0.0033445 k( 263) = ( 0.4500000 -0.2686560 0.3041853), wk = 0.0033445 k( 264) = ( 0.4375000 -0.2611933 0.2957357), wk = 0.0033445 k( 265) = ( 0.4250000 -0.2537306 0.2872861), wk = 0.0033445 k( 266) = ( 0.4125000 -0.2462680 0.2788365), wk = 0.0033445 k( 267) = ( 0.4000000 -0.2388053 0.2703869), wk = 0.0033445 k( 268) = ( 0.3875000 -0.2313427 0.2619373), wk = 0.0033445 k( 269) = ( 0.3750000 -0.2238800 0.2534877), wk = 0.0033445 k( 270) = ( 0.3625000 -0.2164173 0.2450381), wk = 0.0033445 k( 271) = ( 0.3500000 -0.2089547 0.2365885), wk = 0.0033445 k( 272) = ( 0.3375000 -0.2014920 0.2281389), wk = 0.0033445 k( 273) = ( 0.3250000 -0.1940293 0.2196894), wk = 0.0033445 k( 274) = ( 0.3125000 -0.1865667 0.2112398), wk = 0.0033445 k( 275) = ( 0.3000000 -0.1791040 0.2027902), wk = 0.0033445 k( 276) = ( 0.2875000 -0.1716413 0.1943406), wk = 0.0033445 k( 277) = ( 0.2750000 -0.1641787 0.1858910), wk = 0.0033445 k( 278) = ( 0.2625000 -0.1567160 0.1774414), wk = 0.0033445 k( 279) = ( 0.2500000 -0.1492533 0.1689918), wk = 0.0033445 k( 280) = ( 0.2375000 -0.1417907 0.1605422), wk = 0.0033445 k( 281) = ( 0.2250000 -0.1343280 0.1520926), wk = 0.0033445 k( 282) = ( 0.2125000 -0.1268653 0.1436430), wk = 0.0033445 k( 283) = ( 0.2000000 -0.1194027 0.1351934), wk = 0.0033445 k( 284) = ( 0.1875000 -0.1119400 0.1267439), wk = 0.0033445 k( 285) = ( 0.1750000 -0.1044773 0.1182943), wk = 0.0033445 k( 286) = ( 0.1625000 -0.0970147 0.1098447), wk = 0.0033445 k( 287) = ( 0.1500000 -0.0895520 0.1013951), wk = 0.0033445 k( 288) = ( 0.1375000 -0.0820893 0.0929455), wk = 0.0033445 k( 289) = ( 0.1250000 -0.0746267 0.0844959), wk = 0.0033445 k( 290) = ( 0.1125000 -0.0671640 0.0760463), wk = 0.0033445 k( 291) = ( 0.1000000 -0.0597013 0.0675967), wk = 0.0033445 k( 292) = ( 0.0875000 -0.0522387 0.0591471), wk = 0.0033445 k( 293) = ( 0.0750000 -0.0447760 0.0506975), wk = 0.0033445 k( 294) = ( 0.0625000 -0.0373133 0.0422480), wk = 0.0033445 k( 295) = ( 0.0500000 -0.0298507 0.0337984), wk = 0.0033445 k( 296) = ( 0.0375000 -0.0223880 0.0253488), wk = 0.0033445 k( 297) = ( 0.0250000 -0.0149253 0.0168992), wk = 0.0033445 k( 298) = ( 0.0125000 -0.0074627 0.0084496), wk = 0.0033445 k( 299) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033445 k( 5) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033445 k( 8) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033445 k( 9) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033445 k( 15) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033445 k( 16) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033445 k( 17) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033445 k( 18) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033445 k( 23) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0033445 k( 24) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033445 k( 25) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 26) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0033445 k( 30) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0033445 k( 31) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0033445 k( 32) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0033445 k( 33) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0033445 k( 34) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0033445 k( 37) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033445 k( 38) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033445 k( 39) = ( 0.5046508 0.5046508 0.0207632), wk = 0.0033445 k( 40) = ( 0.5093016 0.5093016 0.0415264), wk = 0.0033445 k( 41) = ( 0.5139524 0.5139524 0.0622896), wk = 0.0033445 k( 42) = ( 0.5186033 0.5186033 0.0830528), wk = 0.0033445 k( 43) = ( 0.5232541 0.5232541 0.1038160), wk = 0.0033445 k( 44) = ( 0.5279049 0.5279049 0.1245792), wk = 0.0033445 k( 45) = ( 0.5325557 0.5325557 0.1453425), wk = 0.0033445 k( 46) = ( 0.5372065 0.5372065 0.1661057), wk = 0.0033445 k( 47) = ( 0.5418573 0.5418573 0.1868689), wk = 0.0033445 k( 48) = ( 0.5465081 0.5465081 0.2076321), wk = 0.0033445 k( 49) = ( 0.5511590 0.5511590 0.2283953), wk = 0.0033445 k( 50) = ( 0.5558098 0.5558098 0.2491585), wk = 0.0033445 k( 51) = ( 0.5604606 0.5604606 0.2699217), wk = 0.0033445 k( 52) = ( 0.5651114 0.5651114 0.2906849), wk = 0.0033445 k( 53) = ( 0.5697622 0.5697622 0.3114481), wk = 0.0033445 k( 54) = ( 0.5697622 0.5697622 0.3114481), wk = 0.0033445 k( 55) = ( 0.5643959 0.5643959 0.3259521), wk = 0.0033445 k( 56) = ( 0.5590296 0.5590296 0.3404561), wk = 0.0033445 k( 57) = ( 0.5536632 0.5536632 0.3549601), wk = 0.0033445 k( 58) = ( 0.5482969 0.5482969 0.3694641), wk = 0.0033445 k( 59) = ( 0.5429306 0.5429306 0.3839681), wk = 0.0033445 k( 60) = ( 0.5375643 0.5375643 0.3984721), wk = 0.0033445 k( 61) = ( 0.5321979 0.5321979 0.4129761), wk = 0.0033445 k( 62) = ( 0.5268316 0.5268316 0.4274800), wk = 0.0033445 k( 63) = ( 0.5214653 0.5214653 0.4419840), wk = 0.0033445 k( 64) = ( 0.5160990 0.5160990 0.4564880), wk = 0.0033445 k( 65) = ( 0.5107327 0.5107327 0.4709920), wk = 0.0033445 k( 66) = ( 0.5053663 0.5053663 0.4854960), wk = 0.0033445 k( 67) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 68) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 69) = ( 0.5083622 0.4916378 0.5000000), wk = 0.0033445 k( 70) = ( 0.5167244 0.4832756 0.5000000), wk = 0.0033445 k( 71) = ( 0.5250866 0.4749135 0.5000000), wk = 0.0033445 k( 72) = ( 0.5334487 0.4665513 0.5000000), wk = 0.0033445 k( 73) = ( 0.5418109 0.4581891 0.5000000), wk = 0.0033445 k( 74) = ( 0.5501731 0.4498269 0.5000000), wk = 0.0033445 k( 75) = ( 0.5585353 0.4414647 0.5000000), wk = 0.0033445 k( 76) = ( 0.5668975 0.4331025 0.5000000), wk = 0.0033445 k( 77) = ( 0.5752597 0.4247403 0.5000000), wk = 0.0033445 k( 78) = ( 0.5836218 0.4163782 0.5000000), wk = 0.0033445 k( 79) = ( 0.5919840 0.4080160 0.5000000), wk = 0.0033445 k( 80) = ( 0.6003462 0.3996538 0.5000000), wk = 0.0033445 k( 81) = ( 0.6087084 0.3912916 0.5000000), wk = 0.0033445 k( 82) = ( 0.6170706 0.3829294 0.5000000), wk = 0.0033445 k( 83) = ( 0.6254327 0.3745673 0.5000000), wk = 0.0033445 k( 84) = ( 0.6337949 0.3662051 0.5000000), wk = 0.0033445 k( 85) = ( 0.6421571 0.3578429 0.5000000), wk = 0.0033445 k( 86) = ( 0.6505193 0.3494807 0.5000000), wk = 0.0033445 k( 87) = ( 0.6588815 0.3411185 0.5000000), wk = 0.0033445 k( 88) = ( 0.6672437 0.3327563 0.5000000), wk = 0.0033445 k( 89) = ( 0.6756058 0.3243942 0.5000000), wk = 0.0033445 k( 90) = ( 0.6839680 0.3160320 0.5000000), wk = 0.0033445 k( 91) = ( 0.6923302 0.3076698 0.5000000), wk = 0.0033445 k( 92) = ( 0.7006924 0.2993076 0.5000000), wk = 0.0033445 k( 93) = ( 0.2993076 -0.2993076 0.5000000), wk = 0.0033445 k( 94) = ( 0.2909935 -0.2909935 0.5000000), wk = 0.0033445 k( 95) = ( 0.2826794 -0.2826794 0.5000000), wk = 0.0033445 k( 96) = ( 0.2743653 -0.2743653 0.5000000), wk = 0.0033445 k( 97) = ( 0.2660512 -0.2660512 0.5000000), wk = 0.0033445 k( 98) = ( 0.2577371 -0.2577371 0.5000000), wk = 0.0033445 k( 99) = ( 0.2494230 -0.2494230 0.5000000), wk = 0.0033445 k( 100) = ( 0.2411089 -0.2411089 0.5000000), wk = 0.0033445 k( 101) = ( 0.2327948 -0.2327948 0.5000000), wk = 0.0033445 k( 102) = ( 0.2244807 -0.2244807 0.5000000), wk = 0.0033445 k( 103) = ( 0.2161666 -0.2161666 0.5000000), wk = 0.0033445 k( 104) = ( 0.2078525 -0.2078525 0.5000000), wk = 0.0033445 k( 105) = ( 0.1995384 -0.1995384 0.5000000), wk = 0.0033445 k( 106) = ( 0.1912243 -0.1912243 0.5000000), wk = 0.0033445 k( 107) = ( 0.1829102 -0.1829102 0.5000000), wk = 0.0033445 k( 108) = ( 0.1745961 -0.1745961 0.5000000), wk = 0.0033445 k( 109) = ( 0.1662820 -0.1662820 0.5000000), wk = 0.0033445 k( 110) = ( 0.1579679 -0.1579679 0.5000000), wk = 0.0033445 k( 111) = ( 0.1496538 -0.1496538 0.5000000), wk = 0.0033445 k( 112) = ( 0.1413397 -0.1413397 0.5000000), wk = 0.0033445 k( 113) = ( 0.1330256 -0.1330256 0.5000000), wk = 0.0033445 k( 114) = ( 0.1247115 -0.1247115 0.5000000), wk = 0.0033445 k( 115) = ( 0.1163974 -0.1163974 0.5000000), wk = 0.0033445 k( 116) = ( 0.1080833 -0.1080833 0.5000000), wk = 0.0033445 k( 117) = ( 0.0997692 -0.0997692 0.5000000), wk = 0.0033445 k( 118) = ( 0.0914551 -0.0914551 0.5000000), wk = 0.0033445 k( 119) = ( 0.0831410 -0.0831410 0.5000000), wk = 0.0033445 k( 120) = ( 0.0748269 -0.0748269 0.5000000), wk = 0.0033445 k( 121) = ( 0.0665128 -0.0665128 0.5000000), wk = 0.0033445 k( 122) = ( 0.0581987 -0.0581987 0.5000000), wk = 0.0033445 k( 123) = ( 0.0498846 -0.0498846 0.5000000), wk = 0.0033445 k( 124) = ( 0.0415705 -0.0415705 0.5000000), wk = 0.0033445 k( 125) = ( 0.0332564 -0.0332564 0.5000000), wk = 0.0033445 k( 126) = ( 0.0249423 -0.0249423 0.5000000), wk = 0.0033445 k( 127) = ( 0.0166282 -0.0166282 0.5000000), wk = 0.0033445 k( 128) = ( 0.0083141 -0.0083141 0.5000000), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 131) = ( 0.0148358 0.0148358 0.5065018), wk = 0.0033445 k( 132) = ( 0.0296716 0.0296716 0.5130036), wk = 0.0033445 k( 133) = ( 0.0445074 0.0445074 0.5195054), wk = 0.0033445 k( 134) = ( 0.0593431 0.0593431 0.5260071), wk = 0.0033445 k( 135) = ( 0.0741789 0.0741789 0.5325089), wk = 0.0033445 k( 136) = ( 0.0890147 0.0890147 0.5390107), wk = 0.0033445 k( 137) = ( 0.1038505 0.1038505 0.5455125), wk = 0.0033445 k( 138) = ( 0.1186863 0.1186863 0.5520143), wk = 0.0033445 k( 139) = ( 0.1335221 0.1335221 0.5585161), wk = 0.0033445 k( 140) = ( 0.1483579 0.1483579 0.5650179), wk = 0.0033445 k( 141) = ( 0.1631936 0.1631936 0.5715197), wk = 0.0033445 k( 142) = ( 0.1780294 0.1780294 0.5780215), wk = 0.0033445 k( 143) = ( 0.1928652 0.1928652 0.5845233), wk = 0.0033445 k( 144) = ( 0.2077010 0.2077010 0.5910250), wk = 0.0033445 k( 145) = ( 0.2225368 0.2225368 0.5975268), wk = 0.0033445 k( 146) = ( 0.2373726 0.2373726 0.6040286), wk = 0.0033445 k( 147) = ( 0.2522084 0.2522084 0.6105304), wk = 0.0033445 k( 148) = ( 0.2670441 0.2670441 0.6170322), wk = 0.0033445 k( 149) = ( 0.2818799 0.2818799 0.6235340), wk = 0.0033445 k( 150) = ( 0.2967157 0.2967157 0.6300358), wk = 0.0033445 k( 151) = ( 0.3115515 0.3115515 0.6365376), wk = 0.0033445 k( 152) = ( 0.3263873 0.3263873 0.6430394), wk = 0.0033445 k( 153) = ( 0.3412231 0.3412231 0.6495411), wk = 0.0033445 k( 154) = ( 0.3560589 0.3560589 0.6560429), wk = 0.0033445 k( 155) = ( 0.3708946 0.3708947 0.6625447), wk = 0.0033445 k( 156) = ( 0.3857304 0.3857304 0.6690465), wk = 0.0033445 k( 157) = ( 0.4005662 0.4005662 0.6755483), wk = 0.0033445 k( 158) = ( 0.4154020 0.4154020 0.6820501), wk = 0.0033445 k( 159) = ( 0.4302378 0.4302378 0.6885519), wk = 0.0033445 k( 160) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033445 k( 161) = ( 0.5080338 0.4919662 -0.0000000), wk = 0.0033445 k( 162) = ( 0.5160677 0.4839323 -0.0000000), wk = 0.0033445 k( 163) = ( 0.5241015 0.4758985 -0.0000000), wk = 0.0033445 k( 164) = ( 0.5321354 0.4678646 -0.0000000), wk = 0.0033445 k( 165) = ( 0.5401692 0.4598308 -0.0000000), wk = 0.0033445 k( 166) = ( 0.5482031 0.4517969 -0.0000000), wk = 0.0033445 k( 167) = ( 0.5562369 0.4437631 -0.0000000), wk = 0.0033445 k( 168) = ( 0.5642708 0.4357293 -0.0000000), wk = 0.0033445 k( 169) = ( 0.5723046 0.4276954 0.0000000), wk = 0.0033445 k( 170) = ( 0.5803384 0.4196616 -0.0000000), wk = 0.0033445 k( 171) = ( 0.5883723 0.4116277 -0.0000000), wk = 0.0033445 k( 172) = ( 0.5964061 0.4035939 -0.0000000), wk = 0.0033445 k( 173) = ( 0.6044400 0.3955600 -0.0000000), wk = 0.0033445 k( 174) = ( 0.6124738 0.3875262 -0.0000000), wk = 0.0033445 k( 175) = ( 0.6205077 0.3794923 -0.0000000), wk = 0.0033445 k( 176) = ( 0.6285415 0.3714585 -0.0000000), wk = 0.0033445 k( 177) = ( 0.6365753 0.3634247 -0.0000000), wk = 0.0033445 k( 178) = ( 0.6446092 0.3553908 0.0000000), wk = 0.0033445 k( 179) = ( 0.6526430 0.3473570 -0.0000000), wk = 0.0033445 k( 180) = ( 0.6606769 0.3393231 -0.0000000), wk = 0.0033445 k( 181) = ( 0.3393231 -0.3393231 0.0000000), wk = 0.0033445 k( 182) = ( 0.3310470 -0.3310470 0.0000000), wk = 0.0033445 k( 183) = ( 0.3227708 -0.3227708 -0.0000000), wk = 0.0033445 k( 184) = ( 0.3144946 -0.3144946 0.0000000), wk = 0.0033445 k( 185) = ( 0.3062184 -0.3062184 -0.0000000), wk = 0.0033445 k( 186) = ( 0.2979423 -0.2979422 0.0000000), wk = 0.0033445 k( 187) = ( 0.2896661 -0.2896661 -0.0000000), wk = 0.0033445 k( 188) = ( 0.2813899 -0.2813899 0.0000000), wk = 0.0033445 k( 189) = ( 0.2731137 -0.2731137 -0.0000000), wk = 0.0033445 k( 190) = ( 0.2648376 -0.2648376 -0.0000000), wk = 0.0033445 k( 191) = ( 0.2565614 -0.2565614 0.0000000), wk = 0.0033445 k( 192) = ( 0.2482852 -0.2482852 0.0000000), wk = 0.0033445 k( 193) = ( 0.2400090 -0.2400090 -0.0000000), wk = 0.0033445 k( 194) = ( 0.2317329 -0.2317329 0.0000000), wk = 0.0033445 k( 195) = ( 0.2234567 -0.2234567 -0.0000000), wk = 0.0033445 k( 196) = ( 0.2151805 -0.2151805 0.0000000), wk = 0.0033445 k( 197) = ( 0.2069043 -0.2069043 0.0000000), wk = 0.0033445 k( 198) = ( 0.1986282 -0.1986282 -0.0000000), wk = 0.0033445 k( 199) = ( 0.1903520 -0.1903520 0.0000000), wk = 0.0033445 k( 200) = ( 0.1820758 -0.1820758 -0.0000000), wk = 0.0033445 k( 201) = ( 0.1737996 -0.1737996 -0.0000000), wk = 0.0033445 k( 202) = ( 0.1655235 -0.1655235 -0.0000000), wk = 0.0033445 k( 203) = ( 0.1572473 -0.1572473 0.0000000), wk = 0.0033445 k( 204) = ( 0.1489711 -0.1489711 -0.0000000), wk = 0.0033445 k( 205) = ( 0.1406950 -0.1406949 -0.0000000), wk = 0.0033445 k( 206) = ( 0.1324188 -0.1324188 -0.0000000), wk = 0.0033445 k( 207) = ( 0.1241426 -0.1241426 -0.0000000), wk = 0.0033445 k( 208) = ( 0.1158664 -0.1158664 0.0000000), wk = 0.0033445 k( 209) = ( 0.1075903 -0.1075903 0.0000000), wk = 0.0033445 k( 210) = ( 0.0993141 -0.0993141 0.0000000), wk = 0.0033445 k( 211) = ( 0.0910379 -0.0910379 -0.0000000), wk = 0.0033445 k( 212) = ( 0.0827617 -0.0827617 -0.0000000), wk = 0.0033445 k( 213) = ( 0.0744856 -0.0744856 -0.0000000), wk = 0.0033445 k( 214) = ( 0.0662094 -0.0662094 -0.0000000), wk = 0.0033445 k( 215) = ( 0.0579332 -0.0579332 -0.0000000), wk = 0.0033445 k( 216) = ( 0.0496570 -0.0496570 0.0000000), wk = 0.0033445 k( 217) = ( 0.0413809 -0.0413809 -0.0000000), wk = 0.0033445 k( 218) = ( 0.0331047 -0.0331047 -0.0000000), wk = 0.0033445 k( 219) = ( 0.0248285 -0.0248285 0.0000000), wk = 0.0033445 k( 220) = ( 0.0165524 -0.0165524 -0.0000000), wk = 0.0033445 k( 221) = ( 0.0082762 -0.0082762 0.0000000), wk = 0.0033445 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 223) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 224) = ( 0.0142857 0.0000000 -0.0000000), wk = 0.0033445 k( 225) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0033445 k( 226) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0033445 k( 227) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0033445 k( 228) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0033445 k( 229) = ( 0.0857143 0.0000000 -0.0000000), wk = 0.0033445 k( 230) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0033445 k( 231) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0033445 k( 232) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0033445 k( 233) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0033445 k( 234) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0033445 k( 235) = ( 0.1714286 0.0000000 -0.0000000), wk = 0.0033445 k( 236) = ( 0.1857143 0.0000000 -0.0000000), wk = 0.0033445 k( 237) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0033445 k( 238) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0033445 k( 239) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0033445 k( 240) = ( 0.2428571 0.0000000 -0.0000000), wk = 0.0033445 k( 241) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0033445 k( 242) = ( 0.2714286 0.0000000 -0.0000000), wk = 0.0033445 k( 243) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0033445 k( 244) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0033445 k( 245) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0033445 k( 246) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0033445 k( 247) = ( 0.3428571 0.0000000 -0.0000000), wk = 0.0033445 k( 248) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033445 k( 249) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0033445 k( 250) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0033445 k( 251) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0033445 k( 252) = ( 0.4142857 0.0000000 -0.0000000), wk = 0.0033445 k( 253) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0033445 k( 254) = ( 0.4428571 0.0000000 -0.0000000), wk = 0.0033445 k( 255) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0033445 k( 256) = ( 0.4714286 0.0000000 -0.0000000), wk = 0.0033445 k( 257) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0033445 k( 258) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 259) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 260) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0033445 k( 261) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0033445 k( 262) = ( 0.4625000 0.0000000 0.4625000), wk = 0.0033445 k( 263) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0033445 k( 264) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0033445 k( 265) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0033445 k( 266) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0033445 k( 267) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0033445 k( 268) = ( 0.3875000 -0.0000000 0.3875000), wk = 0.0033445 k( 269) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0033445 k( 270) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0033445 k( 271) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0033445 k( 272) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0033445 k( 273) = ( 0.3250000 -0.0000000 0.3250000), wk = 0.0033445 k( 274) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0033445 k( 275) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0033445 k( 276) = ( 0.2875000 -0.0000000 0.2875000), wk = 0.0033445 k( 277) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0033445 k( 278) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0033445 k( 279) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0033445 k( 280) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0033445 k( 281) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0033445 k( 282) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0033445 k( 283) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0033445 k( 284) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0033445 k( 285) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0033445 k( 286) = ( 0.1625000 -0.0000000 0.1625000), wk = 0.0033445 k( 287) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0033445 k( 288) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0033445 k( 289) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0033445 k( 290) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0033445 k( 291) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0033445 k( 292) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0033445 k( 293) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0033445 k( 294) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0033445 k( 295) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0033445 k( 296) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0033445 k( 297) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0033445 k( 298) = ( 0.0125000 0.0000000 0.0125000), wk = 0.0033445 k( 299) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 Dense grid: 147107 G-vectors FFT dimensions: ( 72, 72, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.82 Mb ( 1038, 52) NL pseudopotentials 1.27 Mb ( 519, 160) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 4088) G-vector shells 0.03 Mb ( 3928) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.29 Mb ( 1038, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.25 Mb ( 160, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./LiPxHOx2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 11.0 secs Computing kpt #: 6 total cpu time spent up to now is 12.8 secs Computing kpt #: 7 total cpu time spent up to now is 14.6 secs Computing kpt #: 8 total cpu time spent up to now is 16.4 secs Computing kpt #: 9 total cpu time spent up to now is 18.1 secs Computing kpt #: 10 total cpu time spent up to now is 19.9 secs Computing kpt #: 11 total cpu time spent up to now is 21.7 secs Computing kpt #: 12 total cpu time spent up to now is 23.5 secs Computing kpt #: 13 total cpu time spent up to now is 25.3 secs Computing kpt #: 14 total cpu time spent up to now is 27.1 secs Computing kpt #: 15 total cpu time spent up to now is 29.0 secs Computing kpt #: 16 total cpu time spent up to now is 30.8 secs Computing kpt #: 17 total cpu time spent up to now is 32.6 secs Computing kpt #: 18 total cpu time spent up to now is 34.5 secs Computing kpt #: 19 total cpu time spent up to now is 36.3 secs Computing kpt #: 20 total cpu time spent up to now is 38.1 secs Computing kpt #: 21 total cpu time spent up to now is 39.9 secs Computing kpt #: 22 total cpu time spent up to now is 41.7 secs Computing kpt #: 23 total cpu time spent up to now is 43.5 secs Computing kpt #: 24 total cpu time spent up to now is 45.3 secs Computing kpt #: 25 total cpu time spent up to now is 47.1 secs Computing kpt #: 26 total cpu time spent up to now is 48.8 secs Computing kpt #: 27 total cpu time spent up to now is 50.5 secs Computing kpt #: 28 total cpu time spent up to now is 52.4 secs Computing kpt #: 29 total cpu time spent up to now is 54.1 secs Computing kpt #: 30 total cpu time spent up to now is 55.9 secs Computing kpt #: 31 total cpu time spent up to now is 57.7 secs Computing kpt #: 32 total cpu time spent up to now is 59.4 secs Computing kpt #: 33 total cpu time spent up to now is 61.0 secs Computing kpt #: 34 total cpu time spent up to now is 62.7 secs Computing kpt #: 35 total cpu time spent up to now is 64.3 secs Computing kpt #: 36 total cpu time spent up to now is 66.0 secs Computing kpt #: 37 total cpu time spent up to now is 67.7 secs Computing kpt #: 38 total cpu time spent up to now is 69.4 secs Computing kpt #: 39 total cpu time spent up to now is 71.0 secs Computing kpt #: 40 total cpu time spent up to now is 72.7 secs Computing kpt #: 41 total cpu time spent up to now is 74.3 secs Computing kpt #: 42 total cpu time spent up to now is 75.9 secs Computing kpt #: 43 total cpu time spent up to now is 77.7 secs Computing kpt #: 44 total cpu time spent up to now is 79.3 secs Computing kpt #: 45 total cpu time spent up to now is 81.0 secs Computing kpt #: 46 total cpu time spent up to now is 82.6 secs Computing kpt #: 47 total cpu time spent up to now is 84.4 secs Computing kpt #: 48 total cpu time spent up to now is 86.1 secs Computing kpt #: 49 total cpu time spent up to now is 87.8 secs Computing kpt #: 50 total cpu time spent up to now is 89.4 secs Computing kpt #: 51 total cpu time spent up to now is 91.2 secs Computing kpt #: 52 total cpu time spent up to now is 92.9 secs Computing kpt #: 53 total cpu time spent up to now is 94.8 secs Computing kpt #: 54 total cpu time spent up to now is 96.9 secs Computing kpt #: 55 total cpu time spent up to now is 98.7 secs Computing kpt #: 56 total cpu time spent up to now is 100.5 secs Computing kpt #: 57 total cpu time spent up to now is 102.3 secs Computing kpt #: 58 total cpu time spent up to now is 104.0 secs Computing kpt #: 59 total cpu time spent up to now is 106.1 secs Computing kpt #: 60 total cpu time spent up to now is 107.9 secs Computing kpt #: 61 total cpu time spent up to now is 109.7 secs Computing kpt #: 62 total cpu time spent up to now is 111.8 secs Computing kpt #: 63 total cpu time spent up to now is 113.8 secs Computing kpt #: 64 total cpu time spent up to now is 115.9 secs Computing kpt #: 65 total cpu time spent up to now is 118.0 secs Computing kpt #: 66 total cpu time spent up to now is 120.1 secs Computing kpt #: 67 total cpu time spent up to now is 122.1 secs Computing kpt #: 68 total cpu time spent up to now is 124.1 secs Computing kpt #: 69 total cpu time spent up to now is 126.1 secs Computing kpt #: 70 total cpu time spent up to now is 128.3 secs Computing kpt #: 71 total cpu time spent up to now is 130.4 secs Computing kpt #: 72 total cpu time spent up to now is 132.4 secs Computing kpt #: 73 total cpu time spent up to now is 134.4 secs Computing kpt #: 74 total cpu time spent up to now is 136.4 secs Computing kpt #: 75 total cpu time spent up to now is 138.5 secs Computing kpt #: 76 total cpu time spent up to now is 140.6 secs Computing kpt #: 77 total cpu time spent up to now is 142.7 secs Computing kpt #: 78 total cpu time spent up to now is 144.7 secs Computing kpt #: 79 total cpu time spent up to now is 146.9 secs Computing kpt #: 80 total cpu time spent up to now is 149.1 secs Computing kpt #: 81 total cpu time spent up to now is 151.2 secs Computing kpt #: 82 total cpu time spent up to now is 153.4 secs Computing kpt #: 83 total cpu time spent up to now is 155.9 secs Computing kpt #: 84 total cpu time spent up to now is 158.6 secs Computing kpt #: 85 total cpu time spent up to now is 161.9 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.5 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.2 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.8 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.5 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 91 total cpu time spent up to now is 182.8 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.9 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.7 secs Computing kpt #: 96 total cpu time spent up to now is 201.1 secs Computing kpt #: 97 total cpu time spent up to now is 203.3 secs Computing kpt #: 98 total cpu time spent up to now is 205.7 secs Computing kpt #: 99 total cpu time spent up to now is 208.0 secs Computing kpt #: 100 total cpu time spent up to now is 210.2 secs Computing kpt #: 101 total cpu time spent up to now is 212.5 secs Computing kpt #: 102 total cpu time spent up to now is 214.6 secs Computing kpt #: 103 total cpu time spent up to now is 216.9 secs Computing kpt #: 104 total cpu time spent up to now is 218.8 secs Computing kpt #: 105 total cpu time spent up to now is 221.0 secs Computing kpt #: 106 total cpu time spent up to now is 223.2 secs Computing kpt #: 107 total cpu time spent up to now is 225.4 secs Computing kpt #: 108 total cpu time spent up to now is 227.5 secs Computing kpt #: 109 total cpu time spent up to now is 229.5 secs Computing kpt #: 110 total cpu time spent up to now is 231.4 secs Computing kpt #: 111 total cpu time spent up to now is 233.3 secs Computing kpt #: 112 total cpu time spent up to now is 235.2 secs Computing kpt #: 113 total cpu time spent up to now is 237.1 secs Computing kpt #: 114 total cpu time spent up to now is 239.0 secs Computing kpt #: 115 total cpu time spent up to now is 240.8 secs Computing kpt #: 116 total cpu time spent up to now is 242.7 secs Computing kpt #: 117 total cpu time spent up to now is 244.6 secs Computing kpt #: 118 total cpu time spent up to now is 246.4 secs Computing kpt #: 119 total cpu time spent up to now is 248.2 secs Computing kpt #: 120 total cpu time spent up to now is 250.1 secs Computing kpt #: 121 total cpu time spent up to now is 251.9 secs Computing kpt #: 122 total cpu time spent up to now is 253.7 secs Computing kpt #: 123 total cpu time spent up to now is 255.5 secs Computing kpt #: 124 total cpu time spent up to now is 257.3 secs Computing kpt #: 125 total cpu time spent up to now is 259.1 secs Computing kpt #: 126 total cpu time spent up to now is 260.9 secs Computing kpt #: 127 total cpu time spent up to now is 262.6 secs Computing kpt #: 128 total cpu time spent up to now is 264.5 secs Computing kpt #: 129 total cpu time spent up to now is 266.2 secs Computing kpt #: 130 total cpu time spent up to now is 268.0 secs Computing kpt #: 131 total cpu time spent up to now is 269.8 secs Computing kpt #: 132 total cpu time spent up to now is 271.6 secs Computing kpt #: 133 total cpu time spent up to now is 273.4 secs Computing kpt #: 134 total cpu time spent up to now is 275.1 secs Computing kpt #: 135 total cpu time spent up to now is 277.0 secs Computing kpt #: 136 total cpu time spent up to now is 278.7 secs Computing kpt #: 137 total cpu time spent up to now is 280.5 secs Computing kpt #: 138 total cpu time spent up to now is 282.3 secs Computing kpt #: 139 total cpu time spent up to now is 284.1 secs Computing kpt #: 140 total cpu time spent up to now is 285.9 secs Computing kpt #: 141 total cpu time spent up to now is 287.7 secs Computing kpt #: 142 total cpu time spent up to now is 289.5 secs Computing kpt #: 143 total cpu time spent up to now is 291.5 secs Computing kpt #: 144 total cpu time spent up to now is 293.3 secs Computing kpt #: 145 total cpu time spent up to now is 295.1 secs Computing kpt #: 146 total cpu time spent up to now is 296.8 secs Computing kpt #: 147 total cpu time spent up to now is 298.6 secs Computing kpt #: 148 total cpu time spent up to now is 300.4 secs Computing kpt #: 149 total cpu time spent up to now is 302.2 secs Computing kpt #: 150 total cpu time spent up to now is 304.0 secs Computing kpt #: 151 total cpu time spent up to now is 305.8 secs Computing kpt #: 152 total cpu time spent up to now is 307.6 secs Computing kpt #: 153 total cpu time spent up to now is 309.6 secs Computing kpt #: 154 total cpu time spent up to now is 311.4 secs Computing kpt #: 155 total cpu time spent up to now is 313.4 secs Computing kpt #: 156 total cpu time spent up to now is 315.2 secs Computing kpt #: 157 total cpu time spent up to now is 317.0 secs Computing kpt #: 158 total cpu time spent up to now is 318.8 secs Computing kpt #: 159 total cpu time spent up to now is 320.6 secs Computing kpt #: 160 total cpu time spent up to now is 322.3 secs Computing kpt #: 161 total cpu time spent up to now is 323.9 secs Computing kpt #: 162 total cpu time spent up to now is 325.6 secs Computing kpt #: 163 total cpu time spent up to now is 327.2 secs Computing kpt #: 164 total cpu time spent up to now is 328.8 secs Computing kpt #: 165 total cpu time spent up to now is 330.5 secs Computing kpt #: 166 total cpu time spent up to now is 332.1 secs Computing kpt #: 167 total cpu time spent up to now is 333.8 secs Computing kpt #: 168 total cpu time spent up to now is 335.4 secs Computing kpt #: 169 total cpu time spent up to now is 337.1 secs Computing kpt #: 170 total cpu time spent up to now is 338.7 secs Computing kpt #: 171 total cpu time spent up to now is 340.4 secs Computing kpt #: 172 total cpu time spent up to now is 342.0 secs Computing kpt #: 173 total cpu time spent up to now is 343.7 secs Computing kpt #: 174 total cpu time spent up to now is 345.4 secs Computing kpt #: 175 total cpu time spent up to now is 347.2 secs Computing kpt #: 176 total cpu time spent up to now is 349.1 secs Computing kpt #: 177 total cpu time spent up to now is 351.0 secs Computing kpt #: 178 total cpu time spent up to now is 352.9 secs Computing kpt #: 179 total cpu time spent up to now is 354.8 secs Computing kpt #: 180 total cpu time spent up to now is 356.7 secs Computing kpt #: 181 total cpu time spent up to now is 358.8 secs Computing kpt #: 182 total cpu time spent up to now is 360.7 secs Computing kpt #: 183 total cpu time spent up to now is 362.7 secs Computing kpt #: 184 total cpu time spent up to now is 364.7 secs Computing kpt #: 185 total cpu time spent up to now is 366.6 secs Computing kpt #: 186 total cpu time spent up to now is 368.6 secs Computing kpt #: 187 total cpu time spent up to now is 370.5 secs Computing kpt #: 188 total cpu time spent up to now is 372.8 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.3 secs Computing kpt #: 190 total cpu time spent up to now is 378.6 secs Computing kpt #: 191 total cpu time spent up to now is 380.8 secs Computing kpt #: 192 total cpu time spent up to now is 382.9 secs Computing kpt #: 193 total cpu time spent up to now is 384.8 secs Computing kpt #: 194 total cpu time spent up to now is 386.8 secs Computing kpt #: 195 total cpu time spent up to now is 388.9 secs Computing kpt #: 196 total cpu time spent up to now is 390.9 secs Computing kpt #: 197 total cpu time spent up to now is 393.1 secs Computing kpt #: 198 total cpu time spent up to now is 395.7 secs Computing kpt #: 199 total cpu time spent up to now is 397.9 secs Computing kpt #: 200 total cpu time spent up to now is 399.9 secs Computing kpt #: 201 total cpu time spent up to now is 401.8 secs Computing kpt #: 202 total cpu time spent up to now is 403.8 secs Computing kpt #: 203 total cpu time spent up to now is 405.7 secs Computing kpt #: 204 total cpu time spent up to now is 407.7 secs Computing kpt #: 205 total cpu time spent up to now is 409.6 secs Computing kpt #: 206 total cpu time spent up to now is 411.4 secs Computing kpt #: 207 total cpu time spent up to now is 413.3 secs Computing kpt #: 208 total cpu time spent up to now is 415.2 secs Computing kpt #: 209 total cpu time spent up to now is 417.0 secs Computing kpt #: 210 total cpu time spent up to now is 418.9 secs Computing kpt #: 211 total cpu time spent up to now is 420.7 secs Computing kpt #: 212 total cpu time spent up to now is 422.5 secs Computing kpt #: 213 total cpu time spent up to now is 424.3 secs Computing kpt #: 214 total cpu time spent up to now is 426.1 secs Computing kpt #: 215 total cpu time spent up to now is 427.9 secs Computing kpt #: 216 total cpu time spent up to now is 429.6 secs Computing kpt #: 217 total cpu time spent up to now is 431.4 secs Computing kpt #: 218 total cpu time spent up to now is 433.2 secs Computing kpt #: 219 total cpu time spent up to now is 435.0 secs Computing kpt #: 220 total cpu time spent up to now is 436.7 secs Computing kpt #: 221 total cpu time spent up to now is 438.5 secs Computing kpt #: 222 total cpu time spent up to now is 440.3 secs Computing kpt #: 223 total cpu time spent up to now is 442.0 secs Computing kpt #: 224 total cpu time spent up to now is 443.8 secs Computing kpt #: 225 total cpu time spent up to now is 445.6 secs Computing kpt #: 226 total cpu time spent up to now is 447.3 secs Computing kpt #: 227 total cpu time spent up to now is 449.1 secs Computing kpt #: 228 total cpu time spent up to now is 450.9 secs Computing kpt #: 229 total cpu time spent up to now is 452.7 secs Computing kpt #: 230 total cpu time spent up to now is 454.5 secs Computing kpt #: 231 total cpu time spent up to now is 456.3 secs Computing kpt #: 232 total cpu time spent up to now is 458.1 secs Computing kpt #: 233 total cpu time spent up to now is 459.9 secs Computing kpt #: 234 total cpu time spent up to now is 461.7 secs Computing kpt #: 235 total cpu time spent up to now is 463.5 secs Computing kpt #: 236 total cpu time spent up to now is 465.3 secs Computing kpt #: 237 total cpu time spent up to now is 467.0 secs Computing kpt #: 238 total cpu time spent up to now is 468.8 secs Computing kpt #: 239 total cpu time spent up to now is 470.6 secs Computing kpt #: 240 total cpu time spent up to now is 472.4 secs Computing kpt #: 241 total cpu time spent up to now is 474.2 secs Computing kpt #: 242 total cpu time spent up to now is 476.0 secs Computing kpt #: 243 total cpu time spent up to now is 477.7 secs Computing kpt #: 244 total cpu time spent up to now is 479.5 secs Computing kpt #: 245 total cpu time spent up to now is 481.3 secs Computing kpt #: 246 total cpu time spent up to now is 483.2 secs Computing kpt #: 247 total cpu time spent up to now is 485.0 secs Computing kpt #: 248 total cpu time spent up to now is 486.9 secs Computing kpt #: 249 total cpu time spent up to now is 488.7 secs Computing kpt #: 250 total cpu time spent up to now is 490.6 secs Computing kpt #: 251 total cpu time spent up to now is 492.5 secs Computing kpt #: 252 total cpu time spent up to now is 494.4 secs Computing kpt #: 253 total cpu time spent up to now is 496.3 secs Computing kpt #: 254 total cpu time spent up to now is 498.1 secs Computing kpt #: 255 total cpu time spent up to now is 499.9 secs Computing kpt #: 256 total cpu time spent up to now is 501.7 secs Computing kpt #: 257 total cpu time spent up to now is 503.5 secs Computing kpt #: 258 total cpu time spent up to now is 505.3 secs Computing kpt #: 259 total cpu time spent up to now is 507.5 secs Computing kpt #: 260 total cpu time spent up to now is 509.7 secs Computing kpt #: 261 total cpu time spent up to now is 511.8 secs Computing kpt #: 262 total cpu time spent up to now is 514.0 secs Computing kpt #: 263 total cpu time spent up to now is 516.2 secs Computing kpt #: 264 total cpu time spent up to now is 518.1 secs Computing kpt #: 265 total cpu time spent up to now is 520.3 secs Computing kpt #: 266 total cpu time spent up to now is 522.5 secs Computing kpt #: 267 total cpu time spent up to now is 524.6 secs Computing kpt #: 268 total cpu time spent up to now is 526.7 secs Computing kpt #: 269 total cpu time spent up to now is 528.6 secs Computing kpt #: 270 total cpu time spent up to now is 530.6 secs Computing kpt #: 271 total cpu time spent up to now is 532.5 secs Computing kpt #: 272 total cpu time spent up to now is 534.4 secs Computing kpt #: 273 total cpu time spent up to now is 536.2 secs Computing kpt #: 274 total cpu time spent up to now is 538.1 secs Computing kpt #: 275 total cpu time spent up to now is 539.9 secs Computing kpt #: 276 total cpu time spent up to now is 541.8 secs Computing kpt #: 277 total cpu time spent up to now is 543.6 secs Computing kpt #: 278 total cpu time spent up to now is 545.4 secs Computing kpt #: 279 total cpu time spent up to now is 547.2 secs Computing kpt #: 280 total cpu time spent up to now is 549.1 secs Computing kpt #: 281 total cpu time spent up to now is 550.9 secs Computing kpt #: 282 total cpu time spent up to now is 552.7 secs Computing kpt #: 283 total cpu time spent up to now is 554.6 secs Computing kpt #: 284 total cpu time spent up to now is 556.4 secs Computing kpt #: 285 total cpu time spent up to now is 558.2 secs Computing kpt #: 286 total cpu time spent up to now is 560.0 secs Computing kpt #: 287 total cpu time spent up to now is 561.8 secs Computing kpt #: 288 total cpu time spent up to now is 563.6 secs Computing kpt #: 289 total cpu time spent up to now is 565.3 secs Computing kpt #: 290 total cpu time spent up to now is 567.0 secs Computing kpt #: 291 total cpu time spent up to now is 568.8 secs Computing kpt #: 292 total cpu time spent up to now is 570.6 secs Computing kpt #: 293 total cpu time spent up to now is 572.4 secs Computing kpt #: 294 total cpu time spent up to now is 574.2 secs Computing kpt #: 295 total cpu time spent up to now is 575.9 secs Computing kpt #: 296 total cpu time spent up to now is 577.7 secs Computing kpt #: 297 total cpu time spent up to now is 579.5 secs Computing kpt #: 298 total cpu time spent up to now is 581.3 secs Computing kpt #: 299 total cpu time spent up to now is 583.0 secs ethr = 2.27E-08, avg # of iterations = 39.5 total cpu time spent up to now is 583.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 18365 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4642 -19.4642 -19.3279 -19.3279 -17.9192 -17.9192 -17.8897 -17.8897 -9.0137 -9.0137 -8.3909 -8.3909 -5.3272 -5.3272 -5.0547 -5.0547 -4.8941 -4.8941 -4.6405 -4.6405 -4.4873 -4.4873 -3.9036 -3.9036 -2.2261 -2.2261 -2.1852 -2.1852 -1.8829 -1.8829 -1.7183 -1.7183 -1.2747 -1.2747 -1.0551 -1.0551 -0.9397 -0.9397 -0.4213 -0.4213 5.3571 5.3571 5.4302 5.4302 6.7002 6.7002 6.8205 6.8205 k = 0.0139 0.0079-0.0053 ( 18382 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4641 -19.4641 -19.3279 -19.3279 -17.9191 -17.9191 -17.8899 -17.8899 -9.0132 -9.0132 -8.3918 -8.3918 -5.3265 -5.3265 -5.0553 -5.0553 -4.8933 -4.8933 -4.6403 -4.6403 -4.4867 -4.4867 -3.9048 -3.9048 -2.2257 -2.2257 -2.1857 -2.1857 -1.8823 -1.8823 -1.7188 -1.7188 -1.2747 -1.2747 -1.0554 -1.0554 -0.9401 -0.9401 -0.4211 -0.4211 5.3577 5.3577 5.4316 5.4316 6.6994 6.6994 6.8198 6.8198 k = 0.0278 0.0158-0.0105 ( 18389 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4637 -19.4637 -19.3282 -19.3282 -17.9187 -17.9187 -17.8904 -17.8904 -9.0117 -9.0117 -8.3945 -8.3945 -5.3241 -5.3241 -5.0570 -5.0570 -4.8909 -4.8909 -4.6395 -4.6395 -4.4850 -4.4850 -3.9083 -3.9083 -2.2245 -2.2245 -2.1870 -2.1870 -1.8807 -1.8807 -1.7204 -1.7204 -1.2746 -1.2746 -1.0563 -1.0563 -0.9414 -0.9414 -0.4207 -0.4207 5.3595 5.3595 5.4358 5.4358 6.6969 6.6969 6.8178 6.8178 k = 0.0417 0.0237-0.0158 ( 18387 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4632 -19.4632 -19.3286 -19.3286 -17.9181 -17.9181 -17.8912 -17.8912 -9.0091 -9.0091 -8.3989 -8.3989 -5.3203 -5.3203 -5.0599 -5.0599 -4.8870 -4.8870 -4.6382 -4.6382 -4.4822 -4.4822 -3.9141 -3.9141 -2.2226 -2.2226 -2.1891 -2.1891 -1.8781 -1.8781 -1.7230 -1.7230 -1.2745 -1.2745 -1.0578 -1.0578 -0.9435 -0.9435 -0.4199 -0.4199 5.3625 5.3625 5.4428 5.4428 6.6925 6.6925 6.8147 6.8147 k = 0.0556 0.0315-0.0211 ( 18380 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4624 -19.4624 -19.3292 -19.3292 -17.9173 -17.9173 -17.8924 -17.8924 -9.0056 -9.0056 -8.4051 -8.4051 -5.3150 -5.3150 -5.0638 -5.0638 -4.8817 -4.8817 -4.6364 -4.6364 -4.4781 -4.4781 -3.9222 -3.9222 -2.2198 -2.2198 -2.1920 -2.1920 -1.8744 -1.8744 -1.7266 -1.7266 -1.2743 -1.2743 -1.0601 -1.0601 -0.9465 -0.9465 -0.4189 -0.4189 5.3668 5.3668 5.4523 5.4523 6.6859 6.6859 6.8109 6.8109 k = 0.0694 0.0394-0.0263 ( 18383 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4614 -19.4614 -19.3300 -19.3300 -17.9163 -17.9163 -17.8939 -17.8939 -9.0011 -9.0011 -8.4128 -8.4128 -5.3083 -5.3083 -5.0688 -5.0688 -4.8750 -4.8750 -4.6342 -4.6342 -4.4728 -4.4728 -3.9324 -3.9324 -2.2163 -2.2163 -2.1956 -2.1956 -1.8696 -1.8696 -1.7313 -1.7313 -1.2739 -1.2739 -1.0631 -1.0631 -0.9502 -0.9502 -0.4177 -0.4177 5.3723 5.3723 5.4643 5.4643 6.6767 6.6767 6.8067 6.8067 k = 0.0833 0.0473-0.0316 ( 18380 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4601 -19.4601 -19.3309 -19.3309 -17.9150 -17.9150 -17.8957 -17.8957 -8.9956 -8.9956 -8.4221 -8.4221 -5.3003 -5.3003 -5.0746 -5.0746 -4.8673 -4.8673 -4.6317 -4.6317 -4.4661 -4.4661 -3.9447 -3.9447 -2.2121 -2.2121 -2.1998 -2.1998 -1.8639 -1.8639 -1.7369 -1.7369 -1.2733 -1.2733 -1.0670 -1.0670 -0.9546 -0.9546 -0.4163 -0.4163 5.3791 5.3791 5.4786 5.4786 6.6646 6.6646 6.8025 6.8025 k = 0.0972 0.0552-0.0369 ( 18378 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4587 -19.4587 -19.3320 -19.3320 -17.9135 -17.9135 -17.8978 -17.8978 -8.9893 -8.9893 -8.4327 -8.4327 -5.2911 -5.2911 -5.0813 -5.0813 -4.8588 -4.8588 -4.6289 -4.6289 -4.4579 -4.4579 -3.9590 -3.9590 -2.2074 -2.2074 -2.2043 -2.2043 -1.8572 -1.8572 -1.7435 -1.7435 -1.2725 -1.2725 -1.0718 -1.0718 -0.9597 -0.9597 -0.4148 -0.4148 5.3870 5.3870 5.4950 5.4950 6.6493 6.6493 6.7987 6.7987 k = 0.1111 0.0631-0.0422 ( 18368 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4571 -19.4571 -19.3332 -19.3332 -17.9119 -17.9119 -17.9001 -17.9001 -8.9821 -8.9821 -8.4447 -8.4447 -5.2807 -5.2807 -5.0887 -5.0887 -4.8497 -4.8497 -4.6259 -4.6259 -4.4480 -4.4480 -3.9750 -3.9750 -2.2098 -2.2098 -2.2014 -2.2014 -1.8495 -1.8495 -1.7509 -1.7509 -1.2716 -1.2716 -1.0776 -1.0776 -0.9653 -0.9653 -0.4133 -0.4133 5.3959 5.3959 5.5134 5.5134 6.6310 6.6310 6.7953 6.7953 k = 0.1250 0.0710-0.0474 ( 18369 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4553 -19.4553 -19.3345 -19.3345 -17.9101 -17.9101 -17.9027 -17.9027 -8.9740 -8.9740 -8.4577 -8.4577 -5.2694 -5.2694 -5.0967 -5.0967 -4.8403 -4.8403 -4.6228 -4.6228 -4.4365 -4.4365 -3.9927 -3.9927 -2.2152 -2.2152 -2.1953 -2.1953 -1.8409 -1.8409 -1.7590 -1.7590 -1.2705 -1.2705 -1.0846 -1.0846 -0.9715 -0.9715 -0.4117 -0.4117 5.4058 5.4058 5.5335 5.5335 6.6099 6.6099 6.7923 6.7923 k = 0.1389 0.0788-0.0527 ( 18370 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4533 -19.4533 -19.3360 -19.3360 -17.9082 -17.9082 -17.9054 -17.9054 -8.9653 -8.9653 -8.4717 -8.4717 -5.2572 -5.2572 -5.1052 -5.1052 -4.8311 -4.8311 -4.6196 -4.6196 -4.4230 -4.4230 -4.0118 -4.0118 -2.2208 -2.2208 -2.1885 -2.1885 -1.8315 -1.8315 -1.7677 -1.7677 -1.2692 -1.2692 -1.0927 -1.0927 -0.9782 -0.9782 -0.4102 -0.4102 5.4164 5.4164 5.5552 5.5552 6.5863 6.5863 6.7894 6.7894 k = 0.1528 0.0867-0.0580 ( 18366 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4512 -19.4512 -19.3375 -19.3375 -17.9090 -17.9090 -17.9056 -17.9056 -8.9558 -8.9558 -8.4866 -8.4866 -5.2441 -5.2441 -5.1141 -5.1141 -4.8223 -4.8223 -4.6164 -4.6164 -4.4076 -4.4076 -4.0322 -4.0322 -2.2265 -2.2265 -2.1813 -2.1813 -1.8213 -1.8213 -1.7769 -1.7769 -1.2679 -1.2679 -1.1021 -1.1021 -0.9852 -0.9852 -0.4087 -0.4087 5.4277 5.4277 5.5782 5.5782 6.5609 6.5609 6.7866 6.7866 k = 0.1667 0.0946-0.0632 ( 18371 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4489 -19.4489 -19.3392 -19.3392 -17.9122 -17.9122 -17.9034 -17.9034 -8.9458 -8.9458 -8.5020 -8.5020 -5.2304 -5.2304 -5.1234 -5.1234 -4.8143 -4.8143 -4.6132 -4.6132 -4.3901 -4.3901 -4.0537 -4.0537 -2.2321 -2.2321 -2.1736 -2.1736 -1.8103 -1.8103 -1.7862 -1.7862 -1.2666 -1.2666 -1.1126 -1.1126 -0.9925 -0.9925 -0.4075 -0.4075 5.4393 5.4393 5.6023 5.6023 6.5341 6.5341 6.7835 6.7835 k = 0.1806 0.1025-0.0685 ( 18369 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4465 -19.4465 -19.3409 -19.3409 -17.9156 -17.9156 -17.9011 -17.9011 -8.9353 -8.9353 -8.5180 -8.5180 -5.2160 -5.2160 -5.1328 -5.1328 -4.8074 -4.8074 -4.6101 -4.6101 -4.3706 -4.3706 -4.0759 -4.0759 -2.2377 -2.2377 -2.1654 -2.1654 -1.7997 -1.7997 -1.7947 -1.7947 -1.2655 -1.2655 -1.1244 -1.1244 -1.0001 -1.0001 -0.4064 -0.4064 5.4511 5.4511 5.6272 5.6272 6.5066 6.5066 6.7799 6.7799 k = 0.1944 0.1104-0.0738 ( 18381 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4440 -19.4440 -19.3427 -19.3427 -17.9192 -17.9192 -17.8986 -17.8986 -8.9243 -8.9243 -8.5341 -8.5341 -5.2012 -5.2012 -5.1423 -5.1423 -4.8019 -4.8019 -4.6072 -4.6072 -4.3492 -4.3492 -4.0986 -4.0986 -2.2432 -2.2432 -2.1570 -2.1570 -1.8056 -1.8056 -1.7858 -1.7858 -1.2646 -1.2646 -1.1374 -1.1374 -1.0078 -1.0078 -0.4056 -0.4056 5.4629 5.4629 5.6525 5.6525 6.4791 6.4791 6.7755 6.7755 k = 0.2083 0.1183-0.0790 ( 18378 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4414 -19.4414 -19.3446 -19.3446 -17.9230 -17.9230 -17.8960 -17.8960 -8.9132 -8.9132 -8.5504 -8.5504 -5.1863 -5.1863 -5.1515 -5.1515 -4.7978 -4.7978 -4.6044 -4.6044 -4.3261 -4.3261 -4.1214 -4.1214 -2.2483 -2.2483 -2.1483 -2.1483 -1.8146 -1.8146 -1.7730 -1.7730 -1.2640 -1.2640 -1.1516 -1.1516 -1.0156 -1.0156 -0.4051 -0.4051 5.4744 5.4744 5.6781 5.6781 6.4523 6.4523 6.7702 6.7702 k = 0.2222 0.1261-0.0843 ( 18368 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4387 -19.4387 -19.3465 -19.3465 -17.9269 -17.9269 -17.8934 -17.8934 -8.9018 -8.9018 -8.5666 -8.5666 -5.1729 -5.1729 -5.1587 -5.1587 -4.7953 -4.7953 -4.6018 -4.6018 -4.3019 -4.3019 -4.1438 -4.1438 -2.2532 -2.2532 -2.1395 -2.1395 -1.8232 -1.8232 -1.7596 -1.7596 -1.2638 -1.2638 -1.1669 -1.1669 -1.0235 -1.0235 -0.4048 -0.4048 5.4852 5.4852 5.7034 5.7034 6.4269 6.4269 6.7638 6.7638 k = 0.2361 0.1340-0.0896 ( 18371 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4360 -19.4360 -19.3484 -19.3484 -17.9308 -17.9308 -17.8907 -17.8907 -8.8905 -8.8905 -8.5824 -8.5824 -5.1739 -5.1739 -5.1513 -5.1513 -4.7945 -4.7945 -4.5994 -4.5994 -4.2780 -4.2780 -4.1644 -4.1644 -2.2578 -2.2578 -2.1305 -2.1305 -1.8313 -1.8313 -1.7458 -1.7458 -1.2641 -1.2641 -1.1832 -1.1832 -1.0313 -1.0313 -0.4049 -0.4049 5.4952 5.4952 5.7282 5.7282 6.4036 6.4036 6.7561 6.7561 k = 0.2500 0.1419-0.0948 ( 18366 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4332 -19.4332 -19.3504 -19.3504 -17.9348 -17.9348 -17.8880 -17.8880 -8.8794 -8.8794 -8.5977 -8.5977 -5.1824 -5.1824 -5.1360 -5.1360 -4.7952 -4.7952 -4.5973 -4.5973 -4.2581 -4.2581 -4.1795 -4.1795 -2.2619 -2.2619 -2.1214 -2.1214 -1.8386 -1.8386 -1.7317 -1.7317 -1.2650 -1.2650 -1.2004 -1.2004 -1.0390 -1.0390 -0.4053 -0.4053 5.5040 5.5040 5.7520 5.7520 6.3831 6.3831 6.7472 6.7472 k = 0.2639 0.1498-0.1001 ( 18364 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4304 -19.4304 -19.3523 -19.3523 -17.9388 -17.9388 -17.8854 -17.8854 -8.8687 -8.8687 -8.6121 -8.6121 -5.1913 -5.1913 -5.1199 -5.1199 -4.7973 -4.7973 -4.5953 -4.5953 -4.2522 -4.2522 -4.1794 -4.1794 -2.2657 -2.2657 -2.1124 -2.1124 -1.8451 -1.8451 -1.7173 -1.7173 -1.2665 -1.2665 -1.2184 -1.2184 -1.0467 -1.0467 -0.4061 -0.4061 5.5113 5.5113 5.7746 5.7746 6.3660 6.3660 6.7371 6.7371 k = 0.2778 0.1577-0.1054 ( 18371 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4276 -19.4276 -19.3542 -19.3542 -17.9428 -17.9428 -17.8827 -17.8827 -8.8587 -8.8587 -8.6255 -8.6255 -5.2002 -5.2002 -5.1038 -5.1038 -4.8006 -4.8006 -4.5935 -4.5935 -4.2634 -4.2634 -4.1612 -4.1612 -2.2690 -2.2690 -2.1035 -2.1035 -1.8507 -1.8507 -1.7028 -1.7028 -1.2689 -1.2689 -1.2368 -1.2368 -1.0541 -1.0541 -0.4072 -0.4072 5.5169 5.5169 5.7957 5.7957 6.3527 6.3527 6.7257 6.7257 k = 0.2917 0.1656-0.1107 ( 18373 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4248 -19.4248 -19.3561 -19.3561 -17.9467 -17.9467 -17.8801 -17.8801 -8.8497 -8.8497 -8.6375 -8.6375 -5.2088 -5.2088 -5.0878 -5.0878 -4.8048 -4.8048 -4.5920 -4.5920 -4.2820 -4.2820 -4.1347 -4.1347 -2.2718 -2.2718 -2.0948 -2.0948 -1.8552 -1.8552 -1.6883 -1.6883 -1.2729 -1.2729 -1.2549 -1.2549 -1.0613 -1.0613 -0.4086 -0.4086 5.5205 5.5205 5.8151 5.8151 6.3437 6.3437 6.7132 6.7132 k = 0.3056 0.1734-0.1159 ( 18374 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4221 -19.4221 -19.3580 -19.3580 -17.9506 -17.9506 -17.8776 -17.8776 -8.8419 -8.8419 -8.6479 -8.6479 -5.2171 -5.2171 -5.0724 -5.0724 -4.8095 -4.8095 -4.5906 -4.5906 -4.3028 -4.3028 -4.1055 -4.1055 -2.2742 -2.2742 -2.0863 -2.0863 -1.8588 -1.8588 -1.6738 -1.6738 -1.2822 -1.2822 -1.2685 -1.2685 -1.0682 -1.0682 -0.4102 -0.4102 5.5220 5.5220 5.8327 5.8327 6.3388 6.3388 6.6998 6.6998 k = 0.3194 0.1813-0.1212 ( 18371 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4194 -19.4194 -19.3598 -19.3598 -17.9543 -17.9543 -17.8752 -17.8752 -8.8358 -8.8358 -8.6562 -8.6562 -5.2250 -5.2250 -5.0576 -5.0576 -4.8143 -4.8143 -4.5894 -4.5894 -4.3241 -4.3241 -4.0756 -4.0756 -2.2761 -2.2761 -2.0781 -2.0781 -1.8612 -1.8612 -1.6596 -1.6596 -1.2995 -1.2995 -1.2750 -1.2750 -1.0748 -1.0748 -0.4122 -0.4122 5.5214 5.5214 5.8488 5.8488 6.3380 6.3380 6.6858 6.6858 k = 0.3333 0.1892-0.1265 ( 18375 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4168 -19.4168 -19.3615 -19.3615 -17.9579 -17.9579 -17.8728 -17.8728 -8.8314 -8.8314 -8.6623 -8.6623 -5.2325 -5.2325 -5.0440 -5.0440 -4.8187 -4.8187 -4.5884 -4.5884 -4.3454 -4.3454 -4.0459 -4.0459 -2.2776 -2.2776 -2.0702 -2.0702 -1.8627 -1.8627 -1.6458 -1.6458 -1.3189 -1.3189 -1.2799 -1.2799 -1.0811 -1.0811 -0.4143 -0.4143 5.5188 5.5188 5.8634 5.8634 6.3405 6.3405 6.6715 6.6715 k = 0.3472 0.1971-0.1317 ( 18381 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4143 -19.4143 -19.3632 -19.3632 -17.9614 -17.9614 -17.8706 -17.8706 -8.8290 -8.8290 -8.6661 -8.6661 -5.2395 -5.2395 -5.0319 -5.0319 -4.8222 -4.8222 -4.5876 -4.5876 -4.3663 -4.3663 -4.0168 -4.0168 -2.2786 -2.2786 -2.0628 -2.0628 -1.8631 -1.8631 -1.6324 -1.6324 -1.3385 -1.3385 -1.2848 -1.2848 -1.0870 -1.0870 -0.4166 -0.4166 5.5143 5.5143 5.8769 5.8769 6.3457 6.3457 6.6572 6.6572 k = 0.3611 0.2050-0.1370 ( 18365 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4119 -19.4119 -19.3647 -19.3647 -17.9646 -17.9646 -17.8685 -17.8685 -8.8285 -8.8285 -8.6678 -8.6678 -5.2460 -5.2460 -5.0218 -5.0218 -4.8240 -4.8240 -4.5868 -4.5868 -4.3868 -4.3868 -3.9889 -3.9889 -2.2793 -2.2793 -2.0558 -2.0558 -1.8627 -1.8627 -1.6196 -1.6196 -1.3579 -1.3579 -1.2899 -1.2899 -1.0925 -1.0925 -0.4190 -0.4190 5.5083 5.5083 5.8895 5.8895 6.3528 6.3528 6.6434 6.6434 k = 0.3750 0.2129-0.1423 ( 18362 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4097 -19.4097 -19.3662 -19.3662 -17.9676 -17.9676 -17.8665 -17.8665 -8.8297 -8.8297 -8.6675 -8.6675 -5.2520 -5.2520 -5.0139 -5.0139 -4.8238 -4.8238 -4.5862 -4.5862 -4.4066 -4.4066 -3.9625 -3.9625 -2.2795 -2.2795 -2.0494 -2.0494 -1.8615 -1.8615 -1.6076 -1.6076 -1.3766 -1.3766 -1.2951 -1.2951 -1.0975 -1.0975 -0.4214 -0.4214 5.5013 5.5013 5.9013 5.9013 6.3607 6.3607 6.6304 6.6304 k = 0.3889 0.2208-0.1475 ( 18359 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4077 -19.4077 -19.3676 -19.3676 -17.9704 -17.9704 -17.8648 -17.8648 -8.8320 -8.8320 -8.6657 -8.6657 -5.2573 -5.2573 -5.0085 -5.0085 -4.8212 -4.8212 -4.5857 -4.5857 -4.4257 -4.4257 -3.9380 -3.9380 -2.2795 -2.2795 -2.0435 -2.0435 -1.8597 -1.8597 -1.5964 -1.5964 -1.3944 -1.3944 -1.3003 -1.3003 -1.1021 -1.1021 -0.4239 -0.4239 5.4935 5.4935 5.9125 5.9125 6.3685 6.3685 6.6188 6.6188 k = 0.4028 0.2286-0.1528 ( 18360 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4058 -19.4058 -19.3688 -19.3688 -17.9729 -17.9729 -17.8632 -17.8632 -8.8351 -8.8351 -8.6630 -8.6630 -5.2622 -5.2622 -5.0053 -5.0053 -4.8163 -4.8163 -4.5853 -4.5853 -4.4440 -4.4440 -3.9156 -3.9156 -2.2792 -2.2792 -2.0382 -2.0382 -1.8574 -1.8574 -1.5862 -1.5862 -1.4111 -1.4111 -1.3054 -1.3054 -1.1062 -1.1062 -0.4262 -0.4262 5.4855 5.4855 5.9229 5.9229 6.3756 6.3756 6.6089 6.6089 k = 0.4167 0.2365-0.1581 ( 18364 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4041 -19.4041 -19.3699 -19.3699 -17.9751 -17.9751 -17.8618 -17.8618 -8.8385 -8.8385 -8.6598 -8.6598 -5.2664 -5.2664 -5.0042 -5.0042 -4.8096 -4.8096 -4.5850 -4.5850 -4.4612 -4.4612 -3.8956 -3.8956 -2.2788 -2.2788 -2.0335 -2.0335 -1.8548 -1.8548 -1.5771 -1.5771 -1.4262 -1.4262 -1.3103 -1.3103 -1.1097 -1.1097 -0.4284 -0.4284 5.4777 5.4777 5.9326 5.9326 6.3812 6.3812 6.6011 6.6011 k = 0.4306 0.2444-0.1633 ( 18380 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4027 -19.4027 -19.3709 -19.3709 -17.9770 -17.9770 -17.8606 -17.8606 -8.8419 -8.8419 -8.6565 -8.6565 -5.2700 -5.2700 -5.0044 -5.0044 -4.8017 -4.8017 -4.5848 -4.5848 -4.4770 -4.4770 -3.8783 -3.8783 -2.2782 -2.2782 -2.0295 -2.0295 -1.8521 -1.8521 -1.5692 -1.5692 -1.4397 -1.4397 -1.3148 -1.3148 -1.1128 -1.1128 -0.4304 -0.4304 5.4705 5.4705 5.9414 5.9414 6.3852 6.3852 6.5953 6.5953 k = 0.4444 0.2523-0.1686 ( 18376 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4014 -19.4014 -19.3717 -19.3717 -17.9786 -17.9786 -17.8596 -17.8596 -8.8450 -8.8450 -8.6534 -8.6534 -5.2729 -5.2729 -5.0055 -5.0055 -4.7935 -4.7935 -4.5846 -4.5846 -4.4910 -4.4910 -3.8639 -3.8639 -2.2776 -2.2776 -2.0262 -2.0262 -1.8495 -1.8495 -1.5626 -1.5626 -1.4511 -1.4511 -1.3187 -1.3187 -1.1153 -1.1153 -0.4321 -0.4321 5.4641 5.4641 5.9490 5.9490 6.3876 6.3876 6.5914 6.5914 k = 0.4583 0.2602-0.1739 ( 18386 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4004 -19.4004 -19.3724 -19.3724 -17.9799 -17.9799 -17.8588 -17.8588 -8.8477 -8.8477 -8.6508 -8.6508 -5.2752 -5.2752 -5.0069 -5.0069 -4.7857 -4.7857 -4.5844 -4.5844 -4.5028 -4.5028 -3.8524 -3.8524 -2.2770 -2.2770 -2.0236 -2.0236 -1.8472 -1.8472 -1.5574 -1.5574 -1.4603 -1.4603 -1.3219 -1.3219 -1.1173 -1.1173 -0.4335 -0.4335 5.4589 5.4589 5.9552 5.9552 6.3888 6.3888 6.5891 6.5891 k = 0.4722 0.2681-0.1791 ( 18394 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3997 -19.3997 -19.3728 -19.3728 -17.9808 -17.9808 -17.8582 -17.8582 -8.8496 -8.8496 -8.6488 -8.6488 -5.2769 -5.2769 -5.0082 -5.0082 -4.7793 -4.7793 -4.5843 -4.5843 -4.5119 -4.5119 -3.8442 -3.8442 -2.2766 -2.2766 -2.0218 -2.0218 -1.8455 -1.8455 -1.5537 -1.5537 -1.4670 -1.4670 -1.3243 -1.3243 -1.1187 -1.1187 -0.4345 -0.4345 5.4551 5.4551 5.9599 5.9599 6.3891 6.3891 6.5879 6.5879 k = 0.4861 0.2759-0.1844 ( 18393 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3993 -19.3993 -19.3731 -19.3731 -17.9813 -17.9813 -17.8579 -17.8579 -8.8508 -8.8508 -8.6476 -8.6476 -5.2779 -5.2779 -5.0091 -5.0091 -4.7751 -4.7751 -4.5842 -4.5842 -4.5176 -4.5176 -3.8392 -3.8392 -2.2763 -2.2763 -2.0206 -2.0206 -1.8444 -1.8444 -1.5514 -1.5514 -1.4711 -1.4711 -1.3257 -1.3257 -1.1195 -1.1195 -0.4351 -0.4351 5.4527 5.4527 5.9627 5.9627 6.3890 6.3890 6.5874 6.5874 k = 0.5000 0.2838-0.1897 ( 18384 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3992 -19.3992 -19.3732 -19.3732 -17.9815 -17.9815 -17.8578 -17.8578 -8.8513 -8.8513 -8.6471 -8.6471 -5.2782 -5.2782 -5.0094 -5.0094 -4.7737 -4.7737 -4.5842 -4.5842 -4.5196 -4.5196 -3.8375 -3.8375 -2.2762 -2.2762 -2.0203 -2.0203 -1.8440 -1.8440 -1.5507 -1.5507 -1.4725 -1.4725 -1.3262 -1.3262 -1.1198 -1.1198 -0.4353 -0.4353 5.4519 5.4519 5.9637 5.9637 6.3890 6.3890 6.5873 6.5873 k = 0.5000 0.2838-0.1897 ( 18384 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3992 -19.3992 -19.3732 -19.3732 -17.9815 -17.9815 -17.8578 -17.8578 -8.8513 -8.8513 -8.6471 -8.6471 -5.2782 -5.2782 -5.0094 -5.0094 -4.7737 -4.7737 -4.5842 -4.5842 -4.5196 -4.5196 -3.8375 -3.8375 -2.2762 -2.2762 -2.0203 -2.0203 -1.8440 -1.8440 -1.5507 -1.5507 -1.4725 -1.4725 -1.3262 -1.3262 -1.1198 -1.1198 -0.4353 -0.4353 5.4519 5.4519 5.9637 5.9637 6.3890 6.3890 6.5873 6.5873 k = 0.5047 0.2865-0.1735 ( 18387 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3992 -19.3992 -19.3732 -19.3732 -17.9815 -17.9815 -17.8578 -17.8578 -8.8518 -8.8518 -8.6466 -8.6466 -5.2777 -5.2777 -5.0098 -5.0098 -4.7743 -4.7743 -4.5849 -4.5849 -4.5187 -4.5187 -3.8376 -3.8376 -2.2757 -2.2757 -2.0204 -2.0204 -1.8438 -1.8438 -1.5507 -1.5507 -1.4726 -1.4726 -1.3264 -1.3264 -1.1190 -1.1190 -0.4358 -0.4358 5.4530 5.4530 5.9604 5.9604 6.3932 6.3932 6.5851 6.5851 k = 0.5093 0.2891-0.1573 ( 18392 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3992 -19.3992 -19.3732 -19.3732 -17.9814 -17.9814 -17.8578 -17.8578 -8.8533 -8.8533 -8.6449 -8.6449 -5.2762 -5.2762 -5.0111 -5.0111 -4.7762 -4.7762 -4.5871 -4.5871 -4.5159 -4.5159 -3.8379 -3.8379 -2.2743 -2.2743 -2.0206 -2.0206 -1.8431 -1.8431 -1.5508 -1.5508 -1.4729 -1.4729 -1.3271 -1.3271 -1.1166 -1.1166 -0.4372 -0.4372 5.4563 5.4563 5.9509 5.9509 6.4055 6.4055 6.5786 6.5786 k = 0.5140 0.2917-0.1411 ( 18390 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3993 -19.3993 -19.3732 -19.3732 -17.9813 -17.9813 -17.8579 -17.8579 -8.8556 -8.8556 -8.6421 -8.6421 -5.2736 -5.2736 -5.0133 -5.0133 -4.7791 -4.7791 -4.5907 -4.5907 -4.5116 -4.5116 -3.8385 -3.8385 -2.2720 -2.2720 -2.0210 -2.0210 -1.8420 -1.8420 -1.5509 -1.5509 -1.4734 -1.4734 -1.3281 -1.3281 -1.1126 -1.1126 -0.4394 -0.4394 5.4618 5.4618 5.9363 5.9363 6.4247 6.4247 6.5681 6.5681 k = 0.5186 0.2944-0.1248 ( 18395 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3993 -19.3993 -19.3731 -19.3731 -17.9811 -17.9811 -17.8580 -17.8580 -8.8588 -8.8588 -8.6385 -8.6385 -5.2701 -5.2701 -5.0162 -5.0162 -4.7828 -4.7828 -4.5957 -4.5957 -4.5059 -4.5059 -3.8393 -3.8393 -2.2688 -2.2688 -2.0216 -2.0216 -1.8405 -1.8405 -1.5512 -1.5512 -1.4742 -1.4742 -1.3295 -1.3295 -1.1070 -1.1070 -0.4426 -0.4426 5.4694 5.4694 5.9180 5.9180 6.4491 6.4491 6.5543 6.5543 k = 0.5233 0.2970-0.1086 ( 18400 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3994 -19.3994 -19.3730 -19.3730 -17.9809 -17.9809 -17.8582 -17.8582 -8.8626 -8.8626 -8.6342 -8.6342 -5.2656 -5.2656 -5.0198 -5.0198 -4.7872 -4.7872 -4.6020 -4.6020 -4.4990 -4.4990 -3.8404 -3.8404 -2.2648 -2.2648 -2.0224 -2.0224 -1.8386 -1.8386 -1.5515 -1.5515 -1.4751 -1.4751 -1.3313 -1.3313 -1.0999 -1.0999 -0.4467 -0.4467 5.4789 5.4789 5.8973 5.8973 6.4760 6.4760 6.5390 6.5390 k = 0.5279 0.2997-0.0924 ( 18401 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3996 -19.3996 -19.3729 -19.3729 -17.9807 -17.9807 -17.8584 -17.8584 -8.8668 -8.8668 -8.6294 -8.6294 -5.2601 -5.2601 -5.0239 -5.0239 -4.7920 -4.7920 -4.6096 -4.6096 -4.4913 -4.4913 -3.8418 -3.8418 -2.2602 -2.2602 -2.0233 -2.0233 -1.8363 -1.8363 -1.5518 -1.5518 -1.4762 -1.4762 -1.3333 -1.3333 -1.0914 -1.0914 -0.4517 -0.4517 5.4901 5.4901 5.8754 5.8754 6.4940 6.4940 6.5331 6.5331 k = 0.5326 0.3023-0.0762 ( 18401 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3998 -19.3998 -19.3728 -19.3728 -17.9804 -17.9804 -17.8586 -17.8586 -8.8713 -8.8713 -8.6242 -8.6242 -5.2536 -5.2536 -5.0285 -5.0285 -4.7969 -4.7969 -4.6184 -4.6184 -4.4831 -4.4831 -3.8434 -3.8434 -2.2549 -2.2549 -2.0244 -2.0244 -1.8336 -1.8336 -1.5523 -1.5523 -1.4774 -1.4774 -1.3355 -1.3355 -1.0814 -1.0814 -0.4576 -0.4576 5.5029 5.5029 5.8533 5.8533 6.4825 6.4825 6.5568 6.5568 k = 0.5372 0.3049-0.0600 ( 18399 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4000 -19.4000 -19.3726 -19.3726 -17.9801 -17.9801 -17.8589 -17.8589 -8.8759 -8.8759 -8.6188 -8.6188 -5.2462 -5.2462 -5.0335 -5.0335 -4.8019 -4.8019 -4.6285 -4.6285 -4.4746 -4.4746 -3.8454 -3.8454 -2.2491 -2.2491 -2.0256 -2.0256 -1.8307 -1.8307 -1.5528 -1.5528 -1.4788 -1.4788 -1.3379 -1.3379 -1.0700 -1.0700 -0.4644 -0.4644 5.5167 5.5167 5.8317 5.8317 6.4601 6.4601 6.5914 6.5914 k = 0.5419 0.3076-0.0438 ( 18400 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4002 -19.4002 -19.3725 -19.3725 -17.9797 -17.9797 -17.8591 -17.8591 -8.8805 -8.8805 -8.6135 -8.6135 -5.2378 -5.2378 -5.0385 -5.0385 -4.8068 -4.8068 -4.6397 -4.6397 -4.4660 -4.4660 -3.8477 -3.8477 -2.2430 -2.2430 -2.0270 -2.0270 -1.8275 -1.8275 -1.5534 -1.5534 -1.4803 -1.4803 -1.3402 -1.3402 -1.0573 -1.0573 -0.4722 -0.4722 5.5311 5.5311 5.8118 5.8118 6.4351 6.4351 6.6286 6.6286 k = 0.5465 0.3102-0.0276 ( 18394 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4005 -19.4005 -19.3723 -19.3723 -17.9793 -17.9793 -17.8595 -17.8595 -8.8849 -8.8849 -8.6083 -8.6083 -5.2286 -5.2286 -5.0435 -5.0435 -4.8115 -4.8115 -4.6518 -4.6518 -4.4574 -4.4574 -3.8504 -3.8504 -2.2367 -2.2367 -2.0285 -2.0285 -1.8242 -1.8242 -1.5541 -1.5541 -1.4820 -1.4820 -1.3425 -1.3425 -1.0434 -1.0434 -0.4808 -0.4808 5.5454 5.5454 5.7944 5.7944 6.4092 6.4092 6.6667 6.6667 k = 0.5512 0.3129-0.0114 ( 18385 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4008 -19.4008 -19.3720 -19.3720 -17.9788 -17.9788 -17.8598 -17.8598 -8.8891 -8.8891 -8.6035 -8.6035 -5.2185 -5.2185 -5.0483 -5.0483 -4.8160 -4.8160 -4.6650 -4.6650 -4.4491 -4.4491 -3.8534 -3.8534 -2.2303 -2.2303 -2.0301 -2.0301 -1.8207 -1.8207 -1.5549 -1.5549 -1.4836 -1.4836 -1.3446 -1.3446 -1.0283 -1.0283 -0.4902 -0.4902 5.5583 5.5583 5.7808 5.7808 6.3831 6.3831 6.7049 6.7049 k = 0.5558 0.3155 0.0048 ( 18386 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4011 -19.4011 -19.3717 -19.3717 -17.9783 -17.9783 -17.8602 -17.8602 -8.8929 -8.8929 -8.5990 -8.5990 -5.2076 -5.2076 -5.0526 -5.0526 -4.8203 -4.8203 -4.6789 -4.6789 -4.4411 -4.4411 -3.8569 -3.8569 -2.2239 -2.2239 -2.0319 -2.0319 -1.8173 -1.8173 -1.5558 -1.5558 -1.4853 -1.4853 -1.3463 -1.3463 -1.0122 -1.0122 -0.5006 -0.5006 5.5686 5.5686 5.7724 5.7724 6.3575 6.3575 6.7426 6.7426 k = 0.5605 0.3181 0.0210 ( 18383 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4015 -19.4015 -19.3714 -19.3714 -17.9778 -17.9778 -17.8606 -17.8606 -8.8963 -8.8963 -8.5950 -8.5950 -5.1959 -5.1959 -5.0564 -5.0564 -4.8243 -4.8243 -4.6937 -4.6937 -4.4335 -4.4335 -3.8608 -3.8608 -2.2177 -2.2177 -2.0338 -2.0338 -1.8141 -1.8141 -1.5567 -1.5567 -1.4869 -1.4869 -1.3476 -1.3476 -0.9951 -0.9951 -0.5118 -0.5118 5.5750 5.5750 5.7706 5.7706 6.3328 6.3328 6.7794 6.7794 k = 0.5651 0.3208 0.0372 ( 18368 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4020 -19.4020 -19.3711 -19.3711 -17.9772 -17.9772 -17.8610 -17.8610 -8.8993 -8.8993 -8.5917 -8.5917 -5.1834 -5.1834 -5.0594 -5.0594 -4.8282 -4.8282 -4.7091 -4.7091 -4.4265 -4.4265 -3.8651 -3.8651 -2.2118 -2.2118 -2.0358 -2.0358 -1.8112 -1.8112 -1.5577 -1.5577 -1.4884 -1.4884 -1.3483 -1.3483 -0.9772 -0.9772 -0.5238 -0.5238 5.5766 5.5766 5.7761 5.7761 6.3094 6.3094 6.8146 6.8146 k = 0.5698 0.3234 0.0535 ( 18367 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4025 -19.4025 -19.3707 -19.3707 -17.9765 -17.9765 -17.8615 -17.8615 -8.9016 -8.9016 -8.5890 -8.5890 -5.1703 -5.1703 -5.0615 -5.0615 -4.8318 -4.8318 -4.7250 -4.7250 -4.4200 -4.4200 -3.8699 -3.8699 -2.2063 -2.2063 -2.0379 -2.0379 -1.8089 -1.8089 -1.5588 -1.5588 -1.4895 -1.4895 -1.3484 -1.3484 -0.9585 -0.9585 -0.5367 -0.5367 5.5739 5.5739 5.7885 5.7885 6.2876 6.2876 6.8479 6.8479 k = 0.5698 0.3234 0.0535 ( 18367 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4025 -19.4025 -19.3707 -19.3707 -17.9765 -17.9765 -17.8615 -17.8615 -8.9016 -8.9016 -8.5890 -8.5890 -5.1703 -5.1703 -5.0615 -5.0615 -4.8318 -4.8318 -4.7250 -4.7250 -4.4200 -4.4200 -3.8699 -3.8699 -2.2063 -2.2063 -2.0379 -2.0379 -1.8089 -1.8089 -1.5588 -1.5588 -1.4895 -1.4895 -1.3484 -1.3484 -0.9585 -0.9585 -0.5367 -0.5367 5.5739 5.5739 5.7885 5.7885 6.2876 6.2876 6.8479 6.8479 k = 0.5644 0.3204 0.0680 ( 18373 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4026 -19.4026 -19.3704 -19.3704 -17.9770 -17.9770 -17.8612 -17.8612 -8.9009 -8.9009 -8.5912 -8.5912 -5.1605 -5.1605 -5.0533 -5.0533 -4.8273 -4.8273 -4.7393 -4.7393 -4.4326 -4.4326 -3.8657 -3.8657 -2.2020 -2.2020 -2.0375 -2.0375 -1.8172 -1.8172 -1.5551 -1.5551 -1.4951 -1.4951 -1.3451 -1.3451 -0.9438 -0.9438 -0.5489 -0.5489 5.5803 5.5803 5.8158 5.8158 6.2682 6.2682 6.8788 6.8788 k = 0.5590 0.3173 0.0826 ( 18366 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4027 -19.4027 -19.3702 -19.3702 -17.9774 -17.9774 -17.8610 -17.8610 -8.8999 -8.8999 -8.5937 -8.5937 -5.1502 -5.1502 -5.0446 -5.0446 -4.8220 -4.8220 -4.7539 -4.7539 -4.4459 -4.4459 -3.8620 -3.8620 -2.1980 -2.1980 -2.0371 -2.0371 -1.8256 -1.8256 -1.5516 -1.5516 -1.5001 -1.5001 -1.3416 -1.3416 -0.9286 -0.9286 -0.5616 -0.5616 5.5873 5.5873 5.8440 5.8440 6.2487 6.2487 6.9096 6.9096 k = 0.5537 0.3143 0.0972 ( 18359 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4028 -19.4028 -19.3699 -19.3699 -17.9778 -17.9778 -17.8608 -17.8608 -8.8986 -8.8986 -8.5964 -8.5964 -5.1396 -5.1396 -5.0358 -5.0358 -4.8160 -4.8160 -4.7684 -4.7684 -4.4598 -4.4598 -3.8588 -3.8588 -2.1943 -2.1943 -2.0367 -2.0367 -1.8339 -1.8339 -1.5485 -1.5485 -1.5046 -1.5046 -1.3380 -1.3380 -0.9132 -0.9132 -0.5747 -0.5747 5.5948 5.5948 5.8723 5.8723 6.2295 6.2295 6.9396 6.9396 k = 0.5483 0.3112 0.1118 ( 18359 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4030 -19.4030 -19.3696 -19.3696 -17.9781 -17.9781 -17.8607 -17.8607 -8.8972 -8.8972 -8.5993 -8.5993 -5.1288 -5.1288 -5.0272 -5.0272 -4.8095 -4.8095 -4.7828 -4.7828 -4.4742 -4.4742 -3.8560 -3.8560 -2.1909 -2.1909 -2.0364 -2.0364 -1.8420 -1.8420 -1.5457 -1.5457 -1.5085 -1.5085 -1.3346 -1.3346 -0.8975 -0.8975 -0.5881 -0.5881 5.6028 5.6028 5.9002 5.9002 6.2109 6.2109 6.9683 6.9683 k = 0.5429 0.3082 0.1264 ( 18359 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4031 -19.4031 -19.3694 -19.3694 -17.9784 -17.9784 -17.8605 -17.8605 -8.8957 -8.8957 -8.6023 -8.6023 -5.1178 -5.1178 -5.0188 -5.0188 -4.8043 -4.8043 -4.7948 -4.7948 -4.4890 -4.4890 -3.8537 -3.8537 -2.1879 -2.1879 -2.0362 -2.0362 -1.8498 -1.8498 -1.5433 -1.5433 -1.5119 -1.5119 -1.3312 -1.3312 -0.8817 -0.8817 -0.6017 -0.6017 5.6110 5.6110 5.9269 5.9269 6.1936 6.1936 6.9953 6.9953 k = 0.5376 0.3051 0.1410 ( 18375 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4033 -19.4033 -19.3691 -19.3691 -17.9786 -17.9786 -17.8604 -17.8604 -8.8941 -8.8941 -8.6053 -8.6053 -5.1069 -5.1069 -5.0109 -5.0109 -4.8131 -4.8131 -4.7916 -4.7916 -4.5039 -4.5039 -3.8517 -3.8517 -2.1852 -2.1852 -2.0360 -2.0360 -1.8569 -1.8569 -1.5412 -1.5412 -1.5146 -1.5146 -1.3281 -1.3281 -0.8659 -0.8659 -0.6155 -0.6155 5.6194 5.6194 5.9517 5.9517 6.1779 6.1779 7.0200 7.0200 k = 0.5322 0.3021 0.1556 ( 18377 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4034 -19.4034 -19.3689 -19.3689 -17.9788 -17.9788 -17.8603 -17.8603 -8.8925 -8.8925 -8.6081 -8.6081 -5.0962 -5.0962 -5.0038 -5.0038 -4.8262 -4.8262 -4.7830 -4.7830 -4.5187 -4.5187 -3.8501 -3.8501 -2.1829 -2.1829 -2.0358 -2.0358 -1.8634 -1.8634 -1.5395 -1.5395 -1.5168 -1.5168 -1.3253 -1.3253 -0.8502 -0.8502 -0.6293 -0.6293 5.6275 5.6275 5.9737 5.9737 6.1646 6.1646 7.0421 7.0421 k = 0.5268 0.2991 0.1702 ( 18368 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4035 -19.4035 -19.3687 -19.3687 -17.9790 -17.9790 -17.8602 -17.8602 -8.8910 -8.8910 -8.6107 -8.6107 -5.0860 -5.0860 -4.9976 -4.9976 -4.8387 -4.8387 -4.7737 -4.7737 -4.5331 -4.5331 -3.8487 -3.8487 -2.1809 -2.1809 -2.0357 -2.0357 -1.8691 -1.8691 -1.5382 -1.5382 -1.5185 -1.5185 -1.3229 -1.3229 -0.8349 -0.8349 -0.6431 -0.6431 5.6352 5.6352 5.9919 5.9919 6.1541 6.1541 7.0611 7.0611 k = 0.5215 0.2960 0.1848 ( 18354 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4036 -19.4036 -19.3686 -19.3686 -17.9791 -17.9791 -17.8601 -17.8601 -8.8897 -8.8897 -8.6130 -8.6130 -5.0766 -5.0766 -4.9923 -4.9923 -4.8501 -4.8501 -4.7644 -4.7644 -4.5465 -4.5465 -3.8477 -3.8477 -2.1793 -2.1793 -2.0356 -2.0356 -1.8739 -1.8739 -1.5373 -1.5373 -1.5196 -1.5196 -1.3208 -1.3208 -0.8202 -0.8202 -0.6564 -0.6564 5.6422 5.6422 6.0056 6.0056 6.1471 6.1471 7.0768 7.0768 k = 0.5161 0.2930 0.1994 ( 18342 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4037 -19.4037 -19.3685 -19.3685 -17.9792 -17.9792 -17.8601 -17.8601 -8.8886 -8.8886 -8.6148 -8.6148 -5.0685 -5.0685 -4.9881 -4.9881 -4.8599 -4.8599 -4.7556 -4.7556 -4.5585 -4.5585 -3.8469 -3.8469 -2.1780 -2.1780 -2.0355 -2.0355 -1.8778 -1.8778 -1.5367 -1.5367 -1.5204 -1.5204 -1.3192 -1.3192 -0.8066 -0.8066 -0.6689 -0.6689 5.6480 5.6480 6.0148 6.0148 6.1434 6.1434 7.0891 7.0891 k = 0.5107 0.2899 0.2140 ( 18344 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4038 -19.4038 -19.3684 -19.3684 -17.9793 -17.9793 -17.8601 -17.8601 -8.8877 -8.8877 -8.6162 -8.6162 -5.0622 -5.0622 -4.9851 -4.9851 -4.8674 -4.8674 -4.7483 -4.7483 -4.5681 -4.5681 -3.8464 -3.8464 -2.1771 -2.1771 -2.0354 -2.0354 -1.8806 -1.8806 -1.5363 -1.5363 -1.5208 -1.5208 -1.3180 -1.3180 -0.7950 -0.7950 -0.6797 -0.6797 5.6525 5.6525 6.0200 6.0200 6.1421 6.1421 7.0979 7.0979 k = 0.5054 0.2869 0.2285 ( 18347 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4038 -19.4038 -19.3683 -19.3683 -17.9793 -17.9793 -17.8600 -17.8600 -8.8872 -8.8872 -8.6171 -8.6171 -5.0581 -5.0581 -4.9832 -4.9832 -4.8723 -4.8723 -4.7433 -4.7433 -4.5744 -4.5744 -3.8460 -3.8460 -2.1766 -2.1766 -2.0354 -2.0354 -1.8823 -1.8823 -1.5362 -1.5362 -1.5211 -1.5211 -1.3173 -1.3173 -0.7868 -0.7868 -0.6874 -0.6874 5.6553 5.6553 6.0225 6.0225 6.1421 6.1421 7.1032 7.1032 k = 0.5000 0.2838 0.2431 ( 18354 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4038 -19.4038 -19.3683 -19.3683 -17.9794 -17.9794 -17.8600 -17.8600 -8.8870 -8.8870 -8.6174 -8.6174 -5.0567 -5.0567 -4.9826 -4.9826 -4.8739 -4.8739 -4.7416 -4.7416 -4.5766 -4.5766 -3.8459 -3.8459 -2.1764 -2.1764 -2.0354 -2.0354 -1.8828 -1.8828 -1.5361 -1.5361 -1.5211 -1.5211 -1.3170 -1.3170 -0.7838 -0.7838 -0.6903 -0.6903 5.6562 5.6562 6.0232 6.0232 6.1423 6.1423 7.1049 7.1049 k = 0.5000 0.2838 0.2431 ( 18354 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4038 -19.4038 -19.3683 -19.3683 -17.9794 -17.9794 -17.8600 -17.8600 -8.8870 -8.8870 -8.6174 -8.6174 -5.0567 -5.0567 -4.9826 -4.9826 -4.8739 -4.8739 -4.7416 -4.7416 -4.5766 -4.5766 -3.8459 -3.8459 -2.1764 -2.1764 -2.0354 -2.0354 -1.8828 -1.8828 -1.5361 -1.5361 -1.5211 -1.5211 -1.3170 -1.3170 -0.7838 -0.7838 -0.6903 -0.6903 5.6562 5.6562 6.0232 6.0232 6.1423 6.1423 7.1049 7.1049 k = 0.5084 0.2691 0.2431 ( 18346 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4038 -19.4038 -19.3683 -19.3683 -17.9793 -17.9793 -17.8601 -17.8601 -8.8868 -8.8868 -8.6175 -8.6175 -5.0573 -5.0573 -4.9828 -4.9828 -4.8737 -4.8737 -4.7417 -4.7417 -4.5764 -4.5764 -3.8460 -3.8460 -2.1762 -2.1762 -2.0357 -2.0357 -1.8832 -1.8832 -1.5362 -1.5362 -1.5208 -1.5208 -1.3169 -1.3169 -0.7839 -0.7839 -0.6905 -0.6905 5.6588 5.6588 6.0249 6.0249 6.1431 6.1431 7.1072 7.1072 k = 0.5167 0.2544 0.2431 ( 18336 PWs) bands (ev): -42.3329 -42.3329 -42.2973 -42.2973 -19.4036 -19.4036 -19.3685 -19.3685 -17.9792 -17.9792 -17.8601 -17.8601 -8.8862 -8.8862 -8.6177 -8.6177 -5.0594 -5.0594 -4.9832 -4.9832 -4.8731 -4.8731 -4.7419 -4.7419 -4.5757 -4.5757 -3.8461 -3.8461 -2.1756 -2.1756 -2.0367 -2.0367 -1.8841 -1.8841 -1.5368 -1.5368 -1.5196 -1.5196 -1.3164 -1.3164 -0.7841 -0.7841 -0.6911 -0.6911 5.6665 5.6665 6.0300 6.0300 6.1453 6.1453 7.1140 7.1140 k = 0.5251 0.2396 0.2431 ( 18344 PWs) bands (ev): -42.3328 -42.3328 -42.2974 -42.2974 -19.4034 -19.4034 -19.3687 -19.3687 -17.9790 -17.9790 -17.8602 -17.8602 -8.8852 -8.8852 -8.6182 -8.6182 -5.0627 -5.0627 -4.9839 -4.9839 -4.8721 -4.8721 -4.7423 -4.7423 -4.5746 -4.5746 -3.8463 -3.8463 -2.1746 -2.1746 -2.0382 -2.0382 -1.8858 -1.8858 -1.5384 -1.5384 -1.5171 -1.5171 -1.3155 -1.3155 -0.7845 -0.7845 -0.6919 -0.6919 5.6793 5.6793 6.0384 6.0384 6.1491 6.1491 7.1254 7.1254 k = 0.5334 0.2249 0.2431 ( 18352 PWs) bands (ev): -42.3326 -42.3326 -42.2976 -42.2976 -19.4031 -19.4031 -19.3691 -19.3691 -17.9787 -17.9787 -17.8604 -17.8604 -8.8838 -8.8838 -8.6189 -8.6189 -5.0673 -5.0673 -4.9849 -4.9849 -4.8707 -4.8707 -4.7429 -4.7429 -4.5731 -4.5731 -3.8466 -3.8466 -2.1734 -2.1734 -2.0401 -2.0401 -1.8881 -1.8881 -1.5411 -1.5411 -1.5130 -1.5130 -1.3143 -1.3143 -0.7850 -0.7850 -0.6932 -0.6932 5.6972 5.6972 6.0501 6.0501 6.1545 6.1545 7.1413 7.1413 k = 0.5418 0.2102 0.2431 ( 18360 PWs) bands (ev): -42.3324 -42.3324 -42.2978 -42.2978 -19.4028 -19.4028 -19.3696 -19.3696 -17.9783 -17.9783 -17.8606 -17.8606 -8.8819 -8.8819 -8.6197 -8.6197 -5.0731 -5.0731 -4.9860 -4.9860 -4.8689 -4.8689 -4.7436 -4.7436 -4.5714 -4.5714 -3.8470 -3.8470 -2.1721 -2.1721 -2.0422 -2.0422 -1.8910 -1.8910 -1.5451 -1.5451 -1.5074 -1.5074 -1.3128 -1.3128 -0.7856 -0.7856 -0.6947 -0.6947 5.7200 5.7200 6.0649 6.0649 6.1613 6.1613 7.1618 7.1618 k = 0.5502 0.1954 0.2431 ( 18354 PWs) bands (ev): -42.3321 -42.3321 -42.2981 -42.2981 -19.4023 -19.4023 -19.3701 -19.3701 -17.9778 -17.9778 -17.8608 -17.8608 -8.8797 -8.8797 -8.6208 -8.6208 -5.0799 -5.0799 -4.9874 -4.9874 -4.8668 -4.8668 -4.7445 -4.7445 -4.5693 -4.5693 -3.8475 -3.8475 -2.1707 -2.1707 -2.0443 -2.0443 -1.8945 -1.8945 -1.5503 -1.5503 -1.5006 -1.5006 -1.3110 -1.3110 -0.7863 -0.7863 -0.6965 -0.6965 5.7477 5.7477 6.0827 6.0827 6.1696 6.1696 7.1869 7.1869 k = 0.5585 0.1807 0.2431 ( 18366 PWs) bands (ev): -42.3318 -42.3318 -42.2984 -42.2984 -19.4018 -19.4018 -19.3708 -19.3708 -17.9772 -17.9772 -17.8611 -17.8611 -8.8770 -8.8770 -8.6221 -8.6221 -5.0877 -5.0877 -4.9889 -4.9889 -4.8644 -4.8644 -4.7455 -4.7455 -4.5671 -4.5671 -3.8481 -3.8481 -2.1696 -2.1696 -2.0461 -2.0461 -1.8987 -1.8987 -1.5566 -1.5566 -1.4927 -1.4927 -1.3088 -1.3088 -0.7870 -0.7870 -0.6984 -0.6984 5.7802 5.7802 6.1032 6.1032 6.1795 6.1795 7.2166 7.2166 k = 0.5669 0.1660 0.2431 ( 18356 PWs) bands (ev): -42.3314 -42.3314 -42.2988 -42.2988 -19.4012 -19.4012 -19.3715 -19.3715 -17.9765 -17.9765 -17.8614 -17.8614 -8.8740 -8.8740 -8.6235 -8.6235 -5.0964 -5.0964 -4.9904 -4.9904 -4.8618 -4.8618 -4.7467 -4.7467 -4.5647 -4.5647 -3.8487 -3.8487 -2.1689 -2.1689 -2.0473 -2.0473 -1.9035 -1.9035 -1.5638 -1.5638 -1.4839 -1.4839 -1.3063 -1.3063 -0.7878 -0.7878 -0.7006 -0.7006 5.8173 5.8173 6.1263 6.1263 6.1908 6.1908 7.2510 7.2510 k = 0.5753 0.1512 0.2431 ( 18362 PWs) bands (ev): -42.3310 -42.3310 -42.2992 -42.2992 -19.4005 -19.4005 -19.3724 -19.3724 -17.9758 -17.9758 -17.8618 -17.8618 -8.8706 -8.8706 -8.6252 -8.6252 -5.1057 -5.1057 -4.9921 -4.9921 -4.8589 -4.8589 -4.7480 -4.7480 -4.5623 -4.5623 -3.8495 -3.8495 -2.1687 -2.1687 -2.0477 -2.0477 -1.9088 -1.9088 -1.5720 -1.5720 -1.4743 -1.4743 -1.3035 -1.3035 -0.7886 -0.7886 -0.7029 -0.7029 5.8588 5.8588 6.1516 6.1516 6.2037 6.2037 7.2899 7.2899 k = 0.5836 0.1365 0.2431 ( 18358 PWs) bands (ev): -42.3306 -42.3306 -42.2996 -42.2996 -19.3997 -19.3997 -19.3733 -19.3733 -17.9750 -17.9750 -17.8622 -17.8622 -8.8669 -8.8669 -8.6271 -8.6271 -5.1156 -5.1156 -4.9938 -4.9938 -4.8559 -4.8559 -4.7494 -4.7494 -4.5599 -4.5599 -3.8503 -3.8503 -2.1692 -2.1692 -2.0470 -2.0470 -1.9148 -1.9148 -1.5811 -1.5811 -1.4641 -1.4641 -1.3004 -1.3004 -0.7894 -0.7894 -0.7053 -0.7053 5.9045 5.9045 6.1790 6.1790 6.2181 6.2181 7.3334 7.3334 k = 0.5920 0.1218 0.2431 ( 18348 PWs) bands (ev): -42.3301 -42.3301 -42.3001 -42.3001 -19.3989 -19.3989 -19.3743 -19.3743 -17.9741 -17.9741 -17.8626 -17.8626 -8.8628 -8.8628 -8.6292 -8.6292 -5.1259 -5.1259 -4.9954 -4.9954 -4.8527 -4.8527 -4.7509 -4.7509 -4.5576 -4.5576 -3.8513 -3.8513 -2.1705 -2.1705 -2.0451 -2.0451 -1.9212 -1.9212 -1.5910 -1.5910 -1.4533 -1.4533 -1.2970 -1.2970 -0.7901 -0.7901 -0.7077 -0.7077 5.9541 5.9541 6.2080 6.2080 6.2342 6.2342 7.3814 7.3814 k = 0.6003 0.1070 0.2431 ( 18352 PWs) bands (ev): -42.3296 -42.3296 -42.3007 -42.3007 -19.3980 -19.3980 -19.3754 -19.3754 -17.9731 -17.9731 -17.8631 -17.8631 -8.8584 -8.8584 -8.6315 -8.6315 -5.1366 -5.1366 -4.9971 -4.9971 -4.8493 -4.8493 -4.7526 -4.7526 -4.5554 -4.5554 -3.8524 -3.8524 -2.1726 -2.1726 -2.0419 -2.0419 -1.9282 -1.9282 -1.6018 -1.6018 -1.4422 -1.4422 -1.2933 -1.2933 -0.7908 -0.7908 -0.7100 -0.7100 6.0070 6.0070 6.2385 6.2385 6.2522 6.2522 7.4336 7.4336 k = 0.6087 0.0923 0.2431 ( 18356 PWs) bands (ev): -42.3290 -42.3290 -42.3012 -42.3012 -19.3970 -19.3970 -19.3766 -19.3766 -17.9721 -17.9721 -17.8636 -17.8636 -8.8536 -8.8536 -8.6341 -8.6341 -5.1474 -5.1474 -4.9986 -4.9986 -4.8459 -4.8459 -4.7543 -4.7543 -4.5534 -4.5534 -3.8535 -3.8535 -2.1753 -2.1753 -2.0376 -2.0376 -1.9357 -1.9357 -1.6133 -1.6133 -1.4308 -1.4308 -1.2892 -1.2892 -0.7914 -0.7914 -0.7122 -0.7122 6.0625 6.0625 6.2699 6.2699 6.2726 6.2726 7.4899 7.4899 k = 0.6171 0.0776 0.2431 ( 18366 PWs) bands (ev): -42.3284 -42.3284 -42.3018 -42.3018 -19.3960 -19.3960 -19.3779 -19.3779 -17.9710 -17.9710 -17.8641 -17.8641 -8.8486 -8.8486 -8.6369 -8.6369 -5.1583 -5.1583 -5.0001 -5.0001 -4.8424 -4.8424 -4.7561 -4.7561 -4.5517 -4.5517 -3.8548 -3.8548 -2.1786 -2.1786 -2.0322 -2.0322 -1.9437 -1.9437 -1.6255 -1.6255 -1.4192 -1.4192 -1.2849 -1.2849 -0.7919 -0.7919 -0.7143 -0.7143 6.1195 6.1195 6.2958 6.2958 6.3024 6.3024 7.5497 7.5497 k = 0.6254 0.0629 0.2431 ( 18374 PWs) bands (ev): -42.3277 -42.3277 -42.3025 -42.3025 -19.3949 -19.3949 -19.3793 -19.3793 -17.9698 -17.9698 -17.8647 -17.8647 -8.8432 -8.8432 -8.6399 -8.6399 -5.1691 -5.1691 -5.0014 -5.0014 -4.8389 -4.8389 -4.7580 -4.7580 -4.5502 -4.5502 -3.8562 -3.8562 -2.1821 -2.1821 -2.0257 -2.0257 -1.9521 -1.9521 -1.6384 -1.6384 -1.4075 -1.4075 -1.2803 -1.2803 -0.7923 -0.7923 -0.7162 -0.7162 6.1758 6.1758 6.3242 6.3242 6.3349 6.3349 7.6122 7.6122 k = 0.6338 0.0481 0.2431 ( 18364 PWs) bands (ev): -42.3270 -42.3270 -42.3032 -42.3032 -19.3938 -19.3938 -19.3807 -19.3807 -17.9686 -17.9686 -17.8653 -17.8653 -8.8376 -8.8376 -8.6432 -8.6432 -5.1798 -5.1798 -5.0026 -5.0026 -4.8354 -4.8354 -4.7598 -4.7598 -4.5490 -4.5490 -3.8577 -3.8577 -2.1858 -2.1858 -2.0185 -2.0185 -1.9609 -1.9609 -1.6520 -1.6520 -1.3958 -1.3958 -1.2755 -1.2755 -0.7926 -0.7926 -0.7179 -0.7179 6.2280 6.2280 6.3604 6.3604 6.3675 6.3675 7.6758 7.6758 k = 0.6422 0.0334 0.2431 ( 18370 PWs) bands (ev): -42.3263 -42.3263 -42.3039 -42.3039 -19.3926 -19.3926 -19.3822 -19.3822 -17.9673 -17.9673 -17.8660 -17.8660 -8.8318 -8.8318 -8.6467 -8.6467 -5.1901 -5.1901 -5.0036 -5.0036 -4.8320 -4.8320 -4.7617 -4.7617 -4.5482 -4.5482 -3.8593 -3.8593 -2.1895 -2.1895 -2.0106 -2.0106 -1.9701 -1.9701 -1.6661 -1.6661 -1.3841 -1.3841 -1.2703 -1.2703 -0.7927 -0.7927 -0.7192 -0.7192 6.2721 6.2721 6.3991 6.3991 6.4083 6.4083 7.7371 7.7371 k = 0.6505 0.0187 0.2431 ( 18382 PWs) bands (ev): -42.3256 -42.3256 -42.3047 -42.3047 -19.3914 -19.3914 -19.3838 -19.3838 -17.9660 -17.9660 -17.8666 -17.8666 -8.8257 -8.8257 -8.6505 -8.6505 -5.2001 -5.2001 -5.0044 -5.0044 -4.8286 -4.8286 -4.7636 -4.7636 -4.5478 -4.5478 -3.8610 -3.8610 -2.1930 -2.1930 -2.0021 -2.0021 -1.9797 -1.9797 -1.6808 -1.6808 -1.3724 -1.3724 -1.2649 -1.2649 -0.7928 -0.7928 -0.7202 -0.7202 6.3076 6.3076 6.4301 6.4301 6.4672 6.4672 7.7876 7.7880 k = 0.6589 0.0039 0.2431 ( 18386 PWs) bands (ev): -42.3248 -42.3248 -42.3054 -42.3054 -19.3901 -19.3901 -19.3854 -19.3854 -17.9646 -17.9646 -17.8673 -17.8673 -8.8194 -8.8194 -8.6545 -8.6545 -5.2097 -5.2097 -5.0049 -5.0049 -4.8253 -4.8253 -4.7654 -4.7654 -4.5477 -4.5477 -3.8628 -3.8628 -2.1962 -2.1962 -1.9931 -1.9931 -1.9895 -1.9895 -1.6959 -1.6959 -1.3609 -1.3609 -1.2592 -1.2592 -0.7927 -0.7927 -0.7208 -0.7208 6.3370 6.3370 6.4593 6.4593 6.5345 6.5345 7.7852 7.7880 k = 0.6672-0.0108 0.2431 ( 18402 PWs) bands (ev): -42.3240 -42.3240 -42.3062 -42.3062 -19.3888 -19.3888 -19.3871 -19.3871 -17.9631 -17.9631 -17.8681 -17.8681 -8.8129 -8.8129 -8.6587 -8.6587 -5.2187 -5.2187 -5.0052 -5.0052 -4.8223 -4.8223 -4.7671 -4.7671 -4.5481 -4.5481 -3.8647 -3.8647 -2.1989 -2.1989 -1.9997 -1.9997 -1.9836 -1.9836 -1.7115 -1.7115 -1.3496 -1.3496 -1.2532 -1.2532 -0.7925 -0.7925 -0.7210 -0.7210 6.3627 6.3627 6.4860 6.4860 6.6066 6.6066 7.7504 7.7525 k = 0.6756-0.0255 0.2431 ( 18402 PWs) bands (ev): -42.3232 -42.3232 -42.3071 -42.3071 -19.3889 -19.3889 -19.3874 -19.3874 -17.9616 -17.9616 -17.8688 -17.8688 -8.8062 -8.8062 -8.6632 -8.6632 -5.2271 -5.2271 -5.0052 -5.0052 -4.8195 -4.8195 -4.7687 -4.7687 -4.5488 -4.5488 -3.8667 -3.8667 -2.2012 -2.2012 -2.0101 -2.0101 -1.9738 -1.9738 -1.7275 -1.7275 -1.3386 -1.3386 -1.2469 -1.2469 -0.7922 -0.7922 -0.7208 -0.7208 6.3862 6.3862 6.5095 6.5095 6.6815 6.6815 7.7190 7.7194 k = 0.6840-0.0403 0.2431 ( 18396 PWs) bands (ev): -42.3223 -42.3223 -42.3079 -42.3079 -19.3906 -19.3906 -19.3860 -19.3860 -17.9601 -17.9601 -17.8696 -17.8696 -8.7994 -8.7994 -8.6679 -8.6679 -5.2348 -5.2348 -5.0049 -5.0049 -4.8170 -4.8170 -4.7700 -4.7700 -4.5501 -4.5501 -3.8689 -3.8689 -2.2028 -2.2028 -2.0208 -2.0208 -1.9637 -1.9637 -1.7439 -1.7439 -1.3278 -1.3278 -1.2404 -1.2404 -0.7919 -0.7919 -0.7202 -0.7202 6.4081 6.4081 6.5286 6.5286 6.7575 6.7575 7.6875 7.6893 k = 0.6923-0.0550 0.2431 ( 18406 PWs) bands (ev): -42.3215 -42.3215 -42.3088 -42.3088 -19.3925 -19.3925 -19.3846 -19.3846 -17.9585 -17.9585 -17.8704 -17.8704 -8.7925 -8.7925 -8.6728 -8.6728 -5.2418 -5.2418 -5.0043 -5.0043 -4.8149 -4.8149 -4.7710 -4.7710 -4.5518 -4.5518 -3.8711 -3.8711 -2.2038 -2.2038 -2.0316 -2.0316 -1.9532 -1.9532 -1.7605 -1.7605 -1.3173 -1.3173 -1.2337 -1.2337 -0.7915 -0.7915 -0.7191 -0.7191 6.4285 6.4285 6.5423 6.5423 6.8332 6.8332 7.6544 7.6544 k = 0.7007-0.0697 0.2431 ( 18404 PWs) bands (ev): -42.3206 -42.3206 -42.3097 -42.3097 -19.3944 -19.3944 -19.3832 -19.3832 -17.9569 -17.9569 -17.8712 -17.8712 -8.7854 -8.7854 -8.6779 -8.6779 -5.2480 -5.2480 -5.0033 -5.0033 -4.8133 -4.8133 -4.7716 -4.7716 -4.5540 -4.5540 -3.8734 -3.8734 -2.2041 -2.2041 -2.0426 -2.0426 -1.9426 -1.9426 -1.7774 -1.7774 -1.3073 -1.3073 -1.2266 -1.2266 -0.7910 -0.7910 -0.7175 -0.7175 6.4473 6.4473 6.5491 6.5491 6.9074 6.9074 7.6223 7.6248 k = 0.2993-0.5273 0.4328 ( 18404 PWs) bands (ev): -42.3206 -42.3206 -42.3097 -42.3097 -19.3944 -19.3944 -19.3832 -19.3832 -17.9569 -17.9569 -17.8712 -17.8712 -8.7854 -8.7854 -8.6779 -8.6779 -5.2480 -5.2480 -5.0033 -5.0033 -4.8133 -4.8133 -4.7716 -4.7716 -4.5540 -4.5540 -3.8734 -3.8734 -2.2041 -2.2041 -2.0426 -2.0426 -1.9426 -1.9426 -1.7774 -1.7774 -1.3073 -1.3073 -1.2266 -1.2266 -0.7910 -0.7910 -0.7175 -0.7175 6.4473 6.4473 6.5491 6.5491 6.9074 6.9074 7.6245 7.6261 k = 0.2910-0.5126 0.4328 ( 18408 PWs) bands (ev): -42.3197 -42.3197 -42.3106 -42.3106 -19.3963 -19.3963 -19.3817 -19.3817 -17.9553 -17.9553 -17.8721 -17.8721 -8.7784 -8.7784 -8.6832 -8.6832 -5.2533 -5.2533 -5.0020 -5.0020 -4.8122 -4.8122 -4.7718 -4.7718 -4.5566 -4.5566 -3.8758 -3.8758 -2.2036 -2.2036 -2.0536 -2.0536 -1.9317 -1.9317 -1.7944 -1.7944 -1.2977 -1.2977 -1.2194 -1.2194 -0.7906 -0.7906 -0.7155 -0.7155 6.4642 6.4642 6.5479 6.5479 6.9784 6.9784 7.5880 7.5898 k = 0.2827-0.4980 0.4328 ( 18416 PWs) bands (ev): -42.3188 -42.3188 -42.3115 -42.3115 -19.3982 -19.3982 -19.3803 -19.3803 -17.9537 -17.9537 -17.8729 -17.8729 -8.7713 -8.7713 -8.6887 -8.6887 -5.2578 -5.2578 -5.0003 -5.0003 -4.8117 -4.8117 -4.7716 -4.7716 -4.5597 -4.5597 -3.8782 -3.8782 -2.2024 -2.2024 -2.0648 -2.0648 -1.9205 -1.9205 -1.8115 -1.8115 -1.2885 -1.2885 -1.2119 -1.2119 -0.7902 -0.7902 -0.7130 -0.7130 6.4791 6.4791 6.5374 6.5374 7.0454 7.0454 7.5513 7.5542 k = 0.2744-0.4833 0.4328 ( 18422 PWs) bands (ev): -42.3179 -42.3179 -42.3124 -42.3124 -19.4002 -19.4002 -19.3788 -19.3788 -17.9520 -17.9520 -17.8738 -17.8738 -8.7641 -8.7641 -8.6944 -8.6944 -5.2614 -5.2614 -4.9982 -4.9982 -4.8118 -4.8118 -4.7709 -4.7709 -4.5634 -4.5634 -3.8808 -3.8808 -2.2003 -2.2003 -2.0760 -2.0760 -1.9091 -1.9091 -1.8288 -1.8288 -1.2799 -1.2799 -1.2041 -1.2041 -0.7897 -0.7897 -0.7101 -0.7101 6.4914 6.4914 6.5171 6.5171 7.1069 7.1069 7.5145 7.5145 k = 0.2661-0.4687 0.4328 ( 18426 PWs) bands (ev): -42.3169 -42.3169 -42.3133 -42.3133 -19.4022 -19.4022 -19.3773 -19.3773 -17.9504 -17.9504 -17.8746 -17.8746 -8.7570 -8.7570 -8.7002 -8.7002 -5.2641 -5.2641 -4.9957 -4.9957 -4.8123 -4.8123 -4.7698 -4.7698 -4.5675 -4.5675 -3.8834 -3.8834 -2.1974 -2.1974 -2.0872 -2.0872 -1.8975 -1.8975 -1.8461 -1.8461 -1.2718 -1.2718 -1.1961 -1.1961 -0.7893 -0.7893 -0.7067 -0.7067 6.4863 6.4863 6.5013 6.5013 7.1618 7.1618 7.4760 7.4760 k = 0.2577-0.4540 0.4328 ( 18436 PWs) bands (ev): -42.3160 -42.3160 -42.3143 -42.3143 -19.4042 -19.4042 -19.3759 -19.3759 -17.9487 -17.9487 -17.8755 -17.8755 -8.7498 -8.7498 -8.7062 -8.7062 -5.2659 -5.2659 -4.9928 -4.9928 -4.8132 -4.8132 -4.7684 -4.7684 -4.5721 -4.5721 -3.8860 -3.8860 -2.1937 -2.1937 -2.0984 -2.0984 -1.8856 -1.8856 -1.8634 -1.8634 -1.2644 -1.2644 -1.1879 -1.1879 -0.7890 -0.7890 -0.7029 -0.7029 6.4466 6.4466 6.5072 6.5072 7.2092 7.2092 7.4354 7.4354 k = 0.2494-0.4394 0.4328 ( 18442 PWs) bands (ev): -42.3153 -42.3153 -42.3150 -42.3150 -19.4062 -19.4062 -19.3744 -19.3744 -17.9470 -17.9470 -17.8764 -17.8764 -8.7427 -8.7427 -8.7123 -8.7123 -5.2667 -5.2667 -4.9895 -4.9895 -4.8145 -4.8145 -4.7669 -4.7669 -4.5773 -4.5773 -3.8887 -3.8887 -2.1891 -2.1891 -2.1096 -2.1096 -1.8809 -1.8809 -1.8732 -1.8732 -1.2575 -1.2575 -1.1794 -1.1794 -0.7887 -0.7887 -0.6987 -0.6987 6.3982 6.3982 6.5095 6.5095 7.2483 7.2483 7.3928 7.3928 k = 0.2411-0.4248 0.4328 ( 18432 PWs) bands (ev): -42.3162 -42.3162 -42.3141 -42.3141 -19.4082 -19.4082 -19.3729 -19.3729 -17.9454 -17.9454 -17.8773 -17.8773 -8.7357 -8.7357 -8.7185 -8.7185 -5.2666 -5.2666 -4.9858 -4.9858 -4.8160 -4.8160 -4.7652 -4.7652 -4.5829 -4.5829 -3.8915 -3.8915 -2.1837 -2.1837 -2.1207 -2.1207 -1.8982 -1.8982 -1.8608 -1.8608 -1.2514 -1.2514 -1.1708 -1.1708 -0.7884 -0.7884 -0.6942 -0.6942 6.3427 6.3427 6.5074 6.5074 7.2786 7.2786 7.3485 7.3485 k = 0.2328-0.4101 0.4328 ( 18422 PWs) bands (ev): -42.3171 -42.3171 -42.3132 -42.3132 -19.4102 -19.4102 -19.3715 -19.3715 -17.9437 -17.9437 -17.8782 -17.8782 -8.7287 -8.7287 -8.7248 -8.7248 -5.2655 -5.2655 -4.9817 -4.9817 -4.8177 -4.8177 -4.7634 -4.7634 -4.5891 -4.5891 -3.8942 -3.8942 -2.1774 -2.1774 -2.1317 -2.1317 -1.9154 -1.9154 -1.8481 -1.8481 -1.2459 -1.2459 -1.1619 -1.1619 -0.7882 -0.7882 -0.6893 -0.6893 6.2814 6.2814 6.5006 6.5006 7.2908 7.2908 7.3121 7.3121 k = 0.2245-0.3955 0.4328 ( 18408 PWs) bands (ev): -42.3180 -42.3180 -42.3123 -42.3123 -19.4122 -19.4122 -19.3700 -19.3700 -17.9420 -17.9420 -17.8790 -17.8790 -8.7311 -8.7311 -8.7218 -8.7218 -5.2635 -5.2635 -4.9772 -4.9772 -4.8194 -4.8194 -4.7617 -4.7617 -4.5958 -4.5958 -3.8970 -3.8970 -2.1704 -2.1704 -2.1426 -2.1426 -1.9325 -1.9325 -1.8351 -1.8351 -1.2413 -1.2413 -1.1529 -1.1529 -0.7881 -0.7881 -0.6841 -0.6841 6.2158 6.2158 6.4885 6.4885 7.2485 7.2485 7.3209 7.3209 k = 0.2162-0.3808 0.4328 ( 18402 PWs) bands (ev): -42.3189 -42.3189 -42.3113 -42.3113 -19.4142 -19.4142 -19.3686 -19.3686 -17.9404 -17.9404 -17.8799 -17.8799 -8.7375 -8.7375 -8.7151 -8.7151 -5.2606 -5.2606 -4.9723 -4.9723 -4.8212 -4.8212 -4.7600 -4.7600 -4.6031 -4.6031 -3.8998 -3.8998 -2.1626 -2.1626 -2.1533 -2.1533 -1.9494 -1.9494 -1.8219 -1.8219 -1.2374 -1.2374 -1.1436 -1.1436 -0.7880 -0.7880 -0.6786 -0.6786 6.1470 6.1470 6.4711 6.4711 7.1980 7.1980 7.3296 7.3296 k = 0.2079-0.3662 0.4328 ( 18386 PWs) bands (ev): -42.3198 -42.3198 -42.3104 -42.3104 -19.4161 -19.4161 -19.3672 -19.3672 -17.9388 -17.9388 -17.8808 -17.8808 -8.7440 -8.7440 -8.7085 -8.7085 -5.2567 -5.2567 -4.9670 -4.9670 -4.8231 -4.8231 -4.7583 -4.7583 -4.6109 -4.6109 -3.9026 -3.9026 -2.1642 -2.1642 -2.1536 -2.1536 -1.9662 -1.9662 -1.8084 -1.8084 -1.2344 -1.2344 -1.1343 -1.1343 -0.7879 -0.7879 -0.6728 -0.6728 6.0761 6.0761 6.4479 6.4479 7.1459 7.1459 7.3333 7.3333 k = 0.1995-0.3515 0.4328 ( 18398 PWs) bands (ev): -42.3207 -42.3207 -42.3095 -42.3095 -19.4181 -19.4181 -19.3658 -19.3658 -17.9372 -17.9372 -17.8817 -17.8817 -8.7504 -8.7504 -8.7020 -8.7020 -5.2519 -5.2519 -4.9614 -4.9614 -4.8249 -4.8249 -4.7568 -4.7568 -4.6191 -4.6191 -3.9053 -3.9053 -2.1745 -2.1745 -2.1442 -2.1442 -1.9827 -1.9827 -1.7947 -1.7947 -1.2322 -1.2322 -1.1248 -1.1248 -0.7879 -0.7879 -0.6669 -0.6669 6.0040 6.0040 6.4192 6.4192 7.0929 7.0929 7.3324 7.3324 k = 0.1912-0.3369 0.4328 ( 18396 PWs) bands (ev): -42.3216 -42.3216 -42.3087 -42.3087 -19.4200 -19.4200 -19.3645 -19.3645 -17.9356 -17.9356 -17.8825 -17.8825 -8.7568 -8.7568 -8.6957 -8.6957 -5.2462 -5.2462 -4.9555 -4.9555 -4.8267 -4.8267 -4.7554 -4.7554 -4.6279 -4.6279 -3.9081 -3.9081 -2.1847 -2.1847 -2.1341 -2.1341 -1.9990 -1.9990 -1.7808 -1.7808 -1.2309 -1.2309 -1.1152 -1.1152 -0.7879 -0.7879 -0.6607 -0.6607 5.9315 5.9315 6.3849 6.3849 7.0399 7.0399 7.3278 7.3278 k = 0.1829-0.3222 0.4328 ( 18404 PWs) bands (ev): -42.3225 -42.3225 -42.3078 -42.3078 -19.4219 -19.4219 -19.3632 -19.3632 -17.9340 -17.9340 -17.8834 -17.8834 -8.7632 -8.7632 -8.6897 -8.6897 -5.2397 -5.2397 -4.9494 -4.9494 -4.8284 -4.8284 -4.7541 -4.7541 -4.6373 -4.6373 -3.9108 -3.9108 -2.1946 -2.1946 -2.1232 -2.1232 -2.0150 -2.0150 -1.7668 -1.7668 -1.2304 -1.2304 -1.1056 -1.1056 -0.7880 -0.7880 -0.6545 -0.6545 5.8590 5.8590 6.3454 6.3454 6.9876 6.9876 7.3200 7.3200 k = 0.1746-0.3076 0.4328 ( 18406 PWs) bands (ev): -42.3233 -42.3233 -42.3069 -42.3069 -19.4237 -19.4237 -19.3619 -19.3619 -17.9325 -17.9325 -17.8842 -17.8842 -8.7694 -8.7694 -8.6838 -8.6838 -5.2323 -5.2323 -4.9429 -4.9429 -4.8299 -4.8299 -4.7530 -4.7530 -4.6471 -4.6471 -3.9134 -3.9134 -2.2042 -2.2042 -2.1117 -2.1117 -2.0307 -2.0307 -1.7527 -1.7527 -1.2309 -1.2309 -1.0960 -1.0960 -0.7880 -0.7880 -0.6481 -0.6481 5.7872 5.7872 6.3012 6.3012 6.9364 6.9364 7.3098 7.3098 k = 0.1663-0.2929 0.4328 ( 18398 PWs) bands (ev): -42.3241 -42.3241 -42.3061 -42.3061 -19.4255 -19.4255 -19.3607 -19.3607 -17.9311 -17.9311 -17.8850 -17.8850 -8.7756 -8.7756 -8.6781 -8.6781 -5.2241 -5.2241 -4.9363 -4.9363 -4.8314 -4.8314 -4.7520 -4.7520 -4.6574 -4.6574 -3.9160 -3.9160 -2.2135 -2.2135 -2.0996 -2.0996 -2.0460 -2.0460 -1.7385 -1.7385 -1.2323 -1.2323 -1.0863 -1.0863 -0.7880 -0.7880 -0.6416 -0.6416 5.7165 5.7165 6.2530 6.2530 6.8869 6.8869 7.2976 7.2976 k = 0.1580-0.2783 0.4328 ( 18404 PWs) bands (ev): -42.3249 -42.3249 -42.3053 -42.3053 -19.4273 -19.4273 -19.3595 -19.3595 -17.9297 -17.9297 -17.8858 -17.8858 -8.7817 -8.7817 -8.6726 -8.6726 -5.2151 -5.2151 -4.9296 -4.9296 -4.8327 -4.8327 -4.7513 -4.7513 -4.6683 -4.6683 -3.9186 -3.9186 -2.2225 -2.2225 -2.0871 -2.0871 -2.0608 -2.0608 -1.7243 -1.7243 -1.2345 -1.2345 -1.0768 -1.0768 -0.7880 -0.7880 -0.6352 -0.6352 5.6474 5.6474 6.2015 6.2015 6.8394 6.8394 7.2841 7.2841 k = 0.1497-0.2636 0.4328 ( 18392 PWs) bands (ev): -42.3257 -42.3257 -42.3046 -42.3046 -19.4289 -19.4289 -19.3583 -19.3583 -17.9283 -17.9283 -17.8865 -17.8865 -8.7876 -8.7876 -8.6674 -8.6674 -5.2054 -5.2054 -4.9228 -4.9228 -4.8337 -4.8337 -4.7506 -4.7506 -4.6796 -4.6796 -3.9210 -3.9210 -2.2311 -2.2311 -2.0776 -2.0776 -2.0717 -2.0717 -1.7102 -1.7102 -1.2376 -1.2376 -1.0673 -1.0673 -0.7880 -0.7880 -0.6287 -0.6287 5.5801 5.5801 6.1475 6.1475 6.7942 6.7942 7.2695 7.2695 k = 0.1413-0.2490 0.4328 ( 18386 PWs) bands (ev): -42.3264 -42.3264 -42.3038 -42.3038 -19.4306 -19.4306 -19.3572 -19.3572 -17.9270 -17.9270 -17.8872 -17.8872 -8.7933 -8.7933 -8.6625 -8.6625 -5.1949 -5.1949 -4.9160 -4.9160 -4.8346 -4.8346 -4.7502 -4.7502 -4.6913 -4.6913 -3.9234 -3.9234 -2.2394 -2.2394 -2.0899 -2.0899 -2.0598 -2.0598 -1.6962 -1.6962 -1.2415 -1.2415 -1.0580 -1.0580 -0.7880 -0.7880 -0.6223 -0.6223 5.5150 5.5150 6.0919 6.0919 6.7512 6.7512 7.2543 7.2543 k = 0.1330-0.2343 0.4328 ( 18392 PWs) bands (ev): -42.3272 -42.3272 -42.3031 -42.3031 -19.4321 -19.4321 -19.3562 -19.3562 -17.9257 -17.9257 -17.8879 -17.8879 -8.7989 -8.7989 -8.6577 -8.6577 -5.1838 -5.1838 -4.9094 -4.9094 -4.8351 -4.8351 -4.7500 -4.7500 -4.7036 -4.7036 -3.9256 -3.9256 -2.2472 -2.2472 -2.1034 -2.1034 -2.0461 -2.0461 -1.6824 -1.6824 -1.2461 -1.2461 -1.0489 -1.0489 -0.7879 -0.7879 -0.6160 -0.6160 5.4523 5.4523 6.0355 6.0355 6.7105 6.7105 7.2387 7.2387 k = 0.1247-0.2197 0.4328 ( 18400 PWs) bands (ev): -42.3278 -42.3278 -42.3024 -42.3024 -19.4336 -19.4336 -19.3552 -19.3552 -17.9245 -17.9245 -17.8886 -17.8886 -8.8042 -8.8042 -8.6533 -8.6533 -5.1720 -5.1720 -4.9030 -4.9030 -4.8352 -4.8352 -4.7500 -4.7500 -4.7162 -4.7162 -3.9278 -3.9278 -2.2546 -2.2546 -2.1165 -2.1165 -2.0320 -2.0320 -1.6688 -1.6688 -1.2515 -1.2515 -1.0401 -1.0401 -0.7878 -0.7878 -0.6098 -0.6098 5.3923 5.3923 5.9791 5.9791 6.6723 6.6723 7.2230 7.2230 k = 0.1164-0.2051 0.4328 ( 18408 PWs) bands (ev): -42.3285 -42.3285 -42.3018 -42.3018 -19.4350 -19.4350 -19.3542 -19.3542 -17.9234 -17.9234 -17.8893 -17.8893 -8.8093 -8.8093 -8.6491 -8.6491 -5.1597 -5.1597 -4.8969 -4.8969 -4.8349 -4.8349 -4.7501 -4.7501 -4.7293 -4.7293 -3.9299 -3.9299 -2.2616 -2.2616 -2.1290 -2.1290 -2.0178 -2.0178 -1.6557 -1.6557 -1.2574 -1.2574 -1.0315 -1.0315 -0.7876 -0.7876 -0.6038 -0.6038 5.3352 5.3352 5.9235 5.9235 6.6364 6.6364 7.2076 7.2076 k = 0.1081-0.1904 0.4328 ( 18412 PWs) bands (ev): -42.3291 -42.3291 -42.3012 -42.3012 -19.4364 -19.4364 -19.3533 -19.3533 -17.9223 -17.9223 -17.8899 -17.8899 -8.8141 -8.8141 -8.6452 -8.6452 -5.1467 -5.1467 -4.8914 -4.8914 -4.8340 -4.8340 -4.7505 -4.7505 -4.7427 -4.7427 -3.9318 -3.9318 -2.2680 -2.2680 -2.1409 -2.1409 -2.0035 -2.0035 -1.6430 -1.6430 -1.2640 -1.2640 -1.0233 -1.0233 -0.7874 -0.7874 -0.5980 -0.5980 5.2813 5.2813 5.8692 5.8692 6.6028 6.6028 7.1924 7.1924 k = 0.0998-0.1758 0.4328 ( 18410 PWs) bands (ev): -42.3297 -42.3297 -42.3006 -42.3006 -19.4376 -19.4376 -19.3525 -19.3525 -17.9213 -17.9213 -17.8904 -17.8904 -8.8187 -8.8187 -8.6416 -8.6416 -5.1333 -5.1333 -4.8865 -4.8865 -4.8324 -4.8324 -4.7565 -4.7565 -4.7511 -4.7511 -3.9337 -3.9337 -2.2740 -2.2740 -2.1523 -2.1523 -1.9894 -1.9894 -1.6307 -1.6307 -1.2709 -1.2709 -1.0154 -1.0154 -0.7872 -0.7872 -0.5925 -0.5925 5.2306 5.2306 5.8170 5.8170 6.5716 6.5716 7.1778 7.1778 k = 0.0915-0.1611 0.4328 ( 18416 PWs) bands (ev): -42.3302 -42.3302 -42.3001 -42.3001 -19.4388 -19.4388 -19.3517 -19.3517 -17.9203 -17.9203 -17.8910 -17.8910 -8.8230 -8.8230 -8.6382 -8.6382 -5.1193 -5.1193 -4.8824 -4.8824 -4.8303 -4.8303 -4.7706 -4.7706 -4.7519 -4.7519 -3.9354 -3.9354 -2.2795 -2.2795 -2.1629 -2.1629 -1.9754 -1.9754 -1.6191 -1.6191 -1.2781 -1.2781 -1.0080 -1.0080 -0.7870 -0.7870 -0.5872 -0.5872 5.1834 5.1834 5.7673 5.7673 6.5428 6.5428 7.1638 7.1638 k = 0.0831-0.1465 0.4328 ( 18420 PWs) bands (ev): -42.3307 -42.3307 -42.2996 -42.2996 -19.4399 -19.4399 -19.3510 -19.3510 -17.9195 -17.9195 -17.8914 -17.8914 -8.8269 -8.8269 -8.6352 -8.6352 -5.1050 -5.1050 -4.8791 -4.8791 -4.8276 -4.8276 -4.7848 -4.7848 -4.7529 -4.7529 -3.9369 -3.9369 -2.2845 -2.2845 -2.1729 -2.1729 -1.9618 -1.9618 -1.6082 -1.6082 -1.2856 -1.2856 -1.0011 -1.0011 -0.7867 -0.7867 -0.5823 -0.5823 5.1398 5.1398 5.7205 5.7205 6.5163 6.5163 7.1506 7.1506 k = 0.0748-0.1318 0.4328 ( 18410 PWs) bands (ev): -42.3311 -42.3311 -42.2991 -42.2991 -19.4408 -19.4408 -19.3504 -19.3504 -17.9187 -17.9187 -17.8919 -17.8919 -8.8305 -8.8305 -8.6324 -8.6324 -5.0902 -5.0902 -4.8766 -4.8766 -4.8249 -4.8249 -4.7986 -4.7986 -4.7542 -4.7542 -3.9384 -3.9384 -2.2890 -2.2890 -2.1821 -2.1821 -1.9488 -1.9488 -1.5981 -1.5981 -1.2931 -1.2931 -0.9947 -0.9947 -0.7864 -0.7864 -0.5777 -0.5777 5.1000 5.1000 5.6771 5.6771 6.4923 6.4923 7.1384 7.1384 k = 0.0665-0.1172 0.4328 ( 18410 PWs) bands (ev): -42.3315 -42.3315 -42.2987 -42.2987 -19.4417 -19.4417 -19.3498 -19.3498 -17.9180 -17.9180 -17.8923 -17.8923 -8.8338 -8.8338 -8.6299 -8.6299 -5.0751 -5.0751 -4.8747 -4.8747 -4.8250 -4.8250 -4.8094 -4.8094 -4.7557 -4.7557 -3.9397 -3.9397 -2.2930 -2.2930 -2.1905 -2.1905 -1.9364 -1.9364 -1.5887 -1.5887 -1.3005 -1.3005 -0.9889 -0.9889 -0.7862 -0.7862 -0.5735 -0.5735 5.0640 5.0640 5.6375 5.6375 6.4707 6.4707 7.1272 7.1272 k = 0.0582-0.1025 0.4328 ( 18412 PWs) bands (ev): -42.3319 -42.3319 -42.2984 -42.2984 -19.4425 -19.4425 -19.3493 -19.3493 -17.9173 -17.9173 -17.8927 -17.8927 -8.8367 -8.8367 -8.6277 -8.6277 -5.0596 -5.0596 -4.8734 -4.8734 -4.8346 -4.8346 -4.8106 -4.8106 -4.7574 -4.7574 -3.9408 -3.9408 -2.2964 -2.2964 -2.1981 -2.1981 -1.9248 -1.9248 -1.5803 -1.5803 -1.3076 -1.3076 -0.9836 -0.9836 -0.7859 -0.7859 -0.5697 -0.5697 5.0320 5.0320 5.6018 5.6018 6.4515 6.4515 7.1171 7.1171 k = 0.0499-0.0879 0.4328 ( 18416 PWs) bands (ev): -42.3322 -42.3322 -42.2981 -42.2981 -19.4432 -19.4432 -19.3488 -19.3488 -17.9168 -17.9168 -17.8930 -17.8930 -8.8393 -8.8393 -8.6258 -8.6258 -5.0439 -5.0439 -4.8727 -4.8727 -4.8487 -4.8487 -4.8071 -4.8071 -4.7594 -4.7594 -3.9418 -3.9418 -2.2994 -2.2994 -2.2048 -2.2048 -1.9143 -1.9143 -1.5729 -1.5729 -1.3142 -1.3142 -0.9790 -0.9790 -0.7857 -0.7857 -0.5664 -0.5664 5.0041 5.0041 5.5704 5.5704 6.4348 6.4348 7.1081 7.1081 k = 0.0416-0.0732 0.4328 ( 18428 PWs) bands (ev): -42.3324 -42.3324 -42.2978 -42.2978 -19.4438 -19.4438 -19.3485 -19.3485 -17.9163 -17.9163 -17.8932 -17.8932 -8.8415 -8.8415 -8.6242 -8.6242 -5.0280 -5.0280 -4.8732 -4.8732 -4.8631 -4.8631 -4.8028 -4.8028 -4.7616 -4.7616 -3.9427 -3.9427 -2.3018 -2.3018 -2.2106 -2.2106 -1.9050 -1.9050 -1.5665 -1.5665 -1.3202 -1.3202 -0.9751 -0.9751 -0.7854 -0.7854 -0.5635 -0.5635 4.9804 4.9804 5.5435 5.5435 6.4207 6.4207 7.1005 7.1005 k = 0.0333-0.0586 0.4328 ( 18446 PWs) bands (ev): -42.3327 -42.3327 -42.2976 -42.2976 -19.4443 -19.4443 -19.3481 -19.3481 -17.9159 -17.9159 -17.8935 -17.8935 -8.8433 -8.8433 -8.6229 -8.6229 -5.0118 -5.0118 -4.8821 -4.8821 -4.8696 -4.8696 -4.7983 -4.7983 -4.7640 -4.7640 -3.9434 -3.9434 -2.3038 -2.3038 -2.2154 -2.2154 -1.8971 -1.8971 -1.5612 -1.5612 -1.3254 -1.3254 -0.9718 -0.9718 -0.7852 -0.7852 -0.5611 -0.5611 4.9608 4.9608 5.5212 5.5212 6.4091 6.4091 7.0941 7.0941 k = 0.0249-0.0439 0.4328 ( 18448 PWs) bands (ev): -42.3328 -42.3328 -42.2974 -42.2974 -19.4447 -19.4447 -19.3479 -19.3479 -17.9156 -17.9156 -17.8936 -17.8936 -8.8447 -8.8447 -8.6219 -8.6219 -4.9956 -4.9956 -4.8974 -4.8974 -4.8701 -4.8701 -4.7941 -4.7941 -4.7665 -4.7665 -3.9439 -3.9439 -2.3053 -2.3053 -2.2192 -2.2192 -1.8907 -1.8907 -1.5571 -1.5571 -1.3297 -1.3297 -0.9692 -0.9692 -0.7851 -0.7851 -0.5592 -0.5592 4.9456 4.9456 5.5037 5.5037 6.4000 6.4000 7.0891 7.0891 k = 0.0166-0.0293 0.4328 ( 18444 PWs) bands (ev): -42.3330 -42.3330 -42.2973 -42.2973 -19.4449 -19.4449 -19.3477 -19.3477 -17.9154 -17.9154 -17.8938 -17.8938 -8.8457 -8.8457 -8.6211 -8.6211 -4.9792 -4.9792 -4.9135 -4.9135 -4.8701 -4.8701 -4.7903 -4.7903 -4.7690 -4.7690 -3.9443 -3.9443 -2.3064 -2.3064 -2.2219 -2.2219 -1.8861 -1.8861 -1.5541 -1.5541 -1.3328 -1.3328 -0.9674 -0.9674 -0.7850 -0.7850 -0.5579 -0.5579 4.9347 4.9347 5.4912 5.4912 6.3935 6.3935 7.0855 7.0855 k = 0.0083-0.0146 0.4328 ( 18450 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4451 -19.4451 -19.3476 -19.3476 -17.9153 -17.9153 -17.8938 -17.8938 -8.8463 -8.8463 -8.6207 -8.6207 -4.9628 -4.9628 -4.9298 -4.9298 -4.8701 -4.8701 -4.7874 -4.7874 -4.7711 -4.7711 -3.9446 -3.9446 -2.3070 -2.3070 -2.2235 -2.2235 -1.8832 -1.8832 -1.5523 -1.5523 -1.3348 -1.3348 -0.9663 -0.9663 -0.7849 -0.7849 -0.5571 -0.5571 4.9281 4.9281 5.4836 5.4836 6.3896 6.3896 7.0834 7.0834 k = 0.0000 0.0000 0.4328 ( 18444 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4452 -19.4452 -19.3476 -19.3476 -17.9152 -17.9152 -17.8939 -17.8939 -8.8465 -8.8465 -8.6205 -8.6205 -4.9474 -4.9474 -4.9452 -4.9452 -4.8701 -4.8701 -4.7862 -4.7862 -4.7720 -4.7720 -3.9446 -3.9446 -2.3072 -2.3072 -2.2241 -2.2241 -1.8823 -1.8823 -1.5516 -1.5516 -1.3354 -1.3354 -0.9659 -0.9659 -0.7849 -0.7849 -0.5568 -0.5568 4.9259 4.9259 5.4811 5.4811 6.3883 6.3883 7.0827 7.0827 k = 0.0000 0.0000 0.4328 ( 18444 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4452 -19.4452 -19.3476 -19.3476 -17.9152 -17.9152 -17.8939 -17.8939 -8.8465 -8.8465 -8.6205 -8.6205 -4.9474 -4.9474 -4.9452 -4.9452 -4.8701 -4.8701 -4.7862 -4.7862 -4.7720 -4.7720 -3.9446 -3.9446 -2.3072 -2.3072 -2.2241 -2.2241 -1.8823 -1.8823 -1.5516 -1.5516 -1.3354 -1.3354 -0.9659 -0.9659 -0.7849 -0.7849 -0.5568 -0.5568 4.9259 4.9259 5.4811 5.4811 6.3883 6.3883 7.0827 7.0827 k = 0.0148 0.0084 0.4328 ( 18442 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4451 -19.4451 -19.3476 -19.3476 -17.9151 -17.9151 -17.8940 -17.8940 -8.8467 -8.8467 -8.6203 -8.6203 -4.9576 -4.9576 -4.9457 -4.9457 -4.8592 -4.8592 -4.7860 -4.7860 -4.7715 -4.7715 -3.9453 -3.9453 -2.3069 -2.3069 -2.2237 -2.2237 -1.8816 -1.8816 -1.5520 -1.5520 -1.3356 -1.3356 -0.9670 -0.9670 -0.7854 -0.7854 -0.5566 -0.5566 4.9269 4.9269 5.4830 5.4830 6.3861 6.3861 7.0809 7.0809 k = 0.0297 0.0168 0.4328 ( 18427 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4448 -19.4448 -19.3478 -19.3478 -17.9147 -17.9147 -17.8946 -17.8946 -8.8474 -8.8474 -8.6196 -8.6196 -4.9786 -4.9786 -4.9481 -4.9481 -4.8363 -4.8363 -4.7845 -4.7845 -4.7703 -4.7703 -3.9472 -3.9472 -2.3059 -2.3059 -2.2225 -2.2225 -1.8795 -1.8795 -1.5532 -1.5532 -1.3361 -1.3361 -0.9703 -0.9703 -0.7869 -0.7869 -0.5559 -0.5559 4.9298 4.9298 5.4888 5.4888 6.3796 6.3796 7.0757 7.0757 k = 0.0445 0.0253 0.4328 ( 18439 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4443 -19.4443 -19.3481 -19.3481 -17.9141 -17.9141 -17.8955 -17.8955 -8.8486 -8.8486 -8.6184 -8.6184 -5.0022 -5.0022 -4.9520 -4.9520 -4.8150 -4.8150 -4.7767 -4.7767 -4.7680 -4.7680 -3.9504 -3.9504 -2.3042 -2.3042 -2.2204 -2.2204 -1.8761 -1.8761 -1.5552 -1.5552 -1.3368 -1.3368 -0.9757 -0.9757 -0.7893 -0.7893 -0.5548 -0.5548 4.9346 4.9346 5.4984 5.4984 6.3690 6.3690 7.0675 7.0675 k = 0.0593 0.0337 0.4328 ( 18433 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4436 -19.4436 -19.3486 -19.3486 -17.9133 -17.9133 -17.8968 -17.8968 -8.8502 -8.8502 -8.6167 -8.6167 -5.0255 -5.0255 -4.9573 -4.9573 -4.8068 -4.8068 -4.7667 -4.7667 -4.7523 -4.7523 -3.9549 -3.9549 -2.3019 -2.3019 -2.2176 -2.2176 -1.8713 -1.8713 -1.5579 -1.5579 -1.3379 -1.3379 -0.9832 -0.9832 -0.7927 -0.7927 -0.5534 -0.5534 4.9414 4.9414 5.5117 5.5117 6.3546 6.3546 7.0567 7.0567 k = 0.0742 0.0421 0.4328 ( 18425 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4427 -19.4427 -19.3491 -19.3491 -17.9122 -17.9122 -17.8984 -17.8984 -8.8523 -8.8523 -8.6146 -8.6146 -5.0477 -5.0477 -4.9638 -4.9638 -4.8069 -4.8069 -4.7636 -4.7636 -4.7196 -4.7196 -3.9606 -3.9606 -2.2991 -2.2991 -2.2141 -2.2141 -1.8652 -1.8652 -1.5614 -1.5614 -1.3392 -1.3392 -0.9928 -0.9928 -0.7969 -0.7969 -0.5516 -0.5516 4.9501 4.9501 5.5284 5.5284 6.3368 6.3368 7.0438 7.0438 k = 0.0890 0.0505 0.4328 ( 18415 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4417 -19.4417 -19.3497 -19.3497 -17.9109 -17.9109 -17.9004 -17.9004 -8.8547 -8.8547 -8.6121 -8.6121 -5.0684 -5.0684 -4.9713 -4.9713 -4.8099 -4.8099 -4.7604 -4.7604 -4.6830 -4.6830 -3.9676 -3.9676 -2.2956 -2.2956 -2.2097 -2.2097 -1.8579 -1.8579 -1.5657 -1.5657 -1.3409 -1.3409 -1.0044 -1.0044 -0.8018 -0.8018 -0.5496 -0.5496 4.9609 4.9609 5.5483 5.5483 6.3162 6.3162 7.0294 7.0294 k = 0.1039 0.0590 0.4328 ( 18399 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4404 -19.4404 -19.3505 -19.3505 -17.9094 -17.9094 -17.9026 -17.9026 -8.8575 -8.8575 -8.6092 -8.6092 -5.0874 -5.0874 -4.9797 -4.9797 -4.8141 -4.8141 -4.7572 -4.7572 -4.6445 -4.6445 -3.9758 -3.9758 -2.2916 -2.2916 -2.2047 -2.2047 -1.8493 -1.8493 -1.5706 -1.5706 -1.3427 -1.3427 -1.0180 -1.0180 -0.8074 -0.8074 -0.5475 -0.5475 4.9736 4.9736 5.5710 5.5710 6.2934 6.2934 7.0139 7.0139 k = 0.1187 0.0674 0.4328 ( 18402 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4390 -19.4390 -19.3513 -19.3513 -17.9079 -17.9079 -17.9050 -17.9050 -8.8606 -8.8606 -8.6061 -8.6061 -5.1046 -5.1046 -4.9888 -4.9888 -4.8191 -4.8191 -4.7539 -4.7539 -4.6047 -4.6047 -3.9852 -3.9852 -2.2872 -2.2872 -2.1990 -2.1990 -1.8397 -1.8397 -1.5763 -1.5763 -1.3448 -1.3448 -1.0333 -1.0333 -0.8136 -0.8136 -0.5453 -0.5453 4.9882 4.9882 5.5963 5.5963 6.2692 6.2692 6.9977 6.9977 k = 0.1335 0.0758 0.4328 ( 18402 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4375 -19.4375 -19.3522 -19.3522 -17.9084 -17.9084 -17.9054 -17.9054 -8.8640 -8.8640 -8.6027 -8.6027 -5.1199 -5.1199 -4.9984 -4.9984 -4.8246 -4.8246 -4.7507 -4.7507 -4.5639 -4.5639 -3.9959 -3.9959 -2.2823 -2.2823 -2.1927 -2.1927 -1.8290 -1.8290 -1.5827 -1.5827 -1.3471 -1.3471 -1.0505 -1.0505 -0.8203 -0.8203 -0.5431 -0.5431 5.0049 5.0049 5.6236 5.6236 6.2442 6.2442 6.9811 6.9811 k = 0.1484 0.0842 0.4328 ( 18409 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4359 -19.4359 -19.3532 -19.3532 -17.9114 -17.9114 -17.9035 -17.9035 -8.8677 -8.8677 -8.5991 -8.5991 -5.1332 -5.1332 -5.0084 -5.0084 -4.8306 -4.8306 -4.7476 -4.7476 -4.5224 -4.5224 -4.0077 -4.0077 -2.2771 -2.2771 -2.1857 -2.1857 -1.8173 -1.8173 -1.5898 -1.5898 -1.3495 -1.3495 -1.0692 -1.0692 -0.8274 -0.8274 -0.5410 -0.5410 5.0235 5.0235 5.6522 5.6522 6.2193 6.2193 6.9644 6.9644 k = 0.1632 0.0926 0.4328 ( 18409 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4341 -19.4341 -19.3543 -19.3543 -17.9147 -17.9147 -17.9014 -17.9014 -8.8715 -8.8715 -8.5953 -8.5953 -5.1446 -5.1446 -5.0187 -5.0187 -4.8367 -4.8367 -4.7447 -4.7447 -4.4804 -4.4804 -4.0207 -4.0207 -2.2717 -2.2717 -2.1783 -2.1783 -1.8048 -1.8048 -1.5975 -1.5975 -1.3521 -1.3521 -1.0895 -1.0895 -0.8348 -0.8348 -0.5390 -0.5390 5.0440 5.0440 5.6814 5.6814 6.1954 6.1954 6.9476 6.9476 k = 0.1780 0.1011 0.4328 ( 18400 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4322 -19.4322 -19.3554 -19.3554 -17.9182 -17.9182 -17.8990 -17.8990 -8.8754 -8.8754 -8.5915 -8.5915 -5.1540 -5.1540 -5.0292 -5.0292 -4.8429 -4.8429 -4.7420 -4.7420 -4.4381 -4.4381 -4.0348 -4.0348 -2.2660 -2.2660 -2.1704 -2.1704 -1.7914 -1.7914 -1.6058 -1.6058 -1.3547 -1.3547 -1.1111 -1.1111 -0.8424 -0.8424 -0.5371 -0.5371 5.0663 5.0663 5.7102 5.7102 6.1736 6.1736 6.9310 6.9310 k = 0.1929 0.1095 0.4328 ( 18394 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4302 -19.4302 -19.3565 -19.3565 -17.9219 -17.9219 -17.8966 -17.8966 -8.8795 -8.8795 -8.5878 -8.5878 -5.1614 -5.1614 -5.0398 -5.0398 -4.8490 -4.8490 -4.7396 -4.7396 -4.3957 -4.3957 -4.0501 -4.0501 -2.2602 -2.2602 -2.1621 -2.1621 -1.7774 -1.7774 -1.6146 -1.6146 -1.3573 -1.3573 -1.1339 -1.1339 -0.8503 -0.8503 -0.5355 -0.5355 5.0905 5.0905 5.7374 5.7374 6.1552 6.1552 6.9148 6.9148 k = 0.2077 0.1179 0.4328 ( 18392 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4281 -19.4281 -19.3577 -19.3577 -17.9257 -17.9257 -17.8941 -17.8941 -8.8835 -8.8835 -8.5841 -8.5841 -5.1670 -5.1670 -5.0504 -5.0504 -4.8549 -4.8549 -4.7374 -4.7374 -4.3533 -4.3533 -4.0665 -4.0665 -2.2543 -2.2543 -2.1534 -2.1534 -1.7628 -1.7628 -1.6240 -1.6240 -1.3599 -1.3599 -1.1578 -1.1578 -0.8582 -0.8582 -0.5341 -0.5341 5.1164 5.1164 5.7615 5.7615 6.1414 6.1414 6.8991 6.8991 k = 0.2225 0.1263 0.4328 ( 18394 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4260 -19.4260 -19.3589 -19.3589 -17.9297 -17.9297 -17.8915 -17.8915 -8.8875 -8.8875 -8.5806 -8.5806 -5.1706 -5.1706 -5.0609 -5.0609 -4.8604 -4.8604 -4.7355 -4.7355 -4.3112 -4.3112 -4.0839 -4.0839 -2.2485 -2.2485 -2.1445 -2.1445 -1.7478 -1.7478 -1.6338 -1.6338 -1.3624 -1.3624 -1.1826 -1.1826 -0.8662 -0.8662 -0.5329 -0.5329 5.1439 5.1439 5.7808 5.7808 6.1339 6.1339 6.8841 6.8841 k = 0.2374 0.1347 0.4328 ( 18381 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4239 -19.4239 -19.3601 -19.3601 -17.9337 -17.9337 -17.8889 -17.8889 -8.8914 -8.8914 -8.5773 -8.5773 -5.1724 -5.1724 -5.0713 -5.0713 -4.8654 -4.8654 -4.7338 -4.7338 -4.2697 -4.2697 -4.1023 -4.1023 -2.2428 -2.2428 -2.1355 -2.1355 -1.7324 -1.7324 -1.6440 -1.6440 -1.3647 -1.3647 -1.2080 -1.2080 -0.8742 -0.8742 -0.5321 -0.5321 5.1730 5.1730 5.7940 5.7940 6.1335 6.1335 6.8700 6.8701 k = 0.2522 0.1432 0.4328 ( 18377 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4217 -19.4217 -19.3613 -19.3613 -17.9377 -17.9377 -17.8863 -17.8863 -8.8950 -8.8950 -8.5743 -8.5743 -5.1724 -5.1724 -5.0815 -5.0815 -4.8698 -4.8698 -4.7323 -4.7323 -4.2289 -4.2289 -4.1216 -4.1216 -2.2373 -2.2373 -2.1263 -2.1263 -1.7168 -1.7168 -1.6546 -1.6546 -1.3669 -1.3669 -1.2339 -1.2339 -0.8821 -0.8821 -0.5315 -0.5315 5.2035 5.2035 5.8006 5.8006 6.1405 6.1405 6.8572 6.8572 k = 0.2670 0.1516 0.4328 ( 18368 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4196 -19.4196 -19.3624 -19.3624 -17.9418 -17.9418 -17.8837 -17.8837 -8.8985 -8.8985 -8.5718 -8.5718 -5.1707 -5.1707 -5.0914 -5.0914 -4.8734 -4.8734 -4.7310 -4.7310 -4.1896 -4.1896 -4.1413 -4.1413 -2.2321 -2.2321 -2.1171 -2.1171 -1.7011 -1.7011 -1.6656 -1.6656 -1.3689 -1.3689 -1.2599 -1.2599 -0.8900 -0.8900 -0.5311 -0.5311 5.2353 5.2353 5.8011 5.8011 6.1539 6.1539 6.8459 6.8459 k = 0.2819 0.1600 0.4328 ( 18375 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4175 -19.4175 -19.3636 -19.3636 -17.9458 -17.9458 -17.8811 -17.8811 -8.9016 -8.9016 -8.5697 -8.5697 -5.1673 -5.1673 -5.1009 -5.1009 -4.8760 -4.8760 -4.7300 -4.7300 -4.1677 -4.1677 -4.1458 -4.1458 -2.2272 -2.2272 -2.1080 -2.1080 -1.6855 -1.6855 -1.6768 -1.6768 -1.3708 -1.3708 -1.2858 -1.2858 -0.8977 -0.8977 -0.5310 -0.5310 5.2682 5.2682 5.7970 5.7970 6.1719 6.1719 6.8364 6.8364 k = 0.2967 0.1684 0.4328 ( 18373 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4154 -19.4154 -19.3646 -19.3646 -17.9498 -17.9498 -17.8785 -17.8785 -8.9043 -8.9043 -8.5682 -8.5682 -5.1623 -5.1623 -5.1101 -5.1101 -4.8777 -4.8777 -4.7291 -4.7291 -4.1874 -4.1874 -4.1108 -4.1108 -2.2227 -2.2227 -2.0990 -2.0990 -1.6885 -1.6885 -1.6698 -1.6698 -1.3727 -1.3727 -1.3109 -1.3109 -0.9052 -0.9052 -0.5312 -0.5312 5.3020 5.3020 5.7900 5.7900 6.1921 6.1921 6.8291 6.8291 k = 0.3116 0.1769 0.4328 ( 18376 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4135 -19.4135 -19.3657 -19.3657 -17.9536 -17.9536 -17.8761 -17.8761 -8.9066 -8.9066 -8.5673 -8.5673 -5.1559 -5.1559 -5.1187 -5.1187 -4.8782 -4.8782 -4.7284 -4.7284 -4.2103 -4.2103 -4.0751 -4.0751 -2.2187 -2.2187 -2.0903 -2.0903 -1.7003 -1.7003 -1.6546 -1.6546 -1.3754 -1.3754 -1.3342 -1.3342 -0.9125 -0.9125 -0.5316 -0.5316 5.3365 5.3365 5.7815 5.7815 6.2127 6.2127 6.8240 6.8240 k = 0.3264 0.1853 0.4328 ( 18388 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4116 -19.4116 -19.3666 -19.3666 -17.9573 -17.9573 -17.8737 -17.8737 -8.9083 -8.9083 -8.5671 -8.5671 -5.1483 -5.1483 -5.1267 -5.1267 -4.8774 -4.8774 -4.7278 -4.7278 -4.2342 -4.2342 -4.0409 -4.0409 -2.2153 -2.2153 -2.0819 -2.0819 -1.7124 -1.7124 -1.6398 -1.6398 -1.3821 -1.3821 -1.3522 -1.3522 -0.9195 -0.9195 -0.5321 -0.5321 5.3714 5.3714 5.7728 5.7728 6.2321 6.2321 6.8215 6.8215 k = 0.3412 0.1937 0.4328 ( 18390 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4098 -19.4098 -19.3675 -19.3675 -17.9608 -17.9608 -17.8715 -17.8715 -8.9095 -8.9095 -8.5677 -8.5677 -5.1413 -5.1413 -5.1323 -5.1323 -4.8753 -4.8753 -4.7273 -4.7273 -4.2590 -4.2590 -4.0088 -4.0088 -2.2123 -2.2123 -2.0739 -2.0739 -1.7248 -1.7248 -1.6255 -1.6255 -1.3969 -1.3969 -1.3603 -1.3603 -0.9262 -0.9262 -0.5328 -0.5328 5.4062 5.4062 5.7649 5.7649 6.2492 6.2492 6.8215 6.8215 k = 0.3561 0.2021 0.4328 ( 18385 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4081 -19.4081 -19.3683 -19.3683 -17.9641 -17.9641 -17.8694 -17.8694 -8.9101 -8.9101 -8.5690 -8.5690 -5.1439 -5.1439 -5.1266 -5.1266 -4.8718 -4.8718 -4.7269 -4.7269 -4.2845 -4.2845 -3.9788 -3.9788 -2.2100 -2.2100 -2.0663 -2.0663 -1.7376 -1.7376 -1.6119 -1.6119 -1.4160 -1.4160 -1.3620 -1.3620 -0.9326 -0.9326 -0.5335 -0.5335 5.4406 5.4406 5.7589 5.7589 6.2632 6.2632 6.8238 6.8238 k = 0.3709 0.2105 0.4328 ( 18388 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4066 -19.4066 -19.3690 -19.3690 -17.9672 -17.9672 -17.8674 -17.8674 -8.9100 -8.9100 -8.5712 -8.5712 -5.1500 -5.1500 -5.1156 -5.1156 -4.8668 -4.8668 -4.7265 -4.7265 -4.3107 -4.3107 -3.9513 -3.9513 -2.2082 -2.2082 -2.0593 -2.0593 -1.7508 -1.7508 -1.5992 -1.5992 -1.4351 -1.4351 -1.3613 -1.3613 -0.9386 -0.9386 -0.5343 -0.5343 5.4737 5.4737 5.7554 5.7554 6.2738 6.2738 6.8279 6.8279 k = 0.3857 0.2190 0.4328 ( 18385 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4053 -19.4053 -19.3696 -19.3696 -17.9700 -17.9700 -17.8656 -17.8656 -8.9091 -8.9091 -8.5743 -8.5743 -5.1559 -5.1559 -5.1033 -5.1033 -4.8603 -4.8603 -4.7261 -4.7261 -4.3374 -4.3374 -3.9264 -3.9264 -2.2070 -2.2070 -2.0529 -2.0529 -1.7645 -1.7645 -1.5874 -1.5874 -1.4525 -1.4525 -1.3592 -1.3592 -0.9443 -0.9443 -0.5350 -0.5350 5.5047 5.5047 5.7556 5.7556 6.2812 6.2812 6.8332 6.8332 k = 0.4006 0.2274 0.4328 ( 18387 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4042 -19.4042 -19.3701 -19.3701 -17.9725 -17.9725 -17.8640 -17.8640 -8.9074 -8.9074 -8.5783 -8.5783 -5.1613 -5.1613 -5.0901 -5.0901 -4.8523 -4.8523 -4.7258 -4.7258 -4.3646 -4.3646 -3.9045 -3.9045 -2.2063 -2.2063 -2.0472 -2.0472 -1.7788 -1.7788 -1.5766 -1.5766 -1.4676 -1.4676 -1.3563 -1.3563 -0.9495 -0.9495 -0.5357 -0.5357 5.5324 5.5324 5.7606 5.7606 6.2856 6.2856 6.8388 6.8388 k = 0.4154 0.2358 0.4328 ( 18369 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4032 -19.4032 -19.3705 -19.3705 -17.9747 -17.9747 -17.8627 -17.8627 -8.9050 -8.9050 -8.5832 -8.5832 -5.1662 -5.1662 -5.0761 -5.0761 -4.8428 -4.8428 -4.7254 -4.7254 -4.3922 -4.3922 -3.8856 -3.8856 -2.2061 -2.2061 -2.0421 -2.0421 -1.7936 -1.7936 -1.5671 -1.5671 -1.4801 -1.4801 -1.3527 -1.3527 -0.9542 -0.9542 -0.5363 -0.5363 5.5557 5.5557 5.7714 5.7714 6.2875 6.2875 6.8440 6.8440 k = 0.4302 0.2442 0.4328 ( 18367 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4025 -19.4025 -19.3707 -19.3707 -17.9765 -17.9765 -17.8615 -17.8615 -8.9016 -8.9016 -8.5890 -8.5890 -5.1703 -5.1703 -5.0615 -5.0615 -4.8318 -4.8318 -4.7250 -4.7250 -4.4200 -4.4200 -3.8699 -3.8699 -2.2063 -2.2063 -2.0379 -2.0379 -1.8089 -1.8089 -1.5588 -1.5588 -1.4895 -1.4895 -1.3484 -1.3484 -0.9585 -0.9585 -0.5367 -0.5367 5.5739 5.5739 5.7885 5.7885 6.2876 6.2876 6.8479 6.8479 k = 0.5000 0.2838-0.1897 ( 18384 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3992 -19.3992 -19.3732 -19.3732 -17.9815 -17.9815 -17.8578 -17.8578 -8.8513 -8.8513 -8.6471 -8.6471 -5.2782 -5.2782 -5.0094 -5.0094 -4.7737 -4.7737 -4.5842 -4.5842 -4.5196 -4.5196 -3.8375 -3.8375 -2.2762 -2.2762 -2.0203 -2.0203 -1.8440 -1.8440 -1.5507 -1.5507 -1.4725 -1.4725 -1.3262 -1.3262 -1.1198 -1.1198 -0.4353 -0.4353 5.4519 5.4519 5.9637 5.9637 6.3890 6.3890 6.5873 6.5873 k = 0.5080 0.2697-0.1897 ( 18394 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.3991 -19.3991 -19.3733 -19.3733 -17.9815 -17.9815 -17.8578 -17.8578 -8.8513 -8.8513 -8.6469 -8.6469 -5.2784 -5.2784 -5.0093 -5.0093 -4.7738 -4.7738 -4.5850 -4.5850 -4.5196 -4.5196 -3.8375 -3.8375 -2.2757 -2.2757 -2.0207 -2.0207 -1.8443 -1.8443 -1.5511 -1.5511 -1.4717 -1.4717 -1.3262 -1.3262 -1.1193 -1.1193 -0.4357 -0.4357 5.4544 5.4544 5.9650 5.9650 6.3901 6.3901 6.5888 6.5888 k = 0.5161 0.2555-0.1897 ( 18384 PWs) bands (ev): -42.3329 -42.3329 -42.2973 -42.2973 -19.3990 -19.3990 -19.3735 -19.3735 -17.9813 -17.9813 -17.8578 -17.8578 -8.8514 -8.8514 -8.6463 -8.6463 -5.2788 -5.2788 -5.0091 -5.0091 -4.7740 -4.7740 -4.5872 -4.5872 -4.5195 -4.5195 -3.8375 -3.8375 -2.2742 -2.2742 -2.0220 -2.0220 -1.8452 -1.8452 -1.5524 -1.5524 -1.4694 -1.4694 -1.3262 -1.3262 -1.1180 -1.1180 -0.4369 -0.4369 5.4618 5.4618 5.9689 5.9689 6.3934 6.3934 6.5933 6.5933 k = 0.5241 0.2414-0.1897 ( 18390 PWs) bands (ev): -42.3328 -42.3328 -42.2974 -42.2974 -19.3987 -19.3987 -19.3737 -19.3737 -17.9811 -17.9811 -17.8579 -17.8579 -8.8516 -8.8516 -8.6453 -8.6453 -5.2795 -5.2795 -5.0087 -5.0087 -4.7745 -4.7745 -4.5909 -4.5909 -4.5195 -4.5195 -3.8376 -3.8376 -2.2719 -2.2719 -2.0241 -2.0241 -1.8466 -1.8466 -1.5546 -1.5546 -1.4655 -1.4655 -1.3262 -1.3262 -1.1157 -1.1157 -0.4388 -0.4388 5.4742 5.4742 5.9754 5.9754 6.3988 6.3988 6.6009 6.6009 k = 0.5321 0.2272-0.1897 ( 18398 PWs) bands (ev): -42.3326 -42.3326 -42.2976 -42.2976 -19.3984 -19.3984 -19.3741 -19.3741 -17.9809 -17.9809 -17.8581 -17.8581 -8.8519 -8.8519 -8.6439 -8.6439 -5.2805 -5.2805 -5.0081 -5.0081 -4.7751 -4.7751 -4.5960 -4.5960 -4.5194 -4.5194 -3.8376 -3.8376 -2.2686 -2.2686 -2.0269 -2.0269 -1.8486 -1.8486 -1.5577 -1.5577 -1.4603 -1.4603 -1.3261 -1.3261 -1.1125 -1.1125 -0.4415 -0.4415 5.4913 5.4913 5.9847 5.9847 6.4060 6.4060 6.6119 6.6119 k = 0.5402 0.2131-0.1897 ( 18400 PWs) bands (ev): -42.3324 -42.3324 -42.2978 -42.2978 -19.3980 -19.3980 -19.3746 -19.3746 -17.9805 -17.9805 -17.8582 -17.8582 -8.8522 -8.8522 -8.6420 -8.6420 -5.2818 -5.2818 -5.0074 -5.0074 -4.7759 -4.7759 -4.6025 -4.6025 -4.5193 -4.5193 -3.8377 -3.8377 -2.2646 -2.2646 -2.0302 -2.0302 -1.8512 -1.8512 -1.5617 -1.5617 -1.4537 -1.4537 -1.3260 -1.3260 -1.1085 -1.1085 -0.4449 -0.4449 5.5130 5.5130 5.9967 5.9967 6.4148 6.4148 6.6264 6.6264 k = 0.5482 0.1989-0.1897 ( 18390 PWs) bands (ev): -42.3322 -42.3322 -42.2980 -42.2980 -19.3974 -19.3974 -19.3752 -19.3752 -17.9801 -17.9801 -17.8584 -17.8584 -8.8527 -8.8527 -8.6398 -8.6398 -5.2833 -5.2833 -5.0066 -5.0066 -4.7768 -4.7768 -4.6103 -4.6103 -4.5192 -4.5192 -3.8379 -3.8379 -2.2599 -2.2599 -2.0339 -2.0339 -1.8542 -1.8542 -1.5666 -1.5666 -1.4459 -1.4459 -1.3259 -1.3259 -1.1036 -1.1036 -0.4490 -0.4490 5.5391 5.5391 6.0116 6.0116 6.4247 6.4247 6.6448 6.6448 k = 0.5562 0.1848-0.1897 ( 18380 PWs) bands (ev): -42.3319 -42.3319 -42.2983 -42.2983 -19.3968 -19.3968 -19.3760 -19.3760 -17.9795 -17.9795 -17.8587 -17.8587 -8.8532 -8.8532 -8.6372 -8.6372 -5.2851 -5.2851 -5.0056 -5.0056 -4.7780 -4.7780 -4.6193 -4.6193 -4.5191 -4.5191 -3.8380 -3.8380 -2.2547 -2.2547 -2.0378 -2.0378 -1.8578 -1.8578 -1.5723 -1.5723 -1.4370 -1.4370 -1.3256 -1.3256 -1.0980 -1.0980 -0.4538 -0.4538 5.5693 5.5693 6.0295 6.0295 6.4355 6.4355 6.6671 6.6671 k = 0.5643 0.1706-0.1897 ( 18392 PWs) bands (ev): -42.3316 -42.3316 -42.2986 -42.2986 -19.3961 -19.3961 -19.3768 -19.3768 -17.9790 -17.9790 -17.8589 -17.8589 -8.8539 -8.8539 -8.6342 -8.6342 -5.2870 -5.2870 -5.0045 -5.0045 -4.7792 -4.7792 -4.6295 -4.6295 -4.5190 -4.5190 -3.8382 -3.8382 -2.2490 -2.2490 -2.0416 -2.0416 -1.8617 -1.8617 -1.5788 -1.5788 -1.4272 -1.4272 -1.3253 -1.3253 -1.0916 -1.0916 -0.4592 -0.4592 5.6032 5.6032 6.0508 6.0508 6.4470 6.4470 6.6937 6.6937 k = 0.5723 0.1564-0.1897 ( 18394 PWs) bands (ev): -42.3312 -42.3312 -42.2990 -42.2990 -19.3954 -19.3954 -19.3777 -19.3777 -17.9783 -17.9783 -17.8593 -17.8593 -8.8546 -8.8546 -8.6309 -8.6309 -5.2891 -5.2891 -5.0032 -5.0032 -4.7807 -4.7807 -4.6407 -4.6407 -4.5189 -4.5189 -3.8385 -3.8385 -2.2433 -2.2433 -2.0452 -2.0452 -1.8660 -1.8660 -1.5862 -1.5862 -1.4166 -1.4166 -1.3248 -1.3248 -1.0844 -1.0844 -0.4652 -0.4652 5.6403 5.6403 6.0756 6.0756 6.4588 6.4588 6.7245 6.7245 k = 0.5803 0.1423-0.1897 ( 18384 PWs) bands (ev): -42.3308 -42.3308 -42.2994 -42.2994 -19.3945 -19.3945 -19.3788 -19.3788 -17.9776 -17.9776 -17.8596 -17.8596 -8.8554 -8.8554 -8.6272 -8.6272 -5.2913 -5.2913 -5.0018 -5.0018 -4.7823 -4.7823 -4.6528 -4.6528 -4.5188 -4.5188 -3.8388 -3.8388 -2.2375 -2.2375 -2.0482 -2.0482 -1.8707 -1.8707 -1.5944 -1.5944 -1.4053 -1.4053 -1.3243 -1.3243 -1.0766 -1.0766 -0.4718 -0.4718 5.6801 5.6801 6.1043 6.1043 6.4708 6.4708 6.7597 6.7597 k = 0.5884 0.1281-0.1897 ( 18378 PWs) bands (ev): -42.3303 -42.3303 -42.2999 -42.2999 -19.3935 -19.3935 -19.3799 -19.3799 -17.9768 -17.9768 -17.8600 -17.8600 -8.8564 -8.8564 -8.6232 -8.6232 -5.2937 -5.2937 -5.0003 -5.0003 -4.7840 -4.7840 -4.6659 -4.6659 -4.5186 -4.5186 -3.8391 -3.8391 -2.2319 -2.2319 -2.0505 -2.0505 -1.8757 -1.8757 -1.6034 -1.6034 -1.3935 -1.3935 -1.3235 -1.3235 -1.0681 -1.0681 -0.4789 -0.4789 5.7221 5.7221 6.1373 6.1373 6.4829 6.4829 6.7990 6.7990 k = 0.5964 0.1140-0.1897 ( 18360 PWs) bands (ev): -42.3298 -42.3298 -42.3004 -42.3004 -19.3925 -19.3925 -19.3811 -19.3811 -17.9759 -17.9759 -17.8604 -17.8604 -8.8575 -8.8575 -8.6188 -8.6188 -5.2961 -5.2961 -4.9986 -4.9986 -4.7859 -4.7859 -4.6796 -4.6796 -4.5184 -4.5184 -3.8395 -3.8395 -2.2268 -2.2268 -2.0517 -2.0517 -1.8809 -1.8809 -1.6130 -1.6130 -1.3813 -1.3813 -1.3226 -1.3226 -1.0589 -1.0589 -0.4865 -0.4865 5.7653 5.7653 6.1750 6.1750 6.4950 6.4950 6.8425 6.8425 k = 0.6044 0.0998-0.1897 ( 18358 PWs) bands (ev): -42.3293 -42.3293 -42.3009 -42.3009 -19.3914 -19.3914 -19.3824 -19.3824 -17.9750 -17.9750 -17.8608 -17.8608 -8.8587 -8.8587 -8.6142 -8.6142 -5.2986 -5.2986 -4.9968 -4.9968 -4.7879 -4.7879 -4.6941 -4.6941 -4.5182 -4.5182 -3.8400 -3.8400 -2.2224 -2.2224 -2.0518 -2.0518 -1.8864 -1.8864 -1.6234 -1.6234 -1.3688 -1.3688 -1.3214 -1.3214 -1.0492 -1.0492 -0.4945 -0.4945 5.8092 5.8092 6.2179 6.2179 6.5072 6.5072 6.8897 6.8897 k = 0.6125 0.0857-0.1897 ( 18360 PWs) bands (ev): -42.3287 -42.3287 -42.3015 -42.3015 -19.3902 -19.3902 -19.3839 -19.3839 -17.9740 -17.9740 -17.8613 -17.8613 -8.8600 -8.8600 -8.6093 -8.6093 -5.3011 -5.3011 -4.9948 -4.9948 -4.7901 -4.7901 -4.7090 -4.7090 -4.5180 -4.5180 -3.8405 -3.8405 -2.2187 -2.2187 -2.0504 -2.0504 -1.8920 -1.8920 -1.6345 -1.6345 -1.3561 -1.3561 -1.3201 -1.3201 -1.0390 -1.0390 -0.5029 -0.5029 5.8530 5.8530 6.2662 6.2662 6.5194 6.5194 6.9407 6.9407 k = 0.6205 0.0715-0.1897 ( 18362 PWs) bands (ev): -42.3281 -42.3281 -42.3021 -42.3021 -19.3890 -19.3890 -19.3854 -19.3854 -17.9729 -17.9729 -17.8618 -17.8618 -8.8615 -8.8615 -8.6040 -8.6040 -5.3035 -5.3035 -4.9927 -4.9927 -4.7923 -4.7923 -4.7244 -4.7244 -4.5177 -4.5177 -3.8411 -3.8411 -2.2159 -2.2159 -2.0476 -2.0476 -1.8978 -1.8978 -1.6462 -1.6462 -1.3434 -1.3434 -1.3184 -1.3184 -1.0282 -1.0282 -0.5116 -0.5116 5.8962 5.8962 6.3202 6.3202 6.5315 6.5315 6.9950 6.9950 k = 0.6285 0.0574-0.1897 ( 18360 PWs) bands (ev): -42.3275 -42.3275 -42.3027 -42.3027 -19.3876 -19.3876 -19.3869 -19.3869 -17.9718 -17.9718 -17.8624 -17.8624 -8.8631 -8.8631 -8.5986 -8.5986 -5.3060 -5.3060 -4.9905 -4.9905 -4.7948 -4.7948 -4.7401 -4.7401 -4.5174 -4.5174 -3.8418 -3.8418 -2.2140 -2.2140 -2.0433 -2.0433 -1.9038 -1.9038 -1.6584 -1.6584 -1.3308 -1.3308 -1.3164 -1.3164 -1.0169 -1.0169 -0.5207 -0.5207 5.9383 5.9383 6.3797 6.3797 6.5435 6.5435 7.0525 7.0525 k = 0.6366 0.0432-0.1897 ( 18362 PWs) bands (ev): -42.3268 -42.3268 -42.3034 -42.3034 -19.3886 -19.3886 -19.3863 -19.3863 -17.9706 -17.9706 -17.8629 -17.8629 -8.8649 -8.8649 -8.5929 -8.5929 -5.3083 -5.3083 -4.9881 -4.9881 -4.7973 -4.7973 -4.7560 -4.7560 -4.5170 -4.5170 -3.8426 -3.8426 -2.2128 -2.2128 -2.0378 -2.0378 -1.9098 -1.9098 -1.6712 -1.6712 -1.3191 -1.3191 -1.3135 -1.3135 -1.0052 -1.0052 -0.5300 -0.5300 5.9791 5.9791 6.4445 6.4445 6.5553 6.5553 7.1127 7.1127 k = 0.6446 0.0291-0.1897 ( 18360 PWs) bands (ev): -42.3261 -42.3261 -42.3041 -42.3041 -19.3904 -19.3904 -19.3848 -19.3848 -17.9694 -17.9694 -17.8635 -17.8635 -8.8668 -8.8668 -8.5870 -8.5870 -5.3106 -5.3106 -4.9855 -4.9855 -4.8001 -4.8001 -4.7720 -4.7720 -4.5166 -4.5166 -3.8434 -3.8434 -2.2122 -2.2122 -2.0310 -2.0310 -1.9160 -1.9160 -1.6845 -1.6845 -1.3131 -1.3131 -1.3046 -1.3046 -0.9930 -0.9930 -0.5396 -0.5396 6.0186 6.0186 6.5138 6.5138 6.5668 6.5668 7.1755 7.1755 k = 0.6526 0.0149-0.1897 ( 18368 PWs) bands (ev): -42.3254 -42.3254 -42.3048 -42.3048 -19.3922 -19.3922 -19.3833 -19.3833 -17.9681 -17.9681 -17.8641 -17.8641 -8.8689 -8.8689 -8.5809 -8.5809 -5.3127 -5.3127 -4.9827 -4.9827 -4.8033 -4.8033 -4.7876 -4.7876 -4.5162 -4.5162 -3.8443 -3.8443 -2.2120 -2.2120 -2.0233 -2.0233 -1.9222 -1.9222 -1.6982 -1.6982 -1.3101 -1.3101 -1.2927 -1.2927 -0.9805 -0.9805 -0.5494 -0.5494 6.0568 6.0568 6.5778 6.5778 6.5870 6.5870 7.2404 7.2404 k = 0.6607 0.0008-0.1897 ( 18364 PWs) bands (ev): -42.3246 -42.3246 -42.3056 -42.3056 -19.3941 -19.3941 -19.3818 -19.3818 -17.9668 -17.9668 -17.8648 -17.8648 -8.8712 -8.8712 -8.5746 -8.5746 -5.3147 -5.3147 -4.9797 -4.9797 -4.8092 -4.8092 -4.8005 -4.8005 -4.5157 -4.5157 -3.8453 -3.8453 -2.2120 -2.2120 -2.0148 -2.0148 -1.9285 -1.9285 -1.7123 -1.7123 -1.3070 -1.3070 -1.2809 -1.2809 -0.9675 -0.9675 -0.5593 -0.5593 6.0937 6.0937 6.5884 6.5884 6.6627 6.6627 7.3070 7.3070 k = 0.3393-0.5978-0.0000 ( 18364 PWs) bands (ev): -42.3246 -42.3246 -42.3056 -42.3056 -19.3941 -19.3941 -19.3818 -19.3818 -17.9668 -17.9668 -17.8648 -17.8648 -8.8712 -8.8712 -8.5746 -8.5746 -5.3147 -5.3147 -4.9797 -4.9797 -4.8092 -4.8092 -4.8005 -4.8005 -4.5157 -4.5157 -3.8453 -3.8453 -2.2120 -2.2120 -2.0148 -2.0148 -1.9285 -1.9285 -1.7123 -1.7123 -1.3070 -1.3070 -1.2809 -1.2809 -0.9675 -0.9675 -0.5593 -0.5593 6.0937 6.0937 6.5884 6.5884 6.6627 6.6627 7.3070 7.3070 k = 0.3310-0.5832-0.0000 ( 18366 PWs) bands (ev): -42.3238 -42.3238 -42.3064 -42.3064 -19.3961 -19.3961 -19.3801 -19.3801 -17.9654 -17.9654 -17.8655 -17.8655 -8.8737 -8.8737 -8.5680 -8.5680 -5.3166 -5.3166 -4.9765 -4.9765 -4.8228 -4.8228 -4.8063 -4.8063 -4.5151 -4.5151 -3.8464 -3.8464 -2.2121 -2.2121 -2.0054 -2.0054 -1.9352 -1.9352 -1.7272 -1.7272 -1.3036 -1.3036 -1.2690 -1.2690 -0.9537 -0.9537 -0.5697 -0.5697 6.1305 6.1305 6.5983 6.5983 6.7421 6.7421 7.3770 7.3770 k = 0.3228-0.5686-0.0000 ( 18370 PWs) bands (ev): -42.3230 -42.3230 -42.3072 -42.3072 -19.3981 -19.3981 -19.3785 -19.3785 -17.9640 -17.9640 -17.8662 -17.8662 -8.8764 -8.8764 -8.5613 -8.5613 -5.3183 -5.3183 -4.9729 -4.9729 -4.8385 -4.8385 -4.8097 -4.8097 -4.5145 -4.5145 -3.8476 -3.8476 -2.2121 -2.2121 -1.9956 -1.9956 -1.9419 -1.9419 -1.7424 -1.7424 -1.2998 -1.2998 -1.2575 -1.2575 -0.9396 -0.9396 -0.5803 -0.5803 6.1662 6.1662 6.6072 6.6072 6.8212 6.8212 7.4477 7.4477 k = 0.3145-0.5540-0.0000 ( 18362 PWs) bands (ev): -42.3222 -42.3222 -42.3081 -42.3081 -19.4003 -19.4003 -19.3767 -19.3767 -17.9625 -17.9625 -17.8669 -17.8669 -8.8793 -8.8793 -8.5545 -8.5545 -5.3198 -5.3198 -4.9691 -4.9691 -4.8543 -4.8543 -4.8128 -4.8128 -4.5138 -4.5138 -3.8489 -3.8489 -2.2117 -2.2117 -1.9855 -1.9855 -1.9487 -1.9487 -1.7579 -1.7579 -1.2957 -1.2957 -1.2465 -1.2465 -0.9252 -0.9252 -0.5910 -0.5910 6.2008 6.2008 6.6145 6.6145 6.8979 6.8979 7.5184 7.5184 k = 0.3062-0.5395-0.0000 ( 18370 PWs) bands (ev): -42.3213 -42.3213 -42.3089 -42.3089 -19.4024 -19.4024 -19.3750 -19.3750 -17.9610 -17.9610 -17.8677 -17.8677 -8.8823 -8.8823 -8.5475 -8.5475 -5.3211 -5.3211 -4.9650 -4.9650 -4.8699 -4.8699 -4.8159 -4.8159 -4.5130 -4.5130 -3.8503 -3.8503 -2.2110 -2.2110 -1.9753 -1.9753 -1.9556 -1.9556 -1.7735 -1.7735 -1.2912 -1.2912 -1.2361 -1.2361 -0.9104 -0.9104 -0.6018 -0.6018 6.2342 6.2342 6.6201 6.6201 6.9698 6.9698 7.5881 7.5881 k = 0.2979-0.5249-0.0000 ( 18380 PWs) bands (ev): -42.3204 -42.3204 -42.3098 -42.3098 -19.4046 -19.4046 -19.3732 -19.3732 -17.9594 -17.9594 -17.8684 -17.8684 -8.8856 -8.8856 -8.5406 -8.5406 -5.3222 -5.3222 -4.9606 -4.9606 -4.8850 -4.8850 -4.8189 -4.8189 -4.5122 -4.5122 -3.8517 -3.8517 -2.2098 -2.2098 -1.9657 -1.9657 -1.9620 -1.9620 -1.7893 -1.7893 -1.2864 -1.2864 -1.2262 -1.2262 -0.8953 -0.8953 -0.6127 -0.6127 6.2662 6.2662 6.6235 6.6235 7.0346 7.0346 7.6557 7.6557 k = 0.2897-0.5103-0.0000 ( 18368 PWs) bands (ev): -42.3195 -42.3195 -42.3107 -42.3107 -19.4069 -19.4069 -19.3714 -19.3714 -17.9579 -17.9579 -17.8692 -17.8692 -8.8890 -8.8890 -8.5336 -8.5336 -5.3232 -5.3232 -4.9559 -4.9559 -4.8996 -4.8996 -4.8219 -4.8219 -4.5113 -4.5113 -3.8532 -3.8532 -2.2080 -2.2080 -1.9702 -1.9702 -1.9545 -1.9545 -1.8052 -1.8052 -1.2811 -1.2811 -1.2169 -1.2169 -0.8799 -0.8799 -0.6237 -0.6237 6.2968 6.2968 6.6242 6.6242 7.0901 7.0901 7.7194 7.7194 k = 0.2814-0.4957-0.0000 ( 18386 PWs) bands (ev): -42.3186 -42.3186 -42.3116 -42.3116 -19.4092 -19.4092 -19.3695 -19.3695 -17.9563 -17.9563 -17.8700 -17.8700 -8.8926 -8.8926 -8.5266 -8.5266 -5.3239 -5.3239 -4.9509 -4.9509 -4.9136 -4.9136 -4.8249 -4.8249 -4.5104 -4.5104 -3.8548 -3.8548 -2.2055 -2.2055 -1.9776 -1.9776 -1.9444 -1.9444 -1.8211 -1.8211 -1.2755 -1.2755 -1.2083 -1.2083 -0.8643 -0.8643 -0.6348 -0.6348 6.3256 6.3256 6.6218 6.6218 7.1347 7.1347 7.7773 7.7773 k = 0.2731-0.4811-0.0000 ( 18394 PWs) bands (ev): -42.3177 -42.3177 -42.3126 -42.3126 -19.4115 -19.4115 -19.3677 -19.3677 -17.9547 -17.9547 -17.8708 -17.8708 -8.8964 -8.8964 -8.5196 -8.5196 -5.3245 -5.3245 -4.9460 -4.9460 -4.9265 -4.9265 -4.8278 -4.8278 -4.5094 -4.5094 -3.8565 -3.8565 -2.2023 -2.2023 -1.9853 -1.9853 -1.9344 -1.9344 -1.8370 -1.8370 -1.2695 -1.2695 -1.2003 -1.2003 -0.8484 -0.8484 -0.6460 -0.6460 6.3524 6.3524 6.6157 6.6157 7.1681 7.1681 7.8144 7.8149 k = 0.2648-0.4666-0.0000 ( 18404 PWs) bands (ev): -42.3168 -42.3168 -42.3135 -42.3135 -19.4139 -19.4139 -19.3658 -19.3658 -17.9531 -17.9531 -17.8716 -17.8716 -8.9004 -8.9004 -8.5127 -8.5127 -5.3249 -5.3249 -4.9449 -4.9449 -4.9345 -4.9345 -4.8306 -4.8306 -4.5084 -4.5084 -3.8582 -3.8582 -2.1984 -2.1984 -1.9932 -1.9932 -1.9245 -1.9245 -1.8528 -1.8528 -1.2631 -1.2631 -1.1930 -1.1930 -0.8322 -0.8322 -0.6573 -0.6573 6.3766 6.3766 6.6054 6.6054 7.1908 7.1908 7.7220 7.7220 k = 0.2566-0.4520-0.0000 ( 18398 PWs) bands (ev): -42.3159 -42.3159 -42.3144 -42.3144 -19.4162 -19.4162 -19.3640 -19.3640 -17.9515 -17.9515 -17.8725 -17.8725 -8.9045 -8.9045 -8.5058 -8.5058 -5.3251 -5.3251 -4.9543 -4.9543 -4.9311 -4.9311 -4.8334 -4.8334 -4.5074 -4.5074 -3.8600 -3.8600 -2.1938 -2.1938 -2.0014 -2.0014 -1.9148 -1.9148 -1.8684 -1.8684 -1.2563 -1.2563 -1.1865 -1.1865 -0.8159 -0.8159 -0.6686 -0.6686 6.3978 6.3978 6.5906 6.5906 7.2043 7.2043 7.6290 7.6290 k = 0.2483-0.4374-0.0000 ( 18386 PWs) bands (ev): -42.3154 -42.3154 -42.3149 -42.3149 -19.4186 -19.4186 -19.3621 -19.3621 -17.9498 -17.9498 -17.8733 -17.8733 -8.9087 -8.9087 -8.4990 -8.4990 -5.3252 -5.3252 -4.9654 -4.9654 -4.9248 -4.9248 -4.8360 -4.8360 -4.5063 -4.5063 -3.8619 -3.8619 -2.1884 -2.1884 -2.0099 -2.0099 -1.9053 -1.9053 -1.8839 -1.8839 -1.2492 -1.2492 -1.1808 -1.1808 -0.7994 -0.7994 -0.6801 -0.6801 6.4153 6.4153 6.5709 6.5709 7.2098 7.2098 7.5372 7.5372 k = 0.2400-0.4228-0.0000 ( 18384 PWs) bands (ev): -42.3163 -42.3163 -42.3140 -42.3140 -19.4209 -19.4209 -19.3603 -19.3603 -17.9482 -17.9482 -17.8741 -17.8741 -8.9131 -8.9131 -8.4923 -8.4923 -5.3253 -5.3253 -4.9762 -4.9762 -4.9178 -4.9178 -4.8384 -4.8384 -4.5051 -4.5051 -3.8638 -3.8638 -2.1822 -2.1822 -2.0187 -2.0187 -1.8994 -1.8994 -1.8958 -1.8958 -1.2417 -1.2417 -1.1758 -1.1758 -0.7827 -0.7827 -0.6916 -0.6916 6.4284 6.4284 6.5460 6.5460 7.2089 7.2089 7.4479 7.4479 k = 0.2317-0.4082-0.0000 ( 18386 PWs) bands (ev): -42.3172 -42.3172 -42.3131 -42.3131 -19.4233 -19.4233 -19.3584 -19.3584 -17.9466 -17.9466 -17.8750 -17.8750 -8.9176 -8.9176 -8.4857 -8.4857 -5.3252 -5.3252 -4.9862 -4.9862 -4.9105 -4.9105 -4.8406 -4.8406 -4.5040 -4.5040 -3.8657 -3.8657 -2.1753 -2.1753 -2.0279 -2.0279 -1.9143 -1.9143 -1.8868 -1.8868 -1.2340 -1.2340 -1.1716 -1.1716 -0.7658 -0.7658 -0.7032 -0.7032 6.4360 6.4360 6.5161 6.5161 7.2021 7.2021 7.3630 7.3630 k = 0.2235-0.3937-0.0000 ( 18392 PWs) bands (ev): -42.3181 -42.3181 -42.3121 -42.3121 -19.4257 -19.4257 -19.3566 -19.3566 -17.9450 -17.9450 -17.8758 -17.8758 -8.9222 -8.9222 -8.4793 -8.4793 -5.3251 -5.3251 -4.9956 -4.9956 -4.9029 -4.9029 -4.8424 -4.8424 -4.5028 -4.5028 -3.8677 -3.8677 -2.1675 -2.1675 -2.0373 -2.0373 -1.9290 -1.9290 -1.8778 -1.8778 -1.2259 -1.2259 -1.1681 -1.1681 -0.7489 -0.7489 -0.7148 -0.7148 6.4370 6.4370 6.4812 6.4812 7.1892 7.1892 7.2851 7.2851 k = 0.2152-0.3791-0.0000 ( 18390 PWs) bands (ev): -42.3190 -42.3190 -42.3112 -42.3112 -19.4280 -19.4280 -19.3548 -19.3548 -17.9434 -17.9434 -17.8766 -17.8766 -8.9269 -8.9269 -8.4730 -8.4730 -5.3249 -5.3249 -5.0042 -5.0042 -4.8953 -4.8953 -4.8435 -4.8435 -4.5016 -4.5016 -3.8696 -3.8696 -2.1591 -2.1591 -2.0470 -2.0470 -1.9435 -1.9435 -1.8690 -1.8690 -1.2176 -1.2176 -1.1656 -1.1656 -0.7320 -0.7320 -0.7264 -0.7264 6.4299 6.4299 6.4422 6.4422 7.1643 7.1643 7.2223 7.2223 k = 0.2069-0.3645-0.0000 ( 18404 PWs) bands (ev): -42.3199 -42.3199 -42.3103 -42.3103 -19.4303 -19.4303 -19.3530 -19.3530 -17.9419 -17.9419 -17.8775 -17.8775 -8.9316 -8.9316 -8.4670 -8.4670 -5.3247 -5.3247 -5.0121 -5.0121 -4.8881 -4.8881 -4.8437 -4.8437 -4.5005 -4.5005 -3.8716 -3.8716 -2.1499 -2.1499 -2.0570 -2.0570 -1.9576 -1.9576 -1.8604 -1.8604 -1.2091 -1.2091 -1.1638 -1.1638 -0.7384 -0.7384 -0.7147 -0.7147 6.3971 6.3971 6.4155 6.4155 7.1179 7.1179 7.1863 7.1863 k = 0.1986-0.3499-0.0000 ( 18398 PWs) bands (ev): -42.3208 -42.3208 -42.3094 -42.3094 -19.4326 -19.4326 -19.3513 -19.3513 -17.9403 -17.9403 -17.8783 -17.8783 -8.9364 -8.9364 -8.4611 -8.4611 -5.3245 -5.3245 -5.0193 -5.0193 -4.8821 -4.8821 -4.8422 -4.8422 -4.4993 -4.4993 -3.8737 -3.8737 -2.1401 -2.1401 -2.0672 -2.0672 -1.9715 -1.9715 -1.8519 -1.8519 -1.2004 -1.2004 -1.1628 -1.1628 -0.7502 -0.7502 -0.6976 -0.6976 6.3499 6.3499 6.3899 6.3899 7.0648 7.0648 7.1637 7.1637 k = 0.1904-0.3353-0.0000 ( 18398 PWs) bands (ev): -42.3217 -42.3217 -42.3086 -42.3086 -19.4348 -19.4348 -19.3496 -19.3496 -17.9388 -17.9388 -17.8791 -17.8791 -8.9413 -8.9413 -8.4554 -8.4554 -5.3243 -5.3243 -5.0258 -5.0258 -4.8778 -4.8778 -4.8383 -4.8383 -4.4982 -4.4982 -3.8757 -3.8757 -2.1296 -2.1296 -2.0775 -2.0775 -1.9850 -1.9850 -1.8435 -1.8435 -1.1917 -1.1917 -1.1626 -1.1626 -0.7619 -0.7619 -0.6805 -0.6805 6.2995 6.2995 6.3546 6.3546 7.0171 7.0171 7.1433 7.1433 k = 0.1821-0.3208-0.0000 ( 18402 PWs) bands (ev): -42.3226 -42.3226 -42.3077 -42.3077 -19.4370 -19.4370 -19.3479 -19.3479 -17.9373 -17.9373 -17.8799 -17.8799 -8.9461 -8.9461 -8.4499 -8.4499 -5.3241 -5.3241 -5.0315 -5.0315 -4.8755 -4.8755 -4.8319 -4.8319 -4.4971 -4.4971 -3.8776 -3.8776 -2.1185 -2.1185 -2.0879 -2.0879 -1.9982 -1.9982 -1.8352 -1.8352 -1.1830 -1.1830 -1.1632 -1.1632 -0.7737 -0.7737 -0.6634 -0.6634 6.2467 6.2467 6.3100 6.3100 6.9772 6.9772 7.1229 7.1229 k = 0.1738-0.3062-0.0000 ( 18396 PWs) bands (ev): -42.3234 -42.3234 -42.3069 -42.3069 -19.4392 -19.4392 -19.3463 -19.3463 -17.9359 -17.9359 -17.8806 -17.8806 -8.9510 -8.9510 -8.4446 -8.4446 -5.3240 -5.3240 -5.0366 -5.0366 -4.8748 -4.8748 -4.8234 -4.8234 -4.4960 -4.4960 -3.8796 -3.8796 -2.1071 -2.1071 -2.0981 -2.0981 -2.0112 -2.0112 -1.8271 -1.8271 -1.1746 -1.1746 -1.1641 -1.1641 -0.7854 -0.7854 -0.6464 -0.6464 6.1923 6.1923 6.2575 6.2575 6.9445 6.9445 7.1021 7.1021 k = 0.1655-0.2916-0.0000 ( 18398 PWs) bands (ev): -42.3242 -42.3242 -42.3060 -42.3060 -19.4413 -19.4413 -19.3447 -19.3447 -17.9345 -17.9345 -17.8814 -17.8814 -8.9558 -8.9558 -8.4396 -8.4396 -5.3239 -5.3239 -5.0410 -5.0410 -4.8752 -4.8752 -4.8135 -4.8135 -4.4950 -4.4950 -3.8815 -3.8815 -2.1092 -2.1092 -2.0941 -2.0941 -2.0239 -2.0239 -1.8191 -1.8191 -1.1698 -1.1698 -1.1623 -1.1623 -0.7970 -0.7970 -0.6296 -0.6296 6.1368 6.1368 6.1991 6.1991 6.9178 6.9178 7.0809 7.0809 k = 0.1572-0.2770-0.0000 ( 18392 PWs) bands (ev): -42.3250 -42.3250 -42.3053 -42.3053 -19.4433 -19.4433 -19.3432 -19.3432 -17.9331 -17.9331 -17.8821 -17.8821 -8.9605 -8.9605 -8.4348 -8.4348 -5.3239 -5.3239 -5.0448 -5.0448 -4.8762 -4.8762 -4.8025 -4.8025 -4.4940 -4.4940 -3.8835 -3.8835 -2.1194 -2.1194 -2.0816 -2.0816 -2.0363 -2.0363 -1.8112 -1.8112 -1.1715 -1.1715 -1.1548 -1.1548 -0.8085 -0.8085 -0.6130 -0.6130 6.0808 6.0808 6.1368 6.1368 6.8956 6.8956 7.0595 7.0595 k = 0.1490-0.2624-0.0000 ( 18394 PWs) bands (ev): -42.3258 -42.3258 -42.3045 -42.3045 -19.4453 -19.4453 -19.3417 -19.3417 -17.9318 -17.9318 -17.8828 -17.8828 -8.9652 -8.9652 -8.4302 -8.4302 -5.3239 -5.3239 -5.0480 -5.0480 -4.8775 -4.8775 -4.7910 -4.7910 -4.4931 -4.4931 -3.8853 -3.8853 -2.1295 -2.1295 -2.0686 -2.0686 -2.0483 -2.0483 -1.8034 -1.8034 -1.1751 -1.1751 -1.1463 -1.1463 -0.8198 -0.8198 -0.5966 -0.5966 6.0249 6.0249 6.0722 6.0722 6.8766 6.8766 7.0382 7.0382 k = 0.1407-0.2479-0.0000 ( 18390 PWs) bands (ev): -42.3265 -42.3265 -42.3038 -42.3038 -19.4472 -19.4472 -19.3403 -19.3403 -17.9305 -17.9305 -17.8835 -17.8835 -8.9698 -8.9698 -8.4259 -8.4259 -5.3239 -5.3239 -5.0506 -5.0506 -4.8789 -4.8789 -4.7791 -4.7791 -4.4923 -4.4923 -3.8871 -3.8871 -2.1394 -2.1394 -2.0611 -2.0611 -2.0543 -2.0543 -1.7958 -1.7958 -1.1795 -1.1795 -1.1378 -1.1378 -0.8309 -0.8309 -0.5806 -0.5806 5.9696 5.9696 6.0069 6.0069 6.8598 6.8598 7.0171 7.0171 k = 0.1324-0.2333-0.0000 ( 18388 PWs) bands (ev): -42.3272 -42.3272 -42.3030 -42.3030 -19.4490 -19.4490 -19.3390 -19.3390 -17.9293 -17.9293 -17.8842 -17.8842 -8.9742 -8.9742 -8.4219 -8.4219 -5.3240 -5.3240 -5.0527 -5.0527 -4.8804 -4.8804 -4.7670 -4.7670 -4.4915 -4.4915 -3.8888 -3.8888 -2.1490 -2.1490 -2.0722 -2.0722 -2.0412 -2.0412 -1.7883 -1.7883 -1.1847 -1.1847 -1.1295 -1.1295 -0.8417 -0.8417 -0.5649 -0.5649 5.9153 5.9153 5.9420 5.9420 6.8444 6.8444 6.9964 6.9964 k = 0.1241-0.2187-0.0000 ( 18392 PWs) bands (ev): -42.3279 -42.3279 -42.3024 -42.3024 -19.4507 -19.4507 -19.3377 -19.3377 -17.9281 -17.9281 -17.8848 -17.8848 -8.9786 -8.9786 -8.4181 -8.4181 -5.3242 -5.3242 -5.0544 -5.0544 -4.8819 -4.8819 -4.7548 -4.7548 -4.4908 -4.4908 -3.8905 -3.8905 -2.1582 -2.1582 -2.0835 -2.0835 -2.0273 -2.0273 -1.7811 -1.7811 -1.1905 -1.1905 -1.1214 -1.1214 -0.8522 -0.8522 -0.5497 -0.5497 5.8624 5.8624 5.8784 5.8784 6.8300 6.8300 6.9764 6.9764 k = 0.1159-0.2041-0.0000 ( 18392 PWs) bands (ev): -42.3285 -42.3285 -42.3017 -42.3017 -19.4524 -19.4524 -19.3365 -19.3365 -17.9270 -17.9270 -17.8854 -17.8854 -8.9827 -8.9827 -8.4145 -8.4145 -5.3244 -5.3244 -5.0556 -5.0556 -4.8833 -4.8833 -4.7427 -4.7427 -4.4902 -4.4902 -3.8921 -3.8921 -2.1669 -2.1669 -2.0944 -2.0944 -2.0134 -2.0134 -1.7740 -1.7740 -1.1969 -1.1969 -1.1136 -1.1136 -0.8624 -0.8624 -0.5349 -0.5349 5.8108 5.8108 5.8175 5.8175 6.8162 6.8162 6.9571 6.9571 k = 0.1076-0.1895-0.0000 ( 18392 PWs) bands (ev): -42.3291 -42.3291 -42.3011 -42.3011 -19.4539 -19.4539 -19.3353 -19.3353 -17.9260 -17.9260 -17.8860 -17.8860 -8.9867 -8.9867 -8.4112 -8.4112 -5.3246 -5.3246 -5.0565 -5.0565 -4.8847 -4.8847 -4.7308 -4.7308 -4.4896 -4.4896 -3.8936 -3.8936 -2.1751 -2.1751 -2.1051 -2.1051 -1.9995 -1.9995 -1.7672 -1.7672 -1.2037 -1.2037 -1.1061 -1.1061 -0.8721 -0.8721 -0.5208 -0.5208 5.7565 5.7565 5.7640 5.7640 6.8029 6.8029 6.9388 6.9388 k = 0.0993-0.1750-0.0000 ( 18381 PWs) bands (ev): -42.3297 -42.3297 -42.3006 -42.3006 -19.4554 -19.4554 -19.3342 -19.3342 -17.9250 -17.9250 -17.8865 -17.8865 -8.9904 -8.9904 -8.4082 -8.4082 -5.3249 -5.3249 -5.0570 -5.0570 -4.8861 -4.8861 -4.7192 -4.7192 -4.4892 -4.4892 -3.8950 -3.8950 -2.1828 -2.1828 -2.1153 -2.1153 -1.9857 -1.9857 -1.7607 -1.7607 -1.2108 -1.2108 -1.0990 -1.0990 -0.8813 -0.8813 -0.5073 -0.5073 5.7010 5.7010 5.7173 5.7173 6.7901 6.7901 6.9217 6.9217 k = 0.0910-0.1604-0.0000 ( 18379 PWs) bands (ev): -42.3302 -42.3302 -42.3000 -42.3000 -19.4568 -19.4568 -19.3332 -19.3332 -17.9241 -17.9241 -17.8870 -17.8870 -8.9939 -8.9939 -8.4054 -8.4054 -5.3251 -5.3251 -5.0573 -5.0573 -4.8873 -4.8873 -4.7080 -4.7080 -4.4888 -4.4888 -3.8964 -3.8964 -2.1899 -2.1899 -2.1252 -2.1252 -1.9722 -1.9722 -1.7545 -1.7545 -1.2183 -1.2183 -1.0923 -1.0923 -0.8900 -0.8900 -0.4945 -0.4945 5.6485 5.6485 5.6736 5.6736 6.7777 6.7777 6.9057 6.9057 k = 0.0828-0.1458-0.0000 ( 18385 PWs) bands (ev): -42.3307 -42.3307 -42.2996 -42.2996 -19.4580 -19.4580 -19.3323 -19.3323 -17.9233 -17.9233 -17.8875 -17.8875 -8.9972 -8.9972 -8.4028 -8.4028 -5.3254 -5.3254 -5.0574 -5.0574 -4.8885 -4.8885 -4.6974 -4.6974 -4.4884 -4.4884 -3.8976 -3.8976 -2.1964 -2.1964 -2.1345 -2.1345 -1.9590 -1.9590 -1.7486 -1.7486 -1.2258 -1.2258 -1.0861 -1.0861 -0.8982 -0.8982 -0.4826 -0.4826 5.5997 5.5997 5.6331 5.6331 6.7659 6.7659 6.8910 6.8910 k = 0.0745-0.1312-0.0000 ( 18379 PWs) bands (ev): -42.3311 -42.3311 -42.2991 -42.2991 -19.4592 -19.4592 -19.3315 -19.3315 -17.9225 -17.9225 -17.8879 -17.8879 -9.0003 -9.0003 -8.4006 -8.4006 -5.3257 -5.3257 -5.0572 -5.0572 -4.8895 -4.8895 -4.6874 -4.6874 -4.4881 -4.4881 -3.8987 -3.8987 -2.2023 -2.2023 -2.1432 -2.1432 -1.9464 -1.9464 -1.7432 -1.7432 -1.2333 -1.2333 -1.0804 -1.0804 -0.9057 -0.9057 -0.4715 -0.4715 5.5549 5.5549 5.5958 5.5958 6.7546 6.7546 6.8776 6.8776 k = 0.0662-0.1166-0.0000 ( 18379 PWs) bands (ev): -42.3315 -42.3315 -42.2987 -42.2987 -19.4602 -19.4602 -19.3307 -19.3307 -17.9218 -17.9218 -17.8883 -17.8883 -9.0030 -9.0030 -8.3985 -8.3985 -5.3260 -5.3260 -5.0570 -5.0570 -4.8905 -4.8905 -4.6781 -4.6781 -4.4879 -4.4879 -3.8997 -3.8997 -2.2075 -2.2075 -2.1513 -2.1513 -1.9345 -1.9345 -1.7382 -1.7382 -1.2406 -1.2406 -1.0752 -1.0752 -0.9126 -0.9126 -0.4614 -0.4614 5.5143 5.5143 5.5619 5.5619 6.7441 6.7441 6.8656 6.8656 k = 0.0579-0.1021-0.0000 ( 18379 PWs) bands (ev): -42.3319 -42.3319 -42.2984 -42.2984 -19.4611 -19.4611 -19.3301 -19.3301 -17.9212 -17.9212 -17.8886 -17.8886 -9.0055 -9.0055 -8.3967 -8.3967 -5.3262 -5.3262 -5.0566 -5.0566 -4.8913 -4.8913 -4.6697 -4.6697 -4.4877 -4.4877 -3.9006 -3.9006 -2.2121 -2.2121 -2.1587 -2.1587 -1.9234 -1.9234 -1.7337 -1.7337 -1.2476 -1.2476 -1.0706 -1.0706 -0.9188 -0.9188 -0.4523 -0.4523 5.4780 5.4780 5.5316 5.5316 6.7344 6.7344 6.8550 6.8550 k = 0.0497-0.0875-0.0000 ( 18367 PWs) bands (ev): -42.3322 -42.3322 -42.2980 -42.2980 -19.4619 -19.4619 -19.3295 -19.3295 -17.9207 -17.9207 -17.8889 -17.8889 -9.0076 -9.0076 -8.3952 -8.3952 -5.3265 -5.3265 -5.0562 -5.0562 -4.8921 -4.8921 -4.6622 -4.6622 -4.4876 -4.4876 -3.9014 -3.9014 -2.2159 -2.2159 -2.1654 -2.1654 -1.9134 -1.9134 -1.7297 -1.7297 -1.2541 -1.2541 -1.0665 -1.0665 -0.9242 -0.9242 -0.4442 -0.4442 5.4463 5.4463 5.5051 5.5051 6.7258 6.7258 6.8459 6.8459 k = 0.0414-0.0729-0.0000 ( 18373 PWs) bands (ev): -42.3324 -42.3324 -42.2978 -42.2978 -19.4626 -19.4626 -19.3290 -19.3290 -17.9202 -17.9202 -17.8892 -17.8892 -9.0095 -9.0095 -8.3939 -8.3939 -5.3267 -5.3267 -5.0558 -5.0558 -4.8927 -4.8927 -4.6558 -4.6558 -4.4875 -4.4875 -3.9021 -3.9021 -2.2192 -2.2192 -2.1712 -2.1712 -1.9045 -1.9045 -1.7263 -1.7263 -1.2600 -1.2600 -1.0631 -1.0631 -0.9289 -0.9289 -0.4373 -0.4373 5.4193 5.4193 5.4824 5.4824 6.7182 6.7182 6.8381 6.8381 k = 0.0331-0.0583-0.0000 ( 18375 PWs) bands (ev): -42.3327 -42.3327 -42.2976 -42.2976 -19.4632 -19.4632 -19.3286 -19.3286 -17.9199 -17.9199 -17.8894 -17.8894 -9.0110 -9.0110 -8.3928 -8.3928 -5.3269 -5.3269 -5.0555 -5.0555 -4.8932 -4.8932 -4.6504 -4.6504 -4.4874 -4.4874 -3.9026 -3.9026 -2.2217 -2.2217 -2.1761 -2.1761 -1.8969 -1.8969 -1.7234 -1.7234 -1.2651 -1.2651 -1.0602 -1.0602 -0.9327 -0.9327 -0.4316 -0.4316 5.3970 5.3970 5.4638 5.4638 6.7118 6.7118 6.8318 6.8318 k = 0.0248-0.0437-0.0000 ( 18377 PWs) bands (ev): -42.3328 -42.3328 -42.2974 -42.2974 -19.4636 -19.4636 -19.3283 -19.3283 -17.9196 -17.9196 -17.8895 -17.8895 -9.0122 -9.0122 -8.3920 -8.3920 -5.3270 -5.3270 -5.0552 -5.0552 -4.8936 -4.8936 -4.6461 -4.6461 -4.4874 -4.4874 -3.9031 -3.9031 -2.2237 -2.2237 -2.1800 -2.1800 -1.8909 -1.8909 -1.7212 -1.7212 -1.2692 -1.2692 -1.0580 -1.0580 -0.9357 -0.9357 -0.4271 -0.4271 5.3796 5.3796 5.4491 5.4491 6.7068 6.7068 6.8268 6.8268 k = 0.0166-0.0292-0.0000 ( 18375 PWs) bands (ev): -42.3330 -42.3330 -42.2973 -42.2973 -19.4639 -19.4639 -19.3280 -19.3280 -17.9194 -17.9194 -17.8896 -17.8896 -9.0131 -9.0131 -8.3914 -8.3914 -5.3271 -5.3271 -5.0549 -5.0549 -4.8939 -4.8939 -4.6430 -4.6430 -4.4873 -4.4873 -3.9034 -3.9034 -2.2251 -2.2251 -2.1829 -2.1829 -1.8865 -1.8865 -1.7196 -1.7196 -1.2722 -1.2722 -1.0564 -1.0564 -0.9379 -0.9379 -0.4239 -0.4239 5.3671 5.3671 5.4386 5.4386 6.7031 6.7031 6.8233 6.8233 k = 0.0083-0.0146-0.0000 ( 18373 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4641 -19.4641 -19.3279 -19.3279 -17.9192 -17.9192 -17.8897 -17.8897 -9.0136 -9.0136 -8.3910 -8.3910 -5.3272 -5.3272 -5.0548 -5.0548 -4.8941 -4.8941 -4.6412 -4.6412 -4.4873 -4.4873 -3.9036 -3.9036 -2.2259 -2.2259 -2.1846 -2.1846 -1.8838 -1.8838 -1.7186 -1.7186 -1.2741 -1.2741 -1.0554 -1.0554 -0.9392 -0.9392 -0.4219 -0.4219 5.3596 5.3596 5.4323 5.4323 6.7009 6.7009 6.8212 6.8212 k = 0.0000 0.0000 0.0000 ( 18365 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4642 -19.4642 -19.3279 -19.3279 -17.9192 -17.9192 -17.8897 -17.8897 -9.0137 -9.0137 -8.3909 -8.3909 -5.3272 -5.3272 -5.0547 -5.0547 -4.8941 -4.8941 -4.6405 -4.6405 -4.4873 -4.4873 -3.9036 -3.9036 -2.2261 -2.2261 -2.1852 -2.1852 -1.8829 -1.8829 -1.7183 -1.7183 -1.2747 -1.2747 -1.0551 -1.0551 -0.9397 -0.9397 -0.4213 -0.4213 5.3571 5.3571 5.4302 5.4302 6.7002 6.7002 6.8205 6.8205 k = 0.0000 0.0000 0.0000 ( 18365 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4642 -19.4642 -19.3279 -19.3279 -17.9192 -17.9192 -17.8897 -17.8897 -9.0137 -9.0137 -8.3909 -8.3909 -5.3272 -5.3272 -5.0547 -5.0547 -4.8941 -4.8941 -4.6405 -4.6405 -4.4873 -4.4873 -3.9036 -3.9036 -2.2261 -2.2261 -2.1852 -2.1852 -1.8829 -1.8829 -1.7183 -1.7183 -1.2747 -1.2747 -1.0551 -1.0551 -0.9397 -0.9397 -0.4213 -0.4213 5.3571 5.3571 5.4302 5.4302 6.7002 6.7002 6.8205 6.8205 k = 0.0143-0.0085-0.0027 ( 18375 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4641 -19.4641 -19.3279 -19.3279 -17.9192 -17.9192 -17.8898 -17.8898 -9.0135 -9.0135 -8.3912 -8.3912 -5.3270 -5.3270 -5.0549 -5.0549 -4.8939 -4.8939 -4.6409 -4.6409 -4.4872 -4.4872 -3.9039 -3.9039 -2.2258 -2.2258 -2.1849 -2.1849 -1.8834 -1.8834 -1.7187 -1.7187 -1.2742 -1.2742 -1.0554 -1.0554 -0.9394 -0.9394 -0.4217 -0.4217 5.3591 5.3591 5.4322 5.4322 6.7005 6.7005 6.8208 6.8208 k = 0.0286-0.0171-0.0054 ( 18374 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4639 -19.4639 -19.3281 -19.3281 -17.9192 -17.9192 -17.8899 -17.8899 -9.0127 -9.0127 -8.3922 -8.3922 -5.3263 -5.3263 -5.0555 -5.0555 -4.8931 -4.8931 -4.6421 -4.6421 -4.4867 -4.4867 -3.9047 -3.9047 -2.2249 -2.2249 -2.1839 -2.1839 -1.8850 -1.8850 -1.7198 -1.7198 -1.2728 -1.2728 -1.0564 -1.0564 -0.9388 -0.9388 -0.4230 -0.4230 5.3652 5.3652 5.4380 5.4380 6.7015 6.7015 6.8219 6.8219 k = 0.0429-0.0256-0.0081 ( 18370 PWs) bands (ev): -42.3329 -42.3329 -42.2973 -42.2973 -19.4635 -19.4635 -19.3284 -19.3284 -17.9192 -17.9192 -17.8900 -17.8900 -9.0114 -9.0114 -8.3938 -8.3938 -5.3252 -5.3252 -5.0564 -5.0564 -4.8918 -4.8918 -4.6441 -4.6441 -4.4860 -4.4860 -3.9060 -3.9060 -2.2235 -2.2235 -2.1823 -2.1823 -1.8875 -1.8875 -1.7217 -1.7217 -1.2706 -1.2706 -1.0579 -1.0579 -0.9378 -0.9378 -0.4252 -0.4252 5.3753 5.3753 5.4477 5.4477 6.7032 6.7032 6.8236 6.8236 k = 0.0571-0.0341-0.0108 ( 18375 PWs) bands (ev): -42.3328 -42.3328 -42.2975 -42.2975 -19.4630 -19.4630 -19.3288 -19.3288 -17.9192 -17.9192 -17.8902 -17.8902 -9.0095 -9.0095 -8.3961 -8.3961 -5.3237 -5.3237 -5.0577 -5.0577 -4.8901 -4.8901 -4.6468 -4.6468 -4.4849 -4.4849 -3.9079 -3.9079 -2.2215 -2.2215 -2.1801 -2.1801 -1.8909 -1.8909 -1.7243 -1.7243 -1.2675 -1.2675 -1.0601 -1.0601 -0.9363 -0.9363 -0.4283 -0.4283 5.3894 5.3894 5.4612 5.4612 6.7054 6.7054 6.8262 6.8262 k = 0.0714-0.0426-0.0135 ( 18371 PWs) bands (ev): -42.3326 -42.3326 -42.2976 -42.2976 -19.4623 -19.4623 -19.3293 -19.3293 -17.9192 -17.9192 -17.8904 -17.8904 -9.0072 -9.0072 -8.3990 -8.3990 -5.3217 -5.3217 -5.0594 -5.0594 -4.8879 -4.8879 -4.6504 -4.6504 -4.4835 -4.4835 -3.9103 -3.9103 -2.2191 -2.2191 -2.1772 -2.1772 -1.8950 -1.8950 -1.7277 -1.7277 -1.2637 -1.2637 -1.0629 -1.0629 -0.9345 -0.9345 -0.4322 -0.4322 5.4074 5.4074 5.4786 5.4786 6.7080 6.7080 6.8296 6.8296 k = 0.0857-0.0512-0.0163 ( 18375 PWs) bands (ev): -42.3324 -42.3324 -42.2978 -42.2978 -19.4614 -19.4614 -19.3299 -19.3299 -17.9192 -17.9192 -17.8907 -17.8907 -9.0043 -9.0043 -8.4025 -8.4025 -5.3194 -5.3194 -5.0614 -5.0614 -4.8852 -4.8852 -4.6547 -4.6547 -4.4818 -4.4818 -3.9132 -3.9132 -2.2163 -2.2163 -2.1737 -2.1737 -1.8995 -1.8995 -1.7318 -1.7318 -1.2593 -1.2593 -1.0664 -1.0664 -0.9322 -0.9322 -0.4369 -0.4369 5.4294 5.4294 5.4997 5.4997 6.7111 6.7111 6.8339 6.8339 k = 0.1000-0.0597-0.0190 ( 18371 PWs) bands (ev): -42.3322 -42.3322 -42.2981 -42.2981 -19.4604 -19.4604 -19.3306 -19.3306 -17.9192 -17.9192 -17.8911 -17.8911 -9.0009 -9.0009 -8.4066 -8.4066 -5.3166 -5.3166 -5.0636 -5.0636 -4.8821 -4.8821 -4.6597 -4.6597 -4.4797 -4.4797 -3.9166 -3.9166 -2.2134 -2.2134 -2.1696 -2.1696 -1.9044 -1.9044 -1.7366 -1.7366 -1.2544 -1.2544 -1.0704 -1.0704 -0.9296 -0.9296 -0.4423 -0.4423 5.4551 5.4551 5.5246 5.5246 6.7145 6.7145 6.8393 6.8393 k = 0.1143-0.0682-0.0217 ( 18370 PWs) bands (ev): -42.3319 -42.3319 -42.2983 -42.2983 -19.4593 -19.4593 -19.3315 -19.3315 -17.9191 -17.9191 -17.8914 -17.8914 -8.9971 -8.9971 -8.4113 -8.4113 -5.3134 -5.3134 -5.0662 -5.0662 -4.8786 -4.8786 -4.6655 -4.6655 -4.4771 -4.4771 -3.9206 -3.9206 -2.2103 -2.2103 -2.1648 -2.1648 -1.9093 -1.9093 -1.7420 -1.7420 -1.2493 -1.2493 -1.0749 -1.0749 -0.9267 -0.9267 -0.4485 -0.4485 5.4847 5.4847 5.5531 5.5531 6.7181 6.7181 6.8457 6.8457 k = 0.1286-0.0768-0.0244 ( 18366 PWs) bands (ev): -42.3316 -42.3316 -42.2986 -42.2986 -19.4580 -19.4580 -19.3324 -19.3324 -17.9191 -17.9191 -17.8919 -17.8919 -8.9927 -8.9927 -8.4166 -8.4166 -5.3099 -5.3099 -5.0689 -5.0689 -4.8748 -4.8748 -4.6720 -4.6720 -4.4742 -4.4742 -3.9252 -3.9252 -2.2073 -2.2073 -2.1594 -2.1594 -1.9141 -1.9141 -1.7479 -1.7479 -1.2439 -1.2439 -1.0800 -1.0800 -0.9234 -0.9234 -0.4553 -0.4553 5.5178 5.5178 5.5852 5.5852 6.7218 6.7218 6.8532 6.8532 k = 0.1429-0.0853-0.0271 ( 18367 PWs) bands (ev): -42.3313 -42.3313 -42.2990 -42.2990 -19.4566 -19.4566 -19.3335 -19.3335 -17.9191 -17.9191 -17.8924 -17.8924 -8.9879 -8.9879 -8.4224 -8.4224 -5.3061 -5.3061 -5.0719 -5.0719 -4.8707 -4.8707 -4.6792 -4.6792 -4.4707 -4.4707 -3.9302 -3.9302 -2.2045 -2.2045 -2.1534 -2.1534 -1.9186 -1.9186 -1.7544 -1.7544 -1.2385 -1.2385 -1.0855 -1.0855 -0.9199 -0.9199 -0.4628 -0.4628 5.5544 5.5544 5.6207 5.6207 6.7257 6.7257 6.8617 6.8617 k = 0.1571-0.0938-0.0298 ( 18376 PWs) bands (ev): -42.3309 -42.3309 -42.2993 -42.2993 -19.4551 -19.4551 -19.3347 -19.3347 -17.9190 -17.9190 -17.8929 -17.8929 -8.9826 -8.9826 -8.4288 -8.4288 -5.3019 -5.3019 -5.0750 -5.0750 -4.8663 -4.8663 -4.6870 -4.6870 -4.4668 -4.4668 -3.9358 -3.9358 -2.2021 -2.2021 -2.1468 -2.1468 -1.9224 -1.9224 -1.7612 -1.7612 -1.2333 -1.2333 -1.0915 -1.0915 -0.9161 -0.9161 -0.4708 -0.4708 5.5944 5.5944 5.6597 5.6597 6.7297 6.7297 6.8713 6.8713 k = 0.1714-0.1023-0.0325 ( 18379 PWs) bands (ev): -42.3305 -42.3305 -42.2997 -42.2997 -19.4534 -19.4534 -19.3360 -19.3360 -17.9189 -17.9189 -17.8935 -17.8935 -8.9769 -8.9769 -8.4356 -8.4356 -5.2975 -5.2975 -5.0782 -5.0782 -4.8618 -4.8618 -4.6953 -4.6953 -4.4624 -4.4624 -3.9419 -3.9419 -2.2001 -2.2001 -2.1398 -2.1398 -1.9255 -1.9255 -1.7683 -1.7683 -1.2283 -1.2283 -1.0979 -1.0979 -0.9120 -0.9120 -0.4792 -0.4792 5.6376 5.6376 5.7021 5.7021 6.7339 6.7339 6.8820 6.8820 k = 0.1857-0.1109-0.0352 ( 18379 PWs) bands (ev): -42.3301 -42.3301 -42.3001 -42.3001 -19.4516 -19.4516 -19.3374 -19.3374 -17.9189 -17.9189 -17.8941 -17.8941 -8.9707 -8.9707 -8.4430 -8.4430 -5.2928 -5.2928 -5.0815 -5.0815 -4.8571 -4.8571 -4.7041 -4.7041 -4.4575 -4.4575 -3.9486 -3.9486 -2.1987 -2.1987 -2.1324 -2.1324 -1.9276 -1.9276 -1.7756 -1.7756 -1.2237 -1.2237 -1.1047 -1.1047 -0.9078 -0.9078 -0.4881 -0.4881 5.6836 5.6836 5.7477 5.7477 6.7382 6.7382 6.8935 6.8935 k = 0.2000-0.1194-0.0379 ( 18374 PWs) bands (ev): -42.3296 -42.3296 -42.3006 -42.3006 -19.4497 -19.4497 -19.3389 -19.3389 -17.9188 -17.9188 -17.8947 -17.8947 -8.9641 -8.9641 -8.4508 -8.4508 -5.2878 -5.2878 -5.0849 -5.0849 -4.8524 -4.8524 -4.7133 -4.7133 -4.4521 -4.4521 -3.9558 -3.9558 -2.1978 -2.1978 -2.1248 -2.1248 -1.9287 -1.9287 -1.7829 -1.7829 -1.2195 -1.2195 -1.1117 -1.1117 -0.9034 -0.9034 -0.4974 -0.4974 5.7324 5.7324 5.7964 5.7964 6.7426 6.7426 6.9059 6.9059 k = 0.2143-0.1279-0.0406 ( 18381 PWs) bands (ev): -42.3291 -42.3291 -42.3011 -42.3011 -19.4476 -19.4476 -19.3405 -19.3405 -17.9187 -17.9187 -17.8954 -17.8954 -8.9572 -8.9572 -8.4590 -8.4590 -5.2826 -5.2826 -5.0883 -5.0883 -4.8478 -4.8478 -4.7228 -4.7228 -4.4461 -4.4461 -3.9635 -3.9635 -2.1976 -2.1976 -2.1171 -2.1171 -1.9286 -1.9286 -1.7901 -1.7901 -1.2161 -1.2161 -1.1189 -1.1189 -0.8988 -0.8988 -0.5069 -0.5069 5.7834 5.7834 5.8483 5.8483 6.7473 6.7473 6.9190 6.9190 k = 0.2286-0.1365-0.0434 ( 18384 PWs) bands (ev): -42.3286 -42.3286 -42.3016 -42.3016 -19.4455 -19.4455 -19.3422 -19.3422 -17.9186 -17.9186 -17.8961 -17.8961 -8.9498 -8.9498 -8.4675 -8.4675 -5.2772 -5.2772 -5.0917 -5.0917 -4.8432 -4.8432 -4.7326 -4.7326 -4.4395 -4.4395 -3.9718 -3.9718 -2.1980 -2.1980 -2.1096 -2.1096 -1.9273 -1.9273 -1.7969 -1.7969 -1.2133 -1.2133 -1.1262 -1.1262 -0.8942 -0.8942 -0.5166 -0.5166 5.8365 5.8365 5.9032 5.9032 6.7522 6.7522 6.9328 6.9328 k = 0.2429-0.1450-0.0461 ( 18387 PWs) bands (ev): -42.3281 -42.3281 -42.3022 -42.3022 -19.4433 -19.4433 -19.3440 -19.3440 -17.9184 -17.9184 -17.8968 -17.8968 -8.9422 -8.9422 -8.4765 -8.4765 -5.2717 -5.2717 -5.0951 -5.0951 -4.8389 -4.8389 -4.7424 -4.7424 -4.4324 -4.4324 -3.9805 -3.9805 -2.1990 -2.1990 -2.1023 -2.1023 -1.9247 -1.9247 -1.8033 -1.8033 -1.2114 -1.2114 -1.1335 -1.1335 -0.8895 -0.8895 -0.5264 -0.5264 5.8910 5.8910 5.9609 5.9609 6.7573 6.7573 6.9473 6.9473 k = 0.2571-0.1535-0.0488 ( 18387 PWs) bands (ev): -42.3275 -42.3275 -42.3027 -42.3027 -19.4409 -19.4409 -19.3459 -19.3459 -17.9183 -17.9183 -17.8976 -17.8976 -8.9342 -8.9342 -8.4857 -8.4857 -5.2660 -5.2660 -5.0984 -5.0984 -4.8349 -4.8349 -4.7521 -4.7521 -4.4246 -4.4246 -3.9898 -3.9898 -2.2004 -2.2004 -2.0956 -2.0956 -1.9210 -1.9210 -1.8090 -1.8090 -1.2105 -1.2105 -1.1406 -1.1406 -0.8847 -0.8847 -0.5363 -0.5363 5.9467 5.9467 6.0214 6.0214 6.7627 6.7627 6.9624 6.9624 k = 0.2714-0.1620-0.0515 ( 18390 PWs) bands (ev): -42.3269 -42.3269 -42.3033 -42.3033 -19.4385 -19.4385 -19.3478 -19.3478 -17.9181 -17.9181 -17.8983 -17.8983 -8.9259 -8.9259 -8.4952 -8.4952 -5.2602 -5.2602 -5.1018 -5.1018 -4.8315 -4.8315 -4.7616 -4.7616 -4.4162 -4.4162 -3.9996 -3.9996 -2.2022 -2.2022 -2.0897 -2.0897 -1.9162 -1.9162 -1.8140 -1.8140 -1.2106 -1.2106 -1.1474 -1.1474 -0.8800 -0.8800 -0.5461 -0.5461 6.0031 6.0031 6.0845 6.0845 6.7681 6.7681 6.9780 6.9780 k = 0.2857-0.1706-0.0542 ( 18386 PWs) bands (ev): -42.3263 -42.3263 -42.3039 -42.3039 -19.4359 -19.4359 -19.3499 -19.3499 -17.9179 -17.9179 -17.8991 -17.8991 -8.9174 -8.9174 -8.5049 -8.5049 -5.2542 -5.2542 -5.1051 -5.1051 -4.8288 -4.8288 -4.7704 -4.7704 -4.4073 -4.4073 -4.0098 -4.0098 -2.2043 -2.2043 -2.0847 -2.0847 -1.9104 -1.9104 -1.8180 -1.8180 -1.2119 -1.2119 -1.1538 -1.1538 -0.8754 -0.8754 -0.5558 -0.5558 6.0597 6.0597 6.1498 6.1498 6.7738 6.7738 6.9943 6.9943 k = 0.3000-0.1791-0.0569 ( 18396 PWs) bands (ev): -42.3257 -42.3257 -42.3046 -42.3046 -19.4333 -19.4333 -19.3521 -19.3521 -17.9176 -17.9176 -17.8999 -17.8999 -8.9086 -8.9086 -8.5149 -8.5149 -5.2482 -5.2482 -5.1084 -5.1084 -4.8272 -4.8272 -4.7784 -4.7784 -4.3977 -4.3977 -4.0206 -4.0206 -2.2065 -2.2065 -2.0807 -2.0807 -1.9037 -1.9037 -1.8209 -1.8209 -1.2144 -1.2144 -1.1596 -1.1596 -0.8709 -0.8709 -0.5653 -0.5653 6.1160 6.1160 6.2169 6.2169 6.7795 6.7795 7.0111 7.0111 k = 0.3143-0.1876-0.0596 ( 18401 PWs) bands (ev): -42.3250 -42.3250 -42.3053 -42.3053 -19.4307 -19.4307 -19.3543 -19.3543 -17.9174 -17.9174 -17.9007 -17.9007 -8.8997 -8.8997 -8.5249 -8.5249 -5.2421 -5.2421 -5.1116 -5.1116 -4.8272 -4.8272 -4.7847 -4.7847 -4.3875 -4.3875 -4.0318 -4.0318 -2.2089 -2.2089 -2.0780 -2.0780 -1.8962 -1.8962 -1.8228 -1.8228 -1.2180 -1.2180 -1.1648 -1.1648 -0.8665 -0.8665 -0.5745 -0.5745 6.1717 6.1717 6.2854 6.2854 6.7852 6.7852 7.0286 7.0286 k = 0.3286-0.1962-0.0623 ( 18399 PWs) bands (ev): -42.3243 -42.3243 -42.3059 -42.3059 -19.4279 -19.4279 -19.3567 -19.3567 -17.9171 -17.9171 -17.9016 -17.9016 -8.8907 -8.8907 -8.5350 -8.5350 -5.2359 -5.2359 -5.1149 -5.1149 -4.8293 -4.8293 -4.7890 -4.7890 -4.3768 -4.3768 -4.0434 -4.0434 -2.2111 -2.2111 -2.0764 -2.0764 -1.8881 -1.8881 -1.8235 -1.8235 -1.2227 -1.2227 -1.1693 -1.1693 -0.8623 -0.8623 -0.5833 -0.5833 6.2261 6.2261 6.3546 6.3546 6.7910 6.7910 7.0466 7.0466 k = 0.3429-0.2047-0.0650 ( 18400 PWs) bands (ev): -42.3236 -42.3236 -42.3066 -42.3066 -19.4251 -19.4251 -19.3591 -19.3591 -17.9167 -17.9167 -17.9024 -17.9024 -8.8816 -8.8816 -8.5451 -8.5451 -5.2297 -5.2297 -5.1182 -5.1182 -4.8335 -4.8335 -4.7912 -4.7912 -4.3655 -4.3655 -4.0554 -4.0554 -2.2133 -2.2133 -2.0760 -2.0760 -1.8797 -1.8797 -1.8233 -1.8233 -1.2282 -1.2282 -1.1733 -1.1733 -0.8584 -0.8584 -0.5917 -0.5917 6.2789 6.2789 6.4235 6.4235 6.7971 6.7971 7.0651 7.0651 k = 0.3571-0.2132-0.0677 ( 18392 PWs) bands (ev): -42.3229 -42.3229 -42.3074 -42.3074 -19.4223 -19.4223 -19.3615 -19.3615 -17.9164 -17.9164 -17.9032 -17.9032 -8.8726 -8.8726 -8.5551 -8.5551 -5.2235 -5.2235 -5.1216 -5.1216 -4.8391 -4.8391 -4.7917 -4.7917 -4.3536 -4.3536 -4.0679 -4.0679 -2.2153 -2.2153 -2.0766 -2.0766 -1.8709 -1.8709 -1.8221 -1.8221 -1.2341 -1.2341 -1.1769 -1.1769 -0.8547 -0.8547 -0.5996 -0.5996 6.3296 6.3296 6.4908 6.4908 6.8038 6.8038 7.0840 7.0840 k = 0.3714-0.2217-0.0705 ( 18388 PWs) bands (ev): -42.3222 -42.3222 -42.3081 -42.3081 -19.4194 -19.4194 -19.3641 -19.3641 -17.9160 -17.9160 -17.9040 -17.9040 -8.8636 -8.8636 -8.5649 -8.5649 -5.2173 -5.2173 -5.1250 -5.1250 -4.8455 -4.8455 -4.7914 -4.7914 -4.3413 -4.3413 -4.0806 -4.0806 -2.2171 -2.2171 -2.0781 -2.0781 -1.8621 -1.8621 -1.8203 -1.8203 -1.2404 -1.2404 -1.1802 -1.1802 -0.8513 -0.8513 -0.6070 -0.6070 6.3777 6.3777 6.5547 6.5547 6.8122 6.8122 7.1029 7.1029 k = 0.3857-0.2303-0.0732 ( 18389 PWs) bands (ev): -42.3214 -42.3214 -42.3088 -42.3088 -19.4165 -19.4165 -19.3666 -19.3666 -17.9156 -17.9156 -17.9049 -17.9049 -8.8549 -8.8549 -8.5745 -8.5745 -5.2111 -5.2111 -5.1285 -5.1285 -4.8519 -4.8519 -4.7906 -4.7906 -4.3286 -4.3286 -4.0937 -4.0937 -2.2186 -2.2186 -2.0802 -2.0802 -1.8535 -1.8535 -1.8180 -1.8180 -1.2466 -1.2466 -1.1832 -1.1832 -0.8482 -0.8482 -0.6137 -0.6137 6.4230 6.4230 6.6120 6.6120 6.8242 6.8242 7.1216 7.1216 k = 0.4000-0.2388-0.0759 ( 18392 PWs) bands (ev): -42.3207 -42.3207 -42.3096 -42.3096 -19.4136 -19.4136 -19.3692 -19.3692 -17.9152 -17.9152 -17.9057 -17.9057 -8.8465 -8.8465 -8.5836 -8.5836 -5.2049 -5.2049 -5.1322 -5.1322 -4.8580 -4.8580 -4.7896 -4.7896 -4.3155 -4.3155 -4.1071 -4.1071 -2.2199 -2.2199 -2.0828 -2.0828 -1.8453 -1.8453 -1.8153 -1.8153 -1.2526 -1.2526 -1.1859 -1.1859 -0.8455 -0.8455 -0.6197 -0.6197 6.4651 6.4651 6.6584 6.6584 6.8432 6.8432 7.1394 7.1394 k = 0.4143-0.2473-0.0786 ( 18389 PWs) bands (ev): -42.3199 -42.3199 -42.3104 -42.3104 -19.4108 -19.4108 -19.3719 -19.3719 -17.9147 -17.9147 -17.9065 -17.9065 -8.8385 -8.8385 -8.5922 -8.5922 -5.1988 -5.1988 -5.1361 -5.1361 -4.8637 -4.8637 -4.7887 -4.7887 -4.3022 -4.3022 -4.1206 -4.1206 -2.2210 -2.2210 -2.0855 -2.0855 -1.8376 -1.8376 -1.8126 -1.8126 -1.2582 -1.2582 -1.1884 -1.1884 -0.8431 -0.8431 -0.6251 -0.6251 6.5039 6.5039 6.6895 6.6895 6.8718 6.8718 7.1557 7.1557 k = 0.4286-0.2559-0.0813 ( 18384 PWs) bands (ev): -42.3191 -42.3191 -42.3111 -42.3111 -19.4079 -19.4079 -19.3745 -19.3745 -17.9142 -17.9142 -17.9072 -17.9072 -8.8312 -8.8312 -8.6000 -8.6000 -5.1928 -5.1928 -5.1402 -5.1402 -4.8687 -4.8687 -4.7879 -4.7879 -4.2886 -4.2886 -4.1343 -4.1343 -2.2218 -2.2218 -2.0883 -2.0883 -1.8306 -1.8306 -1.8100 -1.8100 -1.2633 -1.2633 -1.1907 -1.1907 -0.8410 -0.8410 -0.6296 -0.6296 6.5392 6.5392 6.7057 6.7057 6.9085 6.9085 7.1700 7.1700 k = 0.4429-0.2644-0.0840 ( 18382 PWs) bands (ev): -42.3183 -42.3183 -42.3119 -42.3119 -19.4052 -19.4052 -19.3771 -19.3771 -17.9137 -17.9137 -17.9080 -17.9080 -8.8248 -8.8248 -8.6069 -8.6069 -5.1868 -5.1868 -5.1444 -5.1444 -4.8729 -4.8729 -4.7871 -4.7871 -4.2751 -4.2751 -4.1479 -4.1479 -2.2223 -2.2223 -2.0908 -2.0908 -1.8245 -1.8245 -1.8078 -1.8078 -1.2676 -1.2676 -1.1926 -1.1926 -0.8394 -0.8394 -0.6334 -0.6334 6.5710 6.5710 6.7110 6.7110 6.9475 6.9475 7.1816 7.1816 k = 0.4571-0.2729-0.0867 ( 18387 PWs) bands (ev): -42.3175 -42.3175 -42.3127 -42.3127 -19.4026 -19.4026 -19.3795 -19.3795 -17.9132 -17.9132 -17.9087 -17.9087 -8.8194 -8.8194 -8.6126 -8.6126 -5.1810 -5.1810 -5.1489 -5.1489 -4.8763 -4.8763 -4.7866 -4.7866 -4.2618 -4.2618 -4.1612 -4.1612 -2.2227 -2.2227 -2.0930 -2.0930 -1.8195 -1.8195 -1.8060 -1.8060 -1.2711 -1.2711 -1.1941 -1.1941 -0.8381 -0.8381 -0.6363 -0.6363 6.5990 6.5990 6.7091 6.7091 6.9835 6.9835 7.1902 7.1902 k = 0.4714-0.2814-0.0894 ( 18381 PWs) bands (ev): -42.3167 -42.3167 -42.3135 -42.3135 -19.4003 -19.4003 -19.3817 -19.3817 -17.9126 -17.9126 -17.9093 -17.9093 -8.8154 -8.8154 -8.6169 -8.6169 -5.1754 -5.1754 -5.1535 -5.1535 -4.8787 -4.8787 -4.7862 -4.7862 -4.2494 -4.2494 -4.1737 -4.1737 -2.2230 -2.2230 -2.0947 -2.0947 -1.8157 -1.8157 -1.8047 -1.8047 -1.2737 -1.2737 -1.1953 -1.1953 -0.8372 -0.8372 -0.6384 -0.6384 6.6230 6.6230 6.7027 6.7027 7.0124 7.0124 7.1957 7.1957 k = 0.4857-0.2900-0.0921 ( 18379 PWs) bands (ev): -42.3159 -42.3159 -42.3143 -42.3143 -19.3986 -19.3986 -19.3833 -19.3833 -17.9122 -17.9122 -17.9099 -17.9099 -8.8129 -8.8129 -8.6196 -8.6196 -5.1702 -5.1702 -5.1581 -5.1581 -4.8802 -4.8802 -4.7859 -4.7859 -4.2393 -4.2393 -4.1838 -4.1838 -2.2231 -2.2231 -2.0957 -2.0957 -1.8134 -1.8134 -1.8040 -1.8040 -1.2753 -1.2753 -1.1960 -1.1960 -0.8366 -0.8366 -0.6397 -0.6397 6.6416 6.6416 6.6943 6.6943 7.0311 7.0311 7.1986 7.1986 k = 0.5000-0.2985-0.0948 ( 18382 PWs) bands (ev): -42.3153 -42.3153 -42.3150 -42.3150 -19.3979 -19.3979 -19.3840 -19.3840 -17.9120 -17.9120 -17.9101 -17.9101 -8.8120 -8.8120 -8.6205 -8.6205 -5.1670 -5.1670 -5.1612 -5.1612 -4.8807 -4.8807 -4.7858 -4.7858 -4.2349 -4.2349 -4.1882 -4.1882 -2.2232 -2.2232 -2.0961 -2.0961 -1.8125 -1.8125 -1.8037 -1.8037 -1.2758 -1.2758 -1.1962 -1.1962 -0.8364 -0.8364 -0.6401 -0.6401 6.6498 6.6498 6.6895 6.6895 7.0376 7.0376 7.1995 7.1995 k = 0.5000-0.2985 0.3380 ( 18398 PWs) bands (ev): -42.3153 -42.3153 -42.3150 -42.3150 -19.3956 -19.3956 -19.3856 -19.3856 -17.9136 -17.9136 -17.9094 -17.9094 -8.8130 -8.8130 -8.6298 -8.6298 -5.2093 -5.2093 -5.1644 -5.1644 -4.8691 -4.8691 -4.8196 -4.8196 -4.1724 -4.1724 -4.1166 -4.1166 -2.1330 -2.1330 -2.0322 -2.0322 -1.8681 -1.8681 -1.8442 -1.8442 -1.3595 -1.3595 -1.2171 -1.2171 -0.8637 -0.8637 -0.6208 -0.6208 6.4208 6.4208 6.4775 6.4775 7.0554 7.0554 7.2855 7.2856 k = 0.4875-0.2910 0.3295 ( 18400 PWs) bands (ev): -42.3159 -42.3159 -42.3144 -42.3144 -19.3961 -19.3961 -19.3851 -19.3851 -17.9137 -17.9137 -17.9094 -17.9094 -8.8134 -8.8134 -8.6295 -8.6295 -5.2091 -5.2091 -5.1640 -5.1640 -4.8696 -4.8696 -4.8192 -4.8192 -4.1748 -4.1748 -4.1146 -4.1146 -2.1330 -2.1330 -2.0323 -2.0323 -1.8694 -1.8694 -1.8434 -1.8434 -1.3588 -1.3588 -1.2168 -1.2168 -0.8630 -0.8630 -0.6212 -0.6212 6.4061 6.4061 6.4904 6.4904 7.0533 7.0533 7.2841 7.2841 k = 0.4750-0.2836 0.3211 ( 18404 PWs) bands (ev): -42.3166 -42.3166 -42.3137 -42.3137 -19.3976 -19.3976 -19.3837 -19.3837 -17.9138 -17.9138 -17.9091 -17.9091 -8.8143 -8.8143 -8.6284 -8.6284 -5.2086 -5.2086 -5.1627 -5.1627 -4.8712 -4.8712 -4.8183 -4.8183 -4.1814 -4.1814 -4.1093 -4.1093 -2.1329 -2.1329 -2.0328 -2.0328 -1.8729 -1.8729 -1.8415 -1.8415 -1.3569 -1.3569 -1.2161 -1.2161 -0.8610 -0.8610 -0.6221 -0.6221 6.3771 6.3771 6.5138 6.5138 7.0472 7.0472 7.2796 7.2796 k = 0.4625-0.2761 0.3126 ( 18397 PWs) bands (ev): -42.3173 -42.3173 -42.3130 -42.3130 -19.3995 -19.3995 -19.3819 -19.3819 -17.9141 -17.9141 -17.9088 -17.9088 -8.8160 -8.8160 -8.6267 -8.6267 -5.2079 -5.2079 -5.1603 -5.1603 -4.8737 -4.8737 -4.8169 -4.8169 -4.1907 -4.1907 -4.1023 -4.1023 -2.1327 -2.1327 -2.0335 -2.0335 -1.8777 -1.8777 -1.8391 -1.8391 -1.3537 -1.3537 -1.2150 -1.2150 -0.8578 -0.8578 -0.6237 -0.6237 6.3439 6.3439 6.5376 6.5376 7.0369 7.0369 7.2720 7.2720 k = 0.4500-0.2687 0.3042 ( 18393 PWs) bands (ev): -42.3179 -42.3179 -42.3123 -42.3123 -19.4016 -19.4016 -19.3798 -19.3798 -17.9144 -17.9144 -17.9083 -17.9083 -8.8182 -8.8182 -8.6244 -8.6244 -5.2072 -5.2072 -5.1567 -5.1567 -4.8769 -4.8769 -4.8153 -4.8153 -4.2016 -4.2016 -4.0945 -4.0945 -2.1324 -2.1324 -2.0346 -2.0346 -1.8835 -1.8835 -1.8368 -1.8368 -1.3492 -1.3492 -1.2135 -1.2135 -0.8532 -0.8532 -0.6260 -0.6260 6.3084 6.3084 6.5597 6.5597 7.0228 7.0228 7.2612 7.2612 k = 0.4375-0.2612 0.2957 ( 18385 PWs) bands (ev): -42.3186 -42.3186 -42.3116 -42.3116 -19.4039 -19.4039 -19.3777 -19.3777 -17.9147 -17.9147 -17.9078 -17.9078 -8.8211 -8.8211 -8.6214 -8.6214 -5.2067 -5.2067 -5.1517 -5.1517 -4.8807 -4.8807 -4.8136 -4.8136 -4.2136 -4.2136 -4.0864 -4.0864 -2.1322 -2.1322 -2.0360 -2.0360 -1.8899 -1.8899 -1.8346 -1.8346 -1.3435 -1.3435 -1.2116 -1.2116 -0.8473 -0.8473 -0.6289 -0.6289 6.2715 6.2715 6.5791 6.5791 7.0048 7.0048 7.2474 7.2474 k = 0.4250-0.2537 0.2873 ( 18389 PWs) bands (ev): -42.3193 -42.3193 -42.3109 -42.3109 -19.4062 -19.4062 -19.3756 -19.3756 -17.9150 -17.9150 -17.9072 -17.9072 -8.8246 -8.8246 -8.6177 -8.6177 -5.2067 -5.2067 -5.1451 -5.1451 -4.8849 -4.8849 -4.8120 -4.8120 -4.2264 -4.2264 -4.0782 -4.0782 -2.1319 -2.1319 -2.0378 -2.0378 -1.8965 -1.8965 -1.8326 -1.8326 -1.3368 -1.3368 -1.2095 -1.2095 -0.8401 -0.8401 -0.6325 -0.6325 6.2333 6.2333 6.5951 6.5951 6.9832 6.9832 7.2310 7.2310 k = 0.4125-0.2463 0.2788 ( 18393 PWs) bands (ev): -42.3200 -42.3200 -42.3103 -42.3103 -19.4086 -19.4086 -19.3734 -19.3734 -17.9154 -17.9154 -17.9066 -17.9066 -8.8287 -8.8287 -8.6134 -8.6134 -5.2070 -5.2070 -5.1370 -5.1370 -4.8895 -4.8895 -4.8105 -4.8105 -4.2397 -4.2397 -4.0700 -4.0700 -2.1316 -2.1316 -2.0402 -2.0402 -1.9033 -1.9033 -1.8309 -1.8309 -1.3290 -1.3290 -1.2073 -1.2073 -0.8318 -0.8318 -0.6368 -0.6368 6.1941 6.1941 6.6071 6.6071 6.9581 6.9581 7.2126 7.2126 k = 0.4000-0.2388 0.2704 ( 18390 PWs) bands (ev): -42.3207 -42.3207 -42.3096 -42.3096 -19.4110 -19.4110 -19.3713 -19.3713 -17.9157 -17.9157 -17.9060 -17.9060 -8.8332 -8.8332 -8.6085 -8.6085 -5.2078 -5.2078 -5.1274 -5.1274 -4.8942 -4.8942 -4.8094 -4.8094 -4.2535 -4.2535 -4.0620 -4.0620 -2.1314 -2.1314 -2.0431 -2.0431 -1.9100 -1.9100 -1.8293 -1.8293 -1.3202 -1.3202 -1.2049 -1.2049 -0.8222 -0.8222 -0.6418 -0.6418 6.1541 6.1541 6.6145 6.6145 6.9299 6.9299 7.1933 7.1933 k = 0.3875-0.2313 0.2619 ( 18390 PWs) bands (ev): -42.3213 -42.3213 -42.3089 -42.3089 -19.4134 -19.4134 -19.3691 -19.3691 -17.9160 -17.9160 -17.9053 -17.9053 -8.8383 -8.8383 -8.6031 -8.6031 -5.2091 -5.2091 -5.1164 -5.1164 -4.8991 -4.8991 -4.8087 -4.8087 -4.2676 -4.2676 -4.0540 -4.0540 -2.1312 -2.1312 -2.0466 -2.0466 -1.9164 -1.9164 -1.8277 -1.8277 -1.3107 -1.3107 -1.2026 -1.2026 -0.8115 -0.8115 -0.6475 -0.6475 6.1134 6.1134 6.6162 6.6162 6.8994 6.8994 7.1739 7.1739 k = 0.3750-0.2239 0.2535 ( 18383 PWs) bands (ev): -42.3220 -42.3220 -42.3083 -42.3083 -19.4159 -19.4159 -19.3670 -19.3670 -17.9163 -17.9163 -17.9046 -17.9046 -8.8439 -8.8439 -8.5971 -8.5971 -5.2107 -5.2107 -5.1041 -5.1041 -4.9041 -4.9041 -4.8084 -4.8084 -4.2818 -4.2818 -4.0462 -4.0462 -2.1311 -2.1311 -2.0509 -2.0509 -1.9224 -1.9224 -1.8262 -1.8262 -1.3006 -1.3006 -1.2003 -1.2003 -0.7997 -0.7997 -0.6539 -0.6539 6.0721 6.0721 6.6114 6.6114 6.8679 6.8679 7.1551 7.1551 k = 0.3625-0.2164 0.2450 ( 18383 PWs) bands (ev): -42.3226 -42.3226 -42.3076 -42.3076 -19.4183 -19.4183 -19.3648 -19.3648 -17.9166 -17.9166 -17.9039 -17.9039 -8.8499 -8.8499 -8.5906 -8.5906 -5.2127 -5.2127 -5.0907 -5.0907 -4.9092 -4.9092 -4.8086 -4.8086 -4.2961 -4.2961 -4.0385 -4.0385 -2.1312 -2.1312 -2.0560 -2.0560 -1.9278 -1.9278 -1.8246 -1.8246 -1.2900 -1.2900 -1.1981 -1.1981 -0.7869 -0.7869 -0.6611 -0.6611 6.0306 6.0306 6.5985 6.5985 6.8374 6.8374 7.1374 7.1374 k = 0.3500-0.2090 0.2366 ( 18380 PWs) bands (ev): -42.3233 -42.3233 -42.3070 -42.3070 -19.4208 -19.4208 -19.3627 -19.3627 -17.9168 -17.9168 -17.9032 -17.9032 -8.8563 -8.8563 -8.5836 -8.5836 -5.2149 -5.2149 -5.0763 -5.0763 -4.9141 -4.9141 -4.8092 -4.8092 -4.3103 -4.3103 -4.0310 -4.0310 -2.1314 -2.1314 -2.0618 -2.0618 -1.9324 -1.9324 -1.8227 -1.8227 -1.2790 -1.2790 -1.1959 -1.1959 -0.7731 -0.7731 -0.6689 -0.6689 5.9888 5.9888 6.5764 6.5764 6.8099 6.8099 7.1210 7.1210 k = 0.3375-0.2015 0.2281 ( 18384 PWs) bands (ev): -42.3239 -42.3239 -42.3064 -42.3064 -19.4232 -19.4232 -19.3607 -19.3607 -17.9171 -17.9171 -17.9025 -17.9025 -8.8631 -8.8631 -8.5761 -8.5761 -5.2174 -5.2174 -5.0613 -5.0613 -4.9188 -4.9188 -4.8104 -4.8104 -4.3244 -4.3244 -4.0235 -4.0235 -2.1318 -2.1318 -2.0685 -2.0685 -1.9362 -1.9362 -1.8207 -1.8207 -1.2680 -1.2680 -1.1939 -1.1939 -0.7584 -0.7584 -0.6775 -0.6775 5.9471 5.9471 6.5447 6.5447 6.7869 6.7869 7.1055 7.1055 k = 0.3250-0.1940 0.2197 ( 18390 PWs) bands (ev): -42.3245 -42.3245 -42.3058 -42.3058 -19.4256 -19.4256 -19.3586 -19.3586 -17.9173 -17.9173 -17.9018 -17.9018 -8.8701 -8.8701 -8.5683 -8.5683 -5.2201 -5.2201 -5.0460 -5.0460 -4.9231 -4.9231 -4.8120 -4.8120 -4.3382 -4.3382 -4.0162 -4.0162 -2.1324 -2.1324 -2.0758 -2.0758 -1.9390 -1.9390 -1.8184 -1.8184 -1.2571 -1.2571 -1.1918 -1.1918 -0.7431 -0.7431 -0.6867 -0.6867 5.9055 5.9055 6.5043 6.5043 6.7687 6.7687 7.0909 7.0909 k = 0.3125-0.1866 0.2112 ( 18387 PWs) bands (ev): -42.3251 -42.3251 -42.3052 -42.3052 -19.4281 -19.4281 -19.3566 -19.3566 -17.9175 -17.9175 -17.9011 -17.9011 -8.8774 -8.8774 -8.5601 -8.5601 -5.2231 -5.2231 -5.0309 -5.0309 -4.9264 -4.9264 -4.8141 -4.8141 -4.3517 -4.3517 -4.0090 -4.0090 -2.1334 -2.1334 -2.0838 -2.0838 -1.9411 -1.9411 -1.8157 -1.8157 -1.2467 -1.2467 -1.1896 -1.1896 -0.7272 -0.7272 -0.6965 -0.6965 5.8643 5.8643 6.4570 6.4570 6.7546 6.7546 7.0767 7.0767 k = 0.3000-0.1791 0.2028 ( 18387 PWs) bands (ev): -42.3257 -42.3257 -42.3046 -42.3046 -19.4304 -19.4304 -19.3547 -19.3547 -17.9177 -17.9177 -17.9004 -17.9004 -8.8849 -8.8849 -8.5516 -8.5516 -5.2262 -5.2262 -5.0169 -5.0169 -4.9282 -4.9282 -4.8166 -4.8166 -4.3647 -4.3647 -4.0020 -4.0020 -2.1346 -2.1346 -2.0923 -2.0923 -1.9422 -1.9422 -1.8126 -1.8126 -1.2371 -1.2371 -1.1869 -1.1869 -0.7132 -0.7132 -0.7044 -0.7044 5.8236 5.8236 6.4049 6.4049 6.7436 6.7436 7.0627 7.0627 k = 0.2875-0.1716 0.1943 ( 18394 PWs) bands (ev): -42.3262 -42.3262 -42.3040 -42.3040 -19.4328 -19.4328 -19.3527 -19.3527 -17.9179 -17.9179 -17.8997 -17.8997 -8.8926 -8.8926 -8.5428 -8.5428 -5.2296 -5.2296 -5.0054 -5.0054 -4.9272 -4.9272 -4.8193 -4.8193 -4.3772 -4.3772 -3.9951 -3.9951 -2.1362 -2.1362 -2.1010 -2.1010 -1.9426 -1.9426 -1.8092 -1.8092 -1.2290 -1.2290 -1.1832 -1.1832 -0.7198 -0.7198 -0.6919 -0.6919 5.7837 5.7837 6.3495 6.3495 6.7349 6.7349 7.0485 7.0485 k = 0.2750-0.1642 0.1859 ( 18385 PWs) bands (ev): -42.3268 -42.3268 -42.3035 -42.3035 -19.4351 -19.4351 -19.3508 -19.3508 -17.9180 -17.9180 -17.8990 -17.8990 -8.9004 -8.9004 -8.5338 -8.5338 -5.2332 -5.2332 -4.9977 -4.9977 -4.9220 -4.9220 -4.8222 -4.8222 -4.3891 -4.3891 -3.9883 -3.9883 -2.1382 -2.1382 -2.1097 -2.1097 -1.9423 -1.9423 -1.8054 -1.8054 -1.2230 -1.2230 -1.1782 -1.1782 -0.7313 -0.7313 -0.6747 -0.6747 5.7448 5.7448 6.2923 6.2923 6.7281 6.7281 7.0341 7.0341 k = 0.2625-0.1567 0.1774 ( 18378 PWs) bands (ev): -42.3273 -42.3273 -42.3029 -42.3029 -19.4373 -19.4373 -19.3490 -19.3490 -17.9182 -17.9182 -17.8983 -17.8983 -8.9083 -8.9083 -8.5246 -8.5246 -5.2370 -5.2370 -4.9946 -4.9946 -4.9124 -4.9124 -4.8251 -4.8251 -4.4005 -4.4005 -3.9817 -3.9817 -2.1408 -2.1408 -2.1182 -2.1182 -1.9413 -1.9413 -1.8013 -1.8013 -1.2192 -1.2192 -1.1715 -1.1715 -0.7437 -0.7437 -0.6571 -0.6571 5.7069 5.7069 6.2342 6.2342 6.7227 6.7227 7.0193 7.0193 k = 0.2500-0.1493 0.1690 ( 18379 PWs) bands (ev): -42.3278 -42.3278 -42.3024 -42.3024 -19.4395 -19.4395 -19.3472 -19.3472 -17.9183 -17.9183 -17.8976 -17.8976 -8.9161 -8.9161 -8.5153 -8.5153 -5.2411 -5.2411 -4.9951 -4.9951 -4.8996 -4.8996 -4.8275 -4.8275 -4.4111 -4.4111 -3.9753 -3.9753 -2.1443 -2.1443 -2.1260 -2.1260 -1.9398 -1.9398 -1.7968 -1.7968 -1.2175 -1.2175 -1.1635 -1.1635 -0.7565 -0.7565 -0.6393 -0.6393 5.6703 5.6703 6.1758 6.1758 6.7187 6.7187 7.0041 7.0041 k = 0.2375-0.1418 0.1605 ( 18386 PWs) bands (ev): -42.3283 -42.3283 -42.3020 -42.3020 -19.4417 -19.4417 -19.3455 -19.3455 -17.9184 -17.9184 -17.8969 -17.8969 -8.9240 -8.9240 -8.5059 -8.5059 -5.2454 -5.2454 -4.9980 -4.9980 -4.8857 -4.8857 -4.8286 -4.8286 -4.4210 -4.4210 -3.9690 -3.9690 -2.1491 -2.1491 -2.1326 -2.1326 -1.9377 -1.9377 -1.7920 -1.7920 -1.2174 -1.2174 -1.1546 -1.1546 -0.7697 -0.7697 -0.6215 -0.6215 5.6351 5.6351 6.1179 6.1179 6.7158 6.7158 6.9886 6.9886 k = 0.2250-0.1343 0.1521 ( 18386 PWs) bands (ev): -42.3288 -42.3288 -42.3015 -42.3015 -19.4438 -19.4438 -19.3438 -19.3438 -17.9185 -17.9185 -17.8962 -17.8962 -8.9317 -8.9317 -8.4966 -8.4966 -5.2499 -5.2499 -5.0021 -5.0021 -4.8734 -4.8734 -4.8269 -4.8269 -4.4303 -4.4303 -3.9630 -3.9630 -2.1552 -2.1552 -2.1378 -2.1378 -1.9353 -1.9353 -1.7870 -1.7870 -1.2185 -1.2185 -1.1454 -1.1454 -0.7831 -0.7831 -0.6039 -0.6039 5.6015 5.6015 6.0607 6.0607 6.7139 6.7139 6.9727 6.9727 k = 0.2125-0.1269 0.1436 ( 18389 PWs) bands (ev): -42.3292 -42.3292 -42.3010 -42.3010 -19.4458 -19.4458 -19.3422 -19.3422 -17.9186 -17.9186 -17.8956 -17.8956 -8.9394 -8.9394 -8.4873 -8.4873 -5.2547 -5.2547 -5.0069 -5.0069 -4.8659 -4.8659 -4.8199 -4.8199 -4.4388 -4.4388 -3.9571 -3.9571 -2.1622 -2.1622 -2.1420 -2.1420 -1.9324 -1.9324 -1.7818 -1.7818 -1.2204 -1.2204 -1.1360 -1.1360 -0.7968 -0.7968 -0.5866 -0.5866 5.5697 5.5697 6.0048 6.0048 6.7128 6.7128 6.9568 6.9568 k = 0.2000-0.1194 0.1352 ( 18390 PWs) bands (ev): -42.3296 -42.3296 -42.3006 -42.3006 -19.4477 -19.4477 -19.3407 -19.3407 -17.9187 -17.9187 -17.8950 -17.8950 -8.9468 -8.9468 -8.4781 -8.4781 -5.2598 -5.2598 -5.0120 -5.0120 -4.8637 -4.8637 -4.8073 -4.8073 -4.4465 -4.4465 -3.9515 -3.9515 -2.1694 -2.1694 -2.1457 -2.1457 -1.9292 -1.9292 -1.7765 -1.7765 -1.2231 -1.2231 -1.1269 -1.1269 -0.8105 -0.8105 -0.5696 -0.5696 5.5397 5.5397 5.9503 5.9503 6.7125 6.7125 6.9408 6.9408 k = 0.1875-0.1119 0.1267 ( 18399 PWs) bands (ev): -42.3300 -42.3300 -42.3002 -42.3002 -19.4496 -19.4496 -19.3392 -19.3392 -17.9188 -17.9188 -17.8944 -17.8944 -8.9541 -8.9541 -8.4690 -8.4690 -5.2651 -5.2651 -5.0172 -5.0172 -4.8646 -4.8646 -4.7916 -4.7916 -4.4536 -4.4536 -3.9462 -3.9462 -2.1766 -2.1766 -2.1492 -2.1492 -1.9258 -1.9258 -1.7710 -1.7710 -1.2262 -1.2262 -1.1180 -1.1180 -0.8241 -0.8241 -0.5532 -0.5532 5.5117 5.5117 5.8976 5.8976 6.7127 6.7127 6.9251 6.9251 k = 0.1750-0.1045 0.1183 ( 18402 PWs) bands (ev): -42.3304 -42.3304 -42.2998 -42.2998 -19.4514 -19.4514 -19.3378 -19.3378 -17.9189 -17.9189 -17.8938 -17.8938 -8.9611 -8.9611 -8.4603 -8.4603 -5.2706 -5.2706 -5.0222 -5.0222 -4.8669 -4.8669 -4.7748 -4.7748 -4.4599 -4.4599 -3.9411 -3.9411 -2.1834 -2.1834 -2.1525 -2.1525 -1.9221 -1.9221 -1.7655 -1.7655 -1.2298 -1.2298 -1.1095 -1.1095 -0.8375 -0.8375 -0.5375 -0.5375 5.4857 5.4857 5.8468 5.8468 6.7133 6.7133 6.9098 6.9098 k = 0.1625-0.0970 0.1098 ( 18399 PWs) bands (ev): -42.3308 -42.3308 -42.2995 -42.2995 -19.4530 -19.4530 -19.3365 -19.3365 -17.9189 -17.9189 -17.8933 -17.8933 -8.9677 -8.9677 -8.4518 -8.4518 -5.2762 -5.2762 -5.0269 -5.0269 -4.8698 -4.8698 -4.7580 -4.7580 -4.4655 -4.4655 -3.9363 -3.9363 -2.1898 -2.1898 -2.1559 -2.1559 -1.9183 -1.9183 -1.7601 -1.7601 -1.2337 -1.2337 -1.1015 -1.1015 -0.8505 -0.8505 -0.5224 -0.5224 5.4620 5.4620 5.7981 5.7981 6.7140 6.7140 6.8952 6.8952 k = 0.1500-0.0896 0.1014 ( 18401 PWs) bands (ev): -42.3311 -42.3311 -42.2991 -42.2991 -19.4546 -19.4546 -19.3353 -19.3353 -17.9190 -17.9190 -17.8928 -17.8928 -8.9741 -8.9741 -8.4436 -8.4436 -5.2820 -5.2820 -5.0313 -5.0313 -4.8729 -4.8729 -4.7415 -4.7415 -4.4704 -4.4704 -3.9317 -3.9317 -2.1957 -2.1957 -2.1592 -2.1592 -1.9144 -1.9144 -1.7548 -1.7548 -1.2378 -1.2378 -1.0940 -1.0940 -0.8631 -0.8631 -0.5082 -0.5082 5.4404 5.4404 5.7518 5.7518 6.7148 6.7148 6.8815 6.8815 k = 0.1375-0.0821 0.0929 ( 18391 PWs) bands (ev): -42.3314 -42.3314 -42.2988 -42.2988 -19.4561 -19.4561 -19.3341 -19.3341 -17.9190 -17.9190 -17.8923 -17.8923 -8.9801 -8.9801 -8.4359 -8.4359 -5.2877 -5.2877 -5.0354 -5.0354 -4.8759 -4.8759 -4.7259 -4.7259 -4.4746 -4.4746 -3.9274 -3.9274 -2.2011 -2.2011 -2.1625 -2.1625 -1.9105 -1.9105 -1.7497 -1.7497 -1.2421 -1.2421 -1.0872 -1.0872 -0.8750 -0.8750 -0.4949 -0.4949 5.4213 5.4213 5.7079 5.7079 6.7154 6.7154 6.8689 6.8689 k = 0.1250-0.0746 0.0845 ( 18395 PWs) bands (ev): -42.3317 -42.3317 -42.2985 -42.2985 -19.4575 -19.4575 -19.3331 -19.3331 -17.9191 -17.9191 -17.8919 -17.8919 -8.9857 -8.9857 -8.4286 -8.4286 -5.2934 -5.2934 -5.0390 -5.0390 -4.8789 -4.8789 -4.7112 -4.7112 -4.4781 -4.4781 -3.9235 -3.9235 -2.2059 -2.2059 -2.1657 -2.1657 -1.9066 -1.9066 -1.7447 -1.7447 -1.2465 -1.2465 -1.0809 -1.0809 -0.8861 -0.8861 -0.4825 -0.4825 5.4045 5.4045 5.6665 5.6665 6.7156 6.7156 6.8577 6.8577 k = 0.1125-0.0672 0.0760 ( 18392 PWs) bands (ev): -42.3319 -42.3319 -42.2983 -42.2983 -19.4587 -19.4587 -19.3321 -19.3321 -17.9191 -17.9191 -17.8915 -17.8915 -8.9908 -8.9908 -8.4218 -8.4218 -5.2989 -5.2989 -5.0422 -5.0422 -4.8816 -4.8816 -4.6978 -4.6978 -4.4809 -4.4809 -3.9199 -3.9199 -2.2101 -2.2101 -2.1688 -2.1688 -1.9027 -1.9027 -1.7401 -1.7401 -1.2509 -1.2509 -1.0754 -1.0754 -0.8964 -0.8964 -0.4712 -0.4712 5.3901 5.3901 5.6278 5.6278 6.7152 6.7152 6.8481 6.8481 k = 0.1000-0.0597 0.0676 ( 18388 PWs) bands (ev): -42.3322 -42.3322 -42.2981 -42.2981 -19.4598 -19.4598 -19.3312 -19.3312 -17.9191 -17.9191 -17.8911 -17.8911 -8.9955 -8.9955 -8.4156 -8.4156 -5.3042 -5.3042 -5.0450 -5.0450 -4.8842 -4.8842 -4.6856 -4.6856 -4.4832 -4.4832 -3.9166 -3.9166 -2.2138 -2.2138 -2.1718 -2.1718 -1.8991 -1.8991 -1.7358 -1.7358 -1.2551 -1.2551 -1.0706 -1.0706 -0.9057 -0.9057 -0.4609 -0.4609 5.3782 5.3782 5.5919 5.5919 6.7142 6.7142 6.8402 6.8402 k = 0.0875-0.0522 0.0591 ( 18389 PWs) bands (ev): -42.3324 -42.3324 -42.2979 -42.2979 -19.4608 -19.4608 -19.3305 -19.3305 -17.9191 -17.9191 -17.8908 -17.8908 -8.9997 -8.9997 -8.4100 -8.4100 -5.3092 -5.3092 -5.0475 -5.0475 -4.8865 -4.8865 -4.6748 -4.6748 -4.4848 -4.4848 -3.9136 -3.9136 -2.2169 -2.2169 -2.1746 -2.1746 -1.8956 -1.8956 -1.7319 -1.7319 -1.2592 -1.2592 -1.0665 -1.0665 -0.9139 -0.9139 -0.4517 -0.4517 5.3688 5.3688 5.5589 5.5589 6.7126 6.7126 6.8339 6.8339 k = 0.0750-0.0448 0.0507 ( 18380 PWs) bands (ev): -42.3326 -42.3326 -42.2977 -42.2977 -19.4617 -19.4617 -19.3298 -19.3298 -17.9192 -17.9192 -17.8905 -17.8905 -9.0033 -9.0033 -8.4051 -8.4051 -5.3137 -5.3137 -5.0495 -5.0495 -4.8885 -4.8885 -4.6656 -4.6656 -4.4860 -4.4860 -3.9110 -3.9110 -2.2195 -2.2195 -2.1772 -2.1772 -1.8925 -1.8925 -1.7284 -1.7284 -1.2629 -1.2629 -1.0631 -1.0631 -0.9209 -0.9209 -0.4437 -0.4437 5.3618 5.3618 5.5289 5.5289 6.7105 6.7105 6.8291 6.8291 k = 0.0625-0.0373 0.0422 ( 18376 PWs) bands (ev): -42.3327 -42.3327 -42.2975 -42.2975 -19.4625 -19.4625 -19.3292 -19.3292 -17.9192 -17.9192 -17.8903 -17.8903 -9.0065 -9.0065 -8.4008 -8.4008 -5.3176 -5.3176 -5.0511 -5.0511 -4.8902 -4.8902 -4.6578 -4.6578 -4.4867 -4.4867 -3.9088 -3.9088 -2.2217 -2.2217 -2.1795 -2.1795 -1.8897 -1.8897 -1.7254 -1.7254 -1.2663 -1.2663 -1.0604 -1.0604 -0.9268 -0.9268 -0.4369 -0.4369 5.3572 5.3572 5.5020 5.5020 6.7080 6.7080 6.8257 6.8257 k = 0.0500-0.0299 0.0338 ( 18373 PWs) bands (ev): -42.3328 -42.3328 -42.2974 -42.2974 -19.4631 -19.4631 -19.3287 -19.3287 -17.9192 -17.9192 -17.8901 -17.8901 -9.0091 -9.0091 -8.3973 -8.3973 -5.3210 -5.3210 -5.0524 -5.0524 -4.8916 -4.8916 -4.6515 -4.6515 -4.4871 -4.4871 -3.9069 -3.9069 -2.2233 -2.2233 -2.1815 -2.1815 -1.8873 -1.8873 -1.7229 -1.7229 -1.2692 -1.2692 -1.0583 -1.0583 -0.9316 -0.9316 -0.4313 -0.4313 5.3548 5.3548 5.4786 5.4786 6.7056 6.7056 6.8234 6.8234 k = 0.0375-0.0224 0.0253 ( 18376 PWs) bands (ev): -42.3329 -42.3329 -42.2973 -42.2973 -19.4636 -19.4636 -19.3283 -19.3283 -17.9192 -17.9192 -17.8899 -17.8899 -9.0111 -9.0111 -8.3945 -8.3945 -5.3237 -5.3237 -5.0534 -5.0534 -4.8927 -4.8927 -4.6466 -4.6466 -4.4873 -4.4873 -3.9055 -3.9055 -2.2246 -2.2246 -2.1831 -2.1831 -1.8854 -1.8854 -1.7209 -1.7209 -1.2716 -1.2716 -1.0568 -1.0568 -0.9352 -0.9352 -0.4269 -0.4269 5.3543 5.3543 5.4590 5.4590 6.7034 6.7034 6.8220 6.8220 k = 0.0250-0.0149 0.0169 ( 18377 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4639 -19.4639 -19.3281 -19.3281 -17.9192 -17.9192 -17.8898 -17.8898 -9.0126 -9.0126 -8.3925 -8.3925 -5.3256 -5.3256 -5.0541 -5.0541 -4.8935 -4.8935 -4.6432 -4.6432 -4.4873 -4.4873 -3.9045 -3.9045 -2.2255 -2.2255 -2.1842 -2.1842 -1.8840 -1.8840 -1.7195 -1.7195 -1.2733 -1.2733 -1.0558 -1.0558 -0.9377 -0.9377 -0.4238 -0.4238 5.3552 5.3552 5.4437 5.4437 6.7017 6.7017 6.8211 6.8211 k = 0.0125-0.0075 0.0084 ( 18377 PWs) bands (ev): -42.3330 -42.3330 -42.2972 -42.2972 -19.4641 -19.4641 -19.3279 -19.3279 -17.9192 -17.9192 -17.8898 -17.8898 -9.0134 -9.0134 -8.3913 -8.3913 -5.3268 -5.3268 -5.0546 -5.0546 -4.8940 -4.8940 -4.6412 -4.6412 -4.4873 -4.4873 -3.9038 -3.9038 -2.2260 -2.2260 -2.1850 -2.1850 -1.8832 -1.8832 -1.7186 -1.7186 -1.2744 -1.2744 -1.0553 -1.0553 -0.9392 -0.9392 -0.4219 -0.4219 5.3565 5.3565 5.4337 5.4337 6.7006 6.7006 6.8206 6.8206 k = 0.0000 0.0000 0.0000 ( 18365 PWs) bands (ev): -42.3331 -42.3331 -42.2972 -42.2972 -19.4642 -19.4642 -19.3279 -19.3279 -17.9192 -17.9192 -17.8897 -17.8897 -9.0137 -9.0137 -8.3909 -8.3909 -5.3272 -5.3272 -5.0547 -5.0547 -4.8941 -4.8941 -4.6405 -4.6405 -4.4873 -4.4873 -3.9036 -3.9036 -2.2261 -2.2261 -2.1852 -2.1852 -1.8829 -1.8829 -1.7183 -1.7183 -1.2747 -1.2747 -1.0551 -1.0551 -0.9397 -0.9397 -0.4213 -0.4213 5.3571 5.3571 5.4302 5.4302 6.7002 6.7002 6.8205 6.8205 Writing output data file LiPxHOx2.save init_run : 0.48s CPU 0.63s WALL ( 1 calls) electrons : 576.14s CPU 580.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 576.13s CPU 580.90s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.31s WALL ( 299 calls) cegterg : 531.07s CPU 534.63s WALL ( 706 calls) Called by sum_band: Called by *egterg: h_psi : 379.56s CPU 382.27s WALL ( 12804 calls) s_psi : 17.99s CPU 17.90s WALL ( 12804 calls) g_psi : 1.30s CPU 1.27s WALL ( 11799 calls) cdiaghg : 79.98s CPU 80.97s WALL ( 12098 calls) cegterg:over : 28.94s CPU 28.78s WALL ( 11799 calls) cegterg:upda : 34.31s CPU 34.54s WALL ( 11799 calls) cegterg:last : 14.21s CPU 14.29s WALL ( 1603 calls) cdiaghg:chol : 4.64s CPU 4.72s WALL ( 12098 calls) cdiaghg:inve : 2.80s CPU 2.95s WALL ( 12098 calls) cdiaghg:para : 4.72s CPU 4.75s WALL ( 24196 calls) Called by h_psi: h_psi:vloc : 341.75s CPU 344.11s WALL ( 12804 calls) h_psi:vnl : 36.30s CPU 36.67s WALL ( 12804 calls) add_vuspsi : 17.15s CPU 17.49s WALL ( 12804 calls) General routines calbec : 19.11s CPU 19.14s WALL ( 12804 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 320.95s CPU 323.34s WALL ( 1004168 calls) davcio : 0.44s CPU 0.72s WALL ( 598 calls) Parallel routines fft_scatter : 82.42s CPU 83.92s WALL ( 1004183 calls) PWSCF : 10m16.42s CPU 10m41.71s WALL This run was terminated on: 19:10:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=