Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:55: 1 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: ./BaxCoAsx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized 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 89 89 25 1798 1798 274 Max 90 90 27 1801 1801 275 Sum 3231 3231 913 64785 64785 9865 bravais-lattice index = 14 lattice parameter (alat) = 13.0876 a.u. unit-cell volume = 669.7222 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.087646 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.836696 celldm(5)= -0.836696 celldm(6)= 0.673392 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.673392 0.739285 0.000000 ) a(3) = ( -0.836696 -0.369643 0.404109 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.910870 1.237291 ) b(2) = ( 0.000000 1.352658 1.237291 ) b(3) = ( 0.000000 0.000000 2.474582 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Co 17.00 58.93320 Co( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0000000 0.0217069), wk = 0.0028902 k( 3) = ( 0.0000000 0.0000000 0.0434137), wk = 0.0028902 k( 4) = ( 0.0000000 0.0000000 0.0651206), wk = 0.0028902 k( 5) = ( 0.0000000 0.0000000 0.0868275), wk = 0.0028902 k( 6) = ( 0.0000000 0.0000000 0.1085343), wk = 0.0028902 k( 7) = ( 0.0000000 0.0000000 0.1302412), wk = 0.0028902 k( 8) = ( 0.0000000 0.0000000 0.1519480), wk = 0.0028902 k( 9) = ( 0.0000000 0.0000000 0.1736549), wk = 0.0028902 k( 10) = ( 0.0000000 0.0000000 0.1953618), wk = 0.0028902 k( 11) = ( 0.0000000 0.0000000 0.2170686), wk = 0.0028902 k( 12) = ( 0.0000000 0.0000000 0.2387755), wk = 0.0028902 k( 13) = ( 0.0000000 0.0000000 0.2604824), wk = 0.0028902 k( 14) = ( 0.0000000 0.0000000 0.2821892), wk = 0.0028902 k( 15) = ( 0.0000000 0.0000000 0.3038961), wk = 0.0028902 k( 16) = ( 0.0000000 0.0000000 0.3256030), wk = 0.0028902 k( 17) = ( 0.0000000 0.0000000 0.3473098), wk = 0.0028902 k( 18) = ( 0.0000000 0.0000000 0.3690167), wk = 0.0028902 k( 19) = ( 0.0000000 0.0000000 0.3907235), wk = 0.0028902 k( 20) = ( 0.0000000 0.0000000 0.4124304), wk = 0.0028902 k( 21) = ( 0.0000000 0.0000000 0.4341373), wk = 0.0028902 k( 22) = ( 0.0000000 0.0000000 0.4558441), wk = 0.0028902 k( 23) = ( 0.0000000 0.0000000 0.4775510), wk = 0.0028902 k( 24) = ( 0.0000000 0.0000000 0.4992579), wk = 0.0028902 k( 25) = ( 0.0000000 0.0000000 0.5209647), wk = 0.0028902 k( 26) = ( 0.0000000 0.0000000 0.5426716), wk = 0.0028902 k( 27) = ( 0.0000000 0.0000000 0.5643784), wk = 0.0028902 k( 28) = ( 0.0000000 0.0000000 0.5860853), wk = 0.0028902 k( 29) = ( 0.0000000 0.0000000 0.6077922), wk = 0.0028902 k( 30) = ( 0.0000000 0.0000000 0.6294990), wk = 0.0028902 k( 31) = ( 0.0000000 0.0000000 0.6512059), wk = 0.0028902 k( 32) = ( 0.0000000 0.0000000 0.6729127), wk = 0.0028902 k( 33) = ( 0.0000000 0.0000000 0.6946196), wk = 0.0028902 k( 34) = ( 0.0000000 0.0000000 0.7163265), wk = 0.0028902 k( 35) = ( 0.0000000 0.0000000 0.7380333), wk = 0.0028902 k( 36) = ( 0.0000000 0.0000000 0.7597402), wk = 0.0028902 k( 37) = ( 0.0000000 0.0000000 0.7814471), wk = 0.0028902 k( 38) = ( 0.0000000 0.0000000 0.8031539), wk = 0.0028902 k( 39) = ( 0.0000000 0.0000000 0.8248608), wk = 0.0028902 k( 40) = ( 0.0000000 0.0000000 0.8465676), wk = 0.0028902 k( 41) = ( 0.0000000 0.0000000 0.8682745), wk = 0.0028902 k( 42) = ( 0.0000000 0.0000000 0.8899814), wk = 0.0028902 k( 43) = ( 0.0000000 0.0000000 0.9116882), wk = 0.0028902 k( 44) = ( 0.0000000 0.0000000 0.9333951), wk = 0.0028902 k( 45) = ( 0.0000000 0.0000000 0.9551020), wk = 0.0028902 k( 46) = ( 0.0000000 0.0000000 0.9768088), wk = 0.0028902 k( 47) = ( 0.0000000 0.0000000 0.9985157), wk = 0.0028902 k( 48) = ( 0.0000000 0.0000000 1.0202226), wk = 0.0028902 k( 49) = ( 0.0000000 0.0000000 1.0419294), wk = 0.0028902 k( 50) = ( 0.0000000 0.0000000 1.0636363), wk = 0.0028902 k( 51) = ( 0.0000000 0.0000000 1.0853431), wk = 0.0028902 k( 52) = ( 0.0000000 0.0000000 1.1070500), wk = 0.0028902 k( 53) = ( 0.0000000 0.0000000 1.1287569), wk = 0.0028902 k( 54) = ( 0.0000000 0.0000000 1.1504637), wk = 0.0028902 k( 55) = ( 0.0000000 0.0000000 1.1721706), wk = 0.0028902 k( 56) = ( 0.0000000 0.0000000 1.1938775), wk = 0.0028902 k( 57) = ( 0.0000000 0.0000000 1.2155843), wk = 0.0028902 k( 58) = ( 0.0000000 0.0000000 1.2372912), wk = 0.0028902 k( 59) = ( 0.0000000 0.0000000 1.2372912), wk = 0.0028902 k( 60) = ( -0.0081324 0.0184078 1.2372912), wk = 0.0028902 k( 61) = ( -0.0162647 0.0368157 1.2372912), wk = 0.0028902 k( 62) = ( -0.0243971 0.0552235 1.2372912), wk = 0.0028902 k( 63) = ( -0.0325295 0.0736314 1.2372912), wk = 0.0028902 k( 64) = ( -0.0406618 0.0920392 1.2372912), wk = 0.0028902 k( 65) = ( -0.0487942 0.1104471 1.2372912), wk = 0.0028902 k( 66) = ( -0.0487942 0.1104471 1.2372912), wk = 0.0028902 k( 67) = ( -0.0550610 0.1246320 1.2217836), wk = 0.0028902 k( 68) = ( -0.0613277 0.1388170 1.2062760), wk = 0.0028902 k( 69) = ( -0.0675945 0.1530019 1.1907684), wk = 0.0028902 k( 70) = ( -0.0738612 0.1671869 1.1752609), wk = 0.0028902 k( 71) = ( -0.0801280 0.1813718 1.1597533), wk = 0.0028902 k( 72) = ( -0.0863947 0.1955568 1.1442457), wk = 0.0028902 k( 73) = ( -0.0926615 0.2097418 1.1287381), wk = 0.0028902 k( 74) = ( -0.0989282 0.2239267 1.1132305), wk = 0.0028902 k( 75) = ( -0.1051949 0.2381117 1.0977230), wk = 0.0028902 k( 76) = ( -0.1114617 0.2522966 1.0822154), wk = 0.0028902 k( 77) = ( -0.1177284 0.2664816 1.0667078), wk = 0.0028902 k( 78) = ( -0.1239952 0.2806665 1.0512002), wk = 0.0028902 k( 79) = ( -0.1302619 0.2948515 1.0356926), wk = 0.0028902 k( 80) = ( -0.1365287 0.3090364 1.0201850), wk = 0.0028902 k( 81) = ( -0.1427954 0.3232214 1.0046775), wk = 0.0028902 k( 82) = ( -0.1490622 0.3374064 0.9891699), wk = 0.0028902 k( 83) = ( -0.1553289 0.3515913 0.9736623), wk = 0.0028902 k( 84) = ( -0.1615957 0.3657763 0.9581547), wk = 0.0028902 k( 85) = ( -0.1678624 0.3799612 0.9426471), wk = 0.0028902 k( 86) = ( -0.1741292 0.3941462 0.9271396), wk = 0.0028902 k( 87) = ( -0.1803959 0.4083311 0.9116320), wk = 0.0028902 k( 88) = ( -0.1866627 0.4225161 0.8961244), wk = 0.0028902 k( 89) = ( -0.1929294 0.4367011 0.8806168), wk = 0.0028902 k( 90) = ( -0.1991961 0.4508860 0.8651092), wk = 0.0028902 k( 91) = ( -0.2054629 0.4650710 0.8496017), wk = 0.0028902 k( 92) = ( -0.2117296 0.4792559 0.8340941), wk = 0.0028902 k( 93) = ( -0.2179964 0.4934409 0.8185865), wk = 0.0028902 k( 94) = ( -0.2242631 0.5076258 0.8030789), wk = 0.0028902 k( 95) = ( -0.2305299 0.5218108 0.7875713), wk = 0.0028902 k( 96) = ( -0.2367966 0.5359957 0.7720637), wk = 0.0028902 k( 97) = ( -0.2430634 0.5501807 0.7565562), wk = 0.0028902 k( 98) = ( -0.2493301 0.5643657 0.7410486), wk = 0.0028902 k( 99) = ( -0.2555969 0.5785506 0.7255410), wk = 0.0028902 k( 100) = ( -0.2618636 0.5927356 0.7100334), wk = 0.0028902 k( 101) = ( -0.2681304 0.6069205 0.6945258), wk = 0.0028902 k( 102) = ( -0.2743971 0.6211055 0.6790183), wk = 0.0028902 k( 103) = ( -0.2743971 0.6211055 0.6790183), wk = 0.0028902 k( 104) = ( -0.2681608 0.6069894 0.6635860), wk = 0.0028902 k( 105) = ( -0.2619245 0.5928734 0.6481538), wk = 0.0028902 k( 106) = ( -0.2556882 0.5787574 0.6327215), wk = 0.0028902 k( 107) = ( -0.2494519 0.5646413 0.6172893), wk = 0.0028902 k( 108) = ( -0.2432156 0.5505253 0.6018571), wk = 0.0028902 k( 109) = ( -0.2369793 0.5364093 0.5864249), wk = 0.0028902 k( 110) = ( -0.2307430 0.5222932 0.5709926), wk = 0.0028902 k( 111) = ( -0.2245067 0.5081772 0.5555604), wk = 0.0028902 k( 112) = ( -0.2182704 0.4940612 0.5401282), wk = 0.0028902 k( 113) = ( -0.2120341 0.4799451 0.5246959), wk = 0.0028902 k( 114) = ( -0.2057978 0.4658291 0.5092637), wk = 0.0028902 k( 115) = ( -0.1995615 0.4517131 0.4938314), wk = 0.0028902 k( 116) = ( -0.1933252 0.4375970 0.4783992), wk = 0.0028902 k( 117) = ( -0.1870889 0.4234810 0.4629670), wk = 0.0028902 k( 118) = ( -0.1808526 0.4093650 0.4475348), wk = 0.0028902 k( 119) = ( -0.1746163 0.3952489 0.4321025), wk = 0.0028902 k( 120) = ( -0.1683800 0.3811329 0.4166703), wk = 0.0028902 k( 121) = ( -0.1621438 0.3670169 0.4012381), wk = 0.0028902 k( 122) = ( -0.1559075 0.3529008 0.3858058), wk = 0.0028902 k( 123) = ( -0.1496712 0.3387848 0.3703736), wk = 0.0028902 k( 124) = ( -0.1434349 0.3246688 0.3549414), wk = 0.0028902 k( 125) = ( -0.1371986 0.3105527 0.3395091), wk = 0.0028902 k( 126) = ( -0.1309623 0.2964367 0.3240769), wk = 0.0028902 k( 127) = ( -0.1247260 0.2823207 0.3086447), wk = 0.0028902 k( 128) = ( -0.1184897 0.2682046 0.2932124), wk = 0.0028902 k( 129) = ( -0.1122534 0.2540886 0.2777802), wk = 0.0028902 k( 130) = ( -0.1060171 0.2399726 0.2623479), wk = 0.0028902 k( 131) = ( -0.0997808 0.2258565 0.2469157), wk = 0.0028902 k( 132) = ( -0.0935445 0.2117405 0.2314835), wk = 0.0028902 k( 133) = ( -0.0873082 0.1976245 0.2160513), wk = 0.0028902 k( 134) = ( -0.0810719 0.1835084 0.2006190), wk = 0.0028902 k( 135) = ( -0.0748356 0.1693924 0.1851868), wk = 0.0028902 k( 136) = ( -0.0685993 0.1552764 0.1697546), wk = 0.0028902 k( 137) = ( -0.0623630 0.1411603 0.1543223), wk = 0.0028902 k( 138) = ( -0.0561267 0.1270443 0.1388901), wk = 0.0028902 k( 139) = ( -0.0498904 0.1129283 0.1234579), wk = 0.0028902 k( 140) = ( -0.0436541 0.0988122 0.1080256), wk = 0.0028902 k( 141) = ( -0.0374178 0.0846962 0.0925934), wk = 0.0028902 k( 142) = ( -0.0311815 0.0705802 0.0771612), wk = 0.0028902 k( 143) = ( -0.0249452 0.0564641 0.0617289), wk = 0.0028902 k( 144) = ( -0.0187089 0.0423481 0.0462967), wk = 0.0028902 k( 145) = ( -0.0124726 0.0282321 0.0308645), wk = 0.0028902 k( 146) = ( -0.0062363 0.0141160 0.0154322), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 149) = ( 0.0200000 0.0088358 -0.0000000), wk = 0.0028902 k( 150) = ( 0.0400000 0.0176715 -0.0000000), wk = 0.0028902 k( 151) = ( 0.0600000 0.0265073 -0.0000000), wk = 0.0028902 k( 152) = ( 0.0800000 0.0353431 -0.0000000), wk = 0.0028902 k( 153) = ( 0.1000000 0.0441788 -0.0000000), wk = 0.0028902 k( 154) = ( 0.1200000 0.0530146 -0.0000000), wk = 0.0028902 k( 155) = ( 0.1400000 0.0618504 -0.0000000), wk = 0.0028902 k( 156) = ( 0.1600000 0.0706861 -0.0000000), wk = 0.0028902 k( 157) = ( 0.1800000 0.0795219 -0.0000000), wk = 0.0028902 k( 158) = ( 0.2000000 0.0883577 -0.0000000), wk = 0.0028902 k( 159) = ( 0.2200000 0.0971934 -0.0000000), wk = 0.0028902 k( 160) = ( 0.2400000 0.1060292 -0.0000000), wk = 0.0028902 k( 161) = ( 0.2600000 0.1148649 -0.0000000), wk = 0.0028902 k( 162) = ( 0.2800000 0.1237007 -0.0000000), wk = 0.0028902 k( 163) = ( 0.3000000 0.1325365 -0.0000000), wk = 0.0028902 k( 164) = ( 0.3200000 0.1413722 -0.0000000), wk = 0.0028902 k( 165) = ( 0.3400000 0.1502080 -0.0000000), wk = 0.0028902 k( 166) = ( 0.3600000 0.1590438 -0.0000000), wk = 0.0028902 k( 167) = ( 0.3800000 0.1678795 -0.0000000), wk = 0.0028902 k( 168) = ( 0.4000000 0.1767153 -0.0000000), wk = 0.0028902 k( 169) = ( 0.4200000 0.1855511 -0.0000000), wk = 0.0028902 k( 170) = ( 0.4400000 0.1943868 -0.0000000), wk = 0.0028902 k( 171) = ( 0.4600000 0.2032226 -0.0000000), wk = 0.0028902 k( 172) = ( 0.4800000 0.2120584 -0.0000000), wk = 0.0028902 k( 173) = ( 0.5000000 0.2208941 -0.0000000), wk = 0.0028902 k( 174) = ( 0.5000000 0.2208941 -0.0000000), wk = 0.0028902 k( 175) = ( 0.4937333 0.2350791 0.0155076), wk = 0.0028902 k( 176) = ( 0.4874665 0.2492640 0.0310152), wk = 0.0028902 k( 177) = ( 0.4811998 0.2634490 0.0465227), wk = 0.0028902 k( 178) = ( 0.4749330 0.2776340 0.0620303), wk = 0.0028902 k( 179) = ( 0.4686663 0.2918189 0.0775379), wk = 0.0028902 k( 180) = ( 0.4623995 0.3060039 0.0930455), wk = 0.0028902 k( 181) = ( 0.4561328 0.3201888 0.1085531), wk = 0.0028902 k( 182) = ( 0.4498660 0.3343738 0.1240607), wk = 0.0028902 k( 183) = ( 0.4435993 0.3485587 0.1395682), wk = 0.0028902 k( 184) = ( 0.4373325 0.3627437 0.1550758), wk = 0.0028902 k( 185) = ( 0.4310658 0.3769287 0.1705834), wk = 0.0028902 k( 186) = ( 0.4247990 0.3911136 0.1860910), wk = 0.0028902 k( 187) = ( 0.4185323 0.4052986 0.2015986), wk = 0.0028902 k( 188) = ( 0.4122655 0.4194835 0.2171061), wk = 0.0028902 k( 189) = ( 0.4059988 0.4336685 0.2326137), wk = 0.0028902 k( 190) = ( 0.3997321 0.4478534 0.2481213), wk = 0.0028902 k( 191) = ( 0.3934653 0.4620384 0.2636289), wk = 0.0028902 k( 192) = ( 0.3871985 0.4762233 0.2791365), wk = 0.0028902 k( 193) = ( 0.3809318 0.4904083 0.2946440), wk = 0.0028902 k( 194) = ( 0.3746651 0.5045932 0.3101516), wk = 0.0028902 k( 195) = ( 0.3683983 0.5187782 0.3256592), wk = 0.0028902 k( 196) = ( 0.3621316 0.5329632 0.3411668), wk = 0.0028902 k( 197) = ( 0.3558648 0.5471481 0.3566744), wk = 0.0028902 k( 198) = ( 0.3495981 0.5613331 0.3721820), wk = 0.0028902 k( 199) = ( 0.3433313 0.5755180 0.3876895), wk = 0.0028902 k( 200) = ( 0.3370646 0.5897030 0.4031971), wk = 0.0028902 k( 201) = ( 0.3307978 0.6038879 0.4187047), wk = 0.0028902 k( 202) = ( 0.3245311 0.6180729 0.4342123), wk = 0.0028902 k( 203) = ( 0.3182643 0.6322578 0.4497199), wk = 0.0028902 k( 204) = ( 0.3119976 0.6464428 0.4652275), wk = 0.0028902 k( 205) = ( 0.3057308 0.6606278 0.4807350), wk = 0.0028902 k( 206) = ( 0.2994641 0.6748127 0.4962426), wk = 0.0028902 k( 207) = ( 0.2931974 0.6889977 0.5117502), wk = 0.0028902 k( 208) = ( 0.2869306 0.7031826 0.5272578), wk = 0.0028902 k( 209) = ( 0.2806639 0.7173676 0.5427653), wk = 0.0028902 k( 210) = ( 0.2743971 0.7315525 0.5582729), wk = 0.0028902 k( 211) = ( 0.2743971 0.7315525 0.5582729), wk = 0.0028902 k( 212) = ( 0.2532896 0.7273046 0.5629170), wk = 0.0028902 k( 213) = ( 0.2321822 0.7230566 0.5675610), wk = 0.0028902 k( 214) = ( 0.2110747 0.7188087 0.5722051), wk = 0.0028902 k( 215) = ( 0.1899672 0.7145607 0.5768491), wk = 0.0028902 k( 216) = ( 0.1688598 0.7103127 0.5814932), wk = 0.0028902 k( 217) = ( 0.1477523 0.7060648 0.5861372), wk = 0.0028902 k( 218) = ( 0.1266448 0.7018168 0.5907813), wk = 0.0028902 k( 219) = ( 0.1055374 0.6975688 0.5954253), wk = 0.0028902 k( 220) = ( 0.0844299 0.6933209 0.6000694), wk = 0.0028902 k( 221) = ( 0.0633224 0.6890729 0.6047134), wk = 0.0028902 k( 222) = ( 0.0422149 0.6848249 0.6093575), wk = 0.0028902 k( 223) = ( 0.0211075 0.6805770 0.6140015), wk = 0.0028902 k( 224) = ( 0.0000000 0.6763290 0.6186456), wk = 0.0028902 k( 225) = ( 0.0000000 0.6763290 0.6186456), wk = 0.0028902 k( 226) = ( 0.0062500 0.6621820 0.6341117), wk = 0.0028902 k( 227) = ( 0.0125000 0.6480349 0.6495779), wk = 0.0028902 k( 228) = ( 0.0187500 0.6338879 0.6650440), wk = 0.0028902 k( 229) = ( 0.0250000 0.6197408 0.6805102), wk = 0.0028902 k( 230) = ( 0.0312500 0.6055938 0.6959763), wk = 0.0028902 k( 231) = ( 0.0375000 0.5914467 0.7114424), wk = 0.0028902 k( 232) = ( 0.0437500 0.5772997 0.7269086), wk = 0.0028902 k( 233) = ( 0.0500000 0.5631526 0.7423747), wk = 0.0028902 k( 234) = ( 0.0562500 0.5490056 0.7578409), wk = 0.0028902 k( 235) = ( 0.0625000 0.5348585 0.7733070), wk = 0.0028902 k( 236) = ( 0.0687500 0.5207115 0.7887731), wk = 0.0028902 k( 237) = ( 0.0750000 0.5065644 0.8042393), wk = 0.0028902 k( 238) = ( 0.0812500 0.4924174 0.8197054), wk = 0.0028902 k( 239) = ( 0.0875000 0.4782703 0.8351716), wk = 0.0028902 k( 240) = ( 0.0937500 0.4641233 0.8506377), wk = 0.0028902 k( 241) = ( 0.1000000 0.4499762 0.8661038), wk = 0.0028902 k( 242) = ( 0.1062500 0.4358292 0.8815700), wk = 0.0028902 k( 243) = ( 0.1125000 0.4216821 0.8970361), wk = 0.0028902 k( 244) = ( 0.1187500 0.4075351 0.9125023), wk = 0.0028902 k( 245) = ( 0.1250000 0.3933880 0.9279684), wk = 0.0028902 k( 246) = ( 0.1312500 0.3792410 0.9434345), wk = 0.0028902 k( 247) = ( 0.1375000 0.3650939 0.9589007), wk = 0.0028902 k( 248) = ( 0.1437500 0.3509469 0.9743668), wk = 0.0028902 k( 249) = ( 0.1500000 0.3367998 0.9898330), wk = 0.0028902 k( 250) = ( 0.1562500 0.3226528 1.0052991), wk = 0.0028902 k( 251) = ( 0.1625000 0.3085057 1.0207652), wk = 0.0028902 k( 252) = ( 0.1687500 0.2943587 1.0362314), wk = 0.0028902 k( 253) = ( 0.1750000 0.2802116 1.0516975), wk = 0.0028902 k( 254) = ( 0.1812500 0.2660646 1.0671637), wk = 0.0028902 k( 255) = ( 0.1875000 0.2519176 1.0826298), wk = 0.0028902 k( 256) = ( 0.1937500 0.2377705 1.0980959), wk = 0.0028902 k( 257) = ( 0.2000000 0.2236235 1.1135621), wk = 0.0028902 k( 258) = ( 0.2062500 0.2094764 1.1290282), wk = 0.0028902 k( 259) = ( 0.2125000 0.1953294 1.1444944), wk = 0.0028902 k( 260) = ( 0.2187500 0.1811823 1.1599605), wk = 0.0028902 k( 261) = ( 0.2250000 0.1670353 1.1754266), wk = 0.0028902 k( 262) = ( 0.2312500 0.1528882 1.1908928), wk = 0.0028902 k( 263) = ( 0.2375000 0.1387412 1.2063589), wk = 0.0028902 k( 264) = ( 0.2437500 0.1245941 1.2218251), wk = 0.0028902 k( 265) = ( 0.2500000 0.1104471 1.2372912), wk = 0.0028902 k( 266) = ( 0.2500000 0.1104471 1.2372912), wk = 0.0028902 k( 267) = ( 0.2678571 0.1183361 1.2286665), wk = 0.0028902 k( 268) = ( 0.2857143 0.1262252 1.2200419), wk = 0.0028902 k( 269) = ( 0.3035714 0.1341143 1.2114172), wk = 0.0028902 k( 270) = ( 0.3214286 0.1420034 1.2027925), wk = 0.0028902 k( 271) = ( 0.3392857 0.1498924 1.1941679), wk = 0.0028902 k( 272) = ( 0.3571429 0.1577815 1.1855432), wk = 0.0028902 k( 273) = ( 0.3750000 0.1656706 1.1769185), wk = 0.0028902 k( 274) = ( 0.3928571 0.1735597 1.1682939), wk = 0.0028902 k( 275) = ( 0.4107143 0.1814488 1.1596692), wk = 0.0028902 k( 276) = ( 0.4285714 0.1893378 1.1510445), wk = 0.0028902 k( 277) = ( 0.4464286 0.1972269 1.1424199), wk = 0.0028902 k( 278) = ( 0.4642857 0.2051160 1.1337952), wk = 0.0028902 k( 279) = ( 0.4821429 0.2130051 1.1251706), wk = 0.0028902 k( 280) = ( 0.5000000 0.2208941 1.1165459), wk = 0.0028902 k( 281) = ( 0.5000000 0.2208941 1.1165459), wk = 0.0028902 k( 282) = ( 0.5000000 0.2208941 1.0946528), wk = 0.0028902 k( 283) = ( 0.5000000 0.2208941 1.0727598), wk = 0.0028902 k( 284) = ( 0.5000000 0.2208941 1.0508667), wk = 0.0028902 k( 285) = ( 0.5000000 0.2208941 1.0289736), wk = 0.0028902 k( 286) = ( 0.5000000 0.2208941 1.0070806), wk = 0.0028902 k( 287) = ( 0.5000000 0.2208941 0.9851875), wk = 0.0028902 k( 288) = ( 0.5000000 0.2208941 0.9632945), wk = 0.0028902 k( 289) = ( 0.5000000 0.2208941 0.9414014), wk = 0.0028902 k( 290) = ( 0.5000000 0.2208941 0.9195084), wk = 0.0028902 k( 291) = ( 0.5000000 0.2208941 0.8976153), wk = 0.0028902 k( 292) = ( 0.5000000 0.2208941 0.8757223), wk = 0.0028902 k( 293) = ( 0.5000000 0.2208941 0.8538292), wk = 0.0028902 k( 294) = ( 0.5000000 0.2208941 0.8319361), wk = 0.0028902 k( 295) = ( 0.5000000 0.2208941 0.8100431), wk = 0.0028902 k( 296) = ( 0.5000000 0.2208941 0.7881500), wk = 0.0028902 k( 297) = ( 0.5000000 0.2208941 0.7662570), wk = 0.0028902 k( 298) = ( 0.5000000 0.2208941 0.7443639), wk = 0.0028902 k( 299) = ( 0.5000000 0.2208941 0.7224709), wk = 0.0028902 k( 300) = ( 0.5000000 0.2208941 0.7005778), wk = 0.0028902 k( 301) = ( 0.5000000 0.2208941 0.6786848), wk = 0.0028902 k( 302) = ( 0.5000000 0.2208941 0.6567917), wk = 0.0028902 k( 303) = ( 0.5000000 0.2208941 0.6348986), wk = 0.0028902 k( 304) = ( 0.5000000 0.2208941 0.6130056), wk = 0.0028902 k( 305) = ( 0.5000000 0.2208941 0.5911125), wk = 0.0028902 k( 306) = ( 0.5000000 0.2208941 0.5692195), wk = 0.0028902 k( 307) = ( 0.5000000 0.2208941 0.5473264), wk = 0.0028902 k( 308) = ( 0.5000000 0.2208941 0.5254333), wk = 0.0028902 k( 309) = ( 0.5000000 0.2208941 0.5035403), wk = 0.0028902 k( 310) = ( 0.5000000 0.2208941 0.4816472), wk = 0.0028902 k( 311) = ( 0.5000000 0.2208941 0.4597542), wk = 0.0028902 k( 312) = ( 0.5000000 0.2208941 0.4378611), wk = 0.0028902 k( 313) = ( 0.5000000 0.2208941 0.4159681), wk = 0.0028902 k( 314) = ( 0.5000000 0.2208941 0.3940750), wk = 0.0028902 k( 315) = ( 0.5000000 0.2208941 0.3721820), wk = 0.0028902 k( 316) = ( 0.5000000 0.2208941 0.3502889), wk = 0.0028902 k( 317) = ( 0.5000000 0.2208941 0.3283958), wk = 0.0028902 k( 318) = ( 0.5000000 0.2208941 0.3065028), wk = 0.0028902 k( 319) = ( 0.5000000 0.2208941 0.2846097), wk = 0.0028902 k( 320) = ( 0.5000000 0.2208941 0.2627167), wk = 0.0028902 k( 321) = ( 0.5000000 0.2208941 0.2408236), wk = 0.0028902 k( 322) = ( 0.5000000 0.2208941 0.2189306), wk = 0.0028902 k( 323) = ( 0.5000000 0.2208941 0.1970375), wk = 0.0028902 k( 324) = ( 0.5000000 0.2208941 0.1751445), wk = 0.0028902 k( 325) = ( 0.5000000 0.2208941 0.1532514), wk = 0.0028902 k( 326) = ( 0.5000000 0.2208941 0.1313583), wk = 0.0028902 k( 327) = ( 0.5000000 0.2208941 0.1094653), wk = 0.0028902 k( 328) = ( 0.5000000 0.2208941 0.0875722), wk = 0.0028902 k( 329) = ( 0.5000000 0.2208941 0.0656792), wk = 0.0028902 k( 330) = ( 0.5000000 0.2208941 0.0437861), wk = 0.0028902 k( 331) = ( 0.5000000 0.2208941 0.0218931), wk = 0.0028902 k( 332) = ( 0.5000000 0.2208941 -0.0000000), wk = 0.0028902 k( 333) = ( 0.0000000 0.0000000 1.2372912), wk = 0.0028902 k( 334) = ( 0.0192308 0.0084959 1.2372912), wk = 0.0028902 k( 335) = ( 0.0384615 0.0169919 1.2372912), wk = 0.0028902 k( 336) = ( 0.0576923 0.0254878 1.2372912), wk = 0.0028902 k( 337) = ( 0.0769231 0.0339837 1.2372912), wk = 0.0028902 k( 338) = ( 0.0961538 0.0424796 1.2372912), wk = 0.0028902 k( 339) = ( 0.1153846 0.0509756 1.2372912), wk = 0.0028902 k( 340) = ( 0.1346154 0.0594715 1.2372912), wk = 0.0028902 k( 341) = ( 0.1538461 0.0679674 1.2372912), wk = 0.0028902 k( 342) = ( 0.1730769 0.0764634 1.2372912), wk = 0.0028902 k( 343) = ( 0.1923077 0.0849593 1.2372912), wk = 0.0028902 k( 344) = ( 0.2115385 0.0934552 1.2372912), wk = 0.0028902 k( 345) = ( 0.2307692 0.1019511 1.2372912), wk = 0.0028902 k( 346) = ( 0.2500000 0.1104471 1.2372912), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0028902 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0028902 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028902 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0028902 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0028902 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028902 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0028902 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0028902 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028902 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0028902 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0028902 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028902 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0028902 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0028902 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028902 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0028902 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0028902 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028902 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028902 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0028902 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028902 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0028902 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0028902 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028902 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0028902 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0028902 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028902 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0028902 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0028902 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028902 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0028902 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0028902 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028902 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0028902 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0028902 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028902 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0028902 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028902 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028902 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0028902 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0028902 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028902 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0028902 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0028902 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028902 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0028902 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0028902 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028902 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0028902 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0028902 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028902 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0028902 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0028902 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028902 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0028902 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0028902 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 60) = ( -0.0081324 0.0081324 0.5000000), wk = 0.0028902 k( 61) = ( -0.0162647 0.0162647 0.5000000), wk = 0.0028902 k( 62) = ( -0.0243971 0.0243971 0.5000000), wk = 0.0028902 k( 63) = ( -0.0325295 0.0325295 0.5000000), wk = 0.0028902 k( 64) = ( -0.0406618 0.0406618 0.5000000), wk = 0.0028902 k( 65) = ( -0.0487942 0.0487942 0.5000000), wk = 0.0028902 k( 66) = ( -0.0487942 0.0487942 0.5000000), wk = 0.0028902 k( 67) = ( -0.0550610 0.0550610 0.4937333), wk = 0.0028902 k( 68) = ( -0.0613277 0.0613277 0.4874665), wk = 0.0028902 k( 69) = ( -0.0675945 0.0675945 0.4811998), wk = 0.0028902 k( 70) = ( -0.0738612 0.0738612 0.4749330), wk = 0.0028902 k( 71) = ( -0.0801280 0.0801280 0.4686663), wk = 0.0028902 k( 72) = ( -0.0863947 0.0863947 0.4623995), wk = 0.0028902 k( 73) = ( -0.0926615 0.0926615 0.4561328), wk = 0.0028902 k( 74) = ( -0.0989282 0.0989282 0.4498660), wk = 0.0028902 k( 75) = ( -0.1051949 0.1051949 0.4435993), wk = 0.0028902 k( 76) = ( -0.1114617 0.1114617 0.4373325), wk = 0.0028902 k( 77) = ( -0.1177284 0.1177284 0.4310658), wk = 0.0028902 k( 78) = ( -0.1239952 0.1239952 0.4247990), wk = 0.0028902 k( 79) = ( -0.1302619 0.1302619 0.4185323), wk = 0.0028902 k( 80) = ( -0.1365287 0.1365287 0.4122655), wk = 0.0028902 k( 81) = ( -0.1427954 0.1427954 0.4059988), wk = 0.0028902 k( 82) = ( -0.1490622 0.1490622 0.3997321), wk = 0.0028902 k( 83) = ( -0.1553289 0.1553289 0.3934653), wk = 0.0028902 k( 84) = ( -0.1615957 0.1615957 0.3871985), wk = 0.0028902 k( 85) = ( -0.1678624 0.1678624 0.3809318), wk = 0.0028902 k( 86) = ( -0.1741292 0.1741292 0.3746651), wk = 0.0028902 k( 87) = ( -0.1803959 0.1803959 0.3683983), wk = 0.0028902 k( 88) = ( -0.1866627 0.1866627 0.3621316), wk = 0.0028902 k( 89) = ( -0.1929294 0.1929294 0.3558648), wk = 0.0028902 k( 90) = ( -0.1991961 0.1991961 0.3495981), wk = 0.0028902 k( 91) = ( -0.2054629 0.2054629 0.3433313), wk = 0.0028902 k( 92) = ( -0.2117296 0.2117296 0.3370646), wk = 0.0028902 k( 93) = ( -0.2179964 0.2179964 0.3307978), wk = 0.0028902 k( 94) = ( -0.2242631 0.2242631 0.3245311), wk = 0.0028902 k( 95) = ( -0.2305299 0.2305299 0.3182643), wk = 0.0028902 k( 96) = ( -0.2367966 0.2367966 0.3119976), wk = 0.0028902 k( 97) = ( -0.2430634 0.2430634 0.3057308), wk = 0.0028902 k( 98) = ( -0.2493301 0.2493301 0.2994641), wk = 0.0028902 k( 99) = ( -0.2555969 0.2555969 0.2931974), wk = 0.0028902 k( 100) = ( -0.2618636 0.2618636 0.2869306), wk = 0.0028902 k( 101) = ( -0.2681304 0.2681304 0.2806639), wk = 0.0028902 k( 102) = ( -0.2743971 0.2743971 0.2743971), wk = 0.0028902 k( 103) = ( -0.2743971 0.2743971 0.2743971), wk = 0.0028902 k( 104) = ( -0.2681608 0.2681608 0.2681608), wk = 0.0028902 k( 105) = ( -0.2619245 0.2619245 0.2619245), wk = 0.0028902 k( 106) = ( -0.2556882 0.2556882 0.2556882), wk = 0.0028902 k( 107) = ( -0.2494519 0.2494519 0.2494519), wk = 0.0028902 k( 108) = ( -0.2432156 0.2432156 0.2432156), wk = 0.0028902 k( 109) = ( -0.2369793 0.2369793 0.2369793), wk = 0.0028902 k( 110) = ( -0.2307430 0.2307430 0.2307430), wk = 0.0028902 k( 111) = ( -0.2245067 0.2245067 0.2245067), wk = 0.0028902 k( 112) = ( -0.2182704 0.2182704 0.2182704), wk = 0.0028902 k( 113) = ( -0.2120341 0.2120341 0.2120341), wk = 0.0028902 k( 114) = ( -0.2057978 0.2057978 0.2057978), wk = 0.0028902 k( 115) = ( -0.1995615 0.1995615 0.1995615), wk = 0.0028902 k( 116) = ( -0.1933252 0.1933252 0.1933252), wk = 0.0028902 k( 117) = ( -0.1870889 0.1870889 0.1870889), wk = 0.0028902 k( 118) = ( -0.1808526 0.1808526 0.1808526), wk = 0.0028902 k( 119) = ( -0.1746163 0.1746163 0.1746163), wk = 0.0028902 k( 120) = ( -0.1683800 0.1683800 0.1683800), wk = 0.0028902 k( 121) = ( -0.1621438 0.1621438 0.1621437), wk = 0.0028902 k( 122) = ( -0.1559075 0.1559075 0.1559074), wk = 0.0028902 k( 123) = ( -0.1496712 0.1496712 0.1496711), wk = 0.0028902 k( 124) = ( -0.1434349 0.1434349 0.1434348), wk = 0.0028902 k( 125) = ( -0.1371986 0.1371986 0.1371985), wk = 0.0028902 k( 126) = ( -0.1309623 0.1309623 0.1309623), wk = 0.0028902 k( 127) = ( -0.1247260 0.1247260 0.1247260), wk = 0.0028902 k( 128) = ( -0.1184897 0.1184897 0.1184897), wk = 0.0028902 k( 129) = ( -0.1122534 0.1122534 0.1122534), wk = 0.0028902 k( 130) = ( -0.1060171 0.1060171 0.1060171), wk = 0.0028902 k( 131) = ( -0.0997808 0.0997808 0.0997808), wk = 0.0028902 k( 132) = ( -0.0935445 0.0935445 0.0935445), wk = 0.0028902 k( 133) = ( -0.0873082 0.0873082 0.0873082), wk = 0.0028902 k( 134) = ( -0.0810719 0.0810719 0.0810719), wk = 0.0028902 k( 135) = ( -0.0748356 0.0748356 0.0748356), wk = 0.0028902 k( 136) = ( -0.0685993 0.0685993 0.0685993), wk = 0.0028902 k( 137) = ( -0.0623630 0.0623630 0.0623630), wk = 0.0028902 k( 138) = ( -0.0561267 0.0561267 0.0561267), wk = 0.0028902 k( 139) = ( -0.0498904 0.0498904 0.0498904), wk = 0.0028902 k( 140) = ( -0.0436541 0.0436541 0.0436541), wk = 0.0028902 k( 141) = ( -0.0374178 0.0374178 0.0374178), wk = 0.0028902 k( 142) = ( -0.0311815 0.0311815 0.0311815), wk = 0.0028902 k( 143) = ( -0.0249452 0.0249452 0.0249452), wk = 0.0028902 k( 144) = ( -0.0187089 0.0187089 0.0187089), wk = 0.0028902 k( 145) = ( -0.0124726 0.0124726 0.0124726), wk = 0.0028902 k( 146) = ( -0.0062363 0.0062363 0.0062363), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 149) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0028902 k( 150) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0028902 k( 151) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0028902 k( 152) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0028902 k( 153) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0028902 k( 154) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0028902 k( 155) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0028902 k( 156) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0028902 k( 157) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0028902 k( 158) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0028902 k( 159) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0028902 k( 160) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0028902 k( 161) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0028902 k( 162) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0028902 k( 163) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0028902 k( 164) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0028902 k( 165) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0028902 k( 166) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0028902 k( 167) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0028902 k( 168) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0028902 k( 169) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0028902 k( 170) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0028902 k( 171) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0028902 k( 172) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0028902 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028902 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028902 k( 175) = ( 0.4937333 0.5062667 -0.4937333), wk = 0.0028902 k( 176) = ( 0.4874665 0.5125335 -0.4874665), wk = 0.0028902 k( 177) = ( 0.4811998 0.5188002 -0.4811998), wk = 0.0028902 k( 178) = ( 0.4749330 0.5250670 -0.4749330), wk = 0.0028902 k( 179) = ( 0.4686663 0.5313337 -0.4686663), wk = 0.0028902 k( 180) = ( 0.4623995 0.5376005 -0.4623995), wk = 0.0028902 k( 181) = ( 0.4561328 0.5438672 -0.4561328), wk = 0.0028902 k( 182) = ( 0.4498660 0.5501340 -0.4498660), wk = 0.0028902 k( 183) = ( 0.4435993 0.5564007 -0.4435993), wk = 0.0028902 k( 184) = ( 0.4373325 0.5626675 -0.4373325), wk = 0.0028902 k( 185) = ( 0.4310658 0.5689342 -0.4310658), wk = 0.0028902 k( 186) = ( 0.4247990 0.5752010 -0.4247990), wk = 0.0028902 k( 187) = ( 0.4185323 0.5814677 -0.4185323), wk = 0.0028902 k( 188) = ( 0.4122655 0.5877345 -0.4122655), wk = 0.0028902 k( 189) = ( 0.4059988 0.5940012 -0.4059988), wk = 0.0028902 k( 190) = ( 0.3997321 0.6002680 -0.3997321), wk = 0.0028902 k( 191) = ( 0.3934653 0.6065347 -0.3934653), wk = 0.0028902 k( 192) = ( 0.3871985 0.6128014 -0.3871985), wk = 0.0028902 k( 193) = ( 0.3809318 0.6190682 -0.3809318), wk = 0.0028902 k( 194) = ( 0.3746651 0.6253349 -0.3746651), wk = 0.0028902 k( 195) = ( 0.3683983 0.6316017 -0.3683983), wk = 0.0028902 k( 196) = ( 0.3621316 0.6378684 -0.3621316), wk = 0.0028902 k( 197) = ( 0.3558648 0.6441352 -0.3558648), wk = 0.0028902 k( 198) = ( 0.3495981 0.6504019 -0.3495981), wk = 0.0028902 k( 199) = ( 0.3433313 0.6566687 -0.3433313), wk = 0.0028902 k( 200) = ( 0.3370646 0.6629354 -0.3370646), wk = 0.0028902 k( 201) = ( 0.3307978 0.6692022 -0.3307978), wk = 0.0028902 k( 202) = ( 0.3245311 0.6754689 -0.3245311), wk = 0.0028902 k( 203) = ( 0.3182643 0.6817357 -0.3182643), wk = 0.0028902 k( 204) = ( 0.3119976 0.6880024 -0.3119976), wk = 0.0028902 k( 205) = ( 0.3057308 0.6942692 -0.3057308), wk = 0.0028902 k( 206) = ( 0.2994641 0.7005359 -0.2994641), wk = 0.0028902 k( 207) = ( 0.2931974 0.7068026 -0.2931974), wk = 0.0028902 k( 208) = ( 0.2869306 0.7130694 -0.2869306), wk = 0.0028902 k( 209) = ( 0.2806639 0.7193361 -0.2806639), wk = 0.0028902 k( 210) = ( 0.2743971 0.7256029 -0.2743971), wk = 0.0028902 k( 211) = ( 0.2743971 0.7256029 -0.2743971), wk = 0.0028902 k( 212) = ( 0.2532896 0.7082488 -0.2532896), wk = 0.0028902 k( 213) = ( 0.2321822 0.6908948 -0.2321822), wk = 0.0028902 k( 214) = ( 0.2110747 0.6735407 -0.2110747), wk = 0.0028902 k( 215) = ( 0.1899672 0.6561866 -0.1899672), wk = 0.0028902 k( 216) = ( 0.1688598 0.6388326 -0.1688598), wk = 0.0028902 k( 217) = ( 0.1477523 0.6214785 -0.1477523), wk = 0.0028902 k( 218) = ( 0.1266448 0.6041244 -0.1266448), wk = 0.0028902 k( 219) = ( 0.1055374 0.5867703 -0.1055374), wk = 0.0028902 k( 220) = ( 0.0844299 0.5694163 -0.0844299), wk = 0.0028902 k( 221) = ( 0.0633224 0.5520622 -0.0633224), wk = 0.0028902 k( 222) = ( 0.0422149 0.5347081 -0.0422149), wk = 0.0028902 k( 223) = ( 0.0211075 0.5173541 -0.0211075), wk = 0.0028902 k( 224) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 226) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0028902 k( 227) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0028902 k( 228) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0028902 k( 229) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0028902 k( 230) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0028902 k( 231) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0028902 k( 232) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0028902 k( 233) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0028902 k( 234) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0028902 k( 235) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0028902 k( 236) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0028902 k( 237) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0028902 k( 238) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0028902 k( 239) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0028902 k( 240) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0028902 k( 241) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0028902 k( 242) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0028902 k( 243) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0028902 k( 244) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0028902 k( 245) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028902 k( 246) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0028902 k( 247) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0028902 k( 248) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0028902 k( 249) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0028902 k( 250) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0028902 k( 251) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0028902 k( 252) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0028902 k( 253) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0028902 k( 254) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0028902 k( 255) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0028902 k( 256) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0028902 k( 257) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0028902 k( 258) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0028902 k( 259) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0028902 k( 260) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0028902 k( 261) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0028902 k( 262) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0028902 k( 263) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0028902 k( 264) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0028902 k( 265) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028902 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028902 k( 267) = ( 0.2678571 0.2678571 0.2286576), wk = 0.0028902 k( 268) = ( 0.2857143 0.2857143 0.2073151), wk = 0.0028902 k( 269) = ( 0.3035714 0.3035714 0.1859727), wk = 0.0028902 k( 270) = ( 0.3214286 0.3214286 0.1646302), wk = 0.0028902 k( 271) = ( 0.3392857 0.3392857 0.1432878), wk = 0.0028902 k( 272) = ( 0.3571429 0.3571429 0.1219453), wk = 0.0028902 k( 273) = ( 0.3750000 0.3750000 0.1006029), wk = 0.0028902 k( 274) = ( 0.3928571 0.3928571 0.0792604), wk = 0.0028902 k( 275) = ( 0.4107143 0.4107143 0.0579180), wk = 0.0028902 k( 276) = ( 0.4285714 0.4285714 0.0365756), wk = 0.0028902 k( 277) = ( 0.4464286 0.4464286 0.0152331), wk = 0.0028902 k( 278) = ( 0.4642857 0.4642857 -0.0061093), wk = 0.0028902 k( 279) = ( 0.4821429 0.4821429 -0.0274518), wk = 0.0028902 k( 280) = ( 0.5000000 0.5000000 -0.0487942), wk = 0.0028902 k( 281) = ( 0.5000000 0.5000000 -0.0487942), wk = 0.0028902 k( 282) = ( 0.5000000 0.5000000 -0.0576414), wk = 0.0028902 k( 283) = ( 0.5000000 0.5000000 -0.0664886), wk = 0.0028902 k( 284) = ( 0.5000000 0.5000000 -0.0753357), wk = 0.0028902 k( 285) = ( 0.5000000 0.5000000 -0.0841829), wk = 0.0028902 k( 286) = ( 0.5000000 0.5000000 -0.0930301), wk = 0.0028902 k( 287) = ( 0.5000000 0.5000000 -0.1018772), wk = 0.0028902 k( 288) = ( 0.5000000 0.5000000 -0.1107244), wk = 0.0028902 k( 289) = ( 0.5000000 0.5000000 -0.1195716), wk = 0.0028902 k( 290) = ( 0.5000000 0.5000000 -0.1284188), wk = 0.0028902 k( 291) = ( 0.5000000 0.5000000 -0.1372659), wk = 0.0028902 k( 292) = ( 0.5000000 0.5000000 -0.1461131), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 -0.1549603), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 -0.1638075), wk = 0.0028902 k( 295) = ( 0.5000000 0.5000000 -0.1726546), wk = 0.0028902 k( 296) = ( 0.5000000 0.5000000 -0.1815018), wk = 0.0028902 k( 297) = ( 0.5000000 0.5000000 -0.1903490), wk = 0.0028902 k( 298) = ( 0.5000000 0.5000000 -0.1991961), wk = 0.0028902 k( 299) = ( 0.5000000 0.5000000 -0.2080433), wk = 0.0028902 k( 300) = ( 0.5000000 0.5000000 -0.2168905), wk = 0.0028902 k( 301) = ( 0.5000000 0.5000000 -0.2257377), wk = 0.0028902 k( 302) = ( 0.5000000 0.5000000 -0.2345848), wk = 0.0028902 k( 303) = ( 0.5000000 0.5000000 -0.2434320), wk = 0.0028902 k( 304) = ( 0.5000000 0.5000000 -0.2522792), wk = 0.0028902 k( 305) = ( 0.5000000 0.5000000 -0.2611263), wk = 0.0028902 k( 306) = ( 0.5000000 0.5000000 -0.2699735), wk = 0.0028902 k( 307) = ( 0.5000000 0.5000000 -0.2788207), wk = 0.0028902 k( 308) = ( 0.5000000 0.5000000 -0.2876679), wk = 0.0028902 k( 309) = ( 0.5000000 0.5000000 -0.2965150), wk = 0.0028902 k( 310) = ( 0.5000000 0.5000000 -0.3053622), wk = 0.0028902 k( 311) = ( 0.5000000 0.5000000 -0.3142094), wk = 0.0028902 k( 312) = ( 0.5000000 0.5000000 -0.3230566), wk = 0.0028902 k( 313) = ( 0.5000000 0.5000000 -0.3319037), wk = 0.0028902 k( 314) = ( 0.5000000 0.5000000 -0.3407509), wk = 0.0028902 k( 315) = ( 0.5000000 0.5000000 -0.3495981), wk = 0.0028902 k( 316) = ( 0.5000000 0.5000000 -0.3584452), wk = 0.0028902 k( 317) = ( 0.5000000 0.5000000 -0.3672924), wk = 0.0028902 k( 318) = ( 0.5000000 0.5000000 -0.3761396), wk = 0.0028902 k( 319) = ( 0.5000000 0.5000000 -0.3849868), wk = 0.0028902 k( 320) = ( 0.5000000 0.5000000 -0.3938339), wk = 0.0028902 k( 321) = ( 0.5000000 0.5000000 -0.4026811), wk = 0.0028902 k( 322) = ( 0.5000000 0.5000000 -0.4115283), wk = 0.0028902 k( 323) = ( 0.5000000 0.5000000 -0.4203754), wk = 0.0028902 k( 324) = ( 0.5000000 0.5000000 -0.4292226), wk = 0.0028902 k( 325) = ( 0.5000000 0.5000000 -0.4380698), wk = 0.0028902 k( 326) = ( 0.5000000 0.5000000 -0.4469170), wk = 0.0028902 k( 327) = ( 0.5000000 0.5000000 -0.4557641), wk = 0.0028902 k( 328) = ( 0.5000000 0.5000000 -0.4646113), wk = 0.0028902 k( 329) = ( 0.5000000 0.5000000 -0.4734585), wk = 0.0028902 k( 330) = ( 0.5000000 0.5000000 -0.4823057), wk = 0.0028902 k( 331) = ( 0.5000000 0.5000000 -0.4911528), wk = 0.0028902 k( 332) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028902 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 334) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0028902 k( 335) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0028902 k( 336) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0028902 k( 337) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0028902 k( 338) = ( 0.0961538 0.0961539 0.4038461), wk = 0.0028902 k( 339) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0028902 k( 340) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0028902 k( 341) = ( 0.1538461 0.1538461 0.3461539), wk = 0.0028902 k( 342) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0028902 k( 343) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0028902 k( 344) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0028902 k( 345) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0028902 k( 346) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028902 Dense grid: 64785 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 472, 64) NL pseudopotentials 0.47 Mb ( 236, 131) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1799) G-vector shells 0.01 Mb ( 831) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.84 Mb ( 472, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.26 Mb ( 131, 2, 64) The potential is recalculated from file : ./BaxCoAsx2.save/charge-density.dat Starting wfc are 66 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 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.2 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.0 secs Computing kpt #: 7 total cpu time spent up to now is 12.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.2 secs Computing kpt #: 10 total cpu time spent up to now is 16.6 secs Computing kpt #: 11 total cpu time spent up to now is 18.0 secs Computing kpt #: 12 total cpu time spent up to now is 19.4 secs Computing kpt #: 13 total cpu time spent up to now is 20.8 secs Computing kpt #: 14 total cpu time spent up to now is 22.2 secs Computing kpt #: 15 total cpu time spent up to now is 23.5 secs Computing kpt #: 16 total cpu time spent up to now is 24.9 secs Computing kpt #: 17 total cpu time spent up to now is 26.3 secs Computing kpt #: 18 total cpu time spent up to now is 27.6 secs Computing kpt #: 19 total cpu time spent up to now is 29.0 secs Computing kpt #: 20 total cpu time spent up to now is 30.3 secs Computing kpt #: 21 total cpu time spent up to now is 31.6 secs Computing kpt #: 22 total cpu time spent up to now is 33.0 secs Computing kpt #: 23 total cpu time spent up to now is 34.3 secs Computing kpt #: 24 total cpu time spent up to now is 35.7 secs Computing kpt #: 25 total cpu time spent up to now is 37.1 secs Computing kpt #: 26 total cpu time spent up to now is 38.4 secs Computing kpt #: 27 total cpu time spent up to now is 39.8 secs Computing kpt #: 28 total cpu time spent up to now is 41.2 secs Computing kpt #: 29 total cpu time spent up to now is 42.7 secs Computing kpt #: 30 total cpu time spent up to now is 44.1 secs Computing kpt #: 31 total cpu time spent up to now is 45.5 secs Computing kpt #: 32 total cpu time spent up to now is 47.0 secs Computing kpt #: 33 total cpu time spent up to now is 48.4 secs Computing kpt #: 34 total cpu time spent up to now is 49.8 secs Computing kpt #: 35 total cpu time spent up to now is 51.2 secs Computing kpt #: 36 total cpu time spent up to now is 52.6 secs Computing kpt #: 37 total cpu time spent up to now is 54.0 secs Computing kpt #: 38 total cpu time spent up to now is 55.4 secs Computing kpt #: 39 total cpu time spent up to now is 56.8 secs Computing kpt #: 40 total cpu time spent up to now is 58.2 secs Computing kpt #: 41 total cpu time spent up to now is 59.7 secs Computing kpt #: 42 total cpu time spent up to now is 61.2 secs Computing kpt #: 43 total cpu time spent up to now is 62.6 secs Computing kpt #: 44 total cpu time spent up to now is 64.1 secs Computing kpt #: 45 total cpu time spent up to now is 65.5 secs Computing kpt #: 46 total cpu time spent up to now is 67.0 secs Computing kpt #: 47 total cpu time spent up to now is 68.4 secs Computing kpt #: 48 total cpu time spent up to now is 69.9 secs Computing kpt #: 49 total cpu time spent up to now is 71.3 secs Computing kpt #: 50 total cpu time spent up to now is 72.7 secs Computing kpt #: 51 total cpu time spent up to now is 74.0 secs Computing kpt #: 52 total cpu time spent up to now is 75.4 secs Computing kpt #: 53 total cpu time spent up to now is 76.7 secs Computing kpt #: 54 total cpu time spent up to now is 78.1 secs Computing kpt #: 55 total cpu time spent up to now is 79.4 secs Computing kpt #: 56 total cpu time spent up to now is 80.7 secs Computing kpt #: 57 total cpu time spent up to now is 82.0 secs Computing kpt #: 58 total cpu time spent up to now is 83.3 secs Computing kpt #: 59 total cpu time spent up to now is 84.6 secs Computing kpt #: 60 total cpu time spent up to now is 85.9 secs Computing kpt #: 61 total cpu time spent up to now is 87.3 secs Computing kpt #: 62 total cpu time spent up to now is 88.6 secs Computing kpt #: 63 total cpu time spent up to now is 89.9 secs Computing kpt #: 64 total cpu time spent up to now is 91.3 secs Computing kpt #: 65 total cpu time spent up to now is 92.6 secs Computing kpt #: 66 total cpu time spent up to now is 94.0 secs Computing kpt #: 67 total cpu time spent up to now is 95.4 secs Computing kpt #: 68 total cpu time spent up to now is 96.7 secs Computing kpt #: 69 total cpu time spent up to now is 98.1 secs Computing kpt #: 70 total cpu time spent up to now is 99.8 secs Computing kpt #: 71 total cpu time spent up to now is 101.2 secs Computing kpt #: 72 total cpu time spent up to now is 102.6 secs Computing kpt #: 73 total cpu time spent up to now is 104.0 secs Computing kpt #: 74 total cpu time spent up to now is 105.4 secs Computing kpt #: 75 total cpu time spent up to now is 106.7 secs Computing kpt #: 76 total cpu time spent up to now is 108.1 secs Computing kpt #: 77 total cpu time spent up to now is 109.5 secs Computing kpt #: 78 total cpu time spent up to now is 110.9 secs Computing kpt #: 79 total cpu time spent up to now is 112.2 secs Computing kpt #: 80 total cpu time spent up to now is 113.6 secs Computing kpt #: 81 total cpu time spent up to now is 115.0 secs Computing kpt #: 82 total cpu time spent up to now is 116.4 secs Computing kpt #: 83 total cpu time spent up to now is 117.9 secs Computing kpt #: 84 total cpu time spent up to now is 119.5 secs Computing kpt #: 85 total cpu time spent up to now is 120.9 secs Computing kpt #: 86 total cpu time spent up to now is 122.3 secs Computing kpt #: 87 total cpu time spent up to now is 123.7 secs Computing kpt #: 88 total cpu time spent up to now is 125.1 secs Computing kpt #: 89 total cpu time spent up to now is 126.5 secs Computing kpt #: 90 total cpu time spent up to now is 127.9 secs Computing kpt #: 91 total cpu time spent up to now is 129.3 secs Computing kpt #: 92 total cpu time spent up to now is 130.8 secs Computing kpt #: 93 total cpu time spent up to now is 132.2 secs Computing kpt #: 94 total cpu time spent up to now is 133.7 secs Computing kpt #: 95 total cpu time spent up to now is 135.1 secs Computing kpt #: 96 total cpu time spent up to now is 136.6 secs Computing kpt #: 97 total cpu time spent up to now is 138.0 secs Computing kpt #: 98 total cpu time spent up to now is 139.4 secs Computing kpt #: 99 total cpu time spent up to now is 140.8 secs Computing kpt #: 100 total cpu time spent up to now is 142.2 secs Computing kpt #: 101 total cpu time spent up to now is 143.6 secs Computing kpt #: 102 total cpu time spent up to now is 144.9 secs Computing kpt #: 103 total cpu time spent up to now is 146.3 secs Computing kpt #: 104 total cpu time spent up to now is 147.6 secs Computing kpt #: 105 total cpu time spent up to now is 149.0 secs Computing kpt #: 106 total cpu time spent up to now is 150.3 secs Computing kpt #: 107 total cpu time spent up to now is 151.7 secs Computing kpt #: 108 total cpu time spent up to now is 153.1 secs Computing kpt #: 109 total cpu time spent up to now is 154.5 secs Computing kpt #: 110 total cpu time spent up to now is 155.8 secs Computing kpt #: 111 total cpu time spent up to now is 157.2 secs Computing kpt #: 112 total cpu time spent up to now is 158.6 secs Computing kpt #: 113 total cpu time spent up to now is 159.9 secs Computing kpt #: 114 total cpu time spent up to now is 161.3 secs Computing kpt #: 115 total cpu time spent up to now is 162.7 secs Computing kpt #: 116 total cpu time spent up to now is 164.1 secs Computing kpt #: 117 total cpu time spent up to now is 165.5 secs Computing kpt #: 118 total cpu time spent up to now is 166.9 secs Computing kpt #: 119 total cpu time spent up to now is 168.3 secs Computing kpt #: 120 total cpu time spent up to now is 169.7 secs Computing kpt #: 121 total cpu time spent up to now is 171.2 secs Computing kpt #: 122 total cpu time spent up to now is 172.6 secs Computing kpt #: 123 total cpu time spent up to now is 174.0 secs Computing kpt #: 124 total cpu time spent up to now is 175.5 secs Computing kpt #: 125 total cpu time spent up to now is 177.0 secs Computing kpt #: 126 total cpu time spent up to now is 178.4 secs Computing kpt #: 127 total cpu time spent up to now is 179.9 secs Computing kpt #: 128 total cpu time spent up to now is 181.4 secs Computing kpt #: 129 total cpu time spent up to now is 182.9 secs Computing kpt #: 130 total cpu time spent up to now is 184.4 secs Computing kpt #: 131 total cpu time spent up to now is 185.9 secs Computing kpt #: 132 total cpu time spent up to now is 187.3 secs Computing kpt #: 133 total cpu time spent up to now is 188.8 secs Computing kpt #: 134 total cpu time spent up to now is 190.3 secs Computing kpt #: 135 total cpu time spent up to now is 191.7 secs Computing kpt #: 136 total cpu time spent up to now is 193.1 secs Computing kpt #: 137 total cpu time spent up to now is 194.6 secs Computing kpt #: 138 total cpu time spent up to now is 196.0 secs Computing kpt #: 139 total cpu time spent up to now is 197.4 secs Computing kpt #: 140 total cpu time spent up to now is 198.9 secs Computing kpt #: 141 total cpu time spent up to now is 200.3 secs Computing kpt #: 142 total cpu time spent up to now is 201.7 secs Computing kpt #: 143 total cpu time spent up to now is 203.1 secs Computing kpt #: 144 total cpu time spent up to now is 204.5 secs Computing kpt #: 145 total cpu time spent up to now is 205.9 secs Computing kpt #: 146 total cpu time spent up to now is 207.3 secs Computing kpt #: 147 total cpu time spent up to now is 208.8 secs Computing kpt #: 148 total cpu time spent up to now is 210.2 secs Computing kpt #: 149 total cpu time spent up to now is 211.6 secs Computing kpt #: 150 total cpu time spent up to now is 213.0 secs Computing kpt #: 151 total cpu time spent up to now is 214.4 secs Computing kpt #: 152 total cpu time spent up to now is 215.8 secs Computing kpt #: 153 total cpu time spent up to now is 217.2 secs Computing kpt #: 154 total cpu time spent up to now is 218.6 secs Computing kpt #: 155 total cpu time spent up to now is 220.0 secs Computing kpt #: 156 total cpu time spent up to now is 221.4 secs Computing kpt #: 157 total cpu time spent up to now is 222.8 secs Computing kpt #: 158 total cpu time spent up to now is 224.2 secs Computing kpt #: 159 total cpu time spent up to now is 225.6 secs Computing kpt #: 160 total cpu time spent up to now is 227.0 secs Computing kpt #: 161 total cpu time spent up to now is 228.5 secs Computing kpt #: 162 total cpu time spent up to now is 229.9 secs Computing kpt #: 163 total cpu time spent up to now is 231.3 secs Computing kpt #: 164 total cpu time spent up to now is 232.7 secs Computing kpt #: 165 total cpu time spent up to now is 234.1 secs Computing kpt #: 166 total cpu time spent up to now is 235.4 secs Computing kpt #: 167 total cpu time spent up to now is 236.8 secs Computing kpt #: 168 total cpu time spent up to now is 238.2 secs Computing kpt #: 169 total cpu time spent up to now is 239.5 secs Computing kpt #: 170 total cpu time spent up to now is 240.8 secs Computing kpt #: 171 total cpu time spent up to now is 242.1 secs Computing kpt #: 172 total cpu time spent up to now is 243.5 secs Computing kpt #: 173 total cpu time spent up to now is 244.8 secs Computing kpt #: 174 total cpu time spent up to now is 246.1 secs Computing kpt #: 175 total cpu time spent up to now is 247.3 secs Computing kpt #: 176 total cpu time spent up to now is 248.7 secs Computing kpt #: 177 total cpu time spent up to now is 250.0 secs Computing kpt #: 178 total cpu time spent up to now is 251.3 secs Computing kpt #: 179 total cpu time spent up to now is 252.7 secs Computing kpt #: 180 total cpu time spent up to now is 254.1 secs Computing kpt #: 181 total cpu time spent up to now is 255.4 secs Computing kpt #: 182 total cpu time spent up to now is 256.8 secs Computing kpt #: 183 total cpu time spent up to now is 258.2 secs Computing kpt #: 184 total cpu time spent up to now is 259.6 secs Computing kpt #: 185 total cpu time spent up to now is 261.0 secs Computing kpt #: 186 total cpu time spent up to now is 262.4 secs Computing kpt #: 187 total cpu time spent up to now is 263.8 secs Computing kpt #: 188 total cpu time spent up to now is 265.2 secs Computing kpt #: 189 total cpu time spent up to now is 266.6 secs Computing kpt #: 190 total cpu time spent up to now is 268.0 secs Computing kpt #: 191 total cpu time spent up to now is 269.4 secs Computing kpt #: 192 total cpu time spent up to now is 270.8 secs Computing kpt #: 193 total cpu time spent up to now is 272.2 secs Computing kpt #: 194 total cpu time spent up to now is 273.6 secs Computing kpt #: 195 total cpu time spent up to now is 275.0 secs Computing kpt #: 196 total cpu time spent up to now is 276.4 secs Computing kpt #: 197 total cpu time spent up to now is 277.8 secs Computing kpt #: 198 total cpu time spent up to now is 279.3 secs Computing kpt #: 199 total cpu time spent up to now is 280.7 secs Computing kpt #: 200 total cpu time spent up to now is 282.1 secs Computing kpt #: 201 total cpu time spent up to now is 283.4 secs Computing kpt #: 202 total cpu time spent up to now is 284.8 secs Computing kpt #: 203 total cpu time spent up to now is 286.1 secs Computing kpt #: 204 total cpu time spent up to now is 287.5 secs Computing kpt #: 205 total cpu time spent up to now is 288.9 secs Computing kpt #: 206 total cpu time spent up to now is 290.2 secs Computing kpt #: 207 total cpu time spent up to now is 291.6 secs Computing kpt #: 208 total cpu time spent up to now is 292.9 secs Computing kpt #: 209 total cpu time spent up to now is 294.3 secs Computing kpt #: 210 total cpu time spent up to now is 295.6 secs Computing kpt #: 211 total cpu time spent up to now is 297.0 secs Computing kpt #: 212 total cpu time spent up to now is 298.4 secs Computing kpt #: 213 total cpu time spent up to now is 299.7 secs Computing kpt #: 214 total cpu time spent up to now is 301.1 secs Computing kpt #: 215 total cpu time spent up to now is 302.5 secs Computing kpt #: 216 total cpu time spent up to now is 303.9 secs Computing kpt #: 217 total cpu time spent up to now is 305.2 secs Computing kpt #: 218 total cpu time spent up to now is 306.6 secs Computing kpt #: 219 total cpu time spent up to now is 308.0 secs Computing kpt #: 220 total cpu time spent up to now is 309.4 secs Computing kpt #: 221 total cpu time spent up to now is 310.8 secs Computing kpt #: 222 total cpu time spent up to now is 312.2 secs Computing kpt #: 223 total cpu time spent up to now is 313.5 secs Computing kpt #: 224 total cpu time spent up to now is 314.9 secs Computing kpt #: 225 total cpu time spent up to now is 316.2 secs Computing kpt #: 226 total cpu time spent up to now is 317.6 secs Computing kpt #: 227 total cpu time spent up to now is 319.0 secs Computing kpt #: 228 total cpu time spent up to now is 320.4 secs Computing kpt #: 229 total cpu time spent up to now is 321.8 secs Computing kpt #: 230 total cpu time spent up to now is 323.3 secs Computing kpt #: 231 total cpu time spent up to now is 324.7 secs Computing kpt #: 232 total cpu time spent up to now is 326.2 secs Computing kpt #: 233 total cpu time spent up to now is 327.7 secs Computing kpt #: 234 total cpu time spent up to now is 329.2 secs Computing kpt #: 235 total cpu time spent up to now is 330.7 secs Computing kpt #: 236 total cpu time spent up to now is 332.2 secs Computing kpt #: 237 total cpu time spent up to now is 333.7 secs Computing kpt #: 238 total cpu time spent up to now is 335.1 secs Computing kpt #: 239 total cpu time spent up to now is 336.6 secs Computing kpt #: 240 total cpu time spent up to now is 338.0 secs Computing kpt #: 241 total cpu time spent up to now is 339.5 secs Computing kpt #: 242 total cpu time spent up to now is 340.9 secs Computing kpt #: 243 total cpu time spent up to now is 342.3 secs Computing kpt #: 244 total cpu time spent up to now is 343.7 secs Computing kpt #: 245 total cpu time spent up to now is 345.1 secs Computing kpt #: 246 total cpu time spent up to now is 346.5 secs Computing kpt #: 247 total cpu time spent up to now is 347.9 secs Computing kpt #: 248 total cpu time spent up to now is 349.4 secs Computing kpt #: 249 total cpu time spent up to now is 350.8 secs Computing kpt #: 250 total cpu time spent up to now is 352.3 secs Computing kpt #: 251 total cpu time spent up to now is 353.7 secs Computing kpt #: 252 total cpu time spent up to now is 355.2 secs Computing kpt #: 253 total cpu time spent up to now is 356.7 secs Computing kpt #: 254 total cpu time spent up to now is 358.1 secs Computing kpt #: 255 total cpu time spent up to now is 359.6 secs Computing kpt #: 256 total cpu time spent up to now is 361.1 secs Computing kpt #: 257 total cpu time spent up to now is 362.5 secs Computing kpt #: 258 total cpu time spent up to now is 364.0 secs Computing kpt #: 259 total cpu time spent up to now is 365.4 secs Computing kpt #: 260 total cpu time spent up to now is 366.8 secs Computing kpt #: 261 total cpu time spent up to now is 368.3 secs Computing kpt #: 262 total cpu time spent up to now is 369.7 secs Computing kpt #: 263 total cpu time spent up to now is 371.2 secs Computing kpt #: 264 total cpu time spent up to now is 372.6 secs Computing kpt #: 265 total cpu time spent up to now is 374.0 secs Computing kpt #: 266 total cpu time spent up to now is 375.4 secs Computing kpt #: 267 total cpu time spent up to now is 376.8 secs Computing kpt #: 268 total cpu time spent up to now is 378.5 secs Computing kpt #: 269 total cpu time spent up to now is 380.0 secs Computing kpt #: 270 total cpu time spent up to now is 381.4 secs Computing kpt #: 271 total cpu time spent up to now is 382.8 secs Computing kpt #: 272 total cpu time spent up to now is 384.2 secs Computing kpt #: 273 total cpu time spent up to now is 385.6 secs Computing kpt #: 274 total cpu time spent up to now is 387.0 secs Computing kpt #: 275 total cpu time spent up to now is 388.3 secs Computing kpt #: 276 total cpu time spent up to now is 389.7 secs Computing kpt #: 277 total cpu time spent up to now is 391.0 secs Computing kpt #: 278 total cpu time spent up to now is 392.4 secs Computing kpt #: 279 total cpu time spent up to now is 393.8 secs Computing kpt #: 280 total cpu time spent up to now is 395.1 secs Computing kpt #: 281 total cpu time spent up to now is 396.4 secs Computing kpt #: 282 total cpu time spent up to now is 397.8 secs Computing kpt #: 283 total cpu time spent up to now is 399.2 secs Computing kpt #: 284 total cpu time spent up to now is 400.9 secs Computing kpt #: 285 total cpu time spent up to now is 402.3 secs Computing kpt #: 286 total cpu time spent up to now is 403.7 secs Computing kpt #: 287 total cpu time spent up to now is 405.0 secs Computing kpt #: 288 total cpu time spent up to now is 406.4 secs Computing kpt #: 289 total cpu time spent up to now is 407.7 secs Computing kpt #: 290 total cpu time spent up to now is 409.0 secs Computing kpt #: 291 total cpu time spent up to now is 410.4 secs Computing kpt #: 292 total cpu time spent up to now is 411.7 secs Computing kpt #: 293 total cpu time spent up to now is 413.0 secs Computing kpt #: 294 total cpu time spent up to now is 414.4 secs Computing kpt #: 295 total cpu time spent up to now is 415.7 secs Computing kpt #: 296 total cpu time spent up to now is 417.0 secs Computing kpt #: 297 total cpu time spent up to now is 418.6 secs Computing kpt #: 298 total cpu time spent up to now is 420.0 secs Computing kpt #: 299 total cpu time spent up to now is 421.4 secs Computing kpt #: 300 total cpu time spent up to now is 422.7 secs Computing kpt #: 301 total cpu time spent up to now is 424.0 secs Computing kpt #: 302 total cpu time spent up to now is 425.4 secs Computing kpt #: 303 total cpu time spent up to now is 426.7 secs Computing kpt #: 304 total cpu time spent up to now is 428.0 secs Computing kpt #: 305 total cpu time spent up to now is 429.3 secs Computing kpt #: 306 total cpu time spent up to now is 430.7 secs Computing kpt #: 307 total cpu time spent up to now is 432.0 secs Computing kpt #: 308 total cpu time spent up to now is 433.4 secs Computing kpt #: 309 total cpu time spent up to now is 434.8 secs Computing kpt #: 310 total cpu time spent up to now is 436.1 secs Computing kpt #: 311 total cpu time spent up to now is 437.5 secs Computing kpt #: 312 total cpu time spent up to now is 438.9 secs Computing kpt #: 313 total cpu time spent up to now is 440.3 secs Computing kpt #: 314 total cpu time spent up to now is 441.8 secs Computing kpt #: 315 total cpu time spent up to now is 443.2 secs Computing kpt #: 316 total cpu time spent up to now is 444.6 secs Computing kpt #: 317 total cpu time spent up to now is 446.0 secs Computing kpt #: 318 total cpu time spent up to now is 447.4 secs Computing kpt #: 319 total cpu time spent up to now is 448.9 secs Computing kpt #: 320 total cpu time spent up to now is 450.3 secs Computing kpt #: 321 total cpu time spent up to now is 451.8 secs Computing kpt #: 322 total cpu time spent up to now is 453.2 secs Computing kpt #: 323 total cpu time spent up to now is 454.7 secs Computing kpt #: 324 total cpu time spent up to now is 456.1 secs Computing kpt #: 325 total cpu time spent up to now is 457.5 secs Computing kpt #: 326 total cpu time spent up to now is 458.9 secs Computing kpt #: 327 total cpu time spent up to now is 460.3 secs Computing kpt #: 328 total cpu time spent up to now is 461.7 secs Computing kpt #: 329 total cpu time spent up to now is 463.0 secs Computing kpt #: 330 total cpu time spent up to now is 464.3 secs Computing kpt #: 331 total cpu time spent up to now is 465.6 secs Computing kpt #: 332 total cpu time spent up to now is 466.9 secs Computing kpt #: 333 total cpu time spent up to now is 468.2 secs Computing kpt #: 334 total cpu time spent up to now is 469.5 secs Computing kpt #: 335 total cpu time spent up to now is 470.8 secs Computing kpt #: 336 total cpu time spent up to now is 472.2 secs Computing kpt #: 337 total cpu time spent up to now is 473.5 secs Computing kpt #: 338 total cpu time spent up to now is 474.8 secs Computing kpt #: 339 total cpu time spent up to now is 476.2 secs Computing kpt #: 340 total cpu time spent up to now is 477.6 secs Computing kpt #: 341 total cpu time spent up to now is 478.9 secs Computing kpt #: 342 total cpu time spent up to now is 480.3 secs Computing kpt #: 343 total cpu time spent up to now is 481.8 secs Computing kpt #: 344 total cpu time spent up to now is 483.5 secs Computing kpt #: 345 total cpu time spent up to now is 485.2 secs Computing kpt #: 346 total cpu time spent up to now is 486.6 secs ethr = 1.85E-08, avg # of iterations = 15.5 total cpu time spent up to now is 486.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8083 PWs) bands (ev): -80.3636 -80.3636 -80.3550 -80.3550 -46.0562 -46.0562 -46.0275 -46.0275 -44.3483 -44.3483 -44.2959 -44.2959 -44.2955 -44.2955 -44.2862 -44.2862 -16.3494 -16.3494 -3.0254 -3.0254 -1.3648 -1.3648 -0.8225 -0.8225 -0.6230 -0.6230 1.4174 1.4174 5.8434 5.8434 8.3153 8.3153 8.4106 8.4106 8.4248 8.4248 9.0395 9.0395 9.0770 9.0770 9.2083 9.2083 9.8417 9.8417 10.2117 10.2117 10.8602 10.8602 10.8745 10.8745 10.9681 10.9681 11.3335 11.3335 11.5239 11.5239 12.7803 12.7803 12.9720 12.9720 13.1685 13.1685 14.3534 14.3534 k = 0.0000 0.0000 0.0217 ( 8079 PWs) bands (ev): -80.3636 -80.3636 -80.3549 -80.3549 -46.0561 -46.0561 -46.0275 -46.0275 -44.3483 -44.3483 -44.2958 -44.2958 -44.2956 -44.2956 -44.2862 -44.2862 -16.3493 -16.3493 -3.0256 -3.0256 -1.3655 -1.3655 -0.8304 -0.8304 -0.6136 -0.6136 1.4165 1.4165 5.8453 5.8453 8.3148 8.3148 8.4105 8.4105 8.4239 8.4239 9.0402 9.0402 9.0754 9.0754 9.2066 9.2066 9.8420 9.8420 10.2123 10.2123 10.8589 10.8589 10.8736 10.8736 10.9670 10.9670 11.3347 11.3347 11.5236 11.5236 12.7779 12.7779 12.9684 12.9684 13.1687 13.1687 14.3621 14.3621 k = 0.0000 0.0000 0.0434 ( 8091 PWs) bands (ev): -80.3638 -80.3638 -80.3550 -80.3550 -46.0561 -46.0561 -46.0276 -46.0276 -44.3482 -44.3482 -44.2959 -44.2959 -44.2957 -44.2957 -44.2862 -44.2862 -16.3489 -16.3489 -3.0263 -3.0263 -1.3676 -1.3676 -0.8507 -0.8507 -0.5889 -0.5889 1.4140 1.4140 5.8511 5.8511 8.3128 8.3128 8.4088 8.4088 8.4215 8.4215 9.0422 9.0422 9.0700 9.0700 9.2021 9.2021 9.8427 9.8427 10.2141 10.2141 10.8548 10.8548 10.8695 10.8695 10.9626 10.9626 11.3364 11.3364 11.5225 11.5225 12.7680 12.7680 12.9599 12.9599 13.1694 13.1694 14.3872 14.3872 k = 0.0000 0.0000 0.0651 ( 8095 PWs) bands (ev): -80.3640 -80.3640 -80.3549 -80.3549 -46.0560 -46.0560 -46.0277 -46.0277 -44.3481 -44.3481 -44.2959 -44.2959 -44.2958 -44.2958 -44.2863 -44.2863 -16.3484 -16.3484 -3.0276 -3.0276 -1.3710 -1.3710 -0.8774 -0.8774 -0.5547 -0.5547 1.4099 1.4099 5.8607 5.8607 8.3089 8.3089 8.4046 8.4046 8.4204 8.4204 9.0443 9.0443 9.0600 9.0600 9.1965 9.1965 9.8440 9.8440 10.2175 10.2175 10.8483 10.8483 10.8640 10.8640 10.9564 10.9564 11.3404 11.3404 11.5209 11.5209 12.7454 12.7454 12.9540 12.9540 13.1713 13.1713 14.4256 14.4256 k = 0.0000 0.0000 0.0868 ( 8099 PWs) bands (ev): -80.3641 -80.3641 -80.3550 -80.3550 -46.0560 -46.0560 -46.0278 -46.0278 -44.3480 -44.3480 -44.2961 -44.2961 -44.2958 -44.2958 -44.2863 -44.2863 -16.3476 -16.3476 -3.0293 -3.0293 -1.3758 -1.3758 -0.9067 -0.9067 -0.5150 -0.5150 1.4041 1.4041 5.8740 5.8740 8.3018 8.3018 8.3976 8.3976 8.4213 8.4213 9.0386 9.0386 9.0526 9.0526 9.1919 9.1919 9.8461 9.8461 10.2217 10.2217 10.8394 10.8394 10.8568 10.8568 10.9482 10.9482 11.3456 11.3456 11.5187 11.5187 12.7055 12.7055 12.9576 12.9576 13.1743 13.1743 14.4735 14.4735 k = 0.0000 0.0000 0.1085 ( 8103 PWs) bands (ev): -80.3642 -80.3642 -80.3550 -80.3550 -46.0559 -46.0559 -46.0280 -46.0280 -44.3478 -44.3478 -44.2963 -44.2963 -44.2958 -44.2958 -44.2864 -44.2864 -16.3466 -16.3466 -3.0316 -3.0316 -1.3818 -1.3818 -0.9365 -0.9365 -0.4720 -0.4720 1.3968 1.3968 5.8909 5.8909 8.2899 8.2899 8.3905 8.3905 8.4235 8.4235 9.0137 9.0137 9.0575 9.0575 9.1897 9.1897 9.8485 9.8485 10.2267 10.2267 10.8277 10.8277 10.8480 10.8480 10.9384 10.9384 11.3520 11.3520 11.5160 11.5160 12.6496 12.6496 12.9725 12.9725 13.1786 13.1786 14.5265 14.5265 k = 0.0000 0.0000 0.1302 ( 8101 PWs) bands (ev): -80.3641 -80.3641 -80.3551 -80.3551 -46.0558 -46.0558 -46.0281 -46.0281 -44.3476 -44.3476 -44.2965 -44.2965 -44.2957 -44.2957 -44.2864 -44.2864 -16.3453 -16.3453 -3.0344 -3.0344 -1.3891 -1.3891 -0.9656 -0.9656 -0.4268 -0.4268 1.3879 1.3879 5.9114 5.9114 8.2721 8.2721 8.3852 8.3852 8.4267 8.4267 8.9795 8.9795 9.0646 9.0646 9.1908 9.1908 9.8519 9.8519 10.2323 10.2323 10.8144 10.8144 10.8375 10.8375 10.9275 10.9275 11.3594 11.3594 11.5129 11.5129 12.5821 12.5821 12.9967 12.9967 13.1842 13.1842 14.5806 14.5806 k = 0.0000 0.0000 0.1519 ( 8105 PWs) bands (ev): -80.3642 -80.3642 -80.3551 -80.3551 -46.0556 -46.0556 -46.0282 -46.0282 -44.3474 -44.3474 -44.2968 -44.2968 -44.2957 -44.2957 -44.2864 -44.2864 -16.3439 -16.3439 -3.0377 -3.0377 -1.3974 -1.3974 -0.9936 -0.9936 -0.3801 -0.3801 1.3776 1.3776 5.9352 5.9352 8.2481 8.2481 8.3825 8.3825 8.4308 8.4308 8.9373 8.9373 9.0726 9.0726 9.1946 9.1946 9.8553 9.8553 10.2380 10.2380 10.7985 10.7985 10.8249 10.8249 10.9151 10.9151 11.3675 11.3675 11.5093 11.5093 12.5071 12.5071 13.0275 13.0275 13.1916 13.1916 14.6323 14.6323 k = 0.0000 0.0000 0.1737 ( 8113 PWs) bands (ev): -80.3642 -80.3642 -80.3553 -80.3553 -46.0555 -46.0555 -46.0284 -46.0284 -44.3471 -44.3471 -44.2972 -44.2972 -44.2957 -44.2957 -44.2865 -44.2865 -16.3423 -16.3423 -3.0415 -3.0415 -1.4068 -1.4068 -1.0202 -1.0202 -0.3324 -0.3324 1.3660 1.3660 5.9622 5.9622 8.2181 8.2181 8.3821 8.3821 8.4359 8.4359 8.8886 8.8886 9.0813 9.0813 9.2004 9.2004 9.8595 9.8595 10.2436 10.2436 10.7804 10.7804 10.8104 10.8104 10.9015 10.9015 11.3754 11.3754 11.5055 11.5055 12.4275 12.4275 13.0617 13.0617 13.2022 13.2022 14.6785 14.6785 k = 0.0000 0.0000 0.1954 ( 8097 PWs) bands (ev): -80.3640 -80.3640 -80.3551 -80.3551 -46.0553 -46.0553 -46.0285 -46.0285 -44.3467 -44.3467 -44.2975 -44.2975 -44.2956 -44.2956 -44.2864 -44.2864 -16.3404 -16.3404 -3.0458 -3.0458 -1.4169 -1.4169 -1.0450 -1.0450 -0.2838 -0.2838 1.3531 1.3531 5.9922 5.9922 8.1838 8.1838 8.3837 8.3837 8.4419 8.4419 8.8344 8.8344 9.0914 9.0914 9.2079 9.2079 9.8643 9.8643 10.2496 10.2496 10.7614 10.7614 10.7951 10.7951 10.8879 10.8879 11.3850 11.3850 11.5014 11.5014 12.3468 12.3468 13.0939 13.0939 13.2200 13.2200 14.7173 14.7173 k = 0.0000 0.0000 0.2171 ( 8097 PWs) bands (ev): -80.3639 -80.3639 -80.3552 -80.3552 -46.0551 -46.0551 -46.0287 -46.0287 -44.3464 -44.3464 -44.2980 -44.2980 -44.2955 -44.2955 -44.2864 -44.2864 -16.3384 -16.3384 -3.0507 -3.0507 -1.4278 -1.4278 -1.0682 -1.0682 -0.2349 -0.2349 1.3390 1.3390 6.0248 6.0248 8.1452 8.1452 8.3864 8.3864 8.4487 8.4487 8.7755 8.7755 9.1019 9.1019 9.2161 9.2161 9.8690 9.8690 10.2549 10.2549 10.7399 10.7399 10.7782 10.7782 10.8732 10.8732 11.3940 11.3940 11.4969 11.4969 12.2655 12.2655 13.1175 13.1175 13.2502 13.2502 14.7472 14.7472 k = 0.0000 0.0000 0.2388 ( 8097 PWs) bands (ev): -80.3639 -80.3639 -80.3551 -80.3551 -46.0548 -46.0548 -46.0290 -46.0290 -44.3460 -44.3460 -44.2985 -44.2985 -44.2954 -44.2954 -44.2864 -44.2864 -16.3361 -16.3361 -3.0561 -3.0561 -1.4391 -1.4391 -1.0896 -1.0896 -0.1857 -0.1857 1.3239 1.3239 6.0597 6.0597 8.1035 8.1035 8.3904 8.3904 8.4565 8.4565 8.7126 8.7126 9.1131 9.1131 9.2247 9.2247 9.8738 9.8738 10.2596 10.2596 10.7167 10.7167 10.7596 10.7596 10.8576 10.8576 11.4031 11.4031 11.4923 11.4923 12.1855 12.1855 13.1294 13.1294 13.2956 13.2956 14.7678 14.7678 k = 0.0000 0.0000 0.2605 ( 8097 PWs) bands (ev): -80.3639 -80.3639 -80.3552 -80.3552 -46.0546 -46.0546 -46.0292 -46.0292 -44.3456 -44.3456 -44.2990 -44.2990 -44.2953 -44.2953 -44.2864 -44.2864 -16.3337 -16.3337 -3.0621 -3.0621 -1.4509 -1.4509 -1.1093 -1.1093 -0.1364 -0.1364 1.3078 1.3078 6.0966 6.0966 8.0592 8.0592 8.3950 8.3950 8.4651 8.4651 8.6464 8.6464 9.1250 9.1250 9.2332 9.2332 9.8786 9.8786 10.2635 10.2635 10.6923 10.6923 10.7401 10.7401 10.8419 10.8419 11.4117 11.4117 11.4874 11.4874 12.1077 12.1077 13.1319 13.1319 13.3528 13.3528 14.7791 14.7791 k = 0.0000 0.0000 0.2822 ( 8105 PWs) bands (ev): -80.3640 -80.3640 -80.3553 -80.3553 -46.0543 -46.0543 -46.0295 -46.0295 -44.3452 -44.3452 -44.2997 -44.2997 -44.2952 -44.2952 -44.2864 -44.2864 -16.3311 -16.3311 -3.0685 -3.0685 -1.4628 -1.4628 -1.1272 -1.1272 -0.0873 -0.0873 1.2909 1.2909 6.1351 6.1351 8.0130 8.0130 8.4001 8.4001 8.4746 8.4746 8.5778 8.5778 9.1371 9.1371 9.2414 9.2414 9.8829 9.8829 10.2662 10.2662 10.6667 10.6667 10.7193 10.7193 10.8252 10.8252 11.4198 11.4198 11.4822 11.4822 12.0330 12.0330 13.1280 13.1280 13.4185 13.4185 14.7818 14.7818 k = 0.0000 0.0000 0.3039 ( 8105 PWs) bands (ev): -80.3639 -80.3639 -80.3553 -80.3553 -46.0541 -46.0541 -46.0298 -46.0298 -44.3447 -44.3447 -44.3003 -44.3003 -44.2951 -44.2951 -44.2864 -44.2864 -16.3284 -16.3284 -3.0754 -3.0754 -1.4748 -1.4748 -1.1436 -1.1436 -0.0385 -0.0385 1.2734 1.2734 6.1745 6.1745 7.9657 7.9657 8.4052 8.4052 8.4842 8.4842 8.5082 8.5082 9.1500 9.1500 9.2487 9.2487 9.8871 9.8871 10.2681 10.2681 10.6403 10.6403 10.6985 10.6985 10.8087 10.8087 11.4283 11.4283 11.4767 11.4767 11.9622 11.9622 13.1195 13.1195 13.4905 13.4905 14.7768 14.7768 k = 0.0000 0.0000 0.3256 ( 8097 PWs) bands (ev): -80.3635 -80.3635 -80.3555 -80.3555 -46.0538 -46.0538 -46.0300 -46.0300 -44.3442 -44.3442 -44.3009 -44.3009 -44.2950 -44.2950 -44.2863 -44.2863 -16.3255 -16.3255 -3.0827 -3.0827 -1.4867 -1.4867 -1.1583 -1.1583 0.0097 0.0097 1.2552 1.2552 6.2145 6.2145 7.9182 7.9182 8.4070 8.4070 8.4385 8.4385 8.4973 8.4973 9.1639 9.1639 9.2552 9.2552 9.8909 9.8909 10.2681 10.2681 10.6137 10.6137 10.6777 10.6777 10.7928 10.7928 11.4350 11.4350 11.4710 11.4710 11.8960 11.8960 13.1073 13.1073 13.5680 13.5680 14.7653 14.7653 k = 0.0000 0.0000 0.3473 ( 8093 PWs) bands (ev): -80.3634 -80.3634 -80.3555 -80.3555 -46.0535 -46.0535 -46.0303 -46.0303 -44.3437 -44.3437 -44.3016 -44.3016 -44.2949 -44.2949 -44.2863 -44.2863 -16.3224 -16.3224 -3.0905 -3.0905 -1.4985 -1.4985 -1.1714 -1.1714 0.0573 0.0573 1.2367 1.2367 6.2542 6.2542 7.8711 7.8711 8.3556 8.3556 8.4230 8.4230 8.5097 8.5097 9.1779 9.1779 9.2601 9.2601 9.8939 9.8939 10.2669 10.2669 10.5854 10.5854 10.6567 10.6567 10.7759 10.7759 11.4414 11.4414 11.4653 11.4653 11.8350 11.8350 13.0921 13.0921 13.6501 13.6501 14.7480 14.7480 k = 0.0000 0.0000 0.3690 ( 8097 PWs) bands (ev): -80.3633 -80.3633 -80.3557 -80.3557 -46.0532 -46.0532 -46.0306 -46.0306 -44.3432 -44.3432 -44.3023 -44.3023 -44.2947 -44.2947 -44.2862 -44.2862 -16.3192 -16.3192 -3.0986 -3.0986 -1.5100 -1.5100 -1.1831 -1.1831 0.1040 0.1040 1.2178 1.2178 6.2931 6.2931 7.8253 7.8253 8.2817 8.2817 8.4291 8.4291 8.5229 8.5229 9.1917 9.1917 9.2635 9.2635 9.8955 9.8955 10.2632 10.2632 10.5571 10.5571 10.6361 10.6361 10.7587 10.7587 11.4451 11.4451 11.4603 11.4603 11.7796 11.7796 13.0739 13.0739 13.7363 13.7363 14.7262 14.7262 k = 0.0000 0.0000 0.3907 ( 8117 PWs) bands (ev): -80.3633 -80.3633 -80.3562 -80.3562 -46.0530 -46.0530 -46.0310 -46.0310 -44.3428 -44.3428 -44.3032 -44.3032 -44.2947 -44.2947 -44.2861 -44.2861 -16.3159 -16.3159 -3.1070 -3.1070 -1.5212 -1.5212 -1.1932 -1.1932 0.1497 0.1497 1.1988 1.1988 6.3302 6.3302 7.7818 7.7818 8.2062 8.2062 8.4360 8.4360 8.5367 8.5367 9.2051 9.2051 9.2653 9.2653 9.8956 9.8956 10.2569 10.2569 10.5285 10.5285 10.6163 10.6163 10.7408 10.7408 11.4431 11.4431 11.4582 11.4582 11.7302 11.7302 13.0529 13.0529 13.8256 13.8256 14.7005 14.7005 k = 0.0000 0.0000 0.4124 ( 8121 PWs) bands (ev): -80.3634 -80.3634 -80.3562 -80.3562 -46.0527 -46.0527 -46.0314 -46.0314 -44.3422 -44.3422 -44.3040 -44.3040 -44.2945 -44.2945 -44.2861 -44.2861 -16.3124 -16.3124 -3.1157 -3.1157 -1.5321 -1.5321 -1.2018 -1.2018 0.1942 0.1942 1.1797 1.1797 6.3646 6.3646 7.7416 7.7416 8.1301 8.1301 8.4443 8.4443 8.5517 8.5517 9.2182 9.2182 9.2657 9.2657 9.8944 9.8944 10.2491 10.2491 10.4990 10.4990 10.5978 10.5978 10.7231 10.7231 11.4369 11.4369 11.4609 11.4609 11.6874 11.6874 13.0298 13.0298 13.9191 13.9191 14.6719 14.6719 k = 0.0000 0.0000 0.4341 ( 8109 PWs) bands (ev): -80.3631 -80.3631 -80.3562 -80.3562 -46.0523 -46.0523 -46.0317 -46.0317 -44.3417 -44.3417 -44.3048 -44.3048 -44.2943 -44.2943 -44.2860 -44.2860 -16.3089 -16.3089 -3.1246 -3.1246 -1.5426 -1.5426 -1.2090 -1.2090 0.2373 0.2373 1.1608 1.1608 6.3955 6.3955 7.7058 7.7058 8.0538 8.0538 8.4531 8.4531 8.5672 8.5672 9.2299 9.2299 9.2663 9.2663 9.8920 9.8920 10.2383 10.2383 10.4706 10.4706 10.5818 10.5818 10.7064 10.7064 11.4285 11.4285 11.4644 11.4644 11.6517 11.6517 13.0045 13.0045 14.0158 14.0158 14.6410 14.6410 k = 0.0000 0.0000 0.4558 ( 8105 PWs) bands (ev): -80.3628 -80.3628 -80.3563 -80.3563 -46.0520 -46.0520 -46.0320 -46.0320 -44.3411 -44.3411 -44.3057 -44.3057 -44.2941 -44.2941 -44.2859 -44.2859 -16.3053 -16.3053 -3.1337 -3.1337 -1.5529 -1.5529 -1.2148 -1.2148 0.2789 0.2789 1.1421 1.1421 6.4219 6.4219 7.6754 7.6754 7.9777 7.9777 8.4623 8.4623 8.5831 8.5831 9.2365 9.2365 9.2692 9.2692 9.8879 9.8879 10.2244 10.2244 10.4412 10.4412 10.5677 10.5677 10.6899 10.6899 11.4188 11.4188 11.4673 11.4673 11.6231 11.6231 12.9766 12.9766 14.1152 14.1152 14.6085 14.6085 k = 0.0000 0.0000 0.4776 ( 8113 PWs) bands (ev): -80.3627 -80.3627 -80.3567 -80.3567 -46.0517 -46.0517 -46.0324 -46.0324 -44.3406 -44.3406 -44.3066 -44.3066 -44.2939 -44.2939 -44.2858 -44.2858 -16.3015 -16.3015 -3.1429 -3.1429 -1.5628 -1.5628 -1.2191 -1.2191 0.3187 0.3187 1.1238 1.1238 6.4429 6.4429 7.6511 7.6511 7.9020 7.9020 8.4716 8.4716 8.5989 8.5989 9.2353 9.2353 9.2772 9.2772 9.8819 9.8819 10.2073 10.2073 10.4116 10.4116 10.5555 10.5555 10.6736 10.6736 11.4076 11.4076 11.4697 11.4697 11.6012 11.6012 12.9458 12.9458 14.2169 14.2169 14.5749 14.5749 k = 0.0000 0.0000 0.4993 ( 8115 PWs) bands (ev): -80.3627 -80.3627 -80.3567 -80.3567 -46.0513 -46.0513 -46.0328 -46.0328 -44.3400 -44.3400 -44.3076 -44.3076 -44.2936 -44.2936 -44.2857 -44.2857 -16.2977 -16.2977 -3.1521 -3.1521 -1.5723 -1.5723 -1.2221 -1.2221 0.3567 0.3567 1.1059 1.1059 6.4580 6.4580 7.6337 7.6337 7.8271 7.8271 8.4816 8.4816 8.6154 8.6154 9.2286 9.2286 9.2895 9.2895 9.8742 9.8742 10.1876 10.1876 10.3813 10.3813 10.5451 10.5451 10.6567 10.6567 11.3955 11.3955 11.4720 11.4720 11.5863 11.5863 12.9126 12.9126 14.3204 14.3204 14.5413 14.5413 k = 0.0000 0.0000 0.5210 ( 8115 PWs) bands (ev): -80.3625 -80.3625 -80.3569 -80.3569 -46.0509 -46.0509 -46.0332 -46.0332 -44.3395 -44.3395 -44.3085 -44.3085 -44.2934 -44.2934 -44.2856 -44.2856 -16.2939 -16.2939 -3.1612 -3.1612 -1.5816 -1.5816 -1.2237 -1.2237 0.3926 0.3926 1.0886 1.0886 6.4669 6.4669 7.6232 7.6232 7.7534 7.7534 8.4918 8.4918 8.6314 8.6314 9.2186 9.2186 9.3031 9.3031 9.8653 9.8653 10.1644 10.1644 10.3510 10.3510 10.5372 10.5372 10.6413 10.6413 11.3826 11.3826 11.4742 11.4742 11.5777 11.5777 12.8759 12.8759 14.4214 14.4214 14.5122 14.5122 k = 0.0000 0.0000 0.5427 ( 8119 PWs) bands (ev): -80.3624 -80.3624 -80.3571 -80.3571 -46.0506 -46.0506 -46.0336 -46.0336 -44.3390 -44.3390 -44.3094 -44.3094 -44.2932 -44.2932 -44.2855 -44.2855 -16.2900 -16.2900 -3.1703 -3.1703 -1.5905 -1.5905 -1.2240 -1.2240 0.4262 0.4262 1.0721 1.0721 6.4697 6.4697 7.6176 7.6176 7.6828 7.6828 8.5021 8.5021 8.6467 8.6467 9.2067 9.2067 9.3169 9.3169 9.8549 9.8549 10.1394 10.1394 10.3207 10.3207 10.5305 10.5305 10.6262 10.6262 11.3684 11.3684 11.4769 11.4769 11.5744 11.5744 12.8353 12.8353 14.4575 14.4575 14.5499 14.5499 k = 0.0000 0.0000 0.5644 ( 8123 PWs) bands (ev): -80.3625 -80.3625 -80.3571 -80.3571 -46.0502 -46.0502 -46.0340 -46.0340 -44.3384 -44.3384 -44.3105 -44.3105 -44.2928 -44.2928 -44.2854 -44.2854 -16.2861 -16.2861 -3.1792 -3.1792 -1.5991 -1.5991 -1.2232 -1.2232 0.4575 0.4575 1.0563 1.0563 6.4669 6.4669 7.5942 7.5942 7.6379 7.6379 8.5128 8.5128 8.6613 8.6613 9.1940 9.1940 9.3304 9.3304 9.8434 9.8434 10.1126 10.1126 10.2901 10.2901 10.5243 10.5243 10.6117 10.6117 11.3536 11.3536 11.4803 11.4803 11.5760 11.5760 12.7907 12.7907 14.4286 14.4286 14.6549 14.6549 k = 0.0000 0.0000 0.5861 ( 8125 PWs) bands (ev): -80.3625 -80.3625 -80.3571 -80.3571 -46.0498 -46.0498 -46.0345 -46.0345 -44.3378 -44.3378 -44.3115 -44.3115 -44.2925 -44.2925 -44.2853 -44.2853 -16.2821 -16.2821 -3.1880 -3.1880 -1.6073 -1.6073 -1.2212 -1.2212 0.4862 0.4862 1.0415 1.0415 6.4594 6.4594 7.5299 7.5299 7.6409 7.6409 8.5236 8.5236 8.6741 8.6741 9.1810 9.1810 9.3434 9.3434 9.8312 9.8312 10.0844 10.0844 10.2590 10.2590 10.5193 10.5193 10.5990 10.5990 11.3381 11.3381 11.4842 11.4842 11.5823 11.5823 12.7410 12.7410 14.3960 14.3960 14.7660 14.7660 k = 0.0000 0.0000 0.6078 ( 8113 PWs) bands (ev): -80.3624 -80.3624 -80.3569 -80.3569 -46.0493 -46.0493 -46.0349 -46.0349 -44.3372 -44.3372 -44.3125 -44.3125 -44.2921 -44.2921 -44.2852 -44.2852 -16.2781 -16.2781 -3.1965 -3.1965 -1.6152 -1.6152 -1.2182 -1.2182 0.5123 0.5123 1.0276 1.0276 6.4483 6.4483 7.4614 7.4614 7.6542 7.6542 8.5343 8.5343 8.6849 8.6849 9.1695 9.1695 9.3563 9.3563 9.8190 9.8190 10.0553 10.0553 10.2278 10.2278 10.5147 10.5147 10.5884 10.5884 11.3220 11.3220 11.4892 11.4892 11.5929 11.5929 12.6865 12.6865 14.3635 14.3635 14.8787 14.8787 k = 0.0000 0.0000 0.6295 ( 8103 PWs) bands (ev): -80.3621 -80.3621 -80.3569 -80.3569 -46.0489 -46.0489 -46.0353 -46.0353 -44.3367 -44.3367 -44.3134 -44.3134 -44.2918 -44.2918 -44.2851 -44.2851 -16.2742 -16.2742 -3.2047 -3.2047 -1.6226 -1.6226 -1.2144 -1.2144 0.5356 0.5356 1.0147 1.0147 6.4348 6.4348 7.3935 7.3935 7.6719 7.6719 8.5442 8.5442 8.6923 8.6923 9.1601 9.1601 9.3689 9.3689 9.8068 9.8068 10.0252 10.0252 10.1976 10.1976 10.5095 10.5095 10.5795 10.5795 11.3045 11.3045 11.4934 11.4934 11.6077 11.6077 12.6263 12.6263 14.3326 14.3326 14.9900 14.9900 k = 0.0000 0.0000 0.6512 ( 8109 PWs) bands (ev): -80.3619 -80.3619 -80.3572 -80.3572 -46.0486 -46.0486 -46.0357 -46.0357 -44.3363 -44.3363 -44.3144 -44.3144 -44.2914 -44.2914 -44.2849 -44.2849 -16.2702 -16.2702 -3.2126 -3.2126 -1.6295 -1.6295 -1.2097 -1.2097 0.5560 0.5560 1.0030 1.0030 6.4202 6.4202 7.3268 7.3268 7.6919 7.6919 8.5529 8.5529 8.6962 8.6962 9.1536 9.1536 9.3805 9.3805 9.7947 9.7947 9.9936 9.9936 10.1671 10.1671 10.5035 10.5035 10.5727 10.5727 11.2857 11.2857 11.4961 11.4961 11.6258 11.6258 12.5603 12.5603 14.3036 14.3036 15.0728 15.0728 k = 0.0000 0.0000 0.6729 ( 8117 PWs) bands (ev): -80.3619 -80.3619 -80.3575 -80.3575 -46.0482 -46.0482 -46.0361 -46.0361 -44.3358 -44.3358 -44.3154 -44.3154 -44.2911 -44.2911 -44.2848 -44.2848 -16.2663 -16.2663 -3.2201 -3.2201 -1.6360 -1.6360 -1.2043 -1.2043 0.5733 0.5733 0.9924 0.9924 6.4055 6.4055 7.2618 7.2618 7.7129 7.7129 8.5597 8.5597 8.6964 8.6964 9.1517 9.1517 9.3904 9.3904 9.7831 9.7831 9.9621 9.9621 10.1368 10.1368 10.4962 10.4962 10.5681 10.5681 11.2656 11.2656 11.4986 11.4986 11.6467 11.6467 12.4892 12.4892 14.2771 14.2771 15.0811 15.0811 k = 0.0000 0.0000 0.6946 ( 8117 PWs) bands (ev): -80.3618 -80.3618 -80.3576 -80.3576 -46.0479 -46.0479 -46.0365 -46.0365 -44.3354 -44.3354 -44.3164 -44.3164 -44.2907 -44.2907 -44.2847 -44.2847 -16.2624 -16.2624 -3.2272 -3.2272 -1.6419 -1.6419 -1.1984 -1.1984 0.5877 0.5877 0.9830 0.9830 6.3918 6.3918 7.1986 7.1986 7.7339 7.7339 8.5636 8.5636 8.6938 8.6938 9.1550 9.1550 9.4000 9.4000 9.7725 9.7725 9.9308 9.9308 10.1069 10.1069 10.4885 10.4885 10.5657 10.5657 11.2450 11.2450 11.5008 11.5008 11.6694 11.6694 12.4131 12.4131 14.2539 14.2539 15.0866 15.0866 k = 0.0000 0.0000 0.7163 ( 8113 PWs) bands (ev): -80.3617 -80.3617 -80.3576 -80.3576 -46.0475 -46.0475 -46.0369 -46.0369 -44.3349 -44.3349 -44.3174 -44.3174 -44.2903 -44.2903 -44.2846 -44.2846 -16.2586 -16.2586 -3.2340 -3.2340 -1.6472 -1.6472 -1.1920 -1.1920 0.5989 0.5989 0.9749 0.9749 6.3800 6.3800 7.1372 7.1372 7.7540 7.7540 8.5626 8.5626 8.6903 8.6903 9.1640 9.1640 9.4086 9.4086 9.7629 9.7629 9.8992 9.8992 10.0773 10.0773 10.4807 10.4807 10.5651 10.5651 11.2238 11.2238 11.5024 11.5024 11.6933 11.6933 12.3326 12.3326 14.2347 14.2347 15.1022 15.1022 k = 0.0000 0.0000 0.7380 ( 8111 PWs) bands (ev): -80.3616 -80.3616 -80.3576 -80.3576 -46.0471 -46.0471 -46.0373 -46.0373 -44.3344 -44.3344 -44.3184 -44.3184 -44.2899 -44.2899 -44.2845 -44.2845 -16.2548 -16.2548 -3.2404 -3.2404 -1.6519 -1.6519 -1.1853 -1.1853 0.6069 0.6069 0.9681 0.9681 6.3707 6.3707 7.0779 7.0779 7.7721 7.7721 8.5543 8.5543 8.6882 8.6882 9.1782 9.1782 9.4164 9.4164 9.7541 9.7541 9.8686 9.8686 10.0484 10.0484 10.4723 10.4723 10.5653 10.5653 11.2013 11.2013 11.5043 11.5043 11.7168 11.7168 12.2482 12.2482 14.2197 14.2197 15.1288 15.1288 k = 0.0000 0.0000 0.7597 ( 8115 PWs) bands (ev): -80.3616 -80.3616 -80.3577 -80.3577 -46.0467 -46.0467 -46.0377 -46.0377 -44.3340 -44.3340 -44.3193 -44.3193 -44.2895 -44.2895 -44.2844 -44.2844 -16.2511 -16.2511 -3.2463 -3.2463 -1.6559 -1.6559 -1.1783 -1.1783 0.6117 0.6117 0.9626 0.9626 6.3646 6.3646 7.0205 7.0205 7.7878 7.7878 8.5375 8.5375 8.6892 8.6892 9.1971 9.1971 9.4231 9.4231 9.7461 9.7461 9.8386 9.8386 10.0201 10.0201 10.4644 10.4644 10.5664 10.5664 11.1780 11.1780 11.5053 11.5053 11.7391 11.7391 12.1607 12.1607 14.2099 14.2099 15.1658 15.1658 k = 0.0000 0.0000 0.7814 ( 8099 PWs) bands (ev): -80.3611 -80.3611 -80.3577 -80.3577 -46.0463 -46.0463 -46.0380 -46.0380 -44.3337 -44.3337 -44.3202 -44.3202 -44.2891 -44.2891 -44.2842 -44.2842 -16.2475 -16.2475 -3.2518 -3.2518 -1.6592 -1.6592 -1.1711 -1.1711 0.6134 0.6134 0.9586 0.9586 6.3621 6.3621 6.9652 6.9652 7.8005 7.8005 8.5131 8.5131 8.6939 8.6939 9.2204 9.2204 9.4296 9.4296 9.7386 9.7386 9.8102 9.8102 9.9936 9.9936 10.4581 10.4581 10.5689 10.5689 11.1542 11.1542 11.5065 11.5065 11.7593 11.7593 12.0707 12.0707 14.2057 14.2057 15.2133 15.2133 k = 0.0000 0.0000 0.8032 ( 8093 PWs) bands (ev): -80.3608 -80.3608 -80.3578 -80.3578 -46.0460 -46.0460 -46.0383 -46.0383 -44.3333 -44.3333 -44.3210 -44.3210 -44.2887 -44.2887 -44.2840 -44.2840 -16.2439 -16.2439 -3.2569 -3.2569 -1.6619 -1.6619 -1.1639 -1.1639 0.6119 0.6119 0.9560 0.9560 6.3636 6.3636 6.9122 6.9122 7.8098 7.8098 8.4825 8.4825 8.7011 8.7011 9.2473 9.2473 9.4353 9.4353 9.7309 9.7309 9.7835 9.7835 9.9671 9.9671 10.4523 10.4523 10.5715 10.5715 11.1294 11.1294 11.5068 11.5068 11.7768 11.7768 11.9790 11.9790 14.2075 14.2075 15.2697 15.2697 k = 0.0000 0.0000 0.8249 ( 8101 PWs) bands (ev): -80.3609 -80.3609 -80.3579 -80.3579 -46.0457 -46.0457 -46.0388 -46.0388 -44.3330 -44.3330 -44.3220 -44.3220 -44.2882 -44.2882 -44.2840 -44.2840 -16.2405 -16.2405 -3.2616 -3.2616 -1.6639 -1.6639 -1.1566 -1.1566 0.6074 0.6074 0.9547 0.9547 6.3693 6.3693 6.8614 6.8614 7.8154 7.8154 8.4474 8.4474 8.7100 8.7100 9.2774 9.2774 9.4397 9.4397 9.7206 9.7206 9.7598 9.7598 9.9413 9.9413 10.4467 10.4467 10.5739 10.5739 11.1039 11.1039 11.5068 11.5068 11.7895 11.7895 11.8865 11.8865 14.2154 14.2154 15.3347 15.3347 k = 0.0000 0.0000 0.8466 ( 8093 PWs) bands (ev): -80.3607 -80.3607 -80.3579 -80.3579 -46.0453 -46.0453 -46.0391 -46.0391 -44.3326 -44.3326 -44.3228 -44.3228 -44.2878 -44.2878 -44.2838 -44.2838 -16.2372 -16.2372 -3.2659 -3.2659 -1.6651 -1.6651 -1.1493 -1.1493 0.6001 0.6001 0.9549 0.9549 6.3792 6.3792 6.8130 6.8130 7.8171 7.8171 8.4092 8.4092 8.7200 8.7200 9.3107 9.3107 9.4446 9.4446 9.7054 9.7054 9.7425 9.7425 9.9167 9.9167 10.4430 10.4430 10.5773 10.5773 11.0781 11.0781 11.5065 11.5065 11.7861 11.7861 11.8062 11.8062 14.2294 14.2294 15.4075 15.4075 k = 0.0000 0.0000 0.8683 ( 8075 PWs) bands (ev): -80.3602 -80.3602 -80.3579 -80.3579 -46.0450 -46.0450 -46.0393 -46.0393 -44.3323 -44.3323 -44.3235 -44.3235 -44.2874 -44.2874 -44.2837 -44.2837 -16.2340 -16.2340 -3.2699 -3.2699 -1.6657 -1.6657 -1.1422 -1.1422 0.5901 0.5901 0.9563 0.9563 6.3936 6.3936 6.7670 6.7670 7.8151 7.8151 8.3692 8.3692 8.7306 8.7306 9.3458 9.3458 9.4498 9.4498 9.6854 9.6854 9.7316 9.7316 9.8938 9.8938 10.4411 10.4411 10.5806 10.5806 11.0521 11.0521 11.5056 11.5056 11.6987 11.6987 11.8063 11.8063 14.2487 14.2487 15.4251 15.4251 k = 0.0000 0.0000 0.8900 ( 8077 PWs) bands (ev): -80.3604 -80.3604 -80.3577 -80.3577 -46.0446 -46.0446 -46.0397 -46.0397 -44.3320 -44.3320 -44.3243 -44.3243 -44.2869 -44.2869 -44.2836 -44.2836 -16.2310 -16.2310 -3.2734 -3.2734 -1.6657 -1.6657 -1.1352 -1.1352 0.5778 0.5778 0.9589 0.9589 6.4122 6.4122 6.7237 6.7237 7.8089 7.8089 8.3279 8.3279 8.7413 8.7413 9.3830 9.3830 9.4541 9.4541 9.6631 9.6631 9.7230 9.7230 9.8711 9.8711 10.4393 10.4393 10.5834 10.5834 11.0254 11.0254 11.5028 11.5028 11.6087 11.6087 11.8062 11.8062 14.2720 14.2720 15.3915 15.3915 k = 0.0000 0.0000 0.9117 ( 8077 PWs) bands (ev): -80.3602 -80.3602 -80.3579 -80.3579 -46.0444 -46.0444 -46.0400 -46.0400 -44.3317 -44.3317 -44.3251 -44.3251 -44.2866 -44.2866 -44.2835 -44.2835 -16.2281 -16.2281 -3.2766 -3.2766 -1.6650 -1.6650 -1.1283 -1.1283 0.5634 0.5634 0.9625 0.9625 6.4349 6.4349 6.6828 6.6828 7.7988 7.7988 8.2863 8.2863 8.7521 8.7521 9.4211 9.4211 9.4587 9.4587 9.6404 9.6404 9.7154 9.7154 9.8507 9.8507 10.4393 10.4393 10.5865 10.5865 10.9986 10.9986 11.4821 11.4821 11.5353 11.5353 11.8029 11.8029 14.2978 14.2978 15.3716 15.3716 k = 0.0000 0.0000 0.9334 ( 8079 PWs) bands (ev): -80.3601 -80.3601 -80.3580 -80.3580 -46.0441 -46.0441 -46.0403 -46.0403 -44.3315 -44.3315 -44.3258 -44.3258 -44.2862 -44.2862 -44.2834 -44.2834 -16.2253 -16.2253 -3.2795 -3.2795 -1.6638 -1.6638 -1.1216 -1.1216 0.5472 0.5472 0.9670 0.9670 6.4613 6.4613 6.6450 6.6450 7.7848 7.7848 8.2450 8.2450 8.7624 8.7624 9.4587 9.4587 9.4642 9.4642 9.6198 9.6198 9.7072 9.7072 9.8321 9.8321 10.4399 10.4399 10.5896 10.5896 10.9710 10.9710 11.4087 11.4087 11.5162 11.5162 11.7960 11.7960 14.3239 14.3239 15.3665 15.3665 k = 0.0000 0.0000 0.9551 ( 8069 PWs) bands (ev): -80.3599 -80.3599 -80.3580 -80.3580 -46.0438 -46.0438 -46.0406 -46.0406 -44.3313 -44.3313 -44.3264 -44.3264 -44.2858 -44.2858 -44.2833 -44.2833 -16.2227 -16.2227 -3.2821 -3.2821 -1.6621 -1.6621 -1.1152 -1.1152 0.5297 0.5297 0.9723 0.9723 6.4904 6.4904 6.6109 6.6109 7.7670 7.7670 8.2044 8.2044 8.7727 8.7727 9.4670 9.4670 9.4985 9.4985 9.6028 9.6028 9.6988 9.6988 9.8156 9.8156 10.4427 10.4427 10.5930 10.5930 10.9438 10.9438 11.3209 11.3209 11.5132 11.5132 11.7862 11.7862 14.3487 14.3487 15.3776 15.3776 k = 0.0000 0.0000 0.9768 ( 8063 PWs) bands (ev): -80.3596 -80.3596 -80.3580 -80.3580 -46.0436 -46.0436 -46.0408 -46.0408 -44.3311 -44.3311 -44.3270 -44.3270 -44.2854 -44.2854 -44.2832 -44.2832 -16.2203 -16.2203 -3.2844 -3.2844 -1.6600 -1.6600 -1.1090 -1.1090 0.5113 0.5113 0.9780 0.9780 6.5181 6.5181 6.5845 6.5845 7.7456 7.7456 8.1650 8.1650 8.7823 8.7823 9.4720 9.4720 9.5287 9.5287 9.5943 9.5943 9.6898 9.6898 9.8024 9.8024 10.4461 10.4461 10.5961 10.5961 10.9162 10.9162 11.2324 11.2324 11.5120 11.5120 11.7743 11.7743 14.3703 14.3703 15.4047 15.4047 k = 0.0000 0.0000 0.9985 ( 8075 PWs) bands (ev): -80.3597 -80.3597 -80.3583 -80.3583 -46.0434 -46.0434 -46.0411 -46.0411 -44.3309 -44.3309 -44.3276 -44.3276 -44.2851 -44.2851 -44.2831 -44.2831 -16.2180 -16.2180 -3.2864 -3.2864 -1.6576 -1.6576 -1.1030 -1.1030 0.4923 0.4923 0.9842 0.9842 6.5238 6.5238 6.5859 6.5859 7.7207 7.7207 8.1272 8.1272 8.7915 8.7915 9.4764 9.4764 9.5352 9.5352 9.6089 9.6089 9.6802 9.6802 9.7917 9.7917 10.4508 10.4508 10.5984 10.5984 10.8884 10.8884 11.1444 11.1444 11.5111 11.5111 11.7606 11.7606 14.3878 14.3878 15.4477 15.4477 k = 0.0000 0.0000 1.0202 ( 8075 PWs) bands (ev): -80.3595 -80.3595 -80.3585 -80.3585 -46.0432 -46.0432 -46.0413 -46.0413 -44.3308 -44.3308 -44.3281 -44.3281 -44.2849 -44.2849 -44.2831 -44.2831 -16.2159 -16.2159 -3.2882 -3.2882 -1.6549 -1.6549 -1.0974 -1.0974 0.4731 0.4731 0.9905 0.9905 6.5041 6.5041 6.6185 6.6185 7.6928 7.6928 8.0914 8.0914 8.8001 8.8001 9.4804 9.4804 9.5261 9.5261 9.6371 9.6371 9.6714 9.6714 9.7877 9.7877 10.4570 10.4570 10.6010 10.6010 10.8606 10.8606 11.0583 11.0583 11.5099 11.5099 11.7472 11.7472 14.4006 14.4006 15.5049 15.5049 k = 0.0000 0.0000 1.0419 ( 8071 PWs) bands (ev): -80.3594 -80.3594 -80.3584 -80.3584 -46.0430 -46.0430 -46.0415 -46.0415 -44.3306 -44.3306 -44.3286 -44.3286 -44.2846 -44.2846 -44.2830 -44.2830 -16.2140 -16.2140 -3.2898 -3.2898 -1.6521 -1.6521 -1.0921 -1.0921 0.4542 0.4542 0.9968 0.9968 6.4808 6.4808 6.6596 6.6596 7.6619 7.6619 8.0580 8.0580 8.8080 8.8080 9.4835 9.4835 9.5145 9.5145 9.6504 9.6504 9.6735 9.6735 9.7957 9.7957 10.4648 10.4648 10.6033 10.6033 10.8335 10.8335 10.9742 10.9742 11.5100 11.5100 11.7326 11.7326 14.4094 14.4094 15.5708 15.5708 k = 0.0000 0.0000 1.0636 ( 8073 PWs) bands (ev): -80.3595 -80.3595 -80.3584 -80.3584 -46.0428 -46.0428 -46.0417 -46.0417 -44.3305 -44.3305 -44.3291 -44.3291 -44.2842 -44.2842 -44.2829 -44.2829 -16.2122 -16.2122 -3.2911 -3.2911 -1.6492 -1.6492 -1.0872 -1.0872 0.4360 0.4360 1.0030 1.0030 6.4586 6.4586 6.7040 6.7040 7.6284 7.6284 8.0272 8.0272 8.8152 8.8152 9.4840 9.4840 9.5052 9.5052 9.6430 9.6430 9.6834 9.6834 9.8201 9.8201 10.4740 10.4740 10.6056 10.6056 10.8068 10.8068 10.8919 10.8919 11.5101 11.5101 11.7179 11.7179 14.4148 14.4148 15.5782 15.5782 k = 0.0000 0.0000 1.0853 ( 8061 PWs) bands (ev): -80.3593 -80.3593 -80.3583 -80.3583 -46.0426 -46.0426 -46.0418 -46.0418 -44.3303 -44.3303 -44.3295 -44.3295 -44.2840 -44.2840 -44.2828 -44.2828 -16.2107 -16.2107 -3.2922 -3.2922 -1.6464 -1.6464 -1.0826 -1.0826 0.4189 0.4189 1.0088 1.0088 6.4387 6.4387 6.7502 6.7502 7.5928 7.5928 7.9994 7.9994 8.8217 8.8217 9.4795 9.4795 9.5028 9.5028 9.6331 9.6331 9.6864 9.6864 9.8597 9.8597 10.4841 10.4841 10.6076 10.6076 10.7795 10.7795 10.8130 10.8130 11.5095 11.5095 11.7042 11.7042 14.4172 14.4172 15.5693 15.5693 k = 0.0000 0.0000 1.1071 ( 8065 PWs) bands (ev): -80.3595 -80.3595 -80.3582 -80.3582 -46.0424 -46.0424 -46.0420 -46.0420 -44.3302 -44.3302 -44.3299 -44.3299 -44.2838 -44.2838 -44.2828 -44.2828 -16.2094 -16.2094 -3.2932 -3.2932 -1.6438 -1.6438 -1.0785 -1.0785 0.4032 0.4032 1.0142 1.0142 6.4212 6.4212 6.7971 6.7971 7.5557 7.5557 7.9747 7.9747 8.8273 8.8273 9.4717 9.4717 9.5042 9.5042 9.6224 9.6224 9.6839 9.6839 9.9070 9.9070 10.4949 10.4949 10.6084 10.6084 10.7334 10.7334 10.7561 10.7561 11.5094 11.5094 11.6915 11.6915 14.4176 14.4176 15.5612 15.5612 k = 0.0000 0.0000 1.1288 ( 8071 PWs) bands (ev): -80.3595 -80.3595 -80.3584 -80.3584 -46.0424 -46.0424 -46.0422 -46.0422 -44.3302 -44.3302 -44.3301 -44.3301 -44.2836 -44.2836 -44.2828 -44.2828 -16.2082 -16.2082 -3.2940 -3.2940 -1.6413 -1.6413 -1.0750 -1.0750 0.3893 0.3893 1.0190 1.0190 6.4063 6.4063 6.8437 6.8437 7.5180 7.5180 7.9534 7.9534 8.8321 8.8321 9.4634 9.4634 9.5067 9.5067 9.6124 9.6124 9.6796 9.6796 9.9586 9.9586 10.5056 10.5056 10.6083 10.6083 10.6609 10.6609 10.7299 10.7299 11.5093 11.5093 11.6817 11.6817 14.4168 14.4168 15.5540 15.5540 k = 0.0000 0.0000 1.1505 ( 8065 PWs) bands (ev): -80.3594 -80.3594 -80.3583 -80.3583 -46.0423 -46.0423 -46.0422 -46.0422 -44.3304 -44.3304 -44.3301 -44.3301 -44.2834 -44.2834 -44.2828 -44.2828 -16.2073 -16.2073 -3.2946 -3.2946 -1.6392 -1.6392 -1.0720 -1.0720 0.3774 0.3774 1.0231 1.0231 6.3941 6.3941 6.8883 6.8883 7.4809 7.4809 7.9358 7.9358 8.8362 8.8362 9.4563 9.4563 9.5095 9.5095 9.6038 9.6038 9.6752 9.6752 10.0131 10.0131 10.5134 10.5134 10.5891 10.5891 10.6152 10.6152 10.7064 10.7064 11.5093 11.5093 11.6728 11.6728 14.4156 14.4156 15.5481 15.5481 k = 0.0000 0.0000 1.1722 ( 8062 PWs) bands (ev): -80.3593 -80.3593 -80.3583 -80.3583 -46.0423 -46.0423 -46.0422 -46.0422 -44.3306 -44.3306 -44.3300 -44.3300 -44.2833 -44.2833 -44.2827 -44.2827 -16.2066 -16.2066 -3.2951 -3.2951 -1.6375 -1.6375 -1.0696 -1.0696 0.3679 0.3679 1.0264 1.0264 6.3845 6.3845 6.9289 6.9289 7.4463 7.4463 7.9218 7.9218 8.8395 8.8395 9.4507 9.4507 9.5122 9.5122 9.5965 9.5965 9.6716 9.6716 10.0686 10.0686 10.4919 10.4919 10.5582 10.5582 10.6137 10.6137 10.6841 10.6841 11.5092 11.5092 11.6655 11.6655 14.4144 14.4144 15.5436 15.5436 k = 0.0000 0.0000 1.1939 ( 8066 PWs) bands (ev): -80.3594 -80.3594 -80.3583 -80.3583 -46.0424 -46.0424 -46.0421 -46.0421 -44.3307 -44.3307 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2061 -16.2061 -3.2955 -3.2955 -1.6363 -1.6363 -1.0678 -1.0678 0.3609 0.3609 1.0288 1.0288 6.3777 6.3777 6.9628 6.9628 7.4170 7.4170 7.9118 7.9118 8.8417 8.8417 9.4467 9.4467 9.5143 9.5143 9.5903 9.5903 9.6689 9.6689 10.1229 10.1229 10.4367 10.4367 10.5630 10.5630 10.6143 10.6143 10.6636 10.6636 11.5091 11.5091 11.6605 11.6605 14.4134 14.4134 15.5402 15.5402 k = 0.0000 0.0000 1.2156 ( 8072 PWs) bands (ev): -80.3593 -80.3593 -80.3585 -80.3585 -46.0424 -46.0424 -46.0422 -46.0422 -44.3308 -44.3308 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2057 -16.2057 -3.2957 -3.2957 -1.6355 -1.6355 -1.0668 -1.0668 0.3567 0.3567 1.0303 1.0303 6.3736 6.3736 6.9857 6.9857 7.3966 7.3966 7.9057 7.9057 8.8431 8.8431 9.4435 9.4435 9.5156 9.5156 9.5867 9.5867 9.6673 9.6673 10.1703 10.1703 10.3849 10.3849 10.5734 10.5734 10.6152 10.6152 10.6476 10.6476 11.5090 11.5090 11.6568 11.6568 14.4126 14.4126 15.5378 15.5378 k = 0.0000 0.0000 1.2373 ( 8068 PWs) bands (ev): -80.3593 -80.3593 -80.3584 -80.3584 -46.0424 -46.0424 -46.0421 -46.0421 -44.3309 -44.3309 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3553 0.3553 1.0308 1.0308 6.3722 6.3722 6.9940 6.9940 7.3892 7.3892 7.9037 7.9037 8.8435 8.8435 9.4428 9.4428 9.5161 9.5161 9.5855 9.5855 9.6668 9.6668 10.1927 10.1927 10.3619 10.3619 10.5783 10.5783 10.6157 10.6157 10.6407 10.6407 11.5090 11.5090 11.6558 11.6558 14.4123 14.4123 15.5373 15.5373 k = 0.0000 0.0000 1.2373 ( 8068 PWs) bands (ev): -80.3593 -80.3593 -80.3584 -80.3584 -46.0424 -46.0424 -46.0421 -46.0421 -44.3309 -44.3309 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3553 0.3553 1.0308 1.0308 6.3722 6.3722 6.9940 6.9940 7.3892 7.3892 7.9037 7.9037 8.8435 8.8435 9.4428 9.4428 9.5161 9.5161 9.5855 9.5855 9.6668 9.6668 10.1927 10.1927 10.3619 10.3619 10.5783 10.5783 10.6157 10.6157 10.6407 10.6407 11.5090 11.5090 11.6558 11.6558 14.4123 14.4123 15.5373 15.5373 k =-0.0081 0.0184 1.2373 ( 8074 PWs) bands (ev): -80.3593 -80.3593 -80.3586 -80.3586 -46.0425 -46.0425 -46.0422 -46.0422 -44.3309 -44.3309 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2057 -16.2057 -3.2957 -3.2957 -1.6354 -1.6354 -1.0668 -1.0668 0.3569 0.3569 1.0296 1.0296 6.3746 6.3746 6.9950 6.9950 7.3898 7.3898 7.9040 7.9040 8.8418 8.8418 9.4399 9.4399 9.5155 9.5155 9.5860 9.5860 9.6688 9.6688 10.1906 10.1906 10.3614 10.3614 10.5788 10.5788 10.6156 10.6156 10.6410 10.6410 11.5099 11.5099 11.6557 11.6557 14.4149 14.4149 15.5419 15.5419 k =-0.0163 0.0368 1.2373 ( 8082 PWs) bands (ev): -80.3594 -80.3594 -80.3587 -80.3587 -46.0425 -46.0425 -46.0422 -46.0422 -44.3309 -44.3309 -44.3300 -44.3300 -44.2833 -44.2833 -44.2828 -44.2828 -16.2060 -16.2060 -3.2955 -3.2955 -1.6359 -1.6359 -1.0679 -1.0679 0.3616 0.3616 1.0262 1.0262 6.3818 6.3818 6.9981 6.9981 7.3916 7.3916 7.9052 7.9052 8.8367 8.8367 9.4317 9.4317 9.5135 9.5135 9.5877 9.5877 9.6746 9.6746 10.1843 10.1843 10.3621 10.3621 10.5798 10.5798 10.6155 10.6155 10.6417 10.6417 11.5141 11.5141 11.6556 11.6556 14.4224 14.4224 15.5560 15.5560 k =-0.0244 0.0552 1.2373 ( 8082 PWs) bands (ev): -80.3593 -80.3593 -80.3589 -80.3589 -46.0425 -46.0425 -46.0421 -46.0421 -44.3309 -44.3309 -44.3299 -44.3299 -44.2833 -44.2833 -44.2828 -44.2828 -16.2064 -16.2064 -3.2952 -3.2952 -1.6368 -1.6368 -1.0697 -1.0697 0.3693 0.3693 1.0205 1.0205 6.3938 6.3938 7.0032 7.0032 7.3946 7.3946 7.9072 7.9072 8.8284 8.8284 9.4190 9.4190 9.5106 9.5106 9.5904 9.5904 9.6837 9.6837 10.1743 10.1743 10.3638 10.3638 10.5827 10.5827 10.6149 10.6149 10.6441 10.6441 11.5210 11.5210 11.6557 11.6557 14.4347 14.4347 15.5795 15.5795 k =-0.0325 0.0736 1.2373 ( 8078 PWs) bands (ev): -80.3594 -80.3594 -80.3586 -80.3586 -46.0426 -46.0426 -46.0420 -46.0420 -44.3310 -44.3310 -44.3296 -44.3296 -44.2833 -44.2833 -44.2829 -44.2829 -16.2071 -16.2071 -3.2947 -3.2947 -1.6380 -1.6380 -1.0722 -1.0722 0.3800 0.3800 1.0126 1.0126 6.4106 6.4106 7.0104 7.0104 7.3989 7.3989 7.9100 7.9100 8.8165 8.8165 9.4023 9.4023 9.5082 9.5082 9.5943 9.5943 9.6950 9.6950 10.1609 10.1609 10.3659 10.3659 10.5855 10.5855 10.6151 10.6151 10.6464 10.6464 11.5312 11.5312 11.6555 11.6555 14.4521 14.4521 15.6122 15.6122 k =-0.0407 0.0920 1.2373 ( 8080 PWs) bands (ev): -80.3592 -80.3592 -80.3589 -80.3589 -46.0426 -46.0426 -46.0420 -46.0420 -44.3310 -44.3310 -44.3295 -44.3295 -44.2834 -44.2834 -44.2830 -44.2830 -16.2079 -16.2079 -3.2941 -3.2941 -1.6394 -1.6394 -1.0753 -1.0753 0.3936 0.3936 1.0027 1.0027 6.4316 6.4316 7.0196 7.0196 7.4042 7.4042 7.9135 7.9135 8.8016 8.8016 9.3815 9.3815 9.5047 9.5047 9.5999 9.5999 9.7078 9.7078 10.1447 10.1447 10.3674 10.3674 10.5899 10.5899 10.6153 10.6153 10.6504 10.6504 11.5425 11.5425 11.6553 11.6553 14.4722 14.4722 15.6536 15.6536 k =-0.0488 0.1104 1.2373 ( 8072 PWs) bands (ev): -80.3590 -80.3590 -80.3589 -80.3589 -46.0427 -46.0427 -46.0419 -46.0419 -44.3310 -44.3310 -44.3293 -44.3293 -44.2834 -44.2834 -44.2831 -44.2831 -16.2088 -16.2088 -3.2934 -3.2934 -1.6411 -1.6411 -1.0791 -1.0791 0.4097 0.4097 0.9910 0.9910 6.4569 6.4569 7.0309 7.0309 7.4108 7.4108 7.9179 7.9179 8.7836 8.7836 9.3583 9.3583 9.5015 9.5015 9.6064 9.6064 9.7217 9.7217 10.1264 10.1264 10.3706 10.3706 10.5947 10.5947 10.6165 10.6165 10.6557 10.6557 11.5549 11.5549 11.6550 11.6550 14.4951 14.4951 15.7038 15.7038 k =-0.0488 0.1104 1.2373 ( 8072 PWs) bands (ev): -80.3590 -80.3590 -80.3589 -80.3589 -46.0427 -46.0427 -46.0419 -46.0419 -44.3310 -44.3310 -44.3293 -44.3293 -44.2834 -44.2834 -44.2831 -44.2831 -16.2088 -16.2088 -3.2934 -3.2934 -1.6411 -1.6411 -1.0791 -1.0791 0.4097 0.4097 0.9910 0.9910 6.4569 6.4569 7.0309 7.0309 7.4108 7.4108 7.9179 7.9179 8.7836 8.7836 9.3583 9.3583 9.5015 9.5015 9.6064 9.6064 9.7217 9.7217 10.1264 10.1264 10.3706 10.3706 10.5947 10.5947 10.6165 10.6165 10.6557 10.6557 11.5549 11.5549 11.6550 11.6550 14.4951 14.4951 15.7038 15.7038 k =-0.0551 0.1246 1.2218 ( 8080 PWs) bands (ev): -80.3592 -80.3592 -80.3589 -80.3589 -46.0427 -46.0427 -46.0419 -46.0419 -44.3311 -44.3311 -44.3291 -44.3291 -44.2834 -44.2834 -44.2833 -44.2833 -16.2098 -16.2098 -3.2927 -3.2927 -1.6426 -1.6426 -1.0826 -1.0826 0.4245 0.4245 0.9805 0.9805 6.4797 6.4797 7.0366 7.0366 7.4204 7.4204 7.9227 7.9227 8.7674 8.7674 9.3380 9.3380 9.4989 9.4989 9.6119 9.6119 9.7326 9.7326 10.1052 10.1052 10.3787 10.3787 10.5936 10.5936 10.6216 10.6216 10.6621 10.6621 11.5661 11.5661 11.6553 11.6553 14.5133 14.5133 15.7481 15.7481 k =-0.0613 0.1388 1.2063 ( 8078 PWs) bands (ev): -80.3592 -80.3592 -80.3588 -80.3588 -46.0428 -46.0428 -46.0418 -46.0418 -44.3311 -44.3311 -44.3289 -44.3289 -44.2835 -44.2835 -44.2834 -44.2834 -16.2109 -16.2109 -3.2920 -3.2920 -1.6444 -1.6444 -1.0863 -1.0863 0.4418 0.4418 0.9685 0.9685 6.5063 6.5063 7.0353 7.0353 7.4378 7.4378 7.9299 7.9299 8.7495 8.7495 9.3168 9.3168 9.4976 9.4976 9.6184 9.6184 9.7441 9.7441 10.0762 10.0762 10.3954 10.3954 10.5876 10.5876 10.6311 10.6311 10.6727 10.6727 11.5795 11.5795 11.6568 11.6568 14.5316 14.5316 15.7976 15.7976 k =-0.0676 0.1530 1.1908 ( 8076 PWs) bands (ev): -80.3593 -80.3593 -80.3587 -80.3587 -46.0428 -46.0428 -46.0417 -46.0417 -44.3310 -44.3310 -44.3286 -44.3286 -44.2836 -44.2836 -44.2835 -44.2835 -16.2122 -16.2122 -3.2913 -3.2913 -1.6466 -1.6466 -1.0903 -1.0903 0.4615 0.4615 0.9553 0.9553 6.5360 6.5360 7.0284 7.0284 7.4613 7.4613 7.9394 7.9394 8.7298 8.7298 9.2943 9.2943 9.4971 9.4971 9.6254 9.6254 9.7557 9.7557 10.0448 10.0448 10.4146 10.4146 10.5810 10.5810 10.6428 10.6428 10.6861 10.6861 11.5939 11.5939 11.6604 11.6604 14.5479 14.5479 15.8512 15.8512 k =-0.0739 0.1672 1.1753 ( 8080 PWs) bands (ev): -80.3596 -80.3596 -80.3586 -80.3586 -46.0429 -46.0429 -46.0417 -46.0417 -44.3310 -44.3310 -44.3284 -44.3284 -44.2838 -44.2838 -44.2837 -44.2837 -16.2137 -16.2137 -3.2906 -3.2906 -1.6490 -1.6490 -1.0944 -1.0944 0.4834 0.4834 0.9408 0.9408 6.5687 6.5687 7.0170 7.0170 7.4893 7.4893 7.9512 7.9512 8.7089 8.7089 9.2702 9.2702 9.4975 9.4975 9.6334 9.6334 9.7665 9.7665 10.0146 10.0146 10.4330 10.4330 10.5743 10.5743 10.6572 10.6572 10.7014 10.7014 11.6095 11.6095 11.6647 11.6647 14.5603 14.5603 15.8571 15.8571 k =-0.0801 0.1814 1.1598 ( 8080 PWs) bands (ev): -80.3596 -80.3596 -80.3586 -80.3586 -46.0430 -46.0430 -46.0416 -46.0416 -44.3310 -44.3310 -44.3281 -44.3281 -44.2840 -44.2840 -44.2838 -44.2838 -16.2154 -16.2154 -3.2899 -3.2899 -1.6516 -1.6516 -1.0982 -1.0982 0.5070 0.5070 0.9252 0.9252 6.6042 6.6042 7.0029 7.0029 7.5201 7.5201 7.9651 7.9651 8.6871 8.6871 9.2454 9.2454 9.4991 9.4991 9.6415 9.6415 9.7752 9.7752 9.9889 9.9889 10.4488 10.4488 10.5684 10.5684 10.6743 10.6743 10.7176 10.7176 11.6274 11.6274 11.6708 11.6708 14.5668 14.5668 15.7851 15.7851 k =-0.0864 0.1956 1.1442 ( 8084 PWs) bands (ev): -80.3596 -80.3596 -80.3586 -80.3586 -46.0431 -46.0431 -46.0415 -46.0415 -44.3309 -44.3309 -44.3278 -44.3278 -44.2842 -44.2842 -44.2840 -44.2840 -16.2172 -16.2172 -3.2895 -3.2895 -1.6544 -1.6544 -1.1016 -1.1016 0.5323 0.5323 0.9087 0.9087 6.6421 6.6421 6.9870 6.9870 7.5525 7.5525 7.9810 7.9810 8.6648 8.6648 9.2191 9.2191 9.5020 9.5020 9.6496 9.6496 9.7812 9.7812 9.9696 9.9696 10.4608 10.4608 10.5628 10.5628 10.6945 10.6945 10.7348 10.7348 11.6463 11.6463 11.6786 11.6786 14.5647 14.5647 15.7102 15.7102 k =-0.0927 0.2097 1.1287 ( 8079 PWs) bands (ev): -80.3597 -80.3597 -80.3585 -80.3585 -46.0431 -46.0431 -46.0414 -46.0414 -44.3309 -44.3309 -44.3275 -44.3275 -44.2844 -44.2844 -44.2841 -44.2841 -16.2192 -16.2192 -3.2892 -3.2892 -1.6574 -1.6574 -1.1045 -1.1045 0.5588 0.5588 0.8913 0.8913 6.6821 6.6821 6.9702 6.9702 7.5852 7.5852 7.9988 7.9988 8.6425 8.6425 9.1919 9.1919 9.5061 9.5061 9.6586 9.6586 9.7828 9.7828 9.9589 9.9589 10.4693 10.4693 10.5577 10.5577 10.7179 10.7179 10.7533 10.7533 11.6662 11.6662 11.6890 11.6890 14.5512 14.5512 15.6374 15.6374 k =-0.0989 0.2239 1.1132 ( 8076 PWs) bands (ev): -80.3595 -80.3595 -80.3585 -80.3585 -46.0432 -46.0432 -46.0413 -46.0413 -44.3308 -44.3308 -44.3271 -44.3271 -44.2847 -44.2847 -44.2843 -44.2843 -16.2213 -16.2213 -3.2892 -3.2892 -1.6606 -1.6606 -1.1066 -1.1066 0.5864 0.5864 0.8733 0.8733 6.7236 6.7236 6.9529 6.9529 7.6177 7.6177 8.0183 8.0183 8.6205 8.6205 9.1639 9.1639 9.5118 9.5118 9.6672 9.6672 9.7790 9.7790 9.9576 9.9576 10.4742 10.4742 10.5532 10.5532 10.7425 10.7425 10.7734 10.7734 11.6851 11.6851 11.7038 11.7038 14.5242 14.5242 15.5698 15.5698 k =-0.1052 0.2381 1.0977 ( 8079 PWs) bands (ev): -80.3596 -80.3596 -80.3586 -80.3586 -46.0432 -46.0432 -46.0412 -46.0412 -44.3307 -44.3307 -44.3267 -44.3267 -44.2850 -44.2850 -44.2845 -44.2845 -16.2235 -16.2235 -3.2895 -3.2895 -1.6639 -1.6639 -1.1078 -1.1078 0.6147 0.6147 0.8548 0.8548 6.7663 6.7663 6.9358 6.9358 7.6491 7.6491 8.0394 8.0394 8.5994 8.5994 9.1351 9.1351 9.5186 9.5186 9.6757 9.6757 9.7718 9.7718 9.9639 9.9639 10.4761 10.4761 10.5481 10.5481 10.7658 10.7658 10.7970 10.7970 11.7014 11.7014 11.7245 11.7245 14.4815 14.4815 15.5095 15.5095 k =-0.1115 0.2523 1.0822 ( 8082 PWs) bands (ev): -80.3596 -80.3596 -80.3587 -80.3587 -46.0433 -46.0433 -46.0411 -46.0411 -44.3306 -44.3306 -44.3264 -44.3264 -44.2853 -44.2853 -44.2847 -44.2847 -16.2258 -16.2258 -3.2902 -3.2902 -1.6673 -1.6673 -1.1079 -1.1079 0.6433 0.6433 0.8360 0.8360 6.8093 6.8093 6.9194 6.9194 7.6788 7.6788 8.0618 8.0618 8.5797 8.5797 9.1061 9.1061 9.5264 9.5264 9.6847 9.6847 9.7624 9.7624 9.9760 9.9760 10.4759 10.4759 10.5430 10.5430 10.7858 10.7858 10.8260 10.8260 11.7166 11.7166 11.7496 11.7496 14.4233 14.4233 15.4570 15.4570 k =-0.1177 0.2665 1.0667 ( 8094 PWs) bands (ev): -80.3598 -80.3598 -80.3588 -80.3588 -46.0434 -46.0434 -46.0411 -46.0411 -44.3305 -44.3305 -44.3260 -44.3260 -44.2856 -44.2856 -44.2849 -44.2849 -16.2283 -16.2283 -3.2912 -3.2912 -1.6709 -1.6709 -1.1067 -1.1067 0.6719 0.6719 0.8173 0.8173 6.8495 6.8495 6.9063 6.9063 7.7067 7.7067 8.0853 8.0853 8.5617 8.5617 9.0770 9.0770 9.5351 9.5351 9.6929 9.6929 9.7527 9.7527 9.9921 9.9921 10.4740 10.4740 10.5375 10.5375 10.8029 10.8029 10.8598 10.8598 11.7317 11.7317 11.7769 11.7769 14.3509 14.3509 15.4110 15.4110 k =-0.1240 0.2807 1.0512 ( 8100 PWs) bands (ev): -80.3600 -80.3600 -80.3588 -80.3588 -46.0435 -46.0435 -46.0410 -46.0410 -44.3304 -44.3304 -44.3257 -44.3257 -44.2859 -44.2859 -44.2852 -44.2852 -16.2308 -16.2308 -3.2927 -3.2927 -1.6746 -1.6746 -1.1043 -1.1043 0.6997 0.6997 0.7993 0.7993 6.8683 6.8683 6.9151 6.9151 7.7323 7.7323 8.1099 8.1099 8.5458 8.5458 9.0482 9.0482 9.5450 9.5450 9.7007 9.7007 9.7457 9.7457 10.0111 10.0111 10.4702 10.4702 10.5314 10.5314 10.8182 10.8182 10.8970 10.8970 11.7477 11.7477 11.8070 11.8070 14.2670 14.2670 15.3695 15.3695 k =-0.1303 0.2949 1.0357 ( 8085 PWs) bands (ev): -80.3598 -80.3598 -80.3586 -80.3586 -46.0435 -46.0435 -46.0409 -46.0409 -44.3302 -44.3302 -44.3252 -44.3252 -44.2862 -44.2862 -44.2854 -44.2854 -16.2334 -16.2334 -3.2945 -3.2945 -1.6784 -1.6784 -1.1005 -1.1005 0.7241 0.7241 0.7845 0.7845 6.8580 6.8580 6.9530 6.9530 7.7558 7.7558 8.1352 8.1352 8.5324 8.5324 9.0205 9.0205 9.5562 9.5562 9.7059 9.7059 9.7431 9.7431 10.0320 10.0320 10.4660 10.4660 10.5260 10.5260 10.8328 10.8328 10.9380 10.9380 11.7652 11.7652 11.8395 11.8395 14.1748 14.1748 15.3306 15.3306 k =-0.1365 0.3090 1.0202 ( 8087 PWs) bands (ev): -80.3599 -80.3599 -80.3586 -80.3586 -46.0435 -46.0435 -46.0408 -46.0408 -44.3300 -44.3300 -44.3248 -44.3248 -44.2865 -44.2865 -44.2857 -44.2857 -16.2360 -16.2360 -3.2968 -3.2968 -1.6824 -1.6824 -1.0953 -1.0953 0.7352 0.7352 0.7828 0.7828 6.8422 6.8422 6.9956 6.9956 7.7770 7.7770 8.1610 8.1610 8.5215 8.5215 8.9938 8.9938 9.5681 9.5681 9.7067 9.7067 9.7460 9.7460 10.0535 10.0535 10.4602 10.4602 10.5193 10.5193 10.8457 10.8457 10.9816 10.9816 11.7827 11.7827 11.8733 11.8733 14.0772 14.0772 15.2925 15.2925 k =-0.1428 0.3232 1.0047 ( 8083 PWs) bands (ev): -80.3599 -80.3599 -80.3585 -80.3585 -46.0436 -46.0436 -46.0407 -46.0407 -44.3298 -44.3298 -44.3244 -44.3244 -44.2868 -44.2868 -44.2860 -44.2860 -16.2387 -16.2387 -3.2995 -3.2995 -1.6864 -1.6864 -1.0886 -1.0886 0.7259 0.7259 0.8012 0.8012 6.8252 6.8252 7.0386 7.0386 7.7959 7.7959 8.1872 8.1872 8.5133 8.5133 8.9684 8.9684 9.5807 9.5807 9.7051 9.7051 9.7545 9.7545 10.0755 10.0755 10.4534 10.4534 10.5120 10.5120 10.8576 10.8576 11.0283 11.0283 11.7997 11.7997 11.9096 11.9096 13.9769 13.9769 15.2550 15.2550 k =-0.1491 0.3374 0.9892 ( 8091 PWs) bands (ev): -80.3599 -80.3599 -80.3586 -80.3586 -46.0437 -46.0437 -46.0406 -46.0406 -44.3296 -44.3296 -44.3240 -44.3240 -44.2872 -44.2872 -44.2863 -44.2863 -16.2414 -16.2414 -3.3026 -3.3026 -1.6906 -1.6906 -1.0806 -1.0806 0.7095 0.7095 0.8262 0.8262 6.8076 6.8076 7.0805 7.0805 7.8129 7.8129 8.2134 8.2134 8.5075 8.5075 8.9446 8.9446 9.5937 9.5937 9.7029 9.7029 9.7652 9.7652 10.0975 10.0975 10.4453 10.4453 10.5038 10.5038 10.8684 10.8684 11.0783 11.0783 11.8154 11.8154 11.9470 11.9470 13.8758 13.8758 15.2180 15.2180 k =-0.1553 0.3516 0.9737 ( 8093 PWs) bands (ev): -80.3600 -80.3600 -80.3586 -80.3586 -46.0437 -46.0437 -46.0406 -46.0406 -44.3294 -44.3294 -44.3236 -44.3236 -44.2875 -44.2875 -44.2866 -44.2866 -16.2440 -16.2440 -3.3061 -3.3061 -1.6949 -1.6949 -1.0712 -1.0712 0.6917 0.6917 0.8523 0.8523 6.7895 6.7895 7.1210 7.1210 7.8283 7.8283 8.2398 8.2398 8.5041 8.5041 8.9226 8.9226 9.6075 9.6075 9.7012 9.7012 9.7775 9.7775 10.1190 10.1190 10.4365 10.4365 10.4951 10.4951 10.8787 10.8787 11.1323 11.1323 11.8300 11.8300 11.9863 11.9863 13.7759 13.7759 15.1829 15.1829 k =-0.1616 0.3658 0.9582 ( 8093 PWs) bands (ev): -80.3599 -80.3599 -80.3588 -80.3588 -46.0438 -46.0438 -46.0405 -46.0405 -44.3293 -44.3293 -44.3232 -44.3232 -44.2879 -44.2879 -44.2868 -44.2868 -16.2467 -16.2467 -3.3098 -3.3098 -1.6993 -1.6993 -1.0606 -1.0606 0.6737 0.6737 0.8782 0.8782 6.7708 6.7708 7.1596 7.1596 7.8426 7.8426 8.2659 8.2659 8.5027 8.5027 8.9030 8.9030 9.6216 9.6216 9.7005 9.7005 9.7910 9.7910 10.1399 10.1399 10.4272 10.4272 10.4859 10.4859 10.8885 10.8885 11.1904 11.1904 11.8415 11.8415 12.0275 12.0275 13.6785 13.6785 15.1509 15.1509 k =-0.1679 0.3800 0.9426 ( 8093 PWs) bands (ev): -80.3598 -80.3598 -80.3588 -80.3588 -46.0438 -46.0438 -46.0404 -46.0404 -44.3291 -44.3291 -44.3227 -44.3227 -44.2882 -44.2882 -44.2871 -44.2871 -16.2493 -16.2493 -3.3139 -3.3139 -1.7038 -1.7038 -1.0488 -1.0488 0.6560 0.6560 0.9033 0.9033 6.7517 6.7517 7.1962 7.1962 7.8561 7.8561 8.2918 8.2918 8.5030 8.5030 8.8852 8.8852 9.6355 9.6355 9.7017 9.7017 9.8052 9.8052 10.1600 10.1600 10.4173 10.4173 10.4757 10.4757 10.8979 10.8979 11.2531 11.2531 11.8496 11.8496 12.0700 12.0700 13.5843 13.5843 15.1233 15.1233 k =-0.1741 0.3941 0.9271 ( 8097 PWs) bands (ev): -80.3599 -80.3599 -80.3589 -80.3589 -46.0439 -46.0439 -46.0403 -46.0403 -44.3288 -44.3288 -44.3223 -44.3223 -44.2886 -44.2886 -44.2874 -44.2874 -16.2519 -16.2519 -3.3182 -3.3182 -1.7083 -1.7083 -1.0361 -1.0361 0.6387 0.6387 0.9275 0.9275 6.7319 6.7319 7.2303 7.2303 7.8692 7.8692 8.3174 8.3174 8.5046 8.5046 8.8691 8.8691 9.6490 9.6490 9.7048 9.7048 9.8206 9.8206 10.1785 10.1785 10.4063 10.4063 10.4650 10.4650 10.9071 10.9071 11.3198 11.3198 11.8533 11.8533 12.1137 12.1137 13.4942 13.4942 15.1018 15.1018 k =-0.1804 0.4083 0.9116 ( 8091 PWs) bands (ev): -80.3599 -80.3599 -80.3587 -80.3587 -46.0439 -46.0439 -46.0402 -46.0402 -44.3286 -44.3286 -44.3219 -44.3219 -44.2889 -44.2889 -44.2877 -44.2877 -16.2544 -16.2544 -3.3226 -3.3226 -1.7128 -1.7128 -1.0227 -1.0227 0.6221 0.6221 0.9506 0.9506 6.7118 6.7118 7.2619 7.2619 7.8823 7.8823 8.3428 8.3428 8.5072 8.5072 8.8551 8.8551 9.6616 9.6616 9.7105 9.7105 9.8368 9.8368 10.1962 10.1962 10.3956 10.3956 10.4539 10.4539 10.9163 10.9163 11.3916 11.3916 11.8526 11.8526 12.1582 12.1582 13.4087 13.4087 15.0880 15.0880 k =-0.1867 0.4225 0.8961 ( 8091 PWs) bands (ev): -80.3599 -80.3599 -80.3587 -80.3587 -46.0439 -46.0439 -46.0402 -46.0402 -44.3284 -44.3284 -44.3215 -44.3215 -44.2892 -44.2892 -44.2880 -44.2880 -16.2568 -16.2568 -3.3271 -3.3271 -1.7173 -1.7173 -1.0086 -1.0086 0.6062 0.6062 0.9724 0.9724 6.6912 6.6912 7.2906 7.2906 7.8956 7.8956 8.3676 8.3676 8.5104 8.5104 8.8426 8.8426 9.6722 9.6722 9.7189 9.7189 9.8536 9.8536 10.2124 10.2124 10.3846 10.3846 10.4422 10.4422 10.9258 10.9258 11.4678 11.4678 11.8463 11.8463 12.2033 12.2033 13.3277 13.3277 15.0830 15.0830 k =-0.1929 0.4367 0.8806 ( 8091 PWs) bands (ev): -80.3599 -80.3599 -80.3587 -80.3587 -46.0439 -46.0439 -46.0401 -46.0401 -44.3282 -44.3282 -44.3211 -44.3211 -44.2895 -44.2895 -44.2883 -44.2883 -16.2591 -16.2591 -3.3317 -3.3317 -1.7217 -1.7217 -0.9942 -0.9942 0.5910 0.5910 0.9930 0.9930 6.6705 6.6705 7.3167 7.3167 7.9092 7.9092 8.3920 8.3920 8.5139 8.5139 8.8316 8.8316 9.6809 9.6809 9.7302 9.7302 9.8713 9.8713 10.2265 10.2265 10.3732 10.3732 10.4301 10.4301 10.9359 10.9359 11.5481 11.5481 11.8344 11.8344 12.2490 12.2490 13.2517 13.2517 15.0880 15.0880 k =-0.1992 0.4509 0.8651 ( 8093 PWs) bands (ev): -80.3599 -80.3599 -80.3588 -80.3588 -46.0440 -46.0440 -46.0401 -46.0401 -44.3280 -44.3280 -44.3207 -44.3207 -44.2898 -44.2898 -44.2886 -44.2886 -16.2614 -16.2614 -3.3363 -3.3363 -1.7260 -1.7260 -0.9796 -0.9796 0.5768 0.5768 1.0122 1.0122 6.6498 6.6498 7.3399 7.3399 7.9235 7.9235 8.4158 8.4158 8.5175 8.5175 8.8214 8.8214 9.6883 9.6883 9.7437 9.7437 9.8888 9.8888 10.2390 10.2390 10.3617 10.3617 10.4178 10.4178 10.9470 10.9470 11.6317 11.6317 11.8177 11.8177 12.2951 12.2951 13.1804 13.1804 15.1035 15.1035 k =-0.2055 0.4651 0.8496 ( 8093 PWs) bands (ev): -80.3601 -80.3601 -80.3586 -80.3586 -46.0440 -46.0440 -46.0400 -46.0400 -44.3277 -44.3277 -44.3204 -44.3204 -44.2901 -44.2901 -44.2889 -44.2889 -16.2634 -16.2634 -3.3407 -3.3407 -1.7301 -1.7301 -0.9652 -0.9652 0.5635 0.5635 1.0300 1.0300 6.6293 6.6293 7.3603 7.3603 7.9382 7.9382 8.4391 8.4391 8.5211 8.5211 8.8121 8.8121 9.6947 9.6947 9.7585 9.7585 9.9068 9.9068 10.2492 10.2492 10.3507 10.3507 10.4055 10.4055 10.9597 10.9597 11.7174 11.7174 11.7971 11.7971 12.3408 12.3408 13.1139 13.1139 15.1301 15.1301 k =-0.2117 0.4793 0.8341 ( 8093 PWs) bands (ev): -80.3601 -80.3601 -80.3586 -80.3586 -46.0440 -46.0440 -46.0400 -46.0400 -44.3275 -44.3275 -44.3200 -44.3200 -44.2904 -44.2904 -44.2892 -44.2892 -16.2654 -16.2654 -3.3450 -3.3450 -1.7341 -1.7341 -0.9510 -0.9510 0.5513 0.5513 1.0463 1.0463 6.6093 6.6093 7.3781 7.3781 7.9532 7.9532 8.4616 8.4616 8.5249 8.5249 8.8032 8.8032 9.7008 9.7008 9.7740 9.7740 9.9247 9.9247 10.2570 10.2570 10.3404 10.3404 10.3934 10.3934 10.9738 10.9738 11.7602 11.7602 11.8171 11.8171 12.3866 12.3866 13.0523 13.0523 15.1678 15.1678 k =-0.2180 0.4934 0.8186 ( 8095 PWs) bands (ev): -80.3600 -80.3600 -80.3587 -80.3587 -46.0440 -46.0440 -46.0399 -46.0399 -44.3274 -44.3274 -44.3197 -44.3197 -44.2907 -44.2907 -44.2894 -44.2894 -16.2672 -16.2672 -3.3491 -3.3491 -1.7377 -1.7377 -0.9374 -0.9374 0.5400 0.5400 1.0612 1.0612 6.5901 6.5901 7.3934 7.3934 7.9683 7.9683 8.4824 8.4824 8.5295 8.5295 8.7945 8.7945 9.7068 9.7068 9.7893 9.7893 9.9426 9.9426 10.2616 10.2616 10.3312 10.3312 10.3820 10.3820 10.9897 10.9897 11.7320 11.7320 11.9051 11.9051 12.4319 12.4319 12.9954 12.9954 15.2147 15.2147 k =-0.2243 0.5076 0.8031 ( 8087 PWs) bands (ev): -80.3600 -80.3600 -80.3585 -80.3585 -46.0440 -46.0440 -46.0399 -46.0399 -44.3271 -44.3271 -44.3194 -44.3194 -44.2909 -44.2909 -44.2897 -44.2897 -16.2688 -16.2688 -3.3530 -3.3530 -1.7412 -1.7412 -0.9245 -0.9245 0.5299 0.5299 1.0745 1.0745 6.5720 6.5720 7.4063 7.4063 7.9833 7.9833 8.4999 8.4999 8.5367 8.5367 8.7855 8.7855 9.7129 9.7129 9.8044 9.8044 9.9607 9.9607 10.2627 10.2627 10.3237 10.3237 10.3719 10.3719 11.0080 11.0080 11.6973 11.6973 11.9966 11.9966 12.4768 12.4768 12.9435 12.9435 15.1249 15.1249 k =-0.2305 0.5218 0.7876 ( 8091 PWs) bands (ev): -80.3603 -80.3603 -80.3584 -80.3584 -46.0440 -46.0440 -46.0399 -46.0399 -44.3269 -44.3269 -44.3192 -44.3192 -44.2910 -44.2910 -44.2899 -44.2899 -16.2703 -16.2703 -3.3565 -3.3565 -1.7443 -1.7443 -0.9126 -0.9126 0.5208 0.5208 1.0863 1.0863 6.5552 6.5552 7.4171 7.4171 7.9978 7.9978 8.5109 8.5109 8.5493 8.5493 8.7759 8.7759 9.7181 9.7181 9.8184 9.8184 9.9783 9.9783 10.2598 10.2598 10.3168 10.3168 10.3637 10.3637 11.0283 11.0283 11.6592 11.6592 12.0867 12.0867 12.5207 12.5207 12.8968 12.8968 15.0058 15.0058 k =-0.2368 0.5360 0.7721 ( 8092 PWs) bands (ev): -80.3603 -80.3603 -80.3584 -80.3584 -46.0440 -46.0440 -46.0399 -46.0399 -44.3268 -44.3268 -44.3189 -44.3189 -44.2912 -44.2912 -44.2901 -44.2901 -16.2716 -16.2716 -3.3596 -3.3596 -1.7470 -1.7470 -0.9019 -0.9019 0.5129 0.5129 1.0966 1.0966 6.5401 6.5401 7.4259 7.4259 8.0113 8.0113 8.5161 8.5161 8.5669 8.5669 8.7658 8.7658 9.7233 9.7233 9.8311 9.8311 9.9952 9.9952 10.2535 10.2535 10.3114 10.3114 10.3578 10.3578 11.0506 11.0506 11.6193 11.6193 12.1726 12.1726 12.5642 12.5642 12.8555 12.8555 14.8848 14.8848 k =-0.2431 0.5502 0.7566 ( 8101 PWs) bands (ev): -80.3604 -80.3604 -80.3585 -80.3585 -46.0440 -46.0440 -46.0399 -46.0399 -44.3267 -44.3267 -44.3188 -44.3188 -44.2914 -44.2914 -44.2903 -44.2903 -16.2727 -16.2727 -3.3623 -3.3623 -1.7494 -1.7494 -0.8925 -0.8925 0.5062 0.5062 1.1052 1.1052 6.5268 6.5268 7.4330 7.4330 8.0236 8.0236 8.5182 8.5182 8.5864 8.5864 8.7546 8.7546 9.7278 9.7278 9.8423 9.8423 10.0110 10.0110 10.2449 10.2449 10.3058 10.3058 10.3545 10.3545 11.0746 11.0746 11.5784 11.5784 12.2510 12.2510 12.6067 12.6067 12.8201 12.8201 14.7675 14.7675 k =-0.2493 0.5644 0.7410 ( 8105 PWs) bands (ev): -80.3605 -80.3605 -80.3586 -80.3586 -46.0441 -46.0441 -46.0399 -46.0399 -44.3266 -44.3266 -44.3186 -44.3186 -44.2915 -44.2915 -44.2904 -44.2904 -16.2736 -16.2736 -3.3646 -3.3646 -1.7514 -1.7514 -0.8846 -0.8846 0.5007 0.5007 1.1124 1.1124 6.5156 6.5156 7.4385 7.4385 8.0343 8.0343 8.5190 8.5190 8.6065 8.6065 8.7424 8.7424 9.7319 9.7319 9.8519 9.8519 10.0257 10.0257 10.2354 10.2354 10.3002 10.3002 10.3532 10.3532 11.0999 11.0999 11.5385 11.5385 12.3188 12.3188 12.6479 12.6479 12.7912 12.7912 14.6597 14.6597 k =-0.2556 0.5786 0.7255 ( 8103 PWs) bands (ev): -80.3605 -80.3605 -80.3585 -80.3585 -46.0440 -46.0440 -46.0399 -46.0399 -44.3265 -44.3265 -44.3185 -44.3185 -44.2917 -44.2917 -44.2905 -44.2905 -16.2744 -16.2744 -3.3664 -3.3664 -1.7529 -1.7529 -0.8783 -0.8783 0.4964 0.4964 1.1179 1.1179 6.5067 6.5067 7.4427 7.4427 8.0432 8.0432 8.5193 8.5193 8.6265 8.6265 8.7292 8.7292 9.7353 9.7353 9.8596 9.8596 10.0387 10.0387 10.2261 10.2261 10.2954 10.2954 10.3531 10.3531 11.1254 11.1254 11.5014 11.5014 12.3732 12.3732 12.6856 12.6856 12.7697 12.7697 14.5669 14.5669 k =-0.2619 0.5927 0.7100 ( 8113 PWs) bands (ev): -80.3604 -80.3604 -80.3588 -80.3588 -46.0441 -46.0441 -46.0399 -46.0399 -44.3265 -44.3265 -44.3184 -44.3184 -44.2918 -44.2918 -44.2906 -44.2906 -16.2749 -16.2749 -3.3677 -3.3677 -1.7540 -1.7540 -0.8738 -0.8738 0.4933 0.4933 1.1219 1.1219 6.5002 6.5002 7.4455 7.4455 8.0496 8.0496 8.5192 8.5192 8.6455 8.6455 8.7147 8.7147 9.7377 9.7377 9.8651 9.8651 10.0489 10.0489 10.2178 10.2178 10.2914 10.2914 10.3532 10.3532 11.1480 11.1480 11.4698 11.4698 12.4120 12.4120 12.7128 12.7128 12.7587 12.7587 14.4948 14.4948 k =-0.2681 0.6069 0.6945 ( 8119 PWs) bands (ev): -80.3605 -80.3605 -80.3589 -80.3589 -46.0442 -46.0442 -46.0399 -46.0399 -44.3265 -44.3265 -44.3184 -44.3184 -44.2919 -44.2919 -44.2906 -44.2906 -16.2752 -16.2752 -3.3685 -3.3685 -1.7547 -1.7547 -0.8710 -0.8710 0.4915 0.4915 1.1242 1.1242 6.4963 6.4963 7.4472 7.4472 8.0535 8.0535 8.5190 8.5190 8.6635 8.6635 8.6997 8.6997 9.7392 9.7392 9.8685 9.8685 10.0556 10.0556 10.2121 10.2121 10.2888 10.2888 10.3534 10.3534 11.1647 11.1647 11.4474 11.4474 12.4352 12.4352 12.7222 12.7222 12.7618 12.7618 14.4489 14.4489 k =-0.2744 0.6211 0.6790 ( 8119 PWs) bands (ev): -80.3604 -80.3604 -80.3590 -80.3590 -46.0442 -46.0442 -46.0398 -46.0398 -44.3265 -44.3265 -44.3184 -44.3184 -44.2920 -44.2920 -44.2906 -44.2906 -16.2753 -16.2753 -3.3688 -3.3688 -1.7549 -1.7549 -0.8701 -0.8701 0.4909 0.4909 1.1250 1.1250 6.4950 6.4950 7.4477 7.4477 8.0549 8.0549 8.5190 8.5190 8.6758 8.6758 8.6884 8.6884 9.7398 9.7398 9.8697 9.8697 10.0578 10.0578 10.2102 10.2102 10.2877 10.2877 10.3534 10.3534 11.1710 11.1710 11.4394 11.4394 12.4431 12.4431 12.7225 12.7225 12.7662 12.7662 14.4330 14.4330 k =-0.2744 0.6211 0.6790 ( 8119 PWs) bands (ev): -80.3604 -80.3604 -80.3590 -80.3590 -46.0442 -46.0442 -46.0398 -46.0398 -44.3265 -44.3265 -44.3184 -44.3184 -44.2920 -44.2920 -44.2906 -44.2906 -16.2753 -16.2753 -3.3688 -3.3688 -1.7549 -1.7549 -0.8701 -0.8701 0.4909 0.4909 1.1250 1.1250 6.4950 6.4950 7.4477 7.4477 8.0549 8.0549 8.5190 8.5190 8.6758 8.6758 8.6884 8.6884 9.7398 9.7398 9.8697 9.8697 10.0578 10.0578 10.2102 10.2102 10.2877 10.2877 10.3534 10.3534 11.1710 11.1710 11.4394 11.4394 12.4431 12.4431 12.7225 12.7225 12.7662 12.7662 14.4330 14.4330 k =-0.2682 0.6070 0.6636 ( 8111 PWs) bands (ev): -80.3601 -80.3601 -80.3590 -80.3590 -46.0436 -46.0436 -46.0404 -46.0404 -44.3254 -44.3254 -44.3194 -44.3194 -44.2917 -44.2917 -44.2908 -44.2908 -16.2745 -16.2745 -3.3742 -3.3742 -1.7550 -1.7550 -0.8619 -0.8619 0.4955 0.4955 1.1173 1.1173 6.4845 6.4845 7.4674 7.4674 8.0276 8.0276 8.5011 8.5011 8.6887 8.6887 8.7012 8.7012 9.7702 9.7702 9.8814 9.8814 10.0254 10.0254 10.2005 10.2005 10.2728 10.2728 10.3460 10.3460 11.1343 11.1343 11.4388 11.4388 12.4583 12.4583 12.7132 12.7132 12.8102 12.8102 14.4424 14.4424 k =-0.2619 0.5929 0.6482 ( 8123 PWs) bands (ev): -80.3601 -80.3601 -80.3594 -80.3594 -46.0431 -46.0431 -46.0410 -46.0410 -44.3244 -44.3244 -44.3204 -44.3204 -44.2916 -44.2916 -44.2910 -44.2910 -16.2739 -16.2739 -3.3782 -3.3782 -1.7549 -1.7549 -0.8553 -0.8553 0.5024 0.5024 1.1061 1.1061 6.4790 6.4790 7.4887 7.4887 7.9964 7.9964 8.4842 8.4842 8.6949 8.6949 8.7190 8.7190 9.7980 9.7980 9.8935 9.8935 9.9937 9.9937 10.1919 10.1919 10.2595 10.2595 10.3397 10.3397 11.0988 11.0988 11.4399 11.4399 12.4726 12.4726 12.6765 12.6765 12.8818 12.8818 14.4570 14.4570 k =-0.2557 0.5788 0.6327 ( 8127 PWs) bands (ev): -80.3600 -80.3600 -80.3596 -80.3596 -46.0426 -46.0426 -46.0416 -46.0416 -44.3234 -44.3234 -44.3215 -44.3215 -44.2914 -44.2914 -44.2912 -44.2912 -16.2736 -16.2736 -3.3806 -3.3806 -1.7548 -1.7548 -0.8505 -0.8505 0.5119 0.5119 1.0917 1.0917 6.4786 6.4786 7.5116 7.5116 7.9615 7.9615 8.4685 8.4685 8.6992 8.6992 8.7379 8.7379 9.8221 9.8221 9.9044 9.9044 9.9665 9.9665 10.1852 10.1852 10.2497 10.2497 10.3355 10.3355 11.0655 11.0655 11.4431 11.4431 12.4872 12.4872 12.6355 12.6355 12.9581 12.9581 14.4766 14.4766 k =-0.2495 0.5646 0.6173 ( 8117 PWs) bands (ev): -80.3597 -80.3597 -80.3597 -80.3597 -46.0421 -46.0421 -46.0420 -46.0420 -44.3225 -44.3225 -44.3223 -44.3223 -44.2913 -44.2913 -44.2912 -44.2912 -16.2735 -16.2735 -3.3815 -3.3815 -1.7546 -1.7546 -0.8474 -0.8474 0.5238 0.5238 1.0740 1.0740 6.4831 6.4831 7.5361 7.5361 7.9232 7.9232 8.4541 8.4541 8.7021 8.7021 8.7572 8.7572 9.8410 9.8410 9.9042 9.9042 9.9570 9.9570 10.1795 10.1795 10.2433 10.2433 10.3333 10.3333 11.0349 11.0349 11.4488 11.4488 12.5014 12.5014 12.5924 12.5924 13.0378 13.0378 14.5010 14.5010 k =-0.2432 0.5505 0.6019 ( 8113 PWs) bands (ev): -80.3600 -80.3600 -80.3593 -80.3593 -46.0426 -46.0426 -46.0414 -46.0414 -44.3235 -44.3235 -44.3213 -44.3213 -44.2914 -44.2914 -44.2911 -44.2911 -16.2737 -16.2737 -3.3808 -3.3808 -1.7543 -1.7543 -0.8461 -0.8461 0.5382 0.5382 1.0532 1.0532 6.4923 6.4923 7.5621 7.5621 7.8815 7.8815 8.4408 8.4408 8.7039 8.7039 8.7762 8.7762 9.8480 9.8480 9.8903 9.8903 9.9719 9.9719 10.1744 10.1744 10.2409 10.2409 10.3332 10.3332 11.0068 11.0068 11.4564 11.4564 12.5129 12.5129 12.5492 12.5492 13.1195 13.1195 14.5298 14.5298 k =-0.2370 0.5364 0.5864 ( 8111 PWs) bands (ev): -80.3602 -80.3602 -80.3590 -80.3590 -46.0431 -46.0431 -46.0409 -46.0409 -44.3245 -44.3245 -44.3203 -44.3203 -44.2916 -44.2916 -44.2909 -44.2909 -16.2741 -16.2741 -3.3786 -3.3786 -1.7540 -1.7540 -0.8465 -0.8465 0.5550 0.5550 1.0295 1.0295 6.5061 6.5061 7.5895 7.5895 7.8369 7.8369 8.4288 8.4288 8.7042 8.7042 8.7953 8.7953 9.8321 9.8321 9.8886 9.8886 9.9971 9.9971 10.1698 10.1698 10.2416 10.2416 10.3350 10.3350 10.9815 10.9815 11.4666 11.4666 12.4922 12.4922 12.5367 12.5367 13.2022 13.2022 14.5626 14.5626 k =-0.2307 0.5223 0.5710 ( 8105 PWs) bands (ev): -80.3601 -80.3601 -80.3589 -80.3589 -46.0437 -46.0437 -46.0403 -46.0403 -44.3255 -44.3255 -44.3192 -44.3192 -44.2918 -44.2918 -44.2907 -44.2907 -16.2747 -16.2747 -3.3749 -3.3749 -1.7536 -1.7536 -0.8487 -0.8487 0.5740 0.5740 1.0031 1.0031 6.5240 6.5240 7.6184 7.6184 7.7898 7.7898 8.4177 8.4177 8.7032 8.7032 8.8140 8.8140 9.8038 9.8038 9.8950 9.8950 10.0256 10.0256 10.1671 10.1671 10.2465 10.2465 10.3396 10.3396 10.9592 10.9592 11.4788 11.4788 12.4450 12.4450 12.5493 12.5493 13.2855 13.2855 14.5990 14.5990 k =-0.2245 0.5082 0.5556 ( 8107 PWs) bands (ev): -80.3602 -80.3602 -80.3588 -80.3588 -46.0443 -46.0443 -46.0397 -46.0397 -44.3266 -44.3266 -44.3181 -44.3181 -44.2920 -44.2920 -44.2905 -44.2905 -16.2755 -16.2755 -3.3696 -3.3696 -1.7531 -1.7531 -0.8525 -0.8525 0.5951 0.5951 0.9741 0.9741 6.5457 6.5457 7.6486 7.6486 7.7407 7.7407 8.4078 8.4078 8.7011 8.7011 8.8323 8.8323 9.7725 9.7725 9.9023 9.9023 10.0551 10.0551 10.1653 10.1653 10.2533 10.2533 10.3462 10.3462 10.9399 10.9399 11.4934 11.4934 12.3950 12.3950 12.5638 12.5638 13.3688 13.3688 14.6386 14.6386 k =-0.2183 0.4941 0.5401 ( 8113 PWs) bands (ev): -80.3605 -80.3605 -80.3588 -80.3588 -46.0449 -46.0449 -46.0391 -46.0391 -44.3276 -44.3276 -44.3171 -44.3171 -44.2922 -44.2922 -44.2903 -44.2903 -16.2766 -16.2766 -3.3629 -3.3629 -1.7523 -1.7523 -0.8579 -0.8579 0.6179 0.6179 0.9429 0.9429 6.5707 6.5707 7.6802 7.6802 7.6904 7.6904 8.3988 8.3988 8.6978 8.6978 8.8502 8.8502 9.7401 9.7401 9.9091 9.9091 10.0838 10.0838 10.1666 10.1666 10.2619 10.2619 10.3549 10.3549 10.9238 10.9238 11.5104 11.5104 12.3437 12.3437 12.5792 12.5792 13.4513 13.4513 14.6809 14.6809 k =-0.2120 0.4799 0.5247 ( 8113 PWs) bands (ev): -80.3608 -80.3608 -80.3585 -80.3585 -46.0454 -46.0454 -46.0386 -46.0386 -44.3286 -44.3286 -44.3162 -44.3162 -44.2924 -44.2924 -44.2902 -44.2902 -16.2779 -16.2779 -3.3548 -3.3548 -1.7513 -1.7513 -0.8646 -0.8646 0.6421 0.6421 0.9099 0.9099 6.5981 6.5981 7.6395 7.6395 7.7133 7.7133 8.3910 8.3910 8.6933 8.6933 8.8680 8.8680 9.7074 9.7074 9.9157 9.9157 10.1097 10.1097 10.1724 10.1724 10.2728 10.2728 10.3658 10.3658 10.9111 10.9111 11.5301 11.5301 12.2924 12.2924 12.5952 12.5952 13.5322 13.5322 14.7253 14.7253 k =-0.2058 0.4658 0.5093 ( 8117 PWs) bands (ev): -80.3609 -80.3609 -80.3585 -80.3585 -46.0459 -46.0459 -46.0381 -46.0381 -44.3296 -44.3296 -44.3151 -44.3151 -44.2926 -44.2926 -44.2900 -44.2900 -16.2794 -16.2794 -3.3454 -3.3454 -1.7499 -1.7499 -0.8725 -0.8725 0.6668 0.6668 0.8759 0.8759 6.6272 6.6272 7.5891 7.5891 7.7476 7.7476 8.3841 8.3841 8.6874 8.6874 8.8853 8.8853 9.6751 9.6751 9.9216 9.9216 10.1281 10.1281 10.1867 10.1867 10.2856 10.2856 10.3791 10.3791 10.9015 10.9015 11.5522 11.5522 12.2410 12.2410 12.6117 12.6117 13.6102 13.6102 14.7711 14.7711 k =-0.1996 0.4517 0.4938 ( 8113 PWs) bands (ev): -80.3611 -80.3611 -80.3582 -80.3582 -46.0464 -46.0464 -46.0376 -46.0376 -44.3306 -44.3306 -44.3141 -44.3141 -44.2927 -44.2927 -44.2898 -44.2898 -16.2811 -16.2811 -3.3348 -3.3348 -1.7481 -1.7481 -0.8815 -0.8815 0.6903 0.6903 0.8426 0.8426 6.6568 6.6568 7.5406 7.5406 7.7832 7.7832 8.3782 8.3782 8.6807 8.6807 8.9024 8.9024 9.6431 9.6431 9.9273 9.9273 10.1387 10.1387 10.2105 10.2105 10.2994 10.2994 10.3940 10.3940 10.8955 10.8955 11.5770 11.5770 12.1901 12.1901 12.6293 12.6293 13.6843 13.6843 14.8179 14.8179 k =-0.1933 0.4376 0.4784 ( 8099 PWs) bands (ev): -80.3612 -80.3612 -80.3577 -80.3577 -46.0469 -46.0469 -46.0370 -46.0370 -44.3315 -44.3315 -44.3131 -44.3131 -44.2929 -44.2929 -44.2896 -44.2896 -16.2829 -16.2829 -3.3231 -3.3231 -1.7458 -1.7458 -0.8914 -0.8914 0.7074 0.7074 0.8150 0.8150 6.6853 6.6853 7.4955 7.4955 7.8203 7.8203 8.3731 8.3731 8.6732 8.6732 8.9191 8.9191 9.6114 9.6114 9.9329 9.9329 10.1457 10.1457 10.2396 10.2396 10.3147 10.3147 10.4108 10.4108 10.8935 10.8935 11.6042 11.6042 12.1399 12.1399 12.6482 12.6482 13.7529 13.7529 14.8652 14.8652 k =-0.1871 0.4235 0.4630 ( 8103 PWs) bands (ev): -80.3616 -80.3616 -80.3575 -80.3575 -46.0474 -46.0474 -46.0365 -46.0365 -44.3324 -44.3324 -44.3122 -44.3122 -44.2930 -44.2930 -44.2895 -44.2895 -16.2850 -16.2850 -3.3103 -3.3103 -1.7428 -1.7428 -0.9020 -0.9020 0.7051 0.7051 0.8062 0.8062 6.7107 6.7107 7.4556 7.4556 7.8586 7.8586 8.3689 8.3689 8.6645 8.6645 8.9352 8.9352 9.5801 9.5801 9.9373 9.9373 10.1509 10.1509 10.2702 10.2702 10.3307 10.3307 10.4279 10.4279 10.8941 10.8941 11.6339 11.6339 12.0903 12.0903 12.6678 12.6678 13.8136 13.8136 14.9121 14.9121 k =-0.1809 0.4094 0.4475 ( 8107 PWs) bands (ev): -80.3616 -80.3616 -80.3575 -80.3575 -46.0480 -46.0480 -46.0360 -46.0360 -44.3334 -44.3334 -44.3112 -44.3112 -44.2932 -44.2932 -44.2893 -44.2893 -16.2872 -16.2872 -3.2967 -3.2967 -1.7391 -1.7391 -0.9132 -0.9132 0.6789 0.6789 0.8208 0.8208 6.7305 6.7305 7.4235 7.4235 7.8982 7.8982 8.3654 8.3654 8.6547 8.6547 8.9508 8.9508 9.5496 9.5496 9.9408 9.9408 10.1563 10.1563 10.3012 10.3012 10.3480 10.3480 10.4468 10.4468 10.8978 10.8978 11.6660 11.6660 12.0416 12.0416 12.6886 12.6886 13.8637 13.8637 14.9581 14.9581 k =-0.1746 0.3952 0.4321 ( 8107 PWs) bands (ev): -80.3618 -80.3618 -80.3573 -80.3573 -46.0484 -46.0484 -46.0355 -46.0355 -44.3343 -44.3343 -44.3103 -44.3103 -44.2934 -44.2934 -44.2891 -44.2891 -16.2896 -16.2896 -3.2823 -3.2823 -1.7345 -1.7345 -0.9248 -0.9248 0.6409 0.6409 0.8464 0.8464 6.7420 6.7420 7.4020 7.4020 7.9391 7.9391 8.3628 8.3628 8.6444 8.6444 8.9658 8.9658 9.5197 9.5197 9.9438 9.9438 10.1618 10.1618 10.3319 10.3319 10.3669 10.3669 10.4667 10.4667 10.9050 10.9050 11.7007 11.7007 11.9940 11.9940 12.7107 12.7107 13.9008 13.9008 15.0029 15.0029 k =-0.1684 0.3811 0.4167 ( 8107 PWs) bands (ev): -80.3621 -80.3621 -80.3571 -80.3571 -46.0489 -46.0489 -46.0350 -46.0350 -44.3352 -44.3352 -44.3094 -44.3094 -44.2935 -44.2935 -44.2889 -44.2889 -16.2921 -16.2921 -3.2674 -3.2674 -1.7290 -1.7290 -0.9367 -0.9367 0.5981 0.5981 0.8760 0.8760 6.7429 6.7429 7.3933 7.3933 7.9813 7.9813 8.3609 8.3609 8.6333 8.6333 8.9804 8.9804 9.4904 9.4904 9.9458 9.9458 10.1673 10.1673 10.3621 10.3621 10.3875 10.3875 10.4876 10.4876 10.9154 10.9154 11.7379 11.7379 11.9480 11.9480 12.7339 12.7339 13.9215 13.9215 15.0458 15.0458 k =-0.1621 0.3670 0.4012 ( 8109 PWs) bands (ev): -80.3622 -80.3622 -80.3571 -80.3571 -46.0494 -46.0494 -46.0345 -46.0345 -44.3361 -44.3361 -44.3085 -44.3085 -44.2937 -44.2937 -44.2888 -44.2888 -16.2947 -16.2947 -3.2520 -3.2520 -1.7223 -1.7223 -0.9486 -0.9486 0.5530 0.5530 0.9072 0.9072 6.7318 6.7318 7.3986 7.3986 8.0247 8.0247 8.3597 8.3597 8.6216 8.6216 8.9942 8.9942 9.4618 9.4618 9.9470 9.9470 10.1737 10.1737 10.3906 10.3906 10.4097 10.4097 10.5095 10.5095 10.9287 10.9287 11.7773 11.7773 11.9032 11.9032 12.7584 12.7584 13.9230 13.9230 15.0865 15.0865 k =-0.1559 0.3529 0.3858 ( 8101 PWs) bands (ev): -80.3623 -80.3623 -80.3567 -80.3567 -46.0498 -46.0498 -46.0341 -46.0341 -44.3369 -44.3369 -44.3076 -44.3076 -44.2938 -44.2938 -44.2886 -44.2886 -16.2974 -16.2974 -3.2363 -3.2363 -1.7145 -1.7145 -0.9606 -0.9606 0.5063 0.5063 0.9391 0.9391 6.7093 6.7093 7.4173 7.4173 8.0693 8.0693 8.3592 8.3592 8.6099 8.6099 9.0077 9.0077 9.4337 9.4337 9.9471 9.9471 10.1804 10.1804 10.4172 10.4172 10.4351 10.4351 10.5326 10.5326 10.9451 10.9451 11.8182 11.8182 11.8616 11.8616 12.7845 12.7845 13.9041 13.9041 15.1247 15.1247 k =-0.1497 0.3388 0.3704 ( 8109 PWs) bands (ev): -80.3625 -80.3625 -80.3568 -80.3568 -46.0503 -46.0503 -46.0336 -46.0336 -44.3377 -44.3377 -44.3068 -44.3068 -44.2940 -44.2940 -44.2884 -44.2884 -16.3002 -16.3002 -3.2205 -3.2205 -1.7053 -1.7053 -0.9723 -0.9723 0.4585 0.4585 0.9712 0.9712 6.6771 6.6771 7.4474 7.4474 8.1148 8.1148 8.3594 8.3594 8.5974 8.5974 9.0202 9.0202 9.4064 9.4064 9.9461 9.9461 10.1873 10.1873 10.4408 10.4408 10.4616 10.4616 10.5560 10.5560 10.9641 10.9641 11.8166 11.8166 11.8653 11.8653 12.8110 12.8110 13.8648 13.8648 15.1597 15.1597 k =-0.1434 0.3247 0.3549 ( 8115 PWs) bands (ev): -80.3628 -80.3628 -80.3567 -80.3567 -46.0508 -46.0508 -46.0332 -46.0332 -44.3386 -44.3386 -44.3060 -44.3060 -44.2942 -44.2942 -44.2883 -44.2883 -16.3031 -16.3031 -3.2048 -3.2048 -1.6948 -1.6948 -0.9838 -0.9838 0.4100 0.4100 1.0031 1.0031 6.6375 6.6375 7.4868 7.4868 8.1611 8.1611 8.3604 8.3604 8.5853 8.5853 9.0321 9.0321 9.3793 9.3793 9.9439 9.9439 10.1946 10.1946 10.4636 10.4636 10.4889 10.4889 10.5800 10.5800 10.9858 10.9858 11.7773 11.7773 11.9106 11.9106 12.8390 12.8390 13.8076 13.8076 15.1908 15.1908 k =-0.1372 0.3106 0.3395 ( 8111 PWs) bands (ev): -80.3629 -80.3629 -80.3564 -80.3564 -46.0512 -46.0512 -46.0328 -46.0328 -44.3393 -44.3393 -44.3051 -44.3051 -44.2943 -44.2943 -44.2882 -44.2882 -16.3060 -16.3060 -3.1892 -3.1892 -1.6828 -1.6828 -0.9948 -0.9948 0.3608 0.3608 1.0346 1.0346 6.5926 6.5926 7.5328 7.5328 8.2076 8.2076 8.3627 8.3627 8.5733 8.5733 9.0435 9.0435 9.3536 9.3536 9.9408 9.9408 10.2018 10.2018 10.4862 10.4862 10.5168 10.5168 10.6050 10.6050 11.0103 11.0103 11.7396 11.7396 11.9586 11.9586 12.8676 12.8676 13.7361 13.7361 15.2153 15.2153 k =-0.1310 0.2964 0.3241 ( 8095 PWs) bands (ev): -80.3626 -80.3626 -80.3563 -80.3563 -46.0516 -46.0516 -46.0322 -46.0322 -44.3401 -44.3401 -44.3043 -44.3043 -44.2944 -44.2944 -44.2879 -44.2879 -16.3090 -16.3090 -3.1739 -3.1739 -1.6694 -1.6694 -1.0053 -1.0053 0.3113 0.3113 1.0655 1.0655 6.5444 6.5444 7.5837 7.5837 8.2532 8.2532 8.3669 8.3669 8.5617 8.5617 9.0544 9.0544 9.3293 9.3293 9.9378 9.9378 10.2101 10.2101 10.5087 10.5087 10.5444 10.5444 10.6305 10.6305 11.0372 11.0372 11.7034 11.7034 12.0085 12.0085 12.8969 12.8969 13.6545 13.6545 15.2316 15.2316 k =-0.1247 0.2823 0.3086 ( 8095 PWs) bands (ev): -80.3627 -80.3627 -80.3562 -80.3562 -46.0520 -46.0520 -46.0318 -46.0318 -44.3408 -44.3408 -44.3035 -44.3035 -44.2945 -44.2945 -44.2878 -44.2878 -16.3119 -16.3119 -3.1591 -3.1591 -1.6544 -1.6544 -1.0151 -1.0151 0.2613 0.2613 1.0957 1.0957 6.4941 6.4941 7.6376 7.6376 8.2949 8.2949 8.3755 8.3755 8.5509 8.5509 9.0643 9.0643 9.3053 9.3053 9.9332 9.9332 10.2175 10.2175 10.5307 10.5307 10.5709 10.5709 10.6557 10.6557 11.0663 11.0663 11.6688 11.6688 12.0599 12.0599 12.9263 12.9263 13.5666 13.5666 15.2430 15.2430 k =-0.1185 0.2682 0.2932 ( 8087 PWs) bands (ev): -80.3626 -80.3626 -80.3560 -80.3560 -46.0524 -46.0524 -46.0314 -46.0314 -44.3415 -44.3415 -44.3027 -44.3027 -44.2947 -44.2947 -44.2876 -44.2876 -16.3149 -16.3149 -3.1449 -3.1449 -1.6380 -1.6380 -1.0240 -1.0240 0.2112 0.2112 1.1251 1.1251 6.4428 6.4428 7.6936 7.6936 8.3259 8.3259 8.3943 8.3943 8.5417 8.5417 9.0736 9.0736 9.2826 9.2826 9.9283 9.9283 10.2248 10.2248 10.5525 10.5525 10.5970 10.5970 10.6815 10.6815 11.0980 11.0980 11.6361 11.6361 12.1126 12.1126 12.9551 12.9551 13.4760 13.4760 15.2511 15.2511 k =-0.1123 0.2541 0.2778 ( 8091 PWs) bands (ev): -80.3629 -80.3629 -80.3559 -80.3559 -46.0527 -46.0527 -46.0310 -46.0310 -44.3422 -44.3422 -44.3021 -44.3021 -44.2947 -44.2947 -44.2875 -44.2875 -16.3179 -16.3179 -3.1313 -3.1313 -1.6201 -1.6201 -1.0319 -1.0319 0.1609 0.1609 1.1534 1.1534 6.3914 6.3914 7.7504 7.7504 8.3420 8.3420 8.4249 8.4249 8.5370 8.5370 9.0820 9.0820 9.2603 9.2603 9.9225 9.9225 10.2312 10.2312 10.5738 10.5738 10.6220 10.6220 10.7061 10.7061 11.1314 11.1314 11.6048 11.6048 12.1665 12.1665 12.9833 12.9833 13.3855 13.3855 15.2545 15.2545 k =-0.1060 0.2400 0.2623 ( 8103 PWs) bands (ev): -80.3631 -80.3631 -80.3560 -80.3560 -46.0532 -46.0532 -46.0307 -46.0307 -44.3429 -44.3429 -44.3014 -44.3014 -44.2949 -44.2949 -44.2874 -44.2874 -16.3208 -16.3208 -3.1186 -3.1186 -1.6010 -1.6010 -1.0386 -1.0386 0.1106 0.1106 1.1806 1.1806 6.3405 6.3405 7.8070 7.8070 8.3496 8.3496 8.4534 8.4534 8.5434 8.5434 9.0896 9.0896 9.2387 9.2387 9.9164 9.9164 10.2367 10.2367 10.5945 10.5945 10.6460 10.6460 10.7303 10.7303 11.1661 11.1661 11.5753 11.5753 12.2211 12.2211 13.0100 13.0100 13.2972 13.2972 15.2512 15.2512 k =-0.0998 0.2259 0.2469 ( 8099 PWs) bands (ev): -80.3633 -80.3633 -80.3557 -80.3557 -46.0534 -46.0534 -46.0304 -46.0304 -44.3434 -44.3434 -44.3008 -44.3008 -44.2950 -44.2950 -44.2873 -44.2873 -16.3236 -16.3236 -3.1066 -3.1066 -1.5807 -1.5807 -1.0439 -1.0439 0.0603 0.0603 1.2066 1.2066 6.2905 6.2905 7.8636 7.8636 8.3543 8.3543 8.4660 8.4660 8.5703 8.5703 9.0967 9.0967 9.2183 9.2183 9.9098 9.9098 10.2419 10.2419 10.6155 10.6155 10.6696 10.6696 10.7536 10.7536 11.2027 11.2027 11.5482 11.5482 12.2762 12.2762 13.0344 13.0344 13.2147 13.2147 15.2390 15.2390 k =-0.0935 0.2117 0.2315 ( 8099 PWs) bands (ev): -80.3634 -80.3634 -80.3556 -80.3556 -46.0538 -46.0538 -46.0301 -46.0301 -44.3440 -44.3440 -44.3002 -44.3002 -44.2951 -44.2951 -44.2872 -44.2872 -16.3264 -16.3264 -3.0955 -3.0955 -1.5596 -1.5596 -1.0475 -1.0475 0.0101 0.0101 1.2313 1.2313 6.2419 6.2419 7.9186 7.9186 8.3577 8.3577 8.4654 8.4654 8.6120 8.6120 9.1028 9.1028 9.1993 9.1993 9.9033 9.9033 10.2463 10.2463 10.6366 10.6366 10.6920 10.6920 10.7761 10.7761 11.2398 11.2398 11.5226 11.5226 12.3314 12.3314 13.0517 13.0517 13.1425 13.1425 15.2164 15.2164 k =-0.0873 0.1976 0.2161 ( 8097 PWs) bands (ev): -80.3636 -80.3636 -80.3554 -80.3554 -46.0540 -46.0540 -46.0298 -46.0298 -44.3445 -44.3445 -44.2997 -44.2997 -44.2952 -44.2952 -44.2871 -44.2871 -16.3290 -16.3290 -3.0853 -3.0853 -1.5379 -1.5379 -1.0493 -1.0493 -0.0400 -0.0400 1.2546 1.2546 6.1950 6.1950 7.9719 7.9719 8.3607 8.3607 8.4600 8.4600 8.6595 8.6595 9.1080 9.1080 9.1822 9.1822 9.8965 9.8965 10.2494 10.2494 10.6574 10.6574 10.7135 10.7135 10.7973 10.7973 11.2770 11.2770 11.4991 11.4991 12.3862 12.3862 13.0366 13.0366 13.1077 13.1077 15.1822 15.1822 k =-0.0811 0.1835 0.2006 ( 8093 PWs) bands (ev): -80.3637 -80.3637 -80.3552 -80.3552 -46.0543 -46.0543 -46.0295 -46.0295 -44.3450 -44.3450 -44.2991 -44.2991 -44.2952 -44.2952 -44.2870 -44.2870 -16.3316 -16.3316 -3.0761 -3.0761 -1.5160 -1.5160 -1.0488 -1.0488 -0.0900 -0.0900 1.2766 1.2766 6.1502 6.1502 8.0231 8.0231 8.3636 8.3636 8.4530 8.4530 8.7087 8.7087 9.1117 9.1117 9.1673 9.1673 9.8899 9.8899 10.2510 10.2510 10.6782 10.6782 10.7340 10.7340 10.8177 10.8177 11.3137 11.3137 11.4774 11.4774 12.4405 12.4405 12.9845 12.9845 13.1157 13.1157 15.1362 15.1362 k =-0.0748 0.1694 0.1852 ( 8091 PWs) bands (ev): -80.3638 -80.3638 -80.3551 -80.3551 -46.0545 -46.0545 -46.0292 -46.0292 -44.3455 -44.3455 -44.2986 -44.2986 -44.2953 -44.2953 -44.2869 -44.2869 -16.3340 -16.3340 -3.0677 -3.0677 -1.4943 -1.4943 -1.0458 -1.0458 -0.1396 -0.1396 1.2970 1.2970 6.1077 6.1077 8.0714 8.0714 8.3659 8.3659 8.4461 8.4461 8.7578 8.7578 9.1128 9.1128 9.1559 9.1559 9.8835 9.8835 10.2515 10.2515 10.6989 10.6989 10.7534 10.7534 10.8367 10.8367 11.3482 11.3482 11.4587 11.4587 12.4926 12.4926 12.9330 12.9330 13.1297 13.1297 15.0792 15.0792 k =-0.0686 0.1553 0.1698 ( 8091 PWs) bands (ev): -80.3637 -80.3637 -80.3551 -80.3551 -46.0548 -46.0548 -46.0290 -46.0290 -44.3459 -44.3459 -44.2982 -44.2982 -44.2954 -44.2954 -44.2868 -44.2868 -16.3363 -16.3363 -3.0602 -3.0602 -1.4733 -1.4733 -1.0400 -1.0400 -0.1890 -0.1890 1.3160 1.3160 6.0677 6.0677 8.1163 8.1163 8.3681 8.3681 8.4394 8.4394 8.8059 8.8059 9.1096 9.1096 9.1498 9.1498 9.8773 9.8773 10.2506 10.2506 10.7197 10.7197 10.7717 10.7717 10.8549 10.8549 11.3784 11.3784 11.4427 11.4427 12.5424 12.5424 12.8903 12.8903 13.1425 13.1425 15.0128 15.0128 k =-0.0624 0.1412 0.1543 ( 8079 PWs) bands (ev): -80.3636 -80.3636 -80.3549 -80.3549 -46.0550 -46.0550 -46.0287 -46.0287 -44.3463 -44.3463 -44.2977 -44.2977 -44.2954 -44.2954 -44.2866 -44.2866 -16.3385 -16.3385 -3.0536 -3.0536 -1.4535 -1.4535 -1.0309 -1.0309 -0.2379 -0.2379 1.3334 1.3334 6.0305 6.0305 8.1578 8.1578 8.3705 8.3705 8.4335 8.4335 8.8521 8.8521 9.1025 9.1025 9.1492 9.1492 9.8716 9.8716 10.2488 10.2488 10.7400 10.7400 10.7891 10.7891 10.8725 10.8725 11.3975 11.3975 11.4378 11.4378 12.5887 12.5887 12.8593 12.8593 13.1528 13.1528 14.9391 14.9391 k =-0.0561 0.1270 0.1389 ( 8079 PWs) bands (ev): -80.3635 -80.3635 -80.3550 -80.3550 -46.0552 -46.0552 -46.0284 -46.0284 -44.3467 -44.3467 -44.2973 -44.2973 -44.2955 -44.2955 -44.2865 -44.2865 -16.3405 -16.3405 -3.0478 -3.0478 -1.4353 -1.4353 -1.0183 -1.0183 -0.2864 -0.2864 1.3492 1.3492 5.9962 5.9962 8.1949 8.1949 8.3730 8.3730 8.4284 8.4284 8.8957 8.8957 9.0929 9.0929 9.1517 9.1517 9.8661 9.8661 10.2457 10.2457 10.7602 10.7602 10.8045 10.8045 10.8884 10.8884 11.3951 11.3951 11.4513 11.4513 12.6298 12.6298 12.8411 12.8411 13.1607 13.1607 14.8607 14.8607 k =-0.0499 0.1129 0.1235 ( 8083 PWs) bands (ev): -80.3637 -80.3637 -80.3549 -80.3549 -46.0554 -46.0554 -46.0283 -46.0283 -44.3470 -44.3470 -44.2969 -44.2969 -44.2956 -44.2956 -44.2865 -44.2865 -16.3423 -16.3423 -3.0427 -3.0427 -1.4191 -1.4191 -1.0021 -1.0021 -0.3343 -0.3343 1.3634 1.3634 5.9650 5.9650 8.2275 8.2275 8.3762 8.3762 8.4243 8.4243 8.9356 8.9356 9.0825 9.0825 9.1561 9.1561 9.8609 9.8609 10.2415 10.2415 10.7788 10.7788 10.8184 10.8184 10.9031 10.9031 11.3846 11.3846 11.4703 11.4703 12.6644 12.6644 12.8371 12.8371 13.1660 13.1660 14.7801 14.7801 k =-0.0437 0.0988 0.1080 ( 8087 PWs) bands (ev): -80.3638 -80.3638 -80.3550 -80.3550 -46.0556 -46.0556 -46.0281 -46.0281 -44.3473 -44.3473 -44.2966 -44.2966 -44.2957 -44.2957 -44.2864 -44.2864 -16.3439 -16.3439 -3.0384 -3.0384 -1.4052 -1.4052 -0.9823 -0.9823 -0.3814 -0.3814 1.3760 1.3760 5.9371 5.9371 8.2548 8.2548 8.3803 8.3803 8.4210 8.4210 8.9714 8.9714 9.0728 9.0728 9.1619 9.1619 9.8563 9.8563 10.2366 10.2366 10.7967 10.7967 10.8308 10.8308 10.9167 10.9167 11.3732 11.3732 11.4870 11.4870 12.6917 12.6917 12.8466 12.8466 13.1691 13.1691 14.6996 14.6996 k =-0.0374 0.0847 0.0926 ( 8087 PWs) bands (ev): -80.3638 -80.3638 -80.3549 -80.3549 -46.0557 -46.0557 -46.0280 -46.0280 -44.3476 -44.3476 -44.2964 -44.2964 -44.2957 -44.2957 -44.2864 -44.2864 -16.3453 -16.3453 -3.0348 -3.0348 -1.3935 -1.3935 -0.9592 -0.9592 -0.4275 -0.4275 1.3870 1.3870 5.9126 5.9126 8.2764 8.2764 8.3858 8.3858 8.4188 8.4188 9.0021 9.0021 9.0644 9.0644 9.1689 9.1689 9.8523 9.8523 10.2315 10.2315 10.8127 10.8127 10.8417 10.8417 10.9289 10.9289 11.3632 11.3632 11.5001 11.5001 12.7131 12.7131 12.8660 12.8660 13.1706 13.1706 14.6218 14.6218 k =-0.0312 0.0706 0.0772 ( 8089 PWs) bands (ev): -80.3639 -80.3639 -80.3549 -80.3549 -46.0558 -46.0558 -46.0279 -46.0279 -44.3478 -44.3478 -44.2962 -44.2962 -44.2958 -44.2958 -44.2864 -44.2864 -16.3466 -16.3466 -3.0318 -3.0318 -1.3841 -1.3841 -0.9333 -0.9333 -0.4722 -0.4722 1.3962 1.3962 5.8917 5.8917 8.2921 8.2921 8.3927 8.3927 8.4176 8.4176 9.0269 9.0269 9.0573 9.0573 9.1770 9.1770 9.8488 9.8488 10.2265 10.2265 10.8266 10.8266 10.8510 10.8510 10.9397 10.9397 11.3544 11.3544 11.5095 11.5095 12.7309 12.7309 12.8904 12.8904 13.1710 13.1710 14.5491 14.5491 k =-0.0249 0.0565 0.0617 ( 8089 PWs) bands (ev): -80.3638 -80.3638 -80.3550 -80.3550 -46.0560 -46.0560 -46.0277 -46.0277 -44.3480 -44.3480 -44.2960 -44.2960 -44.2958 -44.2958 -44.2863 -44.2863 -16.3476 -16.3476 -3.0294 -3.0294 -1.3768 -1.3768 -0.9055 -0.9055 -0.5149 -0.5149 1.4038 1.4038 5.8744 5.8744 8.3025 8.3025 8.4000 8.4000 8.4171 8.4171 9.0445 9.0445 9.0532 9.0532 9.1859 9.1859 9.8460 9.8460 10.2217 10.2217 10.8389 10.8389 10.8589 10.8589 10.9493 10.9493 11.3468 11.3468 11.5160 11.5160 12.7466 12.7466 12.9154 12.9154 13.1705 13.1705 14.4841 14.4841 k =-0.0187 0.0423 0.0463 ( 8081 PWs) bands (ev): -80.3636 -80.3636 -80.3549 -80.3549 -46.0560 -46.0560 -46.0276 -46.0276 -44.3481 -44.3481 -44.2958 -44.2958 -44.2958 -44.2958 -44.2862 -44.2862 -16.3484 -16.3484 -3.0276 -3.0276 -1.3713 -1.3713 -0.8772 -0.8772 -0.5544 -0.5544 1.4098 1.4098 5.8609 5.8609 8.3091 8.3091 8.4063 8.4063 8.4180 8.4180 9.0456 9.0456 9.0617 9.0617 9.1945 9.1945 9.8443 9.8443 10.2175 10.2175 10.8486 10.8486 10.8653 10.8653 10.9572 10.9572 11.3411 11.3411 11.5200 11.5200 12.7604 12.7604 12.9384 12.9384 13.1698 13.1698 14.4296 14.4296 k =-0.0125 0.0282 0.0309 ( 8079 PWs) bands (ev): -80.3637 -80.3637 -80.3548 -80.3548 -46.0560 -46.0560 -46.0276 -46.0276 -44.3482 -44.3482 -44.2958 -44.2958 -44.2957 -44.2957 -44.2862 -44.2862 -16.3489 -16.3489 -3.0264 -3.0264 -1.3676 -1.3676 -0.8508 -0.8508 -0.5886 -0.5886 1.4140 1.4140 5.8512 5.8512 8.3127 8.3127 8.4092 8.4092 8.4209 8.4209 9.0423 9.0423 9.0704 9.0704 9.2017 9.2017 9.8428 9.8428 10.2147 10.2147 10.8550 10.8550 10.8700 10.8700 10.9629 10.9629 11.3391 11.3391 11.5224 11.5224 12.7712 12.7712 12.9565 12.9565 13.1689 13.1689 14.3882 14.3882 k =-0.0062 0.0141 0.0154 ( 8079 PWs) bands (ev): -80.3636 -80.3636 -80.3549 -80.3549 -46.0561 -46.0561 -46.0275 -46.0275 -44.3483 -44.3483 -44.2958 -44.2958 -44.2956 -44.2956 -44.2862 -44.2862 -16.3493 -16.3493 -3.0256 -3.0256 -1.3655 -1.3655 -0.8305 -0.8305 -0.6135 -0.6135 1.4165 1.4165 5.8454 5.8454 8.3148 8.3148 8.4105 8.4105 8.4239 8.4239 9.0402 9.0402 9.0754 9.0754 9.2066 9.2066 9.8420 9.8420 10.2124 10.2124 10.8589 10.8589 10.8736 10.8736 10.9670 10.9670 11.3347 11.3347 11.5236 11.5236 12.7781 12.7781 12.9682 12.9682 13.1687 13.1687 14.3623 14.3623 k = 0.0000 0.0000 0.0000 ( 8083 PWs) bands (ev): -80.3636 -80.3636 -80.3550 -80.3550 -46.0562 -46.0562 -46.0275 -46.0275 -44.3483 -44.3483 -44.2959 -44.2959 -44.2955 -44.2955 -44.2862 -44.2862 -16.3494 -16.3494 -3.0254 -3.0254 -1.3648 -1.3648 -0.8225 -0.8225 -0.6230 -0.6230 1.4174 1.4174 5.8434 5.8434 8.3153 8.3153 8.4106 8.4106 8.4248 8.4248 9.0395 9.0395 9.0770 9.0770 9.2083 9.2083 9.8417 9.8417 10.2117 10.2117 10.8602 10.8602 10.8745 10.8745 10.9681 10.9681 11.3335 11.3335 11.5239 11.5239 12.7803 12.7803 12.9720 12.9720 13.1685 13.1685 14.3534 14.3534 k = 0.0000 0.0000 0.0000 ( 8083 PWs) bands (ev): -80.3636 -80.3636 -80.3550 -80.3550 -46.0562 -46.0562 -46.0275 -46.0275 -44.3483 -44.3483 -44.2959 -44.2959 -44.2955 -44.2955 -44.2862 -44.2862 -16.3494 -16.3494 -3.0254 -3.0254 -1.3648 -1.3648 -0.8225 -0.8225 -0.6230 -0.6230 1.4174 1.4174 5.8434 5.8434 8.3153 8.3153 8.4106 8.4106 8.4248 8.4248 9.0395 9.0395 9.0770 9.0770 9.2083 9.2083 9.8417 9.8417 10.2117 10.2117 10.8602 10.8602 10.8745 10.8745 10.9681 10.9681 11.3335 11.3335 11.5239 11.5239 12.7803 12.7803 12.9720 12.9720 13.1685 13.1685 14.3534 14.3534 k = 0.0200 0.0088-0.0000 ( 8083 PWs) bands (ev): -80.3636 -80.3636 -80.3550 -80.3550 -46.0561 -46.0561 -46.0275 -46.0275 -44.3483 -44.3483 -44.2959 -44.2959 -44.2955 -44.2955 -44.2862 -44.2862 -16.3494 -16.3494 -3.0256 -3.0256 -1.3659 -1.3659 -0.8225 -0.8225 -0.6205 -0.6205 1.4154 1.4154 5.8469 5.8469 8.3142 8.3142 8.4091 8.4091 8.4238 8.4238 9.0395 9.0395 9.0779 9.0779 9.2093 9.2093 9.8418 9.8418 10.2101 10.2101 10.8609 10.8609 10.8749 10.8749 10.9687 10.9687 11.3335 11.3335 11.5264 11.5264 12.7792 12.7792 12.9713 12.9713 13.1529 13.1529 14.3611 14.3611 k = 0.0400 0.0177-0.0000 ( 8091 PWs) bands (ev): -80.3640 -80.3640 -80.3548 -80.3548 -46.0561 -46.0561 -46.0276 -46.0276 -44.3482 -44.3482 -44.2958 -44.2958 -44.2956 -44.2956 -44.2863 -44.2863 -16.3494 -16.3494 -3.0262 -3.0262 -1.3694 -1.3694 -0.8225 -0.8225 -0.6129 -0.6129 1.4095 1.4095 5.8572 5.8572 8.3113 8.3113 8.4050 8.4050 8.4213 8.4213 9.0395 9.0395 9.0802 9.0802 9.2122 9.2122 9.8416 9.8416 10.2054 10.2054 10.8619 10.8619 10.8748 10.8748 10.9692 10.9692 11.3340 11.3340 11.5339 11.5339 12.7760 12.7760 12.9699 12.9699 13.1085 13.1085 14.3827 14.3827 k = 0.0600 0.0265-0.0000 ( 8082 PWs) bands (ev): -80.3638 -80.3638 -80.3548 -80.3548 -46.0561 -46.0561 -46.0275 -46.0275 -44.3483 -44.3483 -44.2958 -44.2958 -44.2956 -44.2956 -44.2862 -44.2862 -16.3494 -16.3494 -3.0272 -3.0272 -1.3749 -1.3749 -0.8225 -0.8225 -0.6005 -0.6005 1.3997 1.3997 5.8746 5.8746 8.3060 8.3060 8.3979 8.3979 8.4164 8.4164 9.0402 9.0402 9.0845 9.0845 9.2175 9.2175 9.8426 9.8426 10.1979 10.1979 10.8662 10.8662 10.8767 10.8767 10.9724 10.9724 11.3340 11.3340 11.5463 11.5463 12.7686 12.7686 12.9667 12.9667 13.0408 13.0408 14.4142 14.4142 k = 0.0800 0.0353-0.0000 ( 8086 PWs) bands (ev): -80.3637 -80.3637 -80.3550 -80.3550 -46.0562 -46.0562 -46.0275 -46.0275 -44.3483 -44.3483 -44.2959 -44.2959 -44.2956 -44.2956 -44.2862 -44.2862 -16.3493 -16.3493 -3.0285 -3.0285 -1.3823 -1.3823 -0.8225 -0.8225 -0.5836 -0.5836 1.3862 1.3862 5.8987 5.8987 8.2983 8.2983 8.3880 8.3880 8.4095 8.4095 9.0403 9.0403 9.0903 9.0903 9.2245 9.2245 9.8440 9.8440 10.1876 10.1876 10.8715 10.8715 10.8790 10.8790 10.9765 10.9765 11.3338 11.3338 11.5631 11.5631 12.7528 12.7528 12.9593 12.9593 12.9618 12.9618 14.4510 14.4510 k = 0.1000 0.0442-0.0000 ( 8086 PWs) bands (ev): -80.3639 -80.3639 -80.3548 -80.3548 -46.0561 -46.0561 -46.0276 -46.0276 -44.3482 -44.3482 -44.2958 -44.2958 -44.2956 -44.2956 -44.2863 -44.2863 -16.3493 -16.3493 -3.0302 -3.0302 -1.3913 -1.3913 -0.8224 -0.8224 -0.5624 -0.5624 1.3690 1.3690 5.9292 5.9292 8.2888 8.2888 8.3763 8.3763 8.4018 8.4018 9.0403 9.0403 9.0970 9.0970 9.2329 9.2329 9.8454 9.8454 10.1752 10.1752 10.8770 10.8770 10.8811 10.8811 10.9810 10.9810 11.3343 11.3343 11.5840 11.5840 12.7172 12.7172 12.8821 12.8821 12.9566 12.9566 14.4889 14.4889 k = 0.1200 0.0530-0.0000 ( 8090 PWs) bands (ev): -80.3643 -80.3643 -80.3545 -80.3545 -46.0560 -46.0560 -46.0277 -46.0277 -44.3482 -44.3482 -44.2957 -44.2957 -44.2957 -44.2957 -44.2863 -44.2863 -16.3493 -16.3493 -3.0323 -3.0323 -1.4014 -1.4014 -0.8224 -0.8224 -0.5376 -0.5376 1.3484 1.3484 5.9660 5.9660 8.2769 8.2769 8.3629 8.3629 8.3928 8.3928 9.0403 9.0403 9.1050 9.1050 9.2427 9.2427 9.8462 9.8462 10.1612 10.1612 10.8827 10.8827 10.8844 10.8844 10.9868 10.9868 11.3345 11.3345 11.6087 11.6087 12.6409 12.6409 12.8334 12.8334 12.9501 12.9501 14.5251 14.5251 k = 0.1400 0.0619-0.0000 ( 8082 PWs) bands (ev): -80.3643 -80.3643 -80.3543 -80.3543 -46.0560 -46.0560 -46.0277 -46.0277 -44.3482 -44.3482 -44.2957 -44.2957 -44.2957 -44.2957 -44.2863 -44.2863 -16.3493 -16.3493 -3.0346 -3.0346 -1.4124 -1.4124 -0.8224 -0.8224 -0.5093 -0.5093 1.3247 1.3247 6.0088 6.0088 8.2626 8.2626 8.3484 8.3484 8.3825 8.3825 9.0405 9.0405 9.1140 9.1140 9.2537 9.2537 9.8484 9.8484 10.1456 10.1456 10.8855 10.8855 10.8932 10.8932 10.9946 10.9946 11.3345 11.3345 11.6365 11.6365 12.5307 12.5307 12.8099 12.8099 12.9421 12.9421 14.5579 14.5579 k = 0.1600 0.0707-0.0000 ( 8106 PWs) bands (ev): -80.3646 -80.3646 -80.3547 -80.3547 -46.0561 -46.0561 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2958 -44.2958 -44.2864 -44.2864 -16.3493 -16.3493 -3.0372 -3.0372 -1.4239 -1.4239 -0.8223 -0.8223 -0.4781 -0.4781 1.2979 1.2979 6.0572 6.0572 8.2446 8.2446 8.3327 8.3327 8.3711 8.3711 9.0397 9.0397 9.1235 9.1235 9.2654 9.2654 9.8506 9.8506 10.1274 10.1274 10.8875 10.8875 10.9027 10.9027 11.0032 11.0032 11.3337 11.3337 11.6667 11.6667 12.4042 12.4042 12.7959 12.7959 12.9326 12.9326 14.5862 14.5862 k = 0.1800 0.0795-0.0000 ( 8098 PWs) bands (ev): -80.3646 -80.3646 -80.3544 -80.3544 -46.0560 -46.0560 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3492 -16.3492 -3.0400 -3.0400 -1.4358 -1.4358 -0.8223 -0.8223 -0.4444 -0.4444 1.2684 1.2684 6.1109 6.1109 8.2239 8.2239 8.3173 8.3173 8.3594 8.3594 9.0399 9.0399 9.1336 9.1336 9.2778 9.2778 9.8535 9.8535 10.1110 10.1110 10.8901 10.8901 10.9137 10.9137 11.0137 11.0137 11.3336 11.3336 11.6995 11.6995 12.2709 12.2709 12.7856 12.7856 12.9223 12.9223 14.6099 14.6099 k = 0.2000 0.0884-0.0000 ( 8098 PWs) bands (ev): -80.3646 -80.3646 -80.3544 -80.3544 -46.0560 -46.0560 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3492 -16.3492 -3.0430 -3.0430 -1.4476 -1.4476 -0.8223 -0.8223 -0.4085 -0.4085 1.2365 1.2365 6.1694 6.1694 8.1998 8.1998 8.3024 8.3024 8.3473 8.3473 9.0401 9.0401 9.1439 9.1439 9.2906 9.2906 9.8568 9.8568 10.0927 10.0927 10.8926 10.8926 10.9256 10.9256 11.0255 11.0255 11.3334 11.3334 11.7335 11.7335 12.1347 12.1347 12.7764 12.7764 12.9108 12.9108 14.6293 14.6293 k = 0.2200 0.0972-0.0000 ( 8094 PWs) bands (ev): -80.3649 -80.3649 -80.3540 -80.3540 -46.0559 -46.0559 -46.0279 -46.0279 -44.3482 -44.3482 -44.2958 -44.2958 -44.2955 -44.2955 -44.2865 -44.2865 -16.3492 -16.3492 -3.0461 -3.0461 -1.4593 -1.4593 -0.8222 -0.8222 -0.3707 -0.3707 1.2025 1.2025 6.2322 6.2322 8.1725 8.1725 8.2885 8.2885 8.3355 8.3355 9.0402 9.0402 9.1540 9.1540 9.3032 9.3032 9.8602 9.8602 10.0758 10.0758 10.8942 10.8942 10.9374 10.9374 11.0376 11.0376 11.3333 11.3333 11.7690 11.7690 11.9981 11.9981 12.7682 12.7682 12.8990 12.8990 14.6447 14.6447 k = 0.2400 0.1060-0.0000 ( 8094 PWs) bands (ev): -80.3649 -80.3649 -80.3540 -80.3540 -46.0559 -46.0559 -46.0279 -46.0279 -44.3482 -44.3482 -44.2958 -44.2958 -44.2955 -44.2955 -44.2865 -44.2865 -16.3492 -16.3492 -3.0492 -3.0492 -1.4707 -1.4707 -0.8222 -0.8222 -0.3315 -0.3315 1.1667 1.1667 6.2990 6.2990 8.1420 8.1420 8.2751 8.2751 8.3233 8.3233 9.0404 9.0404 9.1643 9.1643 9.3158 9.3158 9.8644 9.8644 10.0576 10.0576 10.8962 10.8962 10.9507 10.9507 11.0516 11.0516 11.3331 11.3331 11.8044 11.8044 11.8629 11.8629 12.7594 12.7594 12.8858 12.8858 14.6568 14.6568 k = 0.2600 0.1149-0.0000 ( 8086 PWs) bands (ev): -80.3647 -80.3647 -80.3540 -80.3540 -46.0559 -46.0559 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2955 -44.2955 -44.2864 -44.2864 -16.3491 -16.3491 -3.0524 -3.0524 -1.4815 -1.4815 -0.8221 -0.8221 -0.2912 -0.2912 1.1294 1.1294 6.3691 6.3691 8.1087 8.1087 8.2626 8.2626 8.3114 8.3114 9.0410 9.0410 9.1744 9.1744 9.3283 9.3283 9.8693 9.8693 10.0399 10.0399 10.8983 10.8983 10.9648 10.9648 11.0668 11.0668 11.3327 11.3327 11.7308 11.7308 11.8398 11.8398 12.7505 12.7505 12.8720 12.8720 14.6661 14.6661 k = 0.2800 0.1237-0.0000 ( 8094 PWs) bands (ev): -80.3647 -80.3647 -80.3542 -80.3542 -46.0559 -46.0559 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2956 -44.2956 -44.2864 -44.2864 -16.3491 -16.3491 -3.0556 -3.0556 -1.4918 -1.4918 -0.8221 -0.8221 -0.2502 -0.2502 1.0910 1.0910 6.4421 6.4421 8.0726 8.0726 8.2505 8.2505 8.2996 8.2996 9.0414 9.0414 9.1840 9.1840 9.3401 9.3401 9.8748 9.8748 10.0227 10.0227 10.8990 10.8990 10.9784 10.9784 11.0819 11.0819 11.3318 11.3318 11.6032 11.6032 11.8745 11.8745 12.7409 12.7409 12.8572 12.8572 14.6732 14.6732 k = 0.3000 0.1325-0.0000 ( 8098 PWs) bands (ev): -80.3648 -80.3648 -80.3542 -80.3542 -46.0559 -46.0559 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2956 -44.2956 -44.2864 -44.2864 -16.3491 -16.3491 -3.0586 -3.0586 -1.5014 -1.5014 -0.8221 -0.8221 -0.2088 -0.2088 1.0519 1.0519 6.5170 6.5170 8.0340 8.0340 8.2397 8.2397 8.2887 8.2887 9.0418 9.0418 9.1929 9.1929 9.3511 9.3511 9.8801 9.8801 10.0066 10.0066 10.9000 10.9000 10.9916 10.9916 11.0971 11.0971 11.3303 11.3303 11.4817 11.4817 11.9082 11.9082 12.7319 12.7319 12.8428 12.8428 14.6786 14.6786 k = 0.3200 0.1414-0.0000 ( 8098 PWs) bands (ev): -80.3648 -80.3648 -80.3542 -80.3542 -46.0559 -46.0559 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2956 -44.2956 -44.2865 -44.2865 -16.3491 -16.3491 -3.0616 -3.0616 -1.5102 -1.5102 -0.8220 -0.8220 -0.1674 -0.1674 1.0125 1.0125 6.5936 6.5936 7.9932 7.9932 8.2298 8.2298 8.2785 8.2785 9.0419 9.0419 9.2014 9.2014 9.3615 9.3615 9.8862 9.8862 9.9916 9.9916 10.9011 10.9011 11.0047 11.0047 11.1126 11.1126 11.3218 11.3218 11.3742 11.3742 11.9403 11.9403 12.7229 12.7229 12.8283 12.8283 14.6826 14.6826 k = 0.3400 0.1502-0.0000 ( 8106 PWs) bands (ev): -80.3648 -80.3648 -80.3544 -80.3544 -46.0560 -46.0560 -46.0278 -46.0278 -44.3483 -44.3483 -44.2958 -44.2958 -44.2956 -44.2956 -44.2865 -44.2865 -16.3490 -16.3490 -3.0644 -3.0644 -1.5182 -1.5182 -0.8220 -0.8220 -0.1266 -0.1266 0.9734 0.9734 6.6707 6.6707 7.9502 7.9502 8.2204 8.2204 8.2687 8.2687 9.0421 9.0421 9.2091 9.2091 9.3710 9.3710 9.8926 9.8926 9.9778 9.9778 10.9020 10.9020 11.0167 11.0167 11.1278 11.1278 11.2489 11.2489 11.3387 11.3387 11.9704 11.9704 12.7137 12.7137 12.8137 12.8137 14.6854 14.6854 k = 0.3600 0.1590-0.0000 ( 8094 PWs) bands (ev): -80.3646 -80.3646 -80.3543 -80.3543 -46.0560 -46.0560 -46.0278 -46.0278 -44.3483 -44.3483 -44.2957 -44.2957 -44.2956 -44.2956 -44.2864 -44.2864 -16.3490 -16.3490 -3.0669 -3.0669 -1.5253 -1.5253 -0.8219 -0.8219 -0.0870 -0.0870 0.9351 0.9351 6.7477 6.7477 7.9056 7.9056 8.2125 8.2125 8.2604 8.2604 9.0431 9.0431 9.2161 9.2161 9.3796 9.3796 9.8996 9.8996 9.9655 9.9655 10.9033 10.9033 11.0262 11.0262 11.1424 11.1424 11.1551 11.1551 11.3357 11.3357 11.9981 11.9981 12.7056 12.7056 12.8005 12.8005 14.6876 14.6876 k = 0.3800 0.1679-0.0000 ( 8114 PWs) bands (ev): -80.3647 -80.3647 -80.3548 -80.3548 -46.0561 -46.0561 -46.0278 -46.0278 -44.3484 -44.3484 -44.2957 -44.2957 -44.2957 -44.2957 -44.2865 -44.2865 -16.3490 -16.3490 -3.0692 -3.0692 -1.5316 -1.5316 -0.8219 -0.8219 -0.0492 -0.0492 0.8985 0.8985 6.8232 6.8232 7.8595 7.8595 8.2048 8.2048 8.2521 8.2521 9.0432 9.0432 9.2222 9.2222 9.3871 9.3871 9.9064 9.9064 9.9545 9.9545 10.9039 10.9039 11.0216 11.0216 11.0809 11.0809 11.1557 11.1557 11.3342 11.3342 12.0230 12.0230 12.6968 12.6968 12.7869 12.7869 14.6888 14.6888 k = 0.4000 0.1767-0.0000 ( 8118 PWs) bands (ev): -80.3647 -80.3647 -80.3549 -80.3549 -46.0561 -46.0561 -46.0278 -46.0278 -44.3484 -44.3484 -44.2957 -44.2957 -44.2957 -44.2957 -44.2865 -44.2865 -16.3490 -16.3490 -3.0712 -3.0712 -1.5369 -1.5369 -0.8219 -0.8219 -0.0140 -0.0140 0.8642 0.8642 6.8961 6.8961 7.8130 7.8130 8.1986 8.1986 8.2455 8.2455 9.0433 9.0433 9.2275 9.2275 9.3936 9.3936 9.9134 9.9134 9.9451 9.9451 10.9044 10.9044 10.9695 10.9695 11.0642 11.0642 11.1678 11.1678 11.3337 11.3337 12.0447 12.0447 12.6896 12.6896 12.7754 12.7754 14.6896 14.6896 k = 0.4200 0.1856-0.0000 ( 8110 PWs) bands (ev): -80.3647 -80.3647 -80.3546 -80.3546 -46.0560 -46.0560 -46.0278 -46.0278 -44.3483 -44.3483 -44.2957 -44.2957 -44.2957 -44.2957 -44.2865 -44.2865 -16.3490 -16.3490 -3.0729 -3.0729 -1.5412 -1.5412 -0.8219 -0.8219 0.0174 0.0174 0.8335 0.8335 6.9643 6.9643 7.7675 7.7675 8.1938 8.1938 8.2404 8.2404 9.0434 9.0434 9.2319 9.2319 9.3989 9.3989 9.9202 9.9202 9.9375 9.9375 10.9048 10.9048 10.9069 10.9069 11.0685 11.0685 11.1783 11.1783 11.3345 11.3345 12.0629 12.0629 12.6840 12.6840 12.7660 12.7660 14.6904 14.6904 k = 0.4400 0.1944-0.0000 ( 8102 PWs) bands (ev): -80.3645 -80.3645 -80.3546 -80.3546 -46.0560 -46.0560 -46.0277 -46.0277 -44.3483 -44.3483 -44.2957 -44.2957 -44.2957 -44.2957 -44.2864 -44.2864 -16.3489 -16.3489 -3.0742 -3.0742 -1.5447 -1.5447 -0.8218 -0.8218 0.0440 0.0440 0.8076 0.8076 7.0252 7.0252 7.7252 7.7252 8.1899 8.1899 8.2361 8.2361 9.0435 9.0435 9.2355 9.2355 9.4032 9.4032 9.9264 9.9264 9.9314 9.9314 10.8552 10.8552 10.9051 10.9051 11.0745 11.0745 11.1871 11.1871 11.3344 11.3344 12.0774 12.0774 12.6791 12.6791 12.7582 12.7582 14.6909 14.6909 k = 0.4600 0.2032-0.0000 ( 8114 PWs) bands (ev): -80.3645 -80.3645 -80.3549 -80.3549 -46.0561 -46.0561 -46.0277 -46.0277 -44.3483 -44.3483 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3489 -16.3489 -3.0752 -3.0752 -1.5471 -1.5471 -0.8218 -0.8218 0.0643 0.0643 0.7877 0.7877 7.0749 7.0749 7.6889 7.6889 8.1867 8.1867 8.2327 8.2327 9.0435 9.0435 9.2380 9.2380 9.4062 9.4062 9.9262 9.9262 9.9312 9.9312 10.8165 10.8165 10.9053 10.9053 11.0790 11.0790 11.1933 11.1933 11.3342 11.3342 12.0873 12.0873 12.6750 12.6750 12.7518 12.7518 14.6912 14.6912 k = 0.4800 0.2121-0.0000 ( 8110 PWs) bands (ev): -80.3645 -80.3645 -80.3548 -80.3548 -46.0561 -46.0561 -46.0277 -46.0277 -44.3483 -44.3483 -44.2958 -44.2958 -44.2958 -44.2958 -44.2864 -44.2864 -16.3489 -16.3489 -3.0758 -3.0758 -1.5486 -1.5486 -0.8218 -0.8218 0.0771 0.0771 0.7751 0.7751 7.1083 7.1083 7.6640 7.6640 8.1849 8.1849 8.2307 8.2307 9.0433 9.0433 9.2393 9.2393 9.4079 9.4079 9.9238 9.9238 9.9343 9.9343 10.7933 10.7933 10.9054 10.9054 11.0816 11.0816 11.1969 11.1969 11.3362 11.3362 12.0937 12.0937 12.6726 12.6726 12.7480 12.7480 14.6914 14.6914 k = 0.5000 0.2209-0.0000 ( 8102 PWs) bands (ev): -80.3645 -80.3645 -80.3546 -80.3546 -46.0560 -46.0560 -46.0277 -46.0277 -44.3483 -44.3483 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3489 -16.3489 -3.0760 -3.0760 -1.5491 -1.5491 -0.8218 -0.8218 0.0815 0.0815 0.7708 0.7708 7.1202 7.1202 7.6549 7.6549 8.1846 8.1846 8.2305 8.2305 9.0433 9.0433 9.2398 9.2398 9.4085 9.4085 9.9232 9.9232 9.9354 9.9354 10.7853 10.7853 10.9054 10.9054 11.0825 11.0825 11.1981 11.1981 11.3362 11.3362 12.0960 12.0960 12.6723 12.6723 12.7473 12.7473 14.6915 14.6915 k = 0.5000 0.2209-0.0000 ( 8102 PWs) bands (ev): -80.3645 -80.3645 -80.3546 -80.3546 -46.0560 -46.0560 -46.0277 -46.0277 -44.3483 -44.3483 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3489 -16.3489 -3.0760 -3.0760 -1.5491 -1.5491 -0.8218 -0.8218 0.0815 0.0815 0.7708 0.7708 7.1202 7.1202 7.6549 7.6549 8.1846 8.1846 8.2305 8.2305 9.0433 9.0433 9.2398 9.2398 9.4085 9.4085 9.9232 9.9232 9.9354 9.9354 10.7853 10.7853 10.9054 10.9054 11.0825 11.0825 11.1981 11.1981 11.3362 11.3362 12.0960 12.0960 12.6723 12.6723 12.7473 12.7473 14.6915 14.6915 k = 0.4937 0.2351 0.0155 ( 8114 PWs) bands (ev): -80.3645 -80.3645 -80.3550 -80.3550 -46.0561 -46.0561 -46.0278 -46.0278 -44.3483 -44.3483 -44.2958 -44.2958 -44.2958 -44.2958 -44.2864 -44.2864 -16.3488 -16.3488 -3.0761 -3.0761 -1.5493 -1.5493 -0.8246 -0.8246 0.0850 0.0850 0.7706 0.7706 7.1208 7.1208 7.6535 7.6535 8.1853 8.1853 8.2311 8.2311 9.0439 9.0439 9.2364 9.2364 9.4047 9.4047 9.9257 9.9257 9.9357 9.9357 10.7848 10.7848 10.9047 10.9047 11.0805 11.0805 11.1931 11.1931 11.3389 11.3389 12.0993 12.0993 12.6708 12.6708 12.7458 12.7458 14.6956 14.6956 k = 0.4875 0.2493 0.0310 ( 8112 PWs) bands (ev): -80.3645 -80.3645 -80.3549 -80.3549 -46.0561 -46.0561 -46.0278 -46.0278 -44.3482 -44.3482 -44.2958 -44.2958 -44.2958 -44.2958 -44.2864 -44.2864 -16.3485 -16.3485 -3.0764 -3.0764 -1.5500 -1.5500 -0.8326 -0.8326 0.0955 0.0955 0.7700 0.7700 7.1226 7.1226 7.6494 7.6494 8.1879 8.1879 8.2334 8.2334 9.0456 9.0456 9.2259 9.2259 9.3938 9.3938 9.9299 9.9299 9.9416 9.9416 10.7834 10.7834 10.9026 10.9026 11.0744 11.0744 11.1798 11.1798 11.3521 11.3521 12.1098 12.1098 12.6667 12.6667 12.7425 12.7425 14.7077 14.7077 k = 0.4812 0.2634 0.0465 ( 8110 PWs) bands (ev): -80.3645 -80.3645 -80.3549 -80.3549 -46.0560 -46.0560 -46.0278 -46.0278 -44.3481 -44.3481 -44.2960 -44.2960 -44.2957 -44.2957 -44.2864 -44.2864 -16.3479 -16.3479 -3.0769 -3.0769 -1.5511 -1.5511 -0.8454 -0.8454 0.1124 0.1124 0.7690 0.7690 7.1256 7.1256 7.6428 7.6428 8.1920 8.1920 8.2374 8.2374 9.0481 9.0481 9.2078 9.2078 9.3777 9.3777 9.9286 9.9286 9.9584 9.9584 10.7809 10.7809 10.8989 10.8989 11.0651 11.0651 11.1617 11.1617 11.3701 11.3701 12.1271 12.1271 12.6585 12.6585 12.7387 12.7387 14.7273 14.7273 k = 0.4749 0.2776 0.0620 ( 8104 PWs) bands (ev): -80.3643 -80.3643 -80.3548 -80.3548 -46.0559 -46.0559 -46.0279 -46.0279 -44.3480 -44.3480 -44.2961 -44.2961 -44.2957 -44.2957 -44.2864 -44.2864 -16.3471 -16.3471 -3.0777 -3.0777 -1.5529 -1.5529 -0.8622 -0.8622 0.1349 0.1349 0.7677 0.7677 7.1297 7.1297 7.6339 7.6339 8.1974 8.1974 8.2430 8.2430 9.0521 9.0521 9.1815 9.1815 9.3585 9.3585 9.9256 9.9256 9.9810 9.9810 10.7776 10.7776 10.8941 10.8941 11.0527 11.0527 11.1411 11.1411 11.3899 11.3899 12.1506 12.1506 12.6454 12.6454 12.7359 12.7359 14.7537 14.7537 k = 0.4687 0.2918 0.0775 ( 8114 PWs) bands (ev): -80.3645 -80.3645 -80.3549 -80.3549 -46.0558 -46.0558 -46.0280 -46.0280 -44.3478 -44.3478 -44.2963 -44.2963 -44.2957 -44.2957 -44.2865 -44.2865 -16.3461 -16.3461 -3.0788 -3.0788 -1.5552 -1.5552 -0.8819 -0.8819 0.1623 0.1623 0.7660 0.7660 7.1346 7.1346 7.6226 7.6226 8.2038 8.2038 8.2503 8.2503 9.0565 9.0565 9.1468 9.1468 9.3377 9.3377 9.9211 9.9211 10.0072 10.0072 10.7726 10.7726 10.8875 10.8875 11.0373 11.0373 11.1192 11.1192 11.4104 11.4104 12.1800 12.1800 12.6269 12.6269 12.7350 12.7350 14.7846 14.7846 k = 0.4624 0.3060 0.0930 ( 8106 PWs) bands (ev): -80.3643 -80.3643 -80.3548 -80.3548 -46.0557 -46.0557 -46.0281 -46.0281 -44.3476 -44.3476 -44.2965 -44.2965 -44.2956 -44.2956 -44.2865 -44.2865 -16.3449 -16.3449 -3.0802 -3.0802 -1.5583 -1.5583 -0.9036 -0.9036 0.1936 0.1936 0.7640 0.7640 7.1403 7.1403 7.6097 7.6097 8.2112 8.2112 8.2596 8.2596 9.0619 9.0619 9.1049 9.1049 9.3165 9.3165 9.9156 9.9156 10.0361 10.0361 10.7675 10.7675 10.8806 10.8806 11.0198 11.0198 11.0985 11.0985 11.4308 11.4308 12.2149 12.2149 12.6047 12.6047 12.7364 12.7364 14.8190 14.8190 k = 0.4561 0.3202 0.1086 ( 8104 PWs) bands (ev): -80.3642 -80.3642 -80.3549 -80.3549 -46.0555 -46.0555 -46.0283 -46.0283 -44.3474 -44.3474 -44.2968 -44.2968 -44.2955 -44.2955 -44.2865 -44.2865 -16.3434 -16.3434 -3.0820 -3.0820 -1.5622 -1.5622 -0.9264 -0.9264 0.2280 0.2280 0.7617 0.7617 7.1464 7.1464 7.5953 7.5953 8.2194 8.2194 8.2704 8.2704 9.0503 9.0503 9.0738 9.0738 9.2950 9.2950 9.9089 9.9089 10.0657 10.0657 10.7610 10.7610 10.8723 10.8723 11.0003 11.0003 11.0799 11.0799 11.4512 11.4512 12.2542 12.2542 12.5788 12.5788 12.7400 12.7400 14.8537 14.8537 k = 0.4499 0.3344 0.1241 ( 8104 PWs) bands (ev): -80.3642 -80.3642 -80.3549 -80.3549 -46.0554 -46.0554 -46.0284 -46.0284 -44.3471 -44.3471 -44.2970 -44.2970 -44.2954 -44.2954 -44.2866 -44.2866 -16.3418 -16.3418 -3.0842 -3.0842 -1.5670 -1.5670 -0.9492 -0.9492 0.2646 0.2646 0.7593 0.7593 7.1526 7.1526 7.5796 7.5796 8.2282 8.2282 8.2823 8.2823 8.9974 8.9974 9.0801 9.0801 9.2731 9.2731 9.9014 9.9014 10.0962 10.0962 10.7534 10.7534 10.8619 10.8619 10.9789 10.9789 11.0640 11.0640 11.4709 11.4709 12.2979 12.2979 12.5502 12.5502 12.7452 12.7452 14.8858 14.8858 k = 0.4436 0.3486 0.1396 ( 8104 PWs) bands (ev): -80.3642 -80.3642 -80.3549 -80.3549 -46.0552 -46.0552 -46.0286 -46.0286 -44.3468 -44.3468 -44.2974 -44.2974 -44.2953 -44.2953 -44.2867 -44.2867 -16.3400 -16.3400 -3.0870 -3.0870 -1.5729 -1.5729 -0.9714 -0.9714 0.3027 0.3027 0.7568 0.7568 7.1588 7.1588 7.5628 7.5628 8.2376 8.2376 8.2953 8.2953 8.9380 8.9380 9.0891 9.0891 9.2507 9.2507 9.8933 9.8933 10.1267 10.1267 10.7443 10.7443 10.8502 10.8502 10.9561 10.9561 11.0519 11.0519 11.4895 11.4895 12.3452 12.3452 12.5206 12.5206 12.7516 12.7516 14.9111 14.9111 k = 0.4373 0.3627 0.1551 ( 8114 PWs) bands (ev): -80.3644 -80.3644 -80.3550 -80.3550 -46.0550 -46.0550 -46.0289 -46.0289 -44.3464 -44.3464 -44.2978 -44.2978 -44.2953 -44.2953 -44.2868 -44.2868 -16.3380 -16.3380 -3.0904 -3.0904 -1.5798 -1.5798 -0.9922 -0.9922 0.3416 0.3416 0.7545 0.7545 7.1646 7.1646 7.5455 7.5455 8.2476 8.2476 8.3092 8.3092 8.8751 8.8751 9.0990 9.0990 9.2276 9.2276 9.8845 9.8845 10.1561 10.1561 10.7343 10.7343 10.8363 10.8363 10.9321 10.9321 11.0432 11.0432 11.5067 11.5067 12.3951 12.3951 12.4907 12.4907 12.7589 12.7589 14.9230 14.9230 k = 0.4311 0.3769 0.1706 ( 8106 PWs) bands (ev): -80.3643 -80.3643 -80.3549 -80.3549 -46.0547 -46.0547 -46.0291 -46.0291 -44.3459 -44.3459 -44.2983 -44.2983 -44.2952 -44.2952 -44.2869 -44.2869 -16.3358 -16.3358 -3.0945 -3.0945 -1.5879 -1.5879 -1.0111 -1.0111 0.3805 0.3805 0.7525 0.7525 7.1696 7.1696 7.5279 7.5279 8.2582 8.2582 8.3241 8.3241 8.8103 8.8103 9.1100 9.1100 9.2044 9.2044 9.8757 9.8757 10.1846 10.1846 10.7231 10.7231 10.8215 10.8215 10.9079 10.9079 11.0396 11.0396 11.5227 11.5227 12.4445 12.4445 12.4647 12.4647 12.7672 12.7672 14.9150 14.9150 k = 0.4248 0.3911 0.1861 ( 8092 PWs) bands (ev): -80.3642 -80.3642 -80.3546 -80.3546 -46.0543 -46.0543 -46.0294 -46.0294 -44.3454 -44.3454 -44.2987 -44.2987 -44.2951 -44.2951 -44.2870 -44.2870 -16.3335 -16.3335 -3.0993 -3.0993 -1.5971 -1.5971 -1.0276 -1.0276 0.4187 0.4187 0.7513 0.7513 7.1733 7.1733 7.5100 7.5100 8.2696 8.2696 8.3393 8.3393 8.7447 8.7447 9.1204 9.1204 9.1818 9.1818 9.8667 9.8667 10.2117 10.2117 10.7109 10.7109 10.8063 10.8063 10.8830 10.8830 11.0403 11.0403 11.5369 11.5369 12.4322 12.4322 12.5025 12.5025 12.7767 12.7767 14.8823 14.8823 k = 0.4185 0.4053 0.2016 ( 8098 PWs) bands (ev): -80.3641 -80.3641 -80.3548 -80.3548 -46.0541 -46.0541 -46.0296 -46.0296 -44.3450 -44.3450 -44.2992 -44.2992 -44.2950 -44.2950 -44.2871 -44.2871 -16.3311 -16.3311 -3.1049 -3.1049 -1.6072 -1.6072 -1.0414 -1.0414 0.4552 0.4552 0.7514 0.7514 7.1746 7.1746 7.4923 7.4923 8.2814 8.2814 8.3546 8.3546 8.6794 8.6794 9.1246 9.1246 9.1654 9.1654 9.8571 9.8571 10.2364 10.2364 10.6972 10.6972 10.7891 10.7891 10.8577 10.8577 11.0450 11.0450 11.5482 11.5482 12.4062 12.4062 12.5552 12.5552 12.7864 12.7864 14.8270 14.8270 k = 0.4123 0.4195 0.2171 ( 8090 PWs) bands (ev): -80.3638 -80.3638 -80.3549 -80.3549 -46.0538 -46.0538 -46.0299 -46.0299 -44.3444 -44.3444 -44.2997 -44.2997 -44.2949 -44.2949 -44.2871 -44.2871 -16.3285 -16.3285 -3.1114 -3.1114 -1.6183 -1.6183 -1.0524 -1.0524 0.4890 0.4890 0.7536 0.7536 7.1734 7.1734 7.4748 7.4748 8.2939 8.2939 8.3699 8.3699 8.6159 8.6159 9.1115 9.1115 9.1667 9.1667 9.8482 9.8482 10.2589 10.2589 10.6823 10.6823 10.7717 10.7717 10.8325 10.8325 11.0553 11.0553 11.5577 11.5577 12.3823 12.3823 12.6061 12.6061 12.7966 12.7966 14.7588 14.7588 k = 0.4060 0.4337 0.2326 ( 8090 PWs) bands (ev): -80.3637 -80.3637 -80.3550 -80.3550 -46.0535 -46.0535 -46.0302 -46.0302 -44.3439 -44.3439 -44.3003 -44.3003 -44.2948 -44.2948 -44.2872 -44.2872 -16.3258 -16.3258 -3.1188 -3.1188 -1.6300 -1.6300 -1.0605 -1.0605 0.5188 0.5188 0.7590 0.7590 7.1690 7.1690 7.4580 7.4580 8.3069 8.3069 8.3842 8.3842 8.5560 8.5560 9.0875 9.0875 9.1790 9.1790 9.8395 9.8395 10.2787 10.2787 10.6660 10.6660 10.7519 10.7519 10.8072 10.8072 11.0694 11.0694 11.5649 11.5649 12.3607 12.3607 12.6529 12.6529 12.8073 12.8073 14.6879 14.6879 k = 0.3997 0.4479 0.2481 ( 8090 PWs) bands (ev): -80.3637 -80.3637 -80.3550 -80.3550 -46.0532 -46.0532 -46.0305 -46.0305 -44.3433 -44.3433 -44.3010 -44.3010 -44.2947 -44.2947 -44.2874 -44.2874 -16.3230 -16.3230 -3.1272 -3.1272 -1.6421 -1.6421 -1.0657 -1.0657 0.5431 0.5431 0.7688 0.7688 7.1608 7.1608 7.4418 7.4418 8.3206 8.3206 8.3952 8.3952 8.5029 8.5029 9.0602 9.0602 9.1947 9.1947 9.8312 9.8312 10.2958 10.2958 10.6487 10.6487 10.7314 10.7314 10.7816 10.7816 11.0872 11.0872 11.5695 11.5695 12.3421 12.3421 12.6930 12.6930 12.8184 12.8184 14.6230 14.6230 k = 0.3935 0.4620 0.2636 ( 8092 PWs) bands (ev): -80.3636 -80.3636 -80.3551 -80.3551 -46.0529 -46.0529 -46.0309 -46.0309 -44.3427 -44.3427 -44.3016 -44.3016 -44.2946 -44.2946 -44.2875 -44.2875 -16.3202 -16.3202 -3.1365 -3.1365 -1.6544 -1.6544 -1.0681 -1.0681 0.5609 0.5609 0.7839 0.7839 7.1480 7.1480 7.4265 7.4265 8.3349 8.3349 8.3935 8.3935 8.4668 8.4668 9.0316 9.0316 9.2128 9.2128 9.8234 9.8234 10.3096 10.3096 10.6301 10.6301 10.7101 10.7101 10.7561 10.7561 11.1088 11.1088 11.5719 11.5719 12.3262 12.3262 12.7236 12.7236 12.8297 12.8297 14.5708 14.5708 k = 0.3872 0.4762 0.2791 ( 8090 PWs) bands (ev): -80.3636 -80.3636 -80.3551 -80.3551 -46.0525 -46.0525 -46.0313 -46.0313 -44.3420 -44.3420 -44.3023 -44.3023 -44.2945 -44.2945 -44.2876 -44.2876 -16.3173 -16.3173 -3.1468 -3.1468 -1.6665 -1.6665 -1.0680 -1.0680 0.5720 0.5720 0.8042 0.8042 7.1303 7.1303 7.4122 7.4122 8.3499 8.3499 8.3669 8.3669 8.4609 8.4609 9.0023 9.0023 9.2324 9.2324 9.8162 9.8162 10.3205 10.3205 10.6106 10.6106 10.6877 10.6877 10.7305 10.7305 11.1337 11.1337 11.5725 11.5725 12.3133 12.3133 12.7422 12.7422 12.8414 12.8414 14.5366 14.5366 k = 0.3809 0.4904 0.2946 ( 8086 PWs) bands (ev): -80.3631 -80.3631 -80.3554 -80.3554 -46.0522 -46.0522 -46.0315 -46.0315 -44.3414 -44.3414 -44.3029 -44.3029 -44.2944 -44.2944 -44.2877 -44.2877 -16.3143 -16.3143 -3.1579 -3.1579 -1.6782 -1.6782 -1.0656 -1.0656 0.5772 0.5772 0.8289 0.8289 7.1074 7.1074 7.3993 7.3993 8.3301 8.3301 8.3653 8.3653 8.4707 8.4707 8.9726 8.9726 9.2536 9.2536 9.8102 9.8102 10.3279 10.3279 10.5901 10.5901 10.6654 10.6654 10.7053 10.7053 11.1623 11.1623 11.5704 11.5704 12.3034 12.3034 12.7469 12.7469 12.8525 12.8525 14.5238 14.5238 k = 0.3747 0.5046 0.3102 ( 8094 PWs) bands (ev): -80.3632 -80.3632 -80.3555 -80.3555 -46.0518 -46.0518 -46.0320 -46.0320 -44.3407 -44.3407 -44.3037 -44.3037 -44.2943 -44.2943 -44.2879 -44.2879 -16.3114 -16.3114 -3.1699 -3.1699 -1.6894 -1.6894 -1.0609 -1.0609 0.5777 0.5777 0.8565 0.8565 7.0793 7.0793 7.3876 7.3876 8.2952 8.2952 8.3811 8.3811 8.4844 8.4844 8.9423 8.9423 9.2756 9.2756 9.8049 9.8049 10.3327 10.3327 10.5682 10.5682 10.6414 10.6414 10.6792 10.6792 11.1925 11.1925 11.5666 11.5666 12.2962 12.2962 12.7373 12.7373 12.8633 12.8633 14.5341 14.5341 k = 0.3684 0.5188 0.3257 ( 8088 PWs) bands (ev): -80.3629 -80.3629 -80.3557 -80.3557 -46.0514 -46.0514 -46.0323 -46.0323 -44.3400 -44.3400 -44.3044 -44.3044 -44.2942 -44.2942 -44.2880 -44.2880 -16.3084 -16.3084 -3.1827 -3.1827 -1.6997 -1.6997 -1.0544 -1.0544 0.5749 0.5749 0.8856 0.8856 7.0462 7.0462 7.3776 7.3776 8.2650 8.2650 8.3975 8.3975 8.4996 8.4996 8.9123 8.9123 9.2989 9.2989 9.8012 9.8012 10.3341 10.3341 10.5461 10.5461 10.6175 10.6175 10.6532 10.6532 11.2251 11.2251 11.5615 11.5615 12.2923 12.2923 12.7145 12.7145 12.8733 12.8733 14.5673 14.5673 k = 0.3621 0.5330 0.3412 ( 8094 PWs) bands (ev): -80.3629 -80.3629 -80.3558 -80.3558 -46.0510 -46.0510 -46.0328 -46.0328 -44.3392 -44.3392 -44.3052 -44.3052 -44.2940 -44.2940 -44.2882 -44.2882 -16.3054 -16.3054 -3.1961 -3.1961 -1.7092 -1.7092 -1.0461 -1.0461 0.5697 0.5697 0.9152 0.9152 7.0087 7.0087 7.3690 7.3690 8.2399 8.2399 8.4144 8.4144 8.5150 8.5150 8.8821 8.8821 9.3227 9.3227 9.7976 9.7976 10.3330 10.3330 10.5226 10.5226 10.5940 10.5940 10.6273 10.6273 11.2567 11.2567 11.5546 11.5546 12.2907 12.2907 12.6811 12.6811 12.8826 12.8826 14.6215 14.6215 k = 0.3559 0.5471 0.3567 ( 8098 PWs) bands (ev): -80.3629 -80.3629 -80.3560 -80.3560 -46.0505 -46.0505 -46.0333 -46.0333 -44.3384 -44.3384 -44.3061 -44.3061 -44.2939 -44.2939 -44.2884 -44.2884 -16.3025 -16.3025 -3.2100 -3.2100 -1.7176 -1.7176 -1.0363 -1.0363 0.5629 0.5629 0.9445 0.9445 6.9677 6.9677 7.3622 7.3622 8.2198 8.2198 8.4315 8.4315 8.5301 8.5301 8.8521 8.8521 9.3477 9.3477 9.7955 9.7955 10.3294 10.3294 10.4981 10.4981 10.5703 10.5703 10.6009 10.6009 11.2882 11.2882 11.5465 11.5465 12.2917 12.2917 12.6404 12.6404 12.8906 12.8906 14.6931 14.6931 k = 0.3496 0.5613 0.3722 ( 8094 PWs) bands (ev): -80.3626 -80.3626 -80.3561 -80.3561 -46.0501 -46.0501 -46.0337 -46.0337 -44.3376 -44.3376 -44.3069 -44.3069 -44.2937 -44.2937 -44.2885 -44.2885 -16.2996 -16.2996 -3.2243 -3.2243 -1.7251 -1.7251 -1.0252 -1.0252 0.5550 0.5550 0.9728 0.9728 6.9239 6.9239 7.3572 7.3572 8.2040 8.2040 8.4491 8.4491 8.5453 8.5453 8.8225 8.8225 9.3741 9.3741 9.7951 9.7951 10.3230 10.3230 10.4728 10.4728 10.5472 10.5472 10.5747 10.5747 11.3181 11.3181 11.5374 11.5374 12.2954 12.2954 12.5963 12.5963 12.8972 12.8972 14.7406 14.7406 k = 0.3433 0.5755 0.3877 ( 8092 PWs) bands (ev): -80.3625 -80.3625 -80.3562 -80.3562 -46.0496 -46.0496 -46.0342 -46.0342 -44.3367 -44.3367 -44.3078 -44.3078 -44.2936 -44.2936 -44.2886 -44.2886 -16.2968 -16.2968 -3.2389 -3.2389 -1.7315 -1.7315 -1.0131 -1.0131 0.5465 0.5465 0.9996 0.9996 6.8784 6.8784 7.3541 7.3541 8.1915 8.1915 8.4670 8.4670 8.5600 8.5600 8.7933 8.7933 9.4011 9.4011 9.7957 9.7957 10.3147 10.3147 10.4467 10.4467 10.5248 10.5248 10.5484 10.5484 11.3442 11.3442 11.5276 11.5276 12.3011 12.3011 12.5529 12.5529 12.9021 12.9021 14.6917 14.6917 k = 0.3371 0.5897 0.4032 ( 8084 PWs) bands (ev): -80.3622 -80.3622 -80.3562 -80.3562 -46.0491 -46.0491 -46.0346 -46.0346 -44.3358 -44.3358 -44.3086 -44.3086 -44.2934 -44.2934 -44.2888 -44.2888 -16.2941 -16.2941 -3.2536 -3.2536 -1.7370 -1.7370 -1.0001 -1.0001 0.5377 0.5377 1.0247 1.0247 6.8321 6.8321 7.3529 7.3529 8.1817 8.1817 8.4853 8.4853 8.5742 8.5742 8.7649 8.7649 9.4292 9.4292 9.7977 9.7977 10.3039 10.3039 10.4202 10.4202 10.5033 10.5033 10.5226 10.5226 11.3650 11.3650 11.5178 11.5178 12.3088 12.3088 12.5141 12.5141 12.9050 12.9050 14.6423 14.6423 k = 0.3308 0.6039 0.4187 ( 8084 PWs) bands (ev): -80.3618 -80.3618 -80.3566 -80.3566 -46.0487 -46.0487 -46.0350 -46.0350 -44.3350 -44.3350 -44.3095 -44.3095 -44.2933 -44.2933 -44.2889 -44.2889 -16.2915 -16.2915 -3.2681 -3.2681 -1.7415 -1.7415 -0.9864 -0.9864 0.5288 0.5288 1.0476 1.0476 6.7860 6.7860 7.3535 7.3535 8.1733 8.1733 8.5037 8.5037 8.5878 8.5878 8.7371 8.7371 9.4584 9.4584 9.8005 9.8005 10.2907 10.2907 10.3930 10.3930 10.4821 10.4821 10.4976 10.4976 11.3783 11.3783 11.5076 11.5076 12.3182 12.3182 12.4832 12.4832 12.9052 12.9052 14.5974 14.5974 k = 0.3245 0.6181 0.4342 ( 8088 PWs) bands (ev): -80.3616 -80.3616 -80.3570 -80.3570 -46.0483 -46.0483 -46.0355 -46.0355 -44.3342 -44.3342 -44.3104 -44.3104 -44.2932 -44.2932 -44.2891 -44.2891 -16.2891 -16.2891 -3.2824 -3.2824 -1.7451 -1.7451 -0.9723 -0.9723 0.5202 0.5202 1.0681 1.0681 6.7409 6.7409 7.3562 7.3562 8.1658 8.1658 8.5224 8.5224 8.6003 8.6003 8.7104 8.7104 9.4879 9.4879 9.8044 9.8044 10.2748 10.2748 10.3655 10.3655 10.4608 10.4608 10.4743 10.4743 11.3830 11.3830 11.4972 11.4972 12.3290 12.3290 12.4634 12.4634 12.9028 12.9028 14.5573 14.5573 k = 0.3183 0.6323 0.4497 ( 8097 PWs) bands (ev): -80.3615 -80.3615 -80.3573 -80.3573 -46.0478 -46.0478 -46.0360 -46.0360 -44.3333 -44.3333 -44.3113 -44.3113 -44.2931 -44.2931 -44.2893 -44.2893 -16.2867 -16.2867 -3.2963 -3.2963 -1.7481 -1.7481 -0.9580 -0.9580 0.5121 0.5121 1.0860 1.0860 6.6978 6.6978 7.3608 7.3608 8.1584 8.1584 8.5413 8.5413 8.6114 8.6114 8.6853 8.6853 9.5181 9.5181 9.8093 9.8093 10.2563 10.2563 10.3391 10.3391 10.4383 10.4383 10.4523 10.4523 11.3784 11.3784 11.4871 11.4871 12.3407 12.3407 12.4564 12.4564 12.8972 12.8972 14.5225 14.5225 k = 0.3120 0.6464 0.4652 ( 8091 PWs) bands (ev): -80.3612 -80.3612 -80.3574 -80.3574 -46.0473 -46.0473 -46.0365 -46.0365 -44.3323 -44.3323 -44.3123 -44.3123 -44.2929 -44.2929 -44.2894 -44.2894 -16.2845 -16.2845 -3.3095 -3.3095 -1.7503 -1.7503 -0.9436 -0.9436 0.5049 0.5049 1.1011 1.1011 6.6571 6.6571 7.3675 7.3675 8.1504 8.1504 8.5606 8.5606 8.6194 8.6194 8.6637 8.6637 9.5491 9.5491 9.8156 9.8156 10.2353 10.2353 10.3141 10.3141 10.4154 10.4154 10.4336 10.4336 11.3652 11.3652 11.4773 11.4773 12.3539 12.3539 12.4632 12.4632 12.8887 12.8887 14.4931 14.4931 k = 0.3057 0.6606 0.4807 ( 8103 PWs) bands (ev): -80.3612 -80.3612 -80.3577 -80.3577 -46.0468 -46.0468 -46.0371 -46.0371 -44.3314 -44.3314 -44.3133 -44.3133 -44.2927 -44.2927 -44.2896 -44.2896 -16.2825 -16.2825 -3.3221 -3.3221 -1.7520 -1.7520 -0.9295 -0.9295 0.4986 0.4986 1.1132 1.1132 6.6196 6.6196 7.3761 7.3761 8.1410 8.1410 8.5796 8.5796 8.6165 8.6165 8.6531 8.6531 9.5800 9.5800 9.8227 9.8227 10.2108 10.2108 10.2908 10.2908 10.3917 10.3917 10.4161 10.4161 11.3438 11.3438 11.4675 11.4675 12.3678 12.3678 12.4833 12.4833 12.8761 12.8761 14.4691 14.4691 k = 0.2995 0.6748 0.4962 ( 8099 PWs) bands (ev): -80.3608 -80.3608 -80.3580 -80.3580 -46.0463 -46.0463 -46.0376 -46.0376 -44.3304 -44.3304 -44.3142 -44.3142 -44.2926 -44.2926 -44.2898 -44.2898 -16.2806 -16.2806 -3.3337 -3.3337 -1.7532 -1.7532 -0.9158 -0.9158 0.4936 0.4936 1.1222 1.1222 6.5859 6.5859 7.3866 7.3866 8.1296 8.1296 8.5959 8.5959 8.6031 8.6031 8.6565 8.6565 9.6122 9.6122 9.8310 9.8310 10.1839 10.1839 10.2703 10.2703 10.3689 10.3689 10.4010 10.4010 11.3158 11.3158 11.4593 11.4593 12.3824 12.3824 12.5155 12.5155 12.8597 12.8597 14.4507 14.4507 k = 0.2932 0.6890 0.5118 ( 8111 PWs) bands (ev): -80.3610 -80.3610 -80.3582 -80.3582 -46.0458 -46.0458 -46.0382 -46.0382 -44.3295 -44.3295 -44.3153 -44.3153 -44.2924 -44.2924 -44.2900 -44.2900 -16.2790 -16.2790 -3.3443 -3.3443 -1.7540 -1.7540 -0.9028 -0.9028 0.4901 0.4901 1.1280 1.1280 6.5562 6.5562 7.3991 7.3991 8.1157 8.1157 8.5787 8.5787 8.6192 8.6192 8.6640 8.6640 9.6442 9.6442 9.8393 9.8393 10.1543 10.1543 10.2519 10.2519 10.3460 10.3460 10.3865 10.3865 11.2825 11.2825 11.4520 11.4520 12.3973 12.3973 12.5580 12.5580 12.8396 12.8396 14.4378 14.4378 k = 0.2869 0.7032 0.5273 ( 8107 PWs) bands (ev): -80.3607 -80.3607 -80.3584 -80.3584 -46.0452 -46.0452 -46.0387 -46.0387 -44.3285 -44.3285 -44.3163 -44.3163 -44.2922 -44.2922 -44.2902 -44.2902 -16.2775 -16.2775 -3.3537 -3.3537 -1.7545 -1.7545 -0.8907 -0.8907 0.4883 0.4883 1.1304 1.1304 6.5310 6.5310 7.4135 7.4135 8.0988 8.0988 8.5582 8.5582 8.6385 8.6385 8.6722 8.6722 9.6763 9.6763 9.8487 9.8487 10.1233 10.1233 10.2360 10.2360 10.3259 10.3259 10.3747 10.3747 11.2464 11.2464 11.4462 11.4462 12.4126 12.4126 12.6093 12.6093 12.8157 12.8157 14.4307 14.4307 k = 0.2807 0.7174 0.5428 ( 8109 PWs) bands (ev): -80.3605 -80.3605 -80.3586 -80.3586 -46.0447 -46.0447 -46.0393 -46.0393 -44.3274 -44.3274 -44.3173 -44.3173 -44.2921 -44.2921 -44.2904 -44.2904 -16.2763 -16.2763 -3.3619 -3.3619 -1.7548 -1.7548 -0.8798 -0.8798 0.4885 0.4885 1.1294 1.1294 6.5105 6.5105 7.4297 7.4297 8.0788 8.0788 8.5381 8.5381 8.6575 8.6575 8.6802 8.6802 9.7081 9.7081 9.8591 9.8591 10.0909 10.0909 10.2221 10.2221 10.3063 10.3063 10.3635 10.3635 11.2091 11.2091 11.4420 11.4420 12.4278 12.4278 12.6671 12.6671 12.7885 12.7885 14.4291 14.4291 k = 0.2744 0.7316 0.5583 ( 8119 PWs) bands (ev): -80.3604 -80.3604 -80.3590 -80.3590 -46.0442 -46.0442 -46.0398 -46.0398 -44.3265 -44.3265 -44.3184 -44.3184 -44.2920 -44.2920 -44.2906 -44.2906 -16.2753 -16.2753 -3.3688 -3.3688 -1.7549 -1.7549 -0.8701 -0.8701 0.4909 0.4909 1.1250 1.1250 6.4950 6.4950 7.4477 7.4477 8.0549 8.0549 8.5190 8.5190 8.6758 8.6758 8.6884 8.6884 9.7398 9.7398 9.8697 9.8697 10.0578 10.0578 10.2102 10.2102 10.2877 10.2877 10.3534 10.3534 11.1710 11.1710 11.4394 11.4394 12.4431 12.4431 12.7225 12.7225 12.7662 12.7662 14.4330 14.4330 k = 0.2744 0.7316 0.5583 ( 8119 PWs) bands (ev): -80.3604 -80.3604 -80.3590 -80.3590 -46.0442 -46.0442 -46.0398 -46.0398 -44.3265 -44.3265 -44.3184 -44.3184 -44.2920 -44.2920 -44.2906 -44.2906 -16.2753 -16.2753 -3.3688 -3.3688 -1.7549 -1.7549 -0.8701 -0.8701 0.4909 0.4909 1.1250 1.1250 6.4950 6.4950 7.4477 7.4477 8.0549 8.0549 8.5190 8.5190 8.6758 8.6758 8.6884 8.6884 9.7398 9.7398 9.8697 9.8697 10.0578 10.0578 10.2102 10.2102 10.2877 10.2877 10.3534 10.3534 11.1710 11.1710 11.4394 11.4394 12.4431 12.4431 12.7225 12.7225 12.7662 12.7662 14.4330 14.4330 k = 0.2533 0.7273 0.5629 ( 8113 PWs) bands (ev): -80.3602 -80.3602 -80.3590 -80.3590 -46.0440 -46.0440 -46.0400 -46.0400 -44.3262 -44.3262 -44.3186 -44.3186 -44.2919 -44.2919 -44.2906 -44.2906 -16.2750 -16.2750 -3.3706 -3.3706 -1.7550 -1.7550 -0.8674 -0.8674 0.4922 0.4922 1.1227 1.1227 6.4927 6.4927 7.4490 7.4490 8.0510 8.0510 8.5128 8.5128 8.6805 8.6805 8.6913 8.6913 9.7495 9.7495 9.8738 9.8738 10.0480 10.0480 10.2067 10.2067 10.2832 10.2832 10.3500 10.3500 11.1639 11.1639 11.4390 11.4390 12.4199 12.4199 12.7341 12.7341 12.7924 12.7924 14.4359 14.4359 k = 0.2322 0.7231 0.5676 ( 8113 PWs) bands (ev): -80.3603 -80.3603 -80.3590 -80.3590 -46.0438 -46.0438 -46.0402 -46.0402 -44.3258 -44.3258 -44.3190 -44.3190 -44.2918 -44.2918 -44.2907 -44.2907 -16.2748 -16.2748 -3.3723 -3.3723 -1.7549 -1.7549 -0.8647 -0.8647 0.4940 0.4940 1.1195 1.1195 6.4934 6.4934 7.4414 7.4414 8.0549 8.0549 8.5058 8.5058 8.6818 8.6818 8.6963 8.6963 9.7592 9.7592 9.8792 9.8792 10.0383 10.0383 10.2031 10.2031 10.2782 10.2782 10.3440 10.3440 11.1648 11.1648 11.4386 11.4386 12.3630 12.3630 12.7269 12.7269 12.8699 12.8699 14.4404 14.4404 k = 0.2111 0.7188 0.5722 ( 8105 PWs) bands (ev): -80.3601 -80.3601 -80.3589 -80.3589 -46.0436 -46.0436 -46.0403 -46.0403 -44.3255 -44.3255 -44.3193 -44.3193 -44.2917 -44.2917 -44.2907 -44.2907 -16.2746 -16.2746 -3.3738 -3.3738 -1.7549 -1.7549 -0.8620 -0.8620 0.4962 0.4962 1.1156 1.1156 6.4971 6.4971 7.4258 7.4258 8.0659 8.0659 8.4985 8.4985 8.6796 8.6796 8.7037 8.7037 9.7696 9.7696 9.8860 9.8860 10.0288 10.0288 10.1984 10.1984 10.2731 10.2731 10.3367 10.3367 11.1734 11.1734 11.4382 11.4382 12.2943 12.2943 12.7154 12.7154 12.9632 12.9632 14.4469 14.4469 k = 0.1900 0.7146 0.5768 ( 8103 PWs) bands (ev): -80.3600 -80.3600 -80.3590 -80.3590 -46.0435 -46.0435 -46.0404 -46.0404 -44.3252 -44.3252 -44.3196 -44.3196 -44.2917 -44.2917 -44.2907 -44.2907 -16.2744 -16.2744 -3.3752 -3.3752 -1.7548 -1.7548 -0.8595 -0.8595 0.4987 0.4987 1.1111 1.1111 6.5035 6.5035 7.4036 7.4036 8.0829 8.0829 8.4911 8.4911 8.6744 8.6744 8.7119 8.7119 9.7801 9.7801 9.8934 9.8934 10.0197 10.0197 10.1927 10.1927 10.2680 10.2680 10.3278 10.3278 11.1891 11.1891 11.4376 11.4376 12.2217 12.2217 12.7029 12.7029 13.0593 13.0593 14.4550 14.4550 k = 0.1689 0.7103 0.5815 ( 8100 PWs) bands (ev): -80.3598 -80.3598 -80.3591 -80.3591 -46.0433 -46.0433 -46.0406 -46.0406 -44.3249 -44.3249 -44.3199 -44.3199 -44.2916 -44.2916 -44.2908 -44.2908 -16.2742 -16.2742 -3.3765 -3.3765 -1.7548 -1.7548 -0.8570 -0.8570 0.5014 0.5014 1.1064 1.1064 6.5121 6.5121 7.3768 7.3768 8.1043 8.1043 8.4841 8.4841 8.6672 8.6672 8.7199 8.7199 9.7910 9.7910 9.9010 9.9010 10.0113 10.0113 10.1859 10.1859 10.2634 10.2634 10.3187 10.3187 11.2111 11.2111 11.4372 11.4372 12.1483 12.1483 12.6905 12.6905 13.1539 13.1539 14.4651 14.4651 k = 0.1478 0.7061 0.5861 ( 8094 PWs) bands (ev): -80.3596 -80.3596 -80.3591 -80.3591 -46.0431 -46.0431 -46.0407 -46.0407 -44.3246 -44.3246 -44.3202 -44.3202 -44.2916 -44.2916 -44.2908 -44.2908 -16.2740 -16.2740 -3.3777 -3.3777 -1.7547 -1.7547 -0.8548 -0.8548 0.5042 0.5042 1.1016 1.1016 6.5226 6.5226 7.3472 7.3472 8.1283 8.1283 8.4775 8.4775 8.6583 8.6583 8.7277 8.7277 9.8022 9.8022 9.9082 9.9082 10.0044 10.0044 10.1777 10.1777 10.2595 10.2595 10.3101 10.3101 11.2387 11.2387 11.4366 11.4366 12.0757 12.0757 12.6787 12.6787 13.2439 13.2439 14.4770 14.4770 k = 0.1266 0.7018 0.5908 ( 8094 PWs) bands (ev): -80.3596 -80.3596 -80.3591 -80.3591 -46.0430 -46.0430 -46.0409 -46.0409 -44.3243 -44.3243 -44.3205 -44.3205 -44.2915 -44.2915 -44.2909 -44.2909 -16.2739 -16.2739 -3.3787 -3.3787 -1.7546 -1.7546 -0.8527 -0.8527 0.5068 0.5068 1.0970 1.0970 6.5344 6.5344 7.3167 7.3167 8.1534 8.1534 8.4716 8.4716 8.6482 8.6482 8.7347 8.7347 9.8135 9.8135 9.9136 9.9136 9.9998 9.9998 10.1680 10.1680 10.2559 10.2559 10.3018 10.3018 11.2710 11.2710 11.4361 11.4361 12.0046 12.0046 12.6679 12.6679 13.3269 13.3269 14.4905 14.4905 k = 0.1055 0.6976 0.5954 ( 8100 PWs) bands (ev): -80.3596 -80.3596 -80.3593 -80.3593 -46.0428 -46.0428 -46.0411 -46.0411 -44.3240 -44.3240 -44.3208 -44.3208 -44.2915 -44.2915 -44.2909 -44.2909 -16.2738 -16.2738 -3.3795 -3.3795 -1.7546 -1.7546 -0.8509 -0.8509 0.5093 0.5093 1.0926 1.0926 6.5467 6.5467 7.2871 7.2871 8.1782 8.1782 8.4663 8.4663 8.6373 8.6373 8.7409 8.7409 9.8250 9.8250 9.9159 9.9159 9.9983 9.9983 10.1567 10.1567 10.2527 10.2527 10.2944 10.2944 11.3071 11.3071 11.4356 11.4356 11.9357 11.9357 12.6583 12.6583 13.4008 13.4008 14.5051 14.5051 k = 0.0844 0.6933 0.6001 ( 8094 PWs) bands (ev): -80.3595 -80.3595 -80.3592 -80.3592 -46.0426 -46.0426 -46.0412 -46.0412 -44.3236 -44.3236 -44.3211 -44.3211 -44.2914 -44.2914 -44.2910 -44.2910 -16.2737 -16.2737 -3.3802 -3.3802 -1.7545 -1.7545 -0.8493 -0.8493 0.5116 0.5116 1.0888 1.0888 6.5588 6.5588 7.2599 7.2599 8.2015 8.2015 8.4619 8.4619 8.6265 8.6265 8.7463 8.7463 9.8366 9.8366 9.9149 9.9149 10.0009 10.0009 10.1449 10.1449 10.2508 10.2508 10.2885 10.2885 11.3461 11.3461 11.4357 11.4357 11.8701 11.8701 12.6505 12.6505 13.4641 13.4641 14.5201 14.5201 k = 0.0633 0.6891 0.6047 ( 8094 PWs) bands (ev): -80.3595 -80.3595 -80.3592 -80.3592 -46.0424 -46.0424 -46.0414 -46.0414 -44.3233 -44.3233 -44.3214 -44.3214 -44.2913 -44.2913 -44.2911 -44.2911 -16.2736 -16.2736 -3.3808 -3.3808 -1.7545 -1.7545 -0.8481 -0.8481 0.5134 0.5134 1.0856 1.0856 6.5698 6.5698 7.2367 7.2367 8.2216 8.2216 8.4583 8.4583 8.6164 8.6164 8.7505 8.7505 9.8483 9.8483 9.9102 9.9102 10.0065 10.0065 10.1327 10.1327 10.2492 10.2492 10.2839 10.2839 11.3852 11.3852 11.4372 11.4372 11.8087 11.8087 12.6442 12.6442 13.5149 13.5149 14.5342 14.5342 k = 0.0422 0.6848 0.6094 ( 8096 PWs) bands (ev): -80.3595 -80.3595 -80.3593 -80.3593 -46.0423 -46.0423 -46.0416 -46.0416 -44.3230 -44.3230 -44.3217 -44.3217 -44.2913 -44.2913 -44.2911 -44.2911 -16.2736 -16.2736 -3.3812 -3.3812 -1.7544 -1.7544 -0.8472 -0.8472 0.5148 0.5148 1.0833 1.0833 6.5785 6.5785 7.2189 7.2189 8.2372 8.2372 8.4556 8.4556 8.6081 8.6081 8.7537 8.7537 9.8596 9.8596 9.9030 9.9030 10.0133 10.0133 10.1217 10.1217 10.2482 10.2482 10.2805 10.2805 11.4155 11.4155 11.4462 11.4462 11.7544 11.7544 12.6396 12.6396 13.5520 13.5520 14.5460 14.5460 k = 0.0211 0.6806 0.6140 ( 8106 PWs) bands (ev): -80.3596 -80.3596 -80.3595 -80.3595 -46.0421 -46.0421 -46.0418 -46.0418 -44.3227 -44.3227 -44.3221 -44.3221 -44.2913 -44.2913 -44.2912 -44.2912 -16.2735 -16.2735 -3.3814 -3.3814 -1.7544 -1.7544 -0.8467 -0.8467 0.5156 0.5156 1.0818 1.0818 6.5842 6.5842 7.2077 7.2077 8.2472 8.2472 8.4540 8.4540 8.6026 8.6026 8.7555 8.7555 9.8700 9.8700 9.8946 9.8946 10.0189 10.0189 10.1133 10.1133 10.2472 10.2472 10.2779 10.2779 11.4249 11.4249 11.4689 11.4689 11.7129 11.7129 12.6367 12.6367 13.5745 13.5745 14.5538 14.5538 k = 0.0000 0.6763 0.6186 ( 8116 PWs) bands (ev): -80.3597 -80.3597 -80.3597 -80.3597 -46.0420 -46.0420 -46.0420 -46.0420 -44.3224 -44.3224 -44.3224 -44.3224 -44.2913 -44.2913 -44.2913 -44.2913 -16.2735 -16.2735 -3.3815 -3.3815 -1.7544 -1.7544 -0.8465 -0.8465 0.5159 0.5159 1.0813 1.0813 6.5861 6.5861 7.2038 7.2038 8.2506 8.2506 8.4533 8.4533 8.6006 8.6006 8.7559 8.7559 9.8761 9.8761 9.8888 9.8888 10.0212 10.0212 10.1101 10.1101 10.2465 10.2465 10.2768 10.2768 11.4262 11.4262 11.4811 11.4811 11.6962 11.6962 12.6356 12.6356 13.5820 13.5820 14.5565 14.5565 k = 0.0000 0.6763 0.6186 ( 8116 PWs) bands (ev): -80.3597 -80.3597 -80.3597 -80.3597 -46.0420 -46.0420 -46.0420 -46.0420 -44.3224 -44.3224 -44.3224 -44.3224 -44.2913 -44.2913 -44.2913 -44.2913 -16.2735 -16.2735 -3.3815 -3.3815 -1.7544 -1.7544 -0.8465 -0.8465 0.5159 0.5159 1.0813 1.0813 6.5861 6.5861 7.2038 7.2038 8.2506 8.2506 8.4533 8.4533 8.6006 8.6006 8.7559 8.7559 9.8761 9.8761 9.8888 9.8888 10.0212 10.0212 10.1101 10.1101 10.2465 10.2465 10.2768 10.2768 11.4262 11.4262 11.4811 11.4811 11.6962 11.6962 12.6356 12.6356 13.5820 13.5820 14.5565 14.5565 k = 0.0063 0.6622 0.6341 ( 8102 PWs) bands (ev): -80.3595 -80.3595 -80.3595 -80.3595 -46.0420 -46.0420 -46.0420 -46.0420 -44.3224 -44.3224 -44.3224 -44.3224 -44.2912 -44.2912 -44.2912 -44.2912 -16.2734 -16.2734 -3.3813 -3.3813 -1.7542 -1.7542 -0.8474 -0.8474 0.5166 0.5166 1.0805 1.0805 6.5877 6.5877 7.2016 7.2016 8.2493 8.2493 8.4547 8.4547 8.6008 8.6008 8.7555 8.7555 9.8748 9.8748 9.8881 9.8881 10.0196 10.0196 10.1125 10.1125 10.2477 10.2477 10.2780 10.2780 11.4218 11.4218 11.4816 11.4816 11.7014 11.7014 12.6249 12.6249 13.5838 13.5838 14.5723 14.5723 k = 0.0125 0.6480 0.6496 ( 8098 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0419 -46.0419 -46.0419 -46.0419 -44.3225 -44.3225 -44.3224 -44.3224 -44.2912 -44.2912 -44.2911 -44.2911 -16.2731 -16.2731 -3.3804 -3.3804 -1.7536 -1.7536 -0.8502 -0.8502 0.5187 0.5187 1.0782 1.0782 6.5922 6.5922 7.1950 7.1950 8.2454 8.2454 8.4585 8.4585 8.6008 8.6008 8.7533 8.7533 9.8695 9.8695 9.8849 9.8849 10.0143 10.0143 10.1187 10.1187 10.2501 10.2501 10.2804 10.2804 11.4091 11.4091 11.4827 11.4827 11.7154 11.7154 12.5931 12.5931 13.5887 13.5887 14.6183 14.6183 k = 0.0187 0.6339 0.6650 ( 8100 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0420 -46.0420 -46.0419 -46.0419 -44.3226 -44.3226 -44.3224 -44.3224 -44.2911 -44.2911 -44.2910 -44.2910 -16.2726 -16.2726 -3.3790 -3.3790 -1.7527 -1.7527 -0.8547 -0.8547 0.5221 0.5221 1.0744 1.0744 6.5996 6.5996 7.1842 7.1842 8.2388 8.2388 8.4644 8.4644 8.6000 8.6000 8.7505 8.7505 9.8616 9.8616 9.8788 9.8788 10.0065 10.0065 10.1271 10.1271 10.2540 10.2540 10.2843 10.2843 11.3895 11.3895 11.4851 11.4851 11.7353 11.7353 12.5439 12.5439 13.5968 13.5968 14.6913 14.6913 k = 0.0250 0.6197 0.6805 ( 8108 PWs) bands (ev): -80.3596 -80.3596 -80.3596 -80.3596 -46.0420 -46.0420 -46.0420 -46.0420 -44.3227 -44.3227 -44.3226 -44.3226 -44.2911 -44.2911 -44.2909 -44.2909 -16.2719 -16.2719 -3.3771 -3.3771 -1.7514 -1.7514 -0.8610 -0.8610 0.5268 0.5268 1.0690 1.0690 6.6099 6.6099 7.1695 7.1695 8.2297 8.2297 8.4722 8.4722 8.5975 8.5975 8.7480 8.7480 9.8513 9.8513 9.8701 9.8701 9.9963 9.9963 10.1364 10.1364 10.2597 10.2597 10.2897 10.2897 11.3652 11.3652 11.4886 11.4886 11.7586 11.7586 12.4815 12.4815 13.6081 13.6081 14.7869 14.7869 k = 0.0312 0.6056 0.6960 ( 8100 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0420 -46.0420 -46.0420 -46.0420 -44.3229 -44.3229 -44.3227 -44.3227 -44.2909 -44.2909 -44.2907 -44.2907 -16.2710 -16.2710 -3.3747 -3.3747 -1.7497 -1.7497 -0.8689 -0.8689 0.5329 0.5329 1.0620 1.0620 6.6228 6.6228 7.1512 7.1512 8.2181 8.2181 8.4818 8.4818 8.5928 8.5928 8.7471 8.7471 9.8402 9.8402 9.8600 9.8600 9.9853 9.9853 10.1462 10.1462 10.2672 10.2672 10.2964 10.2964 11.3385 11.3385 11.4930 11.4930 11.7837 11.7837 12.4108 12.4108 13.6232 13.6232 14.9006 14.9006 k = 0.0375 0.5914 0.7114 ( 8100 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0420 -46.0420 -46.0420 -46.0420 -44.3231 -44.3231 -44.3228 -44.3228 -44.2908 -44.2908 -44.2905 -44.2905 -16.2699 -16.2699 -3.3718 -3.3718 -1.7477 -1.7477 -0.8783 -0.8783 0.5402 0.5402 1.0536 1.0536 6.6382 6.6382 7.1298 7.1298 8.2042 8.2042 8.4923 8.4923 8.5844 8.5844 8.7488 8.7488 9.8273 9.8273 9.8482 9.8482 9.9725 9.9725 10.1554 10.1554 10.2765 10.2765 10.3046 10.3046 11.3102 11.3102 11.4970 11.4970 11.8084 11.8084 12.3356 12.3356 13.6417 13.6417 15.0276 15.0276 k = 0.0437 0.5773 0.7269 ( 8088 PWs) bands (ev): -80.3593 -80.3593 -80.3593 -80.3593 -46.0420 -46.0420 -46.0419 -46.0419 -44.3232 -44.3232 -44.3229 -44.3229 -44.2906 -44.2906 -44.2903 -44.2903 -16.2686 -16.2686 -3.3685 -3.3685 -1.7454 -1.7454 -0.8891 -0.8891 0.5489 0.5489 1.0436 1.0436 6.6559 6.6559 7.1058 7.1058 8.1880 8.1880 8.5030 8.5030 8.5725 8.5725 8.7544 8.7544 9.8138 9.8138 9.8362 9.8362 9.9584 9.9584 10.1634 10.1634 10.2873 10.2873 10.3139 10.3139 11.2812 11.2812 11.5001 11.5001 11.8321 11.8321 12.2604 12.2604 13.6641 13.6641 15.1534 15.1534 k = 0.0500 0.5632 0.7424 ( 8096 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0420 -46.0420 -46.0420 -46.0420 -44.3235 -44.3235 -44.3232 -44.3232 -44.2904 -44.2904 -44.2901 -44.2901 -16.2671 -16.2671 -3.3648 -3.3648 -1.7427 -1.7427 -0.9010 -0.9010 0.5587 0.5587 1.0321 1.0321 6.6755 6.6755 7.0795 7.0795 8.1695 8.1695 8.5114 8.5114 8.5584 8.5584 8.7637 8.7637 9.7984 9.7984 9.8233 9.8233 9.9428 9.9428 10.1695 10.1695 10.2990 10.2990 10.3241 10.3241 11.2515 11.2515 11.5005 11.5005 11.8529 11.8529 12.1874 12.1874 13.6904 13.6904 15.1872 15.1872 k = 0.0563 0.5490 0.7578 ( 8098 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0420 -46.0420 -46.0420 -46.0420 -44.3238 -44.3238 -44.3234 -44.3234 -44.2902 -44.2902 -44.2898 -44.2898 -16.2655 -16.2655 -3.3607 -3.3607 -1.7398 -1.7398 -0.9139 -0.9139 0.5698 0.5698 1.0191 1.0191 6.6967 6.6967 7.0516 7.0516 8.1490 8.1490 8.5104 8.5104 8.5502 8.5502 8.7763 8.7763 9.7825 9.7825 9.8108 9.8108 9.9260 9.9260 10.1735 10.1735 10.3114 10.3114 10.3355 10.3355 11.2216 11.2216 11.4969 11.4969 11.8710 11.8710 12.1209 12.1209 13.7209 13.7209 15.2059 15.2059 k = 0.0625 0.5349 0.7733 ( 8086 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0420 -46.0420 -46.0419 -46.0419 -44.3240 -44.3240 -44.3236 -44.3236 -44.2899 -44.2899 -44.2895 -44.2895 -16.2637 -16.2637 -3.3563 -3.3563 -1.7366 -1.7366 -0.9275 -0.9275 0.5820 0.5820 1.0046 1.0046 6.7193 6.7193 7.0224 7.0224 8.1267 8.1267 8.4936 8.4936 8.5545 8.5545 8.7926 8.7926 9.7662 9.7662 9.7992 9.7992 9.9089 9.9089 10.1753 10.1753 10.3247 10.3247 10.3483 10.3483 11.1921 11.1921 11.4883 11.4883 11.8858 11.8858 12.0631 12.0631 13.7560 13.7560 15.2231 15.2231 k = 0.0688 0.5207 0.7888 ( 8086 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0420 -46.0420 -46.0420 -46.0420 -44.3243 -44.3243 -44.3238 -44.3238 -44.2897 -44.2897 -44.2893 -44.2893 -16.2618 -16.2618 -3.3517 -3.3517 -1.7332 -1.7332 -0.9418 -0.9418 0.5953 0.5953 0.9886 0.9886 6.7426 6.7426 6.9925 6.9925 8.1025 8.1025 8.4683 8.4683 8.5638 8.5638 8.8115 8.8115 9.7491 9.7491 9.7880 9.7880 9.8912 9.8912 10.1744 10.1744 10.3378 10.3378 10.3615 10.3615 11.1621 11.1621 11.4726 11.4726 11.8960 11.8960 12.0161 12.0161 13.7958 13.7958 15.2312 15.2312 k = 0.0750 0.5066 0.8042 ( 8082 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0420 -46.0420 -46.0420 -46.0420 -44.3246 -44.3246 -44.3241 -44.3241 -44.2894 -44.2894 -44.2889 -44.2889 -16.2597 -16.2597 -3.3469 -3.3469 -1.7296 -1.7296 -0.9564 -0.9564 0.6097 0.6097 0.9711 0.9711 6.7662 6.7662 6.9624 6.9624 8.0766 8.0766 8.4396 8.4396 8.5739 8.5739 8.8329 8.8329 9.7318 9.7318 9.7776 9.7776 9.8738 9.8738 10.1707 10.1707 10.3508 10.3508 10.3758 10.3758 11.1327 11.1327 11.4495 11.4495 11.9014 11.9014 11.9812 11.9812 13.8407 13.8407 15.2182 15.2182 k = 0.0813 0.4924 0.8197 ( 8082 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0420 -46.0420 -46.0420 -46.0420 -44.3249 -44.3249 -44.3244 -44.3244 -44.2891 -44.2891 -44.2886 -44.2886 -16.2575 -16.2575 -3.3420 -3.3420 -1.7259 -1.7259 -0.9711 -0.9711 0.6250 0.6250 0.9523 0.9523 6.7896 6.7896 6.9324 6.9324 8.0491 8.0491 8.4093 8.4093 8.5835 8.5835 8.8562 8.8562 9.7143 9.7143 9.7676 9.7676 9.8565 9.8565 10.1643 10.1643 10.3634 10.3634 10.3905 10.3905 11.1036 11.1036 11.4195 11.4195 11.9014 11.9014 11.9579 11.9579 13.8908 13.8908 15.1849 15.1849 k = 0.0875 0.4783 0.8352 ( 8086 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0421 -46.0421 -46.0420 -46.0420 -44.3252 -44.3252 -44.3247 -44.3247 -44.2888 -44.2888 -44.2883 -44.2883 -16.2552 -16.2552 -3.3371 -3.3371 -1.7220 -1.7220 -0.9857 -0.9857 0.6412 0.6412 0.9321 0.9321 6.8116 6.8116 6.9035 6.9035 8.0203 8.0203 8.3782 8.3782 8.5919 8.5919 8.8814 8.8814 9.6969 9.6969 9.7576 9.7576 9.8400 9.8400 10.1551 10.1551 10.3756 10.3756 10.4052 10.4052 11.0747 11.0747 11.3845 11.3845 11.8970 11.8970 11.9439 11.9439 13.9463 13.9463 15.1435 15.1435 k = 0.0938 0.4641 0.8506 ( 8092 PWs) bands (ev): -80.3593 -80.3593 -80.3593 -80.3593 -46.0421 -46.0421 -46.0420 -46.0420 -44.3255 -44.3255 -44.3250 -44.3250 -44.2885 -44.2885 -44.2880 -44.2880 -16.2528 -16.2528 -3.3322 -3.3322 -1.7180 -1.7180 -1.0000 -1.0000 0.6582 0.6582 0.9106 0.9106 6.8298 6.8298 6.8779 6.8779 7.9903 7.9903 8.3474 8.3474 8.5989 8.5989 8.9081 8.9081 9.6797 9.6797 9.7479 9.7479 9.8248 9.8248 10.1432 10.1432 10.3871 10.3871 10.4199 10.4199 11.0460 11.0460 11.3461 11.3461 11.8897 11.8897 11.9355 11.9355 14.0075 14.0075 15.1021 15.1021 k = 0.1000 0.4500 0.8661 ( 8096 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0421 -46.0421 -46.0421 -46.0421 -44.3259 -44.3259 -44.3253 -44.3253 -44.2882 -44.2882 -44.2877 -44.2877 -16.2503 -16.2503 -3.3273 -3.3273 -1.7139 -1.7139 -1.0138 -1.0138 0.6760 0.6760 0.8878 0.8878 6.8309 6.8309 6.8684 6.8684 7.9594 7.9594 8.3179 8.3179 8.6043 8.6043 8.9361 8.9361 9.6629 9.6629 9.7375 9.7375 9.8117 9.8117 10.1290 10.1290 10.3982 10.3982 10.4344 10.4344 11.0179 11.0179 11.3068 11.3068 11.8805 11.8805 11.9292 11.9292 14.0745 14.0745 15.0642 15.0642 k = 0.1062 0.4358 0.8816 ( 8092 PWs) bands (ev): -80.3593 -80.3593 -80.3593 -80.3593 -46.0421 -46.0421 -46.0421 -46.0421 -44.3262 -44.3262 -44.3256 -44.3256 -44.2879 -44.2879 -44.2874 -44.2874 -16.2477 -16.2477 -3.3226 -3.3226 -1.7097 -1.7097 -1.0269 -1.0269 0.6944 0.6944 0.8638 0.8638 6.8102 6.8102 6.8796 6.8796 7.9277 7.9277 8.2902 8.2902 8.6079 8.6079 8.9655 8.9655 9.6471 9.6471 9.7268 9.7268 9.8012 9.8012 10.1125 10.1125 10.4087 10.4087 10.4486 10.4486 10.9905 10.9905 11.2680 11.2680 11.8697 11.8697 11.9235 11.9235 14.1472 14.1472 15.0312 15.0312 k = 0.1125 0.4217 0.8970 ( 8098 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0422 -46.0422 -46.0421 -46.0421 -44.3265 -44.3265 -44.3260 -44.3260 -44.2876 -44.2876 -44.2870 -44.2870 -16.2451 -16.2451 -3.3181 -3.3181 -1.7055 -1.7055 -1.0391 -1.0391 0.7134 0.7134 0.8387 0.8387 6.7859 6.7859 6.8925 6.8925 7.8954 7.8954 8.2653 8.2653 8.6097 8.6097 8.9958 8.9958 9.6318 9.6318 9.7149 9.7149 9.7932 9.7932 10.0937 10.0937 10.4180 10.4180 10.4619 10.4619 10.9634 10.9634 11.2304 11.2304 11.8565 11.8565 11.9171 11.9171 14.2255 14.2255 15.0038 15.0038 k = 0.1187 0.4075 0.9125 ( 8102 PWs) bands (ev): -80.3595 -80.3595 -80.3594 -80.3594 -46.0422 -46.0422 -46.0422 -46.0422 -44.3269 -44.3269 -44.3263 -44.3263 -44.2873 -44.2873 -44.2867 -44.2867 -16.2425 -16.2425 -3.3139 -3.3139 -1.7012 -1.7012 -1.0503 -1.0503 0.7328 0.7328 0.8126 0.8126 6.7622 6.7622 6.9028 6.9028 7.8626 7.8626 8.2439 8.2439 8.6096 8.6096 9.0269 9.0269 9.6175 9.6175 9.7022 9.7022 9.7880 9.7880 10.0732 10.0732 10.4265 10.4265 10.4748 10.4748 10.9369 10.9369 11.1944 11.1944 11.8411 11.8411 11.9098 11.9098 14.3090 14.3090 14.9823 14.9823 k = 0.1250 0.3934 0.9280 ( 8100 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0422 -46.0422 -46.0422 -46.0422 -44.3272 -44.3272 -44.3266 -44.3266 -44.2870 -44.2870 -44.2864 -44.2864 -16.2398 -16.2398 -3.3100 -3.3100 -1.6970 -1.6970 -1.0603 -1.0603 0.7525 0.7525 0.7858 0.7858 6.7398 6.7398 6.9092 6.9092 7.8297 7.8297 8.2267 8.2267 8.6076 8.6076 9.0589 9.0589 9.6039 9.6039 9.6894 9.6894 9.7853 9.7853 10.0516 10.0516 10.4341 10.4341 10.4873 10.4873 10.9115 10.9115 11.1604 11.1604 11.8239 11.8239 11.9007 11.9007 14.3972 14.3972 14.9669 14.9669 k = 0.1313 0.3792 0.9434 ( 8096 PWs) bands (ev): -80.3594 -80.3594 -80.3594 -80.3594 -46.0422 -46.0422 -46.0422 -46.0422 -44.3275 -44.3275 -44.3269 -44.3269 -44.2867 -44.2867 -44.2861 -44.2861 -16.2372 -16.2372 -3.3064 -3.3064 -1.6927 -1.6927 -1.0691 -1.0691 0.7570 0.7570 0.7735 0.7735 6.7191 6.7191 6.9113 6.9113 7.7967 7.7967 8.2141 8.2141 8.6038 8.6038 9.0914 9.0914 9.5914 9.5914 9.6761 9.6761 9.7848 9.7848 10.0291 10.0291 10.4407 10.4407 10.4989 10.4989 10.8866 10.8866 11.1281 11.1281 11.8059 11.8059 11.8898 11.8898 14.4891 14.4891 14.9575 14.9575 k = 0.1375 0.3651 0.9589 ( 8090 PWs) bands (ev): -80.3593 -80.3593 -80.3593 -80.3593 -46.0422 -46.0422 -46.0422 -46.0422 -44.3278 -44.3278 -44.3272 -44.3272 -44.2864 -44.2864 -44.2857 -44.2857 -16.2345 -16.2345 -3.3032 -3.3032 -1.6885 -1.6885 -1.0766 -1.0766 0.7291 0.7291 0.7932 0.7932 6.7003 6.7003 6.9088 6.9088 7.7639 7.7639 8.2065 8.2065 8.5982 8.5982 9.1243 9.1243 9.5802 9.5802 9.6634 9.6634 9.7861 9.7861 10.0064 10.0064 10.4461 10.4461 10.5098 10.5098 10.8626 10.8626 11.0969 11.0969 11.7869 11.7869 11.8763 11.8763 14.5833 14.5833 14.9546 14.9546 k = 0.1437 0.3509 0.9744 ( 8090 PWs) bands (ev): -80.3593 -80.3593 -80.3593 -80.3593 -46.0422 -46.0422 -46.0422 -46.0422 -44.3281 -44.3281 -44.3275 -44.3275 -44.2861 -44.2861 -44.2854 -44.2854 -16.2319 -16.2319 -3.3005 -3.3005 -1.6843 -1.6843 -1.0827 -1.0827 0.7003 0.7003 0.8133 0.8133 6.6832 6.6832 6.9016 6.9016 7.7314 7.7314 8.2040 8.2040 8.5910 8.5910 9.1574 9.1574 9.5699 9.5699 9.6507 9.6507 9.7883 9.7883 9.9836 9.9836 10.4506 10.4506 10.5199 10.5199 10.8392 10.8392 11.0666 11.0666 11.7675 11.7675 11.8601 11.8601 14.6775 14.6775 14.9580 14.9580 k = 0.1500 0.3368 0.9898 ( 8090 PWs) bands (ev): -80.3593 -80.3593 -80.3593 -80.3593 -46.0423 -46.0423 -46.0422 -46.0422 -44.3284 -44.3284 -44.3278 -44.3278 -44.2858 -44.2858 -44.2851 -44.2851 -16.2293 -16.2293 -3.2981 -3.2981 -1.6801 -1.6801 -1.0875 -1.0875 0.6712 0.6712 0.8334 0.8334 6.6681 6.6681 6.8900 6.8900 7.6994 7.6994 8.2064 8.2064 8.5824 8.5824 9.1904 9.1904 9.5609 9.5609 9.6383 9.6383 9.7918 9.7918 9.9610 9.9610 10.4542 10.4542 10.5290 10.5290 10.8166 10.8166 11.0367 11.0367 11.7482 11.7482 11.8418 11.8418 14.7681 14.7681 14.9686 14.9686 k = 0.1562 0.3227 1.0053 ( 8082 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0422 -46.0422 -46.0422 -46.0422 -44.3287 -44.3287 -44.3280 -44.3280 -44.2855 -44.2855 -44.2848 -44.2848 -16.2268 -16.2268 -3.2962 -3.2962 -1.6759 -1.6759 -1.0909 -1.0909 0.6419 0.6419 0.8532 0.8532 6.6547 6.6547 6.8746 6.8746 7.6681 7.6681 8.2133 8.2133 8.5726 8.5726 9.2232 9.2232 9.5534 9.5534 9.6271 9.6271 9.7962 9.7962 9.9398 9.9398 10.4570 10.4570 10.5378 10.5378 10.7954 10.7954 11.0069 11.0069 11.7291 11.7291 11.8214 11.8214 14.8495 14.8495 14.9880 14.9880 k = 0.1625 0.3085 1.0208 ( 8082 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0422 -46.0422 -44.3289 -44.3289 -44.3283 -44.3283 -44.2852 -44.2852 -44.2846 -44.2846 -16.2244 -16.2244 -3.2947 -3.2947 -1.6718 -1.6718 -1.0930 -1.0930 0.6128 0.6128 0.8726 0.8726 6.6432 6.6432 6.8559 6.8559 7.6377 7.6377 8.2242 8.2242 8.5617 8.5617 9.2553 9.2553 9.5471 9.5471 9.6160 9.6160 9.8011 9.8011 9.9197 9.9197 10.4586 10.4586 10.5454 10.5454 10.7747 10.7747 10.9760 10.9760 11.7113 11.7113 11.7999 11.7999 14.9144 14.9144 15.0172 15.0172 k = 0.1688 0.2944 1.0362 ( 8086 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0423 -46.0423 -46.0422 -46.0422 -44.3292 -44.3292 -44.3285 -44.3285 -44.2850 -44.2850 -44.2843 -44.2843 -16.2220 -16.2220 -3.2936 -3.2936 -1.6677 -1.6677 -1.0940 -1.0940 0.5839 0.5839 0.8914 0.8914 6.6334 6.6334 6.8347 6.8347 7.6082 7.6082 8.2384 8.2384 8.5501 8.5501 9.2862 9.2862 9.5422 9.5422 9.6060 9.6060 9.8063 9.8063 9.9019 9.9019 10.4595 10.4595 10.5519 10.5519 10.7546 10.7546 10.9439 10.9439 11.6939 11.6939 11.7771 11.7771 14.9613 14.9613 15.0521 15.0521 k = 0.1750 0.2802 1.0517 ( 8082 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0422 -46.0422 -44.3294 -44.3294 -44.3287 -44.3287 -44.2848 -44.2848 -44.2841 -44.2841 -16.2198 -16.2198 -3.2929 -3.2929 -1.6638 -1.6638 -1.0938 -1.0938 0.5557 0.5557 0.9096 0.9096 6.6252 6.6252 6.8117 6.8117 7.5801 7.5801 8.2552 8.2552 8.5379 8.5379 9.3156 9.3156 9.5393 9.5393 9.5970 9.5970 9.8117 9.8117 9.8868 9.8868 10.4601 10.4601 10.5577 10.5577 10.7358 10.7358 10.9105 10.9105 11.6781 11.6781 11.7547 11.7547 14.9979 14.9979 15.0828 15.0828 k = 0.1812 0.2661 1.0672 ( 8080 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0422 -46.0422 -44.3296 -44.3296 -44.3289 -44.3289 -44.2845 -44.2845 -44.2839 -44.2839 -16.2177 -16.2177 -3.2925 -3.2925 -1.6599 -1.6599 -1.0927 -1.0927 0.5282 0.5282 0.9270 0.9270 6.6183 6.6183 6.7878 6.7878 7.5534 7.5534 8.2736 8.2736 8.5256 8.5256 9.3426 9.3426 9.5379 9.5379 9.5888 9.5888 9.8169 9.8169 9.8752 9.8752 10.4600 10.4600 10.5626 10.5626 10.7178 10.7178 10.8753 10.8753 11.6638 11.6638 11.7327 11.7327 15.0310 15.0310 15.1068 15.1068 k = 0.1875 0.2519 1.0826 ( 8078 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0422 -46.0422 -44.3298 -44.3298 -44.3291 -44.3291 -44.2843 -44.2843 -44.2836 -44.2836 -16.2157 -16.2157 -3.2923 -3.2923 -1.6562 -1.6562 -1.0908 -1.0908 0.5019 0.5019 0.9435 0.9435 6.6127 6.6127 6.7637 6.7637 7.5283 7.5283 8.2931 8.2931 8.5133 8.5133 9.3669 9.3669 9.5377 9.5377 9.5816 9.5816 9.8218 9.8218 9.8680 9.8680 10.4597 10.4597 10.5665 10.5665 10.7008 10.7008 10.8385 10.8385 11.6506 11.6506 11.7115 11.7115 15.0616 15.0616 15.1289 15.1289 k = 0.1938 0.2378 1.0981 ( 8078 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0423 -46.0423 -44.3300 -44.3300 -44.3293 -44.3293 -44.2841 -44.2841 -44.2835 -44.2835 -16.2139 -16.2139 -3.2925 -3.2925 -1.6526 -1.6526 -1.0882 -1.0882 0.4769 0.4769 0.9588 0.9588 6.6080 6.6080 6.7402 6.7402 7.5049 7.5049 8.3127 8.3127 8.5015 8.5015 9.3881 9.3881 9.5380 9.5380 9.5757 9.5757 9.8262 9.8262 9.8662 9.8662 10.4589 10.4589 10.5693 10.5693 10.6849 10.6849 10.8004 10.8004 11.6385 11.6385 11.6917 11.6917 15.0875 15.0875 15.1558 15.1558 k = 0.2000 0.2236 1.1136 ( 8084 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0423 -46.0423 -44.3302 -44.3302 -44.3295 -44.3295 -44.2840 -44.2840 -44.2833 -44.2833 -16.2122 -16.2122 -3.2928 -3.2928 -1.6493 -1.6493 -1.0852 -1.0852 0.4535 0.4535 0.9730 0.9730 6.6040 6.6040 6.7181 6.7181 7.4835 7.4835 8.3317 8.3317 8.4903 8.4903 9.4061 9.4061 9.5382 9.5382 9.5707 9.5707 9.8300 9.8300 9.8697 9.8697 10.4578 10.4578 10.5700 10.5700 10.6695 10.6695 10.7617 10.7617 11.6280 11.6280 11.6741 11.6741 15.1071 15.1071 15.1910 15.1910 k = 0.2062 0.2095 1.1290 ( 8080 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0423 -46.0423 -44.3303 -44.3303 -44.3296 -44.3296 -44.2838 -44.2838 -44.2832 -44.2832 -16.2107 -16.2107 -3.2932 -3.2932 -1.6462 -1.6462 -1.0819 -1.0819 0.4321 0.4321 0.9858 0.9858 6.6003 6.6003 6.6981 6.6981 7.4641 7.4641 8.3495 8.3495 8.4803 8.4803 9.4212 9.4212 9.5379 9.5379 9.5667 9.5667 9.8341 9.8341 9.8790 9.8790 10.4571 10.4571 10.5687 10.5687 10.6554 10.6554 10.7244 10.7244 11.6188 11.6188 11.6586 11.6586 15.1227 15.1227 15.2338 15.2338 k = 0.2125 0.1953 1.1445 ( 8086 PWs) bands (ev): -80.3592 -80.3592 -80.3592 -80.3592 -46.0424 -46.0424 -46.0423 -46.0423 -44.3304 -44.3304 -44.3298 -44.3298 -44.2837 -44.2837 -44.2830 -44.2830 -16.2094 -16.2094 -3.2937 -3.2937 -1.6435 -1.6435 -1.0786 -1.0786 0.4129 0.4129 0.9971 0.9971 6.5966 6.5966 6.6808 6.6808 7.4469 7.4469 8.3652 8.3652 8.4717 8.4717 9.4335 9.4335 9.5365 9.5365 9.5627 9.5627 9.8382 9.8382 9.8934 9.8934 10.4556 10.4556 10.5629 10.5629 10.6423 10.6423 10.6902 10.6902 11.6108 11.6108 11.6454 11.6454 15.1361 15.1361 15.2817 15.2817 k = 0.2188 0.1812 1.1600 ( 8080 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0423 -46.0423 -46.0423 -46.0423 -44.3305 -44.3305 -44.3299 -44.3299 -44.2836 -44.2836 -44.2829 -44.2829 -16.2083 -16.2083 -3.2942 -3.2942 -1.6410 -1.6410 -1.0753 -1.0753 0.3961 0.3961 1.0069 1.0069 6.5926 6.5926 6.6668 6.6668 7.4321 7.4321 8.3783 8.3783 8.4651 8.4651 9.4440 9.4440 9.5350 9.5350 9.5586 9.5586 9.8419 9.8419 9.9123 9.9123 10.4550 10.4550 10.5506 10.5506 10.6311 10.6311 10.6639 10.6639 11.6043 11.6043 11.6350 11.6350 15.1483 15.1483 15.3330 15.3330 k = 0.2250 0.1670 1.1754 ( 8074 PWs) bands (ev): -80.3590 -80.3590 -80.3590 -80.3590 -46.0423 -46.0423 -46.0423 -46.0423 -44.3306 -44.3306 -44.3299 -44.3299 -44.2835 -44.2835 -44.2828 -44.2828 -16.2073 -16.2073 -3.2947 -3.2947 -1.6390 -1.6390 -1.0724 -1.0724 0.3820 0.3820 1.0151 1.0151 6.5881 6.5881 6.6562 6.6562 7.4199 7.4199 8.3882 8.3882 8.4607 8.4607 9.4528 9.4528 9.5335 9.5335 9.5540 9.5540 9.8453 9.8453 9.9339 9.9339 10.4547 10.4547 10.5305 10.5305 10.6230 10.6230 10.6464 10.6464 11.5982 11.5982 11.6261 11.6261 15.1594 15.1594 15.3862 15.3862 k = 0.2313 0.1529 1.1909 ( 8084 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0424 -46.0424 -46.0423 -46.0423 -44.3307 -44.3307 -44.3301 -44.3301 -44.2834 -44.2834 -44.2827 -44.2827 -16.2066 -16.2066 -3.2951 -3.2951 -1.6374 -1.6374 -1.0699 -1.0699 0.3707 0.3707 1.0215 1.0215 6.5836 6.5836 6.6488 6.6488 7.4102 7.4102 8.3948 8.3948 8.4585 8.4585 9.4599 9.4599 9.5319 9.5319 9.5490 9.5490 9.8478 9.8478 9.9559 9.9559 10.4536 10.4536 10.5055 10.5055 10.6180 10.6180 10.6348 10.6348 11.5930 11.5930 11.6191 11.6191 15.1687 15.1687 15.4393 15.4393 k = 0.2375 0.1387 1.2064 ( 8082 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0424 -46.0424 -46.0423 -46.0423 -44.3308 -44.3308 -44.3301 -44.3301 -44.2834 -44.2834 -44.2827 -44.2827 -16.2061 -16.2061 -3.2955 -3.2955 -1.6362 -1.6362 -1.0681 -1.0681 0.3626 0.3626 1.0261 1.0261 6.5797 6.5797 6.6442 6.6442 7.4032 7.4032 8.3984 8.3984 8.4580 8.4580 9.4658 9.4658 9.5310 9.5310 9.5445 9.5445 9.8496 9.8496 9.9753 9.9753 10.4524 10.4524 10.4829 10.4829 10.6161 10.6161 10.6276 10.6276 11.5895 11.5895 11.6144 11.6144 15.1760 15.1760 15.4888 15.4888 k = 0.2437 0.1246 1.2218 ( 8084 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0424 -46.0424 -46.0423 -46.0423 -44.3308 -44.3308 -44.3302 -44.3302 -44.2833 -44.2833 -44.2826 -44.2826 -16.2057 -16.2057 -3.2957 -3.2957 -1.6355 -1.6355 -1.0669 -1.0669 0.3577 0.3577 1.0289 1.0289 6.5770 6.5770 6.6416 6.6416 7.3990 7.3990 8.4001 8.4001 8.4584 8.4584 9.4694 9.4694 9.5307 9.5307 9.5412 9.5412 9.8506 9.8506 9.9889 9.9889 10.4503 10.4503 10.4683 10.4683 10.6156 10.6156 10.6233 10.6233 11.5871 11.5871 11.6115 11.6115 15.1804 15.1804 15.5272 15.5272 k = 0.2500 0.1104 1.2373 ( 8084 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0424 -46.0424 -46.0423 -46.0423 -44.3308 -44.3308 -44.3302 -44.3302 -44.2833 -44.2833 -44.2826 -44.2826 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3560 0.3560 1.0298 1.0298 6.5760 6.5760 6.6409 6.6409 7.3975 7.3975 8.4005 8.4005 8.4586 8.4586 9.4707 9.4707 9.5305 9.5305 9.5399 9.5399 9.8510 9.8510 9.9937 9.9937 10.4487 10.4487 10.4640 10.4640 10.6157 10.6157 10.6217 10.6217 11.5863 11.5863 11.6105 11.6105 15.1820 15.1820 15.5426 15.5426 k = 0.2500 0.1104 1.2373 ( 8084 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0424 -46.0424 -46.0423 -46.0423 -44.3308 -44.3308 -44.3302 -44.3302 -44.2833 -44.2833 -44.2826 -44.2826 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3560 0.3560 1.0298 1.0298 6.5760 6.5760 6.6409 6.6409 7.3975 7.3975 8.4005 8.4005 8.4586 8.4586 9.4707 9.4707 9.5305 9.5305 9.5399 9.5399 9.8510 9.8510 9.9937 9.9937 10.4487 10.4487 10.4640 10.4640 10.6157 10.6157 10.6217 10.6217 11.5863 11.5863 11.6105 11.6105 15.1820 15.1820 15.5426 15.5426 k = 0.2679 0.1183 1.2287 ( 8084 PWs) bands (ev): -80.3592 -80.3592 -80.3590 -80.3590 -46.0424 -46.0424 -46.0423 -46.0423 -44.3308 -44.3308 -44.3302 -44.3302 -44.2834 -44.2834 -44.2826 -44.2826 -16.2057 -16.2057 -3.2957 -3.2957 -1.6353 -1.6353 -1.0666 -1.0666 0.3563 0.3563 1.0297 1.0297 6.5643 6.5643 6.6544 6.6544 7.3977 7.3977 8.3726 8.3726 8.4853 8.4853 9.4707 9.4707 9.5276 9.5276 9.5429 9.5429 9.8461 9.8461 9.9981 9.9981 10.4419 10.4419 10.4719 10.4719 10.6157 10.6157 10.6219 10.6219 11.5839 11.5839 11.6131 11.6131 15.1480 15.1480 15.5786 15.5786 k = 0.2857 0.1262 1.2200 ( 8080 PWs) bands (ev): -80.3594 -80.3594 -80.3588 -80.3588 -46.0424 -46.0424 -46.0423 -46.0423 -44.3307 -44.3307 -44.3302 -44.3302 -44.2834 -44.2834 -44.2825 -44.2825 -16.2057 -16.2057 -3.2957 -3.2957 -1.6354 -1.6354 -1.0667 -1.0667 0.3570 0.3570 1.0292 1.0292 6.5420 6.5420 6.6824 6.6824 7.3980 7.3980 8.3266 8.3266 8.5274 8.5274 9.4706 9.4706 9.5216 9.5216 9.5485 9.5485 9.8334 9.8334 10.0100 10.0100 10.4315 10.4315 10.4858 10.4858 10.6163 10.6163 10.6229 10.6229 11.5792 11.5792 11.6182 11.6182 15.0710 15.0710 15.6578 15.6578 k = 0.3036 0.1341 1.2114 ( 8085 PWs) bands (ev): -80.3595 -80.3595 -80.3587 -80.3587 -46.0425 -46.0425 -46.0422 -46.0422 -44.3307 -44.3307 -44.3303 -44.3303 -44.2835 -44.2835 -44.2825 -44.2825 -16.2058 -16.2058 -3.2956 -3.2956 -1.6355 -1.6355 -1.0671 -1.0671 0.3583 0.3583 1.0284 1.0284 6.5187 6.5187 6.7151 6.7151 7.3983 7.3983 8.2781 8.2781 8.5696 8.5696 9.4696 9.4696 9.5157 9.5157 9.5543 9.5543 9.8160 9.8160 10.0263 10.0263 10.4209 10.4209 10.5012 10.5012 10.6163 10.6163 10.6236 10.6236 11.5730 11.5730 11.6235 11.6235 14.9810 14.9810 15.7148 15.7148 k = 0.3214 0.1420 1.2028 ( 8093 PWs) bands (ev): -80.3595 -80.3595 -80.3590 -80.3590 -46.0425 -46.0425 -46.0423 -46.0423 -44.3307 -44.3307 -44.3303 -44.3303 -44.2835 -44.2835 -44.2826 -44.2826 -16.2059 -16.2059 -3.2956 -3.2956 -1.6358 -1.6358 -1.0675 -1.0675 0.3602 0.3602 1.0272 1.0272 6.4971 6.4971 6.7501 6.7501 7.3988 7.3988 8.2292 8.2292 8.6096 8.6096 9.4667 9.4667 9.5105 9.5105 9.5604 9.5604 9.7968 9.7968 10.0443 10.0443 10.4107 10.4107 10.5175 10.5175 10.6156 10.6156 10.6249 10.6249 11.5662 11.5662 11.6290 11.6290 14.8905 14.8905 15.7100 15.7100 k = 0.3393 0.1499 1.1942 ( 8091 PWs) bands (ev): -80.3594 -80.3594 -80.3591 -80.3591 -46.0425 -46.0425 -46.0423 -46.0423 -44.3307 -44.3307 -44.3302 -44.3302 -44.2835 -44.2835 -44.2826 -44.2826 -16.2060 -16.2060 -3.2954 -3.2954 -1.6361 -1.6361 -1.0681 -1.0681 0.3626 0.3626 1.0256 1.0256 6.4782 6.4782 6.7862 6.7862 7.3992 7.3992 8.1810 8.1810 8.6466 8.6466 9.4616 9.4616 9.5072 9.5072 9.5664 9.5664 9.7780 9.7780 10.0626 10.0626 10.4017 10.4017 10.5331 10.5331 10.6156 10.6156 10.6273 10.6273 11.5602 11.5602 11.6343 11.6343 14.8055 14.8055 15.6929 15.6929 k = 0.3571 0.1578 1.1855 ( 8091 PWs) bands (ev): -80.3594 -80.3594 -80.3591 -80.3591 -46.0425 -46.0425 -46.0423 -46.0423 -44.3307 -44.3307 -44.3303 -44.3303 -44.2835 -44.2835 -44.2826 -44.2826 -16.2062 -16.2062 -3.2953 -3.2953 -1.6365 -1.6365 -1.0688 -1.0688 0.3656 0.3656 1.0235 1.0235 6.4623 6.4623 6.8228 6.8228 7.3998 7.3998 8.1342 8.1342 8.6801 8.6801 9.4541 9.4541 9.5056 9.5056 9.5720 9.5720 9.7606 9.7606 10.0801 10.0801 10.3938 10.3938 10.5469 10.5469 10.6156 10.6156 10.6300 10.6300 11.5548 11.5548 11.6394 11.6394 14.7287 14.7287 15.6765 15.6765 k = 0.3750 0.1657 1.1769 ( 8084 PWs) bands (ev): -80.3592 -80.3592 -80.3590 -80.3590 -46.0424 -46.0424 -46.0422 -46.0422 -44.3306 -44.3306 -44.3303 -44.3303 -44.2835 -44.2835 -44.2826 -44.2826 -16.2064 -16.2064 -3.2952 -3.2952 -1.6369 -1.6369 -1.0696 -1.0696 0.3692 0.3692 1.0209 1.0209 6.4498 6.4498 6.8591 6.8591 7.4004 7.4004 8.0896 8.0896 8.7099 8.7099 9.4450 9.4450 9.5052 9.5052 9.5777 9.5777 9.7455 9.7455 10.0959 10.0959 10.3866 10.3866 10.5595 10.5595 10.6151 10.6151 10.6334 10.6334 11.5505 11.5505 11.6440 11.6440 14.6620 14.6620 15.6631 15.6631 k = 0.3929 0.1736 1.1683 ( 8076 PWs) bands (ev): -80.3592 -80.3592 -80.3588 -80.3588 -46.0425 -46.0425 -46.0421 -46.0421 -44.3305 -44.3305 -44.3303 -44.3303 -44.2835 -44.2835 -44.2826 -44.2826 -16.2067 -16.2067 -3.2950 -3.2950 -1.6373 -1.6373 -1.0706 -1.0706 0.3734 0.3734 1.0179 1.0179 6.4408 6.4408 6.8944 6.8944 7.4012 7.4012 8.0481 8.0481 8.7353 8.7353 9.4340 9.4340 9.5054 9.5054 9.5825 9.5825 9.7330 9.7330 10.1096 10.1096 10.3811 10.3811 10.5696 10.5696 10.6159 10.6159 10.6370 10.6370 11.5477 11.5477 11.6476 11.6476 14.6057 14.6057 15.6539 15.6539 k = 0.4107 0.1814 1.1597 ( 8070 PWs) bands (ev): -80.3591 -80.3591 -80.3587 -80.3587 -46.0425 -46.0425 -46.0421 -46.0421 -44.3304 -44.3304 -44.3303 -44.3303 -44.2835 -44.2835 -44.2826 -44.2826 -16.2070 -16.2070 -3.2948 -3.2948 -1.6379 -1.6379 -1.0717 -1.0717 0.3781 0.3781 1.0144 1.0144 6.4351 6.4351 6.9279 6.9279 7.4020 7.4020 8.0105 8.0105 8.7562 8.7562 9.4220 9.4220 9.5057 9.5057 9.5869 9.5869 9.7239 9.7239 10.1207 10.1207 10.3769 10.3769 10.5774 10.5774 10.6160 10.6160 10.6410 10.6410 11.5455 11.5455 11.6507 11.6507 14.5606 14.5606 15.6493 15.6493 k = 0.4286 0.1893 1.1510 ( 8072 PWs) bands (ev): -80.3592 -80.3592 -80.3587 -80.3587 -46.0425 -46.0425 -46.0420 -46.0420 -44.3303 -44.3303 -44.3303 -44.3303 -44.2836 -44.2836 -44.2826 -44.2826 -16.2073 -16.2073 -3.2946 -3.2946 -1.6384 -1.6384 -1.0730 -1.0730 0.3835 0.3835 1.0105 1.0105 6.4330 6.4330 6.9584 6.9584 7.4031 7.4031 7.9779 7.9779 8.7722 8.7722 9.4093 9.4093 9.5058 9.5058 9.5907 9.5907 9.7176 9.7176 10.1289 10.1289 10.3735 10.3735 10.5829 10.5829 10.6159 10.6159 10.6443 10.6443 11.5440 11.5440 11.6529 11.6529 14.5270 14.5270 15.6497 15.6497 k = 0.4464 0.1972 1.1424 ( 8070 PWs) bands (ev): -80.3591 -80.3591 -80.3587 -80.3587 -46.0425 -46.0425 -46.0420 -46.0420 -44.3303 -44.3303 -44.3302 -44.3302 -44.2836 -44.2836 -44.2826 -44.2826 -16.2076 -16.2076 -3.2943 -3.2943 -1.6390 -1.6390 -1.0743 -1.0743 0.3893 0.3893 1.0061 1.0061 6.4342 6.4342 6.9851 6.9851 7.4044 7.4044 7.9514 7.9514 8.7832 8.7832 9.3961 9.3961 9.5053 9.5053 9.5951 9.5951 9.7146 9.7146 10.1337 10.1337 10.3710 10.3710 10.5872 10.5872 10.6160 10.6160 10.6477 10.6477 11.5439 11.5439 11.6549 11.6549 14.5042 14.5042 15.6554 15.6554 k = 0.4643 0.2051 1.1338 ( 8071 PWs) bands (ev): -80.3592 -80.3592 -80.3586 -80.3586 -46.0426 -46.0426 -46.0419 -46.0419 -44.3304 -44.3304 -44.3301 -44.3301 -44.2837 -44.2837 -44.2826 -44.2826 -16.2080 -16.2080 -3.2940 -3.2940 -1.6397 -1.6397 -1.0758 -1.0758 0.3957 0.3957 1.0014 1.0014 6.4387 6.4387 7.0067 7.0067 7.4061 7.4061 7.9320 7.9320 8.7887 8.7887 9.3834 9.3834 9.5046 9.5046 9.5983 9.5983 9.7145 9.7145 10.1350 10.1350 10.3702 10.3702 10.5899 10.5899 10.6164 10.6164 10.6502 10.6502 11.5452 11.5452 11.6559 11.6559 14.4921 14.4921 15.6665 15.6665 k = 0.4821 0.2130 1.1252 ( 8076 PWs) bands (ev): -80.3591 -80.3591 -80.3589 -80.3589 -46.0426 -46.0426 -46.0420 -46.0420 -44.3304 -44.3304 -44.3300 -44.3300 -44.2838 -44.2838 -44.2826 -44.2826 -16.2084 -16.2084 -3.2937 -3.2937 -1.6404 -1.6404 -1.0774 -1.0774 0.4025 0.4025 0.9963 0.9963 6.4462 6.4462 7.0222 7.0222 7.4081 7.4081 7.9208 7.9208 8.7887 8.7887 9.3708 9.3708 9.5026 9.5026 9.6018 9.6018 9.7171 9.7171 10.1325 10.1325 10.3699 10.3699 10.5924 10.5924 10.6163 10.6163 10.6528 10.6528 11.5481 11.5481 11.6568 11.6568 14.4890 14.4890 15.6828 15.6828 k = 0.5000 0.2209 1.1165 ( 8072 PWs) bands (ev): -80.3590 -80.3590 -80.3589 -80.3589 -46.0426 -46.0426 -46.0419 -46.0419 -44.3304 -44.3304 -44.3299 -44.3299 -44.2838 -44.2838 -44.2827 -44.2827 -16.2088 -16.2088 -3.2934 -3.2934 -1.6411 -1.6411 -1.0791 -1.0791 0.4097 0.4097 0.9910 0.9910 6.4566 6.4566 7.0310 7.0310 7.4109 7.4109 7.9183 7.9183 8.7832 8.7832 9.3596 9.3596 9.5012 9.5012 9.6050 9.6050 9.7222 9.7222 10.1263 10.1263 10.3706 10.3706 10.5946 10.5946 10.6169 10.6169 10.6554 10.6554 11.5533 11.5533 11.6567 11.6567 14.4952 14.4952 15.7039 15.7039 k = 0.5000 0.2209 1.1165 ( 8072 PWs) bands (ev): -80.3590 -80.3590 -80.3589 -80.3589 -46.0426 -46.0426 -46.0419 -46.0419 -44.3304 -44.3304 -44.3299 -44.3299 -44.2838 -44.2838 -44.2827 -44.2827 -16.2088 -16.2088 -3.2934 -3.2934 -1.6411 -1.6411 -1.0791 -1.0791 0.4097 0.4097 0.9910 0.9910 6.4566 6.4566 7.0310 7.0310 7.4109 7.4109 7.9183 7.9183 8.7832 8.7832 9.3596 9.3596 9.5012 9.5012 9.6050 9.6050 9.7222 9.7222 10.1263 10.1263 10.3706 10.3706 10.5946 10.5946 10.6169 10.6169 10.6554 10.6554 11.5533 11.5533 11.6567 11.6567 14.4952 14.4952 15.7039 15.7039 k = 0.5000 0.2209 1.0947 ( 8076 PWs) bands (ev): -80.3591 -80.3591 -80.3589 -80.3589 -46.0428 -46.0428 -46.0418 -46.0418 -44.3305 -44.3305 -44.3297 -44.3297 -44.2840 -44.2840 -44.2827 -44.2827 -16.2101 -16.2101 -3.2924 -3.2924 -1.6430 -1.6430 -1.0839 -1.0839 0.4300 0.4300 0.9762 0.9762 6.4887 6.4887 7.0455 7.0455 7.4194 7.4194 7.9238 7.9238 8.7601 8.7601 9.3304 9.3304 9.4978 9.4978 9.6126 9.6126 9.7371 9.7371 10.1050 10.1050 10.3733 10.3733 10.5988 10.5988 10.6200 10.6200 10.6619 10.6619 11.5696 11.5696 11.6562 11.6562 14.5214 14.5214 15.7674 15.7674 k = 0.5000 0.2209 1.0728 ( 8068 PWs) bands (ev): -80.3590 -80.3590 -80.3588 -80.3588 -46.0429 -46.0429 -46.0416 -46.0416 -44.3305 -44.3305 -44.3293 -44.3293 -44.2842 -44.2842 -44.2827 -44.2827 -16.2116 -16.2116 -3.2913 -3.2913 -1.6451 -1.6451 -1.0894 -1.0894 0.4529 0.4529 0.9596 0.9596 6.5254 6.5254 7.0624 7.0624 7.4293 7.4293 7.9301 7.9301 8.7336 8.7336 9.2983 9.2983 9.4948 9.4948 9.6216 9.6216 9.7513 9.7513 10.0837 10.0837 10.3767 10.3767 10.6016 10.6016 10.6268 10.6268 10.6704 10.6704 11.5887 11.5887 11.6558 11.6558 14.5472 14.5472 15.8396 15.8396 k = 0.5000 0.2209 1.0509 ( 8072 PWs) bands (ev): -80.3592 -80.3592 -80.3587 -80.3587 -46.0430 -46.0430 -46.0415 -46.0415 -44.3307 -44.3307 -44.3289 -44.3289 -44.2845 -44.2845 -44.2828 -44.2828 -16.2132 -16.2132 -3.2899 -3.2899 -1.6471 -1.6471 -1.0955 -1.0955 0.4779 0.4779 0.9416 0.9416 6.5660 6.5660 7.0816 7.0816 7.4405 7.4405 7.9372 7.9372 8.7040 8.7040 9.2633 9.2633 9.4918 9.4918 9.6316 9.6316 9.7639 9.7639 10.0635 10.0635 10.3801 10.3801 10.6020 10.6020 10.6367 10.6367 10.6802 10.6802 11.6084 11.6084 11.6552 11.6552 14.5698 14.5698 15.9128 15.9128 k = 0.5000 0.2209 1.0290 ( 8064 PWs) bands (ev): -80.3592 -80.3592 -80.3585 -80.3585 -46.0432 -46.0432 -46.0413 -46.0413 -44.3308 -44.3308 -44.3284 -44.3284 -44.2847 -44.2847 -44.2828 -44.2828 -16.2151 -16.2151 -3.2883 -3.2883 -1.6490 -1.6490 -1.1022 -1.1022 0.5048 0.5048 0.9223 0.9223 6.6103 6.6103 7.1031 7.1031 7.4530 7.4530 7.9450 7.9450 8.6716 8.6716 9.2261 9.2261 9.4897 9.4897 9.6429 9.6429 9.7736 9.7736 10.0466 10.0466 10.3841 10.3841 10.6011 10.6011 10.6496 10.6496 10.6923 10.6923 11.6303 11.6303 11.6554 11.6554 14.5867 14.5867 15.8701 15.8701 k = 0.5000 0.2209 1.0071 ( 8068 PWs) bands (ev): -80.3595 -80.3595 -80.3583 -80.3583 -46.0433 -46.0433 -46.0411 -46.0411 -44.3309 -44.3309 -44.3279 -44.3279 -44.2850 -44.2850 -44.2830 -44.2830 -16.2171 -16.2171 -3.2865 -3.2865 -1.6506 -1.6506 -1.1095 -1.1095 0.5331 0.5331 0.9022 0.9022 6.6577 6.6577 7.1269 7.1269 7.4667 7.4667 7.9534 7.9534 8.6367 8.6367 9.1860 9.1860 9.4874 9.4874 9.6557 9.6557 9.7790 9.7790 10.0344 10.0344 10.3875 10.3875 10.5994 10.5994 10.6640 10.6640 10.7061 10.7061 11.6480 11.6480 11.6609 11.6609 14.5941 14.5941 15.8087 15.8087 k = 0.5000 0.2209 0.9852 ( 8068 PWs) bands (ev): -80.3595 -80.3595 -80.3583 -80.3583 -46.0436 -46.0436 -46.0408 -46.0408 -44.3311 -44.3311 -44.3273 -44.3273 -44.2854 -44.2854 -44.2830 -44.2830 -16.2193 -16.2193 -3.2845 -3.2845 -1.6520 -1.6520 -1.1174 -1.1174 0.5623 0.5623 0.8816 0.8816 6.7077 6.7077 7.1528 7.1528 7.4815 7.4815 7.9625 7.9625 8.5998 8.5998 9.1446 9.1446 9.4858 9.4858 9.6692 9.6692 9.7788 9.7788 10.0290 10.0290 10.3920 10.3920 10.5975 10.5975 10.6802 10.6802 10.7219 10.7219 11.6505 11.6505 11.6830 11.6830 14.5901 14.5901 15.7428 15.7428 k = 0.5000 0.2209 0.9633 ( 8068 PWs) bands (ev): -80.3596 -80.3596 -80.3583 -80.3583 -46.0438 -46.0438 -46.0406 -46.0406 -44.3312 -44.3312 -44.3267 -44.3267 -44.2857 -44.2857 -44.2831 -44.2831 -16.2217 -16.2217 -3.2822 -3.2822 -1.6529 -1.6529 -1.1257 -1.1257 0.5921 0.5921 0.8608 0.8608 6.7599 6.7599 7.1809 7.1809 7.4974 7.4974 7.9721 7.9721 8.5613 8.5613 9.1012 9.1012 9.4848 9.4848 9.6835 9.6835 9.7726 9.7726 10.0310 10.0310 10.3969 10.3969 10.5954 10.5954 10.6981 10.6981 10.7406 10.7406 11.6500 11.6500 11.7097 11.7097 14.5721 14.5721 15.6731 15.6731 k = 0.5000 0.2209 0.9414 ( 8068 PWs) bands (ev): -80.3596 -80.3596 -80.3583 -80.3583 -46.0441 -46.0441 -46.0403 -46.0403 -44.3315 -44.3315 -44.3260 -44.3260 -44.2861 -44.2861 -44.2832 -44.2832 -16.2243 -16.2243 -3.2796 -3.2796 -1.6533 -1.6533 -1.1346 -1.1346 0.6218 0.6218 0.8405 0.8405 6.8136 6.8136 7.2111 7.2111 7.5140 7.5140 7.9822 7.9822 8.5217 8.5217 9.0566 9.0566 9.4845 9.4845 9.6982 9.6982 9.7613 9.7613 10.0399 10.0399 10.4026 10.4026 10.5932 10.5932 10.7172 10.7172 10.7616 10.7616 11.6489 11.6489 11.7389 11.7389 14.5391 14.5391 15.5995 15.5995 k = 0.5000 0.2209 0.9195 ( 8076 PWs) bands (ev): -80.3599 -80.3599 -80.3582 -80.3582 -46.0443 -46.0443 -46.0401 -46.0401 -44.3317 -44.3317 -44.3253 -44.3253 -44.2865 -44.2865 -44.2833 -44.2833 -16.2270 -16.2270 -3.2767 -3.2767 -1.6532 -1.6532 -1.1441 -1.1441 0.6505 0.6505 0.8212 0.8212 6.8680 6.8680 7.2433 7.2433 7.5314 7.5314 7.9927 7.9927 8.4817 8.4817 9.0111 9.0111 9.4847 9.4847 9.7117 9.7117 9.7473 9.7473 10.0547 10.0547 10.4082 10.4082 10.5905 10.5905 10.7376 10.7376 10.7858 10.7858 11.6475 11.6475 11.7688 11.7688 14.4908 14.4908 15.5227 15.5227 k = 0.5000 0.2209 0.8976 ( 8074 PWs) bands (ev): -80.3601 -80.3601 -80.3580 -80.3580 -46.0446 -46.0446 -46.0398 -46.0398 -44.3319 -44.3319 -44.3246 -44.3246 -44.2868 -44.2868 -44.2834 -44.2834 -16.2299 -16.2299 -3.2735 -3.2735 -1.6524 -1.6524 -1.1540 -1.1540 0.6768 0.6768 0.8045 0.8045 6.9230 6.9230 7.2775 7.2775 7.5493 7.5493 8.0037 8.0037 8.4417 8.4417 8.9652 8.9652 9.4858 9.4858 9.7136 9.7136 9.7437 9.7437 10.0739 10.0739 10.4146 10.4146 10.5881 10.5881 10.7601 10.7601 10.8124 10.8124 11.6462 11.6462 11.8014 11.8014 14.4288 14.4288 15.4427 15.4427 k = 0.5000 0.2209 0.8757 ( 8076 PWs) bands (ev): -80.3602 -80.3602 -80.3580 -80.3580 -46.0449 -46.0449 -46.0394 -46.0394 -44.3322 -44.3322 -44.3238 -44.3238 -44.2873 -44.2873 -44.2836 -44.2836 -16.2329 -16.2329 -3.2700 -3.2700 -1.6510 -1.6510 -1.1644 -1.1644 0.6978 0.6978 0.7931 0.7931 6.9779 6.9779 7.3136 7.3136 7.5673 7.5673 8.0148 8.0148 8.4026 8.4026 8.9193 8.9193 9.4878 9.4878 9.6968 9.6968 9.7576 9.7576 10.0962 10.0962 10.4214 10.4214 10.5857 10.5857 10.7832 10.7832 10.8417 10.8417 11.6444 11.6444 11.8366 11.8366 14.3551 14.3551 15.3598 15.3598 k = 0.5000 0.2209 0.8538 ( 8080 PWs) bands (ev): -80.3603 -80.3603 -80.3580 -80.3580 -46.0452 -46.0452 -46.0391 -46.0391 -44.3325 -44.3325 -44.3230 -44.3230 -44.2877 -44.2877 -44.2837 -44.2837 -16.2361 -16.2361 -3.2661 -3.2661 -1.6488 -1.6488 -1.1752 -1.1752 0.7079 0.7079 0.7923 0.7923 7.0322 7.0322 7.3515 7.3515 7.5850 7.5850 8.0261 8.0261 8.3652 8.3652 8.8739 8.8739 9.4905 9.4905 9.6756 9.6756 9.7759 9.7759 10.1211 10.1211 10.4287 10.4287 10.5834 10.5834 10.8076 10.8076 10.8729 10.8729 11.6422 11.6422 11.8745 11.8745 14.2722 14.2722 15.2738 15.2738 k = 0.5000 0.2209 0.8319 ( 8076 PWs) bands (ev): -80.3605 -80.3605 -80.3577 -80.3577 -46.0455 -46.0455 -46.0388 -46.0388 -44.3328 -44.3328 -44.3222 -44.3222 -44.2880 -44.2880 -44.2838 -44.2838 -16.2393 -16.2393 -3.2618 -3.2618 -1.6459 -1.6459 -1.1863 -1.1863 0.7051 0.7051 0.8042 0.8042 7.0851 7.0851 7.3911 7.3911 7.6019 7.6019 8.0374 8.0374 8.3303 8.3303 8.8294 8.8294 9.4942 9.4942 9.6531 9.6531 9.7978 9.7978 10.1477 10.1477 10.4361 10.4361 10.5811 10.5811 10.8337 10.8337 10.9064 10.9064 11.6405 11.6405 11.9149 11.9149 14.1826 14.1826 15.1856 15.1856 k = 0.5000 0.2209 0.8100 ( 8080 PWs) bands (ev): -80.3606 -80.3606 -80.3577 -80.3577 -46.0459 -46.0459 -46.0384 -46.0384 -44.3332 -44.3332 -44.3213 -44.3213 -44.2885 -44.2885 -44.2839 -44.2839 -16.2427 -16.2427 -3.2572 -3.2572 -1.6423 -1.6423 -1.1978 -1.1978 0.6948 0.6948 0.8230 0.8230 7.1363 7.1363 7.4323 7.4323 7.6172 7.6172 8.0488 8.0488 8.2989 8.2989 8.7863 8.7863 9.4985 9.4985 9.6301 9.6301 9.8193 9.8193 10.1752 10.1752 10.4447 10.4447 10.5788 10.5788 10.8616 10.8616 10.9409 10.9409 11.6381 11.6381 11.9590 11.9590 14.0891 14.0891 15.0948 15.0948 k = 0.5000 0.2209 0.7882 ( 8064 PWs) bands (ev): -80.3606 -80.3606 -80.3573 -80.3573 -46.0461 -46.0461 -46.0380 -46.0380 -44.3335 -44.3335 -44.3204 -44.3204 -44.2888 -44.2888 -44.2840 -44.2840 -16.2463 -16.2463 -3.2522 -3.2522 -1.6379 -1.6379 -1.2095 -1.2095 0.6821 0.6821 0.8436 0.8436 7.1853 7.1853 7.4748 7.4748 7.6304 7.6304 8.0603 8.0603 8.2722 8.2722 8.7452 8.7452 9.5038 9.5038 9.6076 9.6076 9.8424 9.8424 10.2038 10.2038 10.4544 10.4544 10.5773 10.5773 10.8924 10.8924 10.9775 10.9775 11.6362 11.6362 12.0061 12.0061 13.9939 13.9939 15.0019 15.0019 k = 0.5000 0.2209 0.7663 ( 8056 PWs) bands (ev): -80.3606 -80.3606 -80.3571 -80.3571 -46.0464 -46.0464 -46.0376 -46.0376 -44.3338 -44.3338 -44.3194 -44.3194 -44.2892 -44.2892 -44.2842 -44.2842 -16.2499 -16.2499 -3.2469 -3.2469 -1.6329 -1.6329 -1.2212 -1.2212 0.6692 0.6692 0.8636 0.8636 7.2315 7.2315 7.5184 7.5184 7.6407 7.6407 8.0714 8.0714 8.2516 8.2516 8.7064 8.7064 9.5094 9.5094 9.5859 9.5859 9.8658 9.8658 10.2327 10.2327 10.4641 10.4641 10.5760 10.5760 10.9241 10.9241 11.0151 11.0151 11.6335 11.6335 12.0569 12.0569 13.8990 13.8990 14.9067 14.9067 k = 0.5000 0.2209 0.7444 ( 8048 PWs) bands (ev): -80.3605 -80.3605 -80.3569 -80.3569 -46.0468 -46.0468 -46.0371 -46.0371 -44.3342 -44.3342 -44.3184 -44.3184 -44.2896 -44.2896 -44.2842 -44.2842 -16.2536 -16.2536 -3.2412 -3.2412 -1.6273 -1.6273 -1.2329 -1.2329 0.6568 0.6568 0.8820 0.8820 7.2743 7.2743 7.5621 7.5621 7.6480 7.6480 8.0822 8.0822 8.2380 8.2380 8.6702 8.6702 9.5138 9.5138 9.5663 9.5663 9.8898 9.8898 10.2619 10.2619 10.4751 10.4751 10.5755 10.5755 10.9576 10.9576 11.0526 11.0526 11.6307 11.6307 12.1111 12.1111 13.8063 13.8063 14.8095 14.8095 k = 0.5000 0.2209 0.7225 ( 8054 PWs) bands (ev): -80.3608 -80.3608 -80.3568 -80.3568 -46.0471 -46.0471 -46.0368 -46.0368 -44.3346 -44.3346 -44.3175 -44.3175 -44.2900 -44.2900 -44.2844 -44.2844 -16.2573 -16.2573 -3.2351 -3.2351 -1.6212 -1.6212 -1.2443 -1.2443 0.6454 0.6454 0.8982 0.8982 7.3135 7.3135 7.6017 7.6017 7.6557 7.6557 8.0925 8.0925 8.2326 8.2326 8.6367 8.6367 9.5125 9.5125 9.5522 9.5522 9.9144 9.9144 10.2904 10.2904 10.4855 10.4855 10.5753 10.5753 10.9928 10.9928 11.0899 11.0899 11.6279 11.6279 12.1685 12.1685 13.7176 13.7176 14.7104 14.7104 k = 0.5000 0.2209 0.7006 ( 8046 PWs) bands (ev): -80.3609 -80.3609 -80.3565 -80.3565 -46.0475 -46.0475 -46.0364 -46.0364 -44.3351 -44.3351 -44.3165 -44.3165 -44.2904 -44.2904 -44.2845 -44.2845 -16.2612 -16.2612 -3.2287 -3.2287 -1.6147 -1.6147 -1.2553 -1.2553 0.6352 0.6352 0.9117 0.9117 7.3488 7.3488 7.6209 7.6209 7.6799 7.6799 8.1025 8.1025 8.2357 8.2357 8.6066 8.6066 9.5005 9.5005 9.5512 9.5512 9.9396 9.9396 10.3184 10.3184 10.4966 10.4966 10.5765 10.5765 11.0305 11.0305 11.1266 11.1266 11.6250 11.6250 12.2299 12.2299 13.6346 13.6346 14.6097 14.6097 k = 0.5000 0.2209 0.6787 ( 8058 PWs) bands (ev): -80.3613 -80.3613 -80.3564 -80.3564 -46.0478 -46.0478 -46.0360 -46.0360 -44.3355 -44.3355 -44.3156 -44.3156 -44.2907 -44.2907 -44.2847 -44.2847 -16.2651 -16.2651 -3.2220 -3.2220 -1.6079 -1.6079 -1.2655 -1.2655 0.6263 0.6263 0.9225 0.9225 7.3798 7.3798 7.6171 7.6171 7.7230 7.7230 8.1119 8.1119 8.2470 8.2470 8.5796 8.5796 9.4813 9.4813 9.5577 9.5577 9.9649 9.9649 10.3453 10.3453 10.5063 10.5063 10.5785 10.5785 11.0695 11.0695 11.1612 11.1612 11.6216 11.6216 12.2945 12.2945 13.5588 13.5588 14.5073 14.5073 k = 0.5000 0.2209 0.6568 ( 8066 PWs) bands (ev): -80.3614 -80.3614 -80.3565 -80.3565 -46.0483 -46.0483 -46.0356 -46.0356 -44.3361 -44.3361 -44.3146 -44.3146 -44.2911 -44.2911 -44.2848 -44.2848 -16.2690 -16.2690 -3.2150 -3.2150 -1.6011 -1.6011 -1.2747 -1.2747 0.6187 0.6187 0.9301 0.9301 7.4067 7.4067 7.6036 7.6036 7.7721 7.7721 8.1210 8.1210 8.2660 8.2660 8.5562 8.5562 9.4605 9.4605 9.5674 9.5674 9.9902 9.9902 10.3712 10.3712 10.5171 10.5171 10.5823 10.5823 11.1107 11.1107 11.1929 11.1929 11.6176 11.6176 12.3628 12.3628 13.4918 13.4918 14.4034 14.4034 k = 0.5000 0.2209 0.6349 ( 8068 PWs) bands (ev): -80.3617 -80.3617 -80.3563 -80.3563 -46.0486 -46.0486 -46.0353 -46.0353 -44.3366 -44.3366 -44.3136 -44.3136 -44.2914 -44.2914 -44.2850 -44.2850 -16.2730 -16.2730 -3.2077 -3.2077 -1.5944 -1.5944 -1.2826 -1.2826 0.6122 0.6122 0.9346 0.9346 7.4294 7.4294 7.5852 7.5852 7.8238 7.8238 8.1299 8.1299 8.2917 8.2917 8.5361 8.5361 9.4388 9.4388 9.5790 9.5790 10.0157 10.0157 10.3956 10.3956 10.5278 10.5278 10.5880 10.5880 11.1544 11.1544 11.2218 11.2218 11.6142 11.6142 12.4335 12.4335 13.4351 13.4351 14.2984 14.2984 k = 0.5000 0.2209 0.6130 ( 8070 PWs) bands (ev): -80.3618 -80.3618 -80.3563 -80.3563 -46.0490 -46.0490 -46.0348 -46.0348 -44.3371 -44.3371 -44.3126 -44.3126 -44.2918 -44.2918 -44.2851 -44.2851 -16.2770 -16.2770 -3.2002 -3.2002 -1.5881 -1.5881 -1.2889 -1.2889 0.6069 0.6069 0.9359 0.9359 7.4479 7.4479 7.5636 7.5636 7.8770 7.8770 8.1382 8.1382 8.3231 8.3231 8.5192 8.5192 9.4170 9.4170 9.5920 9.5920 10.0403 10.0403 10.4187 10.4187 10.5391 10.5391 10.5969 10.5969 11.1998 11.1998 11.2462 11.2462 11.6102 11.6102 12.5063 12.5063 13.3901 13.3901 14.1922 14.1922 k = 0.5000 0.2209 0.5911 ( 8060 PWs) bands (ev): -80.3619 -80.3619 -80.3559 -80.3559 -46.0494 -46.0494 -46.0344 -46.0344 -44.3376 -44.3376 -44.3116 -44.3116 -44.2921 -44.2921 -44.2852 -44.2852 -16.2810 -16.2810 -3.1925 -3.1925 -1.5824 -1.5824 -1.2931 -1.2931 0.6027 0.6027 0.9340 0.9340 7.4629 7.4629 7.5399 7.5399 7.9314 7.9314 8.1462 8.1462 8.3590 8.3590 8.5058 8.5058 9.3957 9.3957 9.6066 9.6066 10.0652 10.0652 10.4401 10.4401 10.5501 10.5501 10.6074 10.6074 11.2476 11.2476 11.2661 11.2661 11.6063 11.6063 12.5810 12.5810 13.3581 13.3581 14.0854 14.0854 k = 0.5000 0.2209 0.5692 ( 8056 PWs) bands (ev): -80.3619 -80.3619 -80.3558 -80.3558 -46.0497 -46.0497 -46.0340 -46.0340 -44.3381 -44.3381 -44.3106 -44.3106 -44.2924 -44.2924 -44.2853 -44.2853 -16.2849 -16.2849 -3.1848 -3.1848 -1.5776 -1.5776 -1.2949 -1.2949 0.5992 0.5992 0.9289 0.9289 7.4742 7.4742 7.5150 7.5150 7.9867 7.9867 8.1538 8.1538 8.3980 8.3980 8.4958 8.4958 9.3748 9.3748 9.6218 9.6218 10.0884 10.0884 10.4596 10.4596 10.5619 10.5619 10.6200 10.6200 11.2794 11.2794 11.2980 11.2980 11.6022 11.6022 12.6557 12.6557 13.3401 13.3401 13.9780 13.9780 k = 0.5000 0.2209 0.5473 ( 8072 PWs) bands (ev): -80.3621 -80.3621 -80.3560 -80.3560 -46.0502 -46.0502 -46.0336 -46.0336 -44.3387 -44.3387 -44.3096 -44.3096 -44.2927 -44.2927 -44.2854 -44.2854 -16.2889 -16.2889 -3.1769 -3.1769 -1.5737 -1.5737 -1.2942 -1.2942 0.5964 0.5964 0.9208 0.9208 7.4797 7.4797 7.4923 7.4923 8.0427 8.0427 8.1604 8.1604 8.4366 8.4366 8.4915 8.4915 9.3534 9.3534 9.6380 9.6380 10.1100 10.1100 10.4774 10.4774 10.5742 10.5742 10.6336 10.6336 11.2865 11.2865 11.3489 11.3489 11.5966 11.5966 12.7293 12.7293 13.3367 13.3367 13.8704 13.8704 k = 0.5000 0.2209 0.5254 ( 8076 PWs) bands (ev): -80.3622 -80.3622 -80.3560 -80.3560 -46.0506 -46.0506 -46.0332 -46.0332 -44.3393 -44.3393 -44.3086 -44.3086 -44.2930 -44.2930 -44.2855 -44.2855 -16.2928 -16.2928 -3.1691 -3.1691 -1.5709 -1.5709 -1.2906 -1.2906 0.5940 0.5940 0.9099 0.9099 7.4608 7.4608 7.4916 7.4916 8.0992 8.0992 8.1669 8.1669 8.4593 8.4593 8.5077 8.5077 9.3327 9.3327 9.6553 9.6553 10.1293 10.1293 10.4944 10.4944 10.5876 10.5876 10.6486 10.6486 11.2876 11.2876 11.4029 11.4029 11.5916 11.5916 12.8006 12.8006 13.3483 13.3483 13.7629 13.7629 k = 0.5000 0.2209 0.5035 ( 8072 PWs) bands (ev): -80.3624 -80.3624 -80.3558 -80.3558 -46.0510 -46.0510 -46.0328 -46.0328 -44.3398 -44.3398 -44.3077 -44.3077 -44.2933 -44.2933 -44.2856 -44.2856 -16.2967 -16.2967 -3.1613 -3.1613 -1.5692 -1.5692 -1.2842 -1.2842 0.5917 0.5917 0.8963 0.8963 7.4356 7.4356 7.4958 7.4958 8.1549 8.1549 8.1742 8.1742 8.4606 8.4606 8.5489 8.5489 9.3124 9.3124 9.6734 9.6734 10.1470 10.1470 10.5112 10.5112 10.6021 10.6021 10.6647 10.6647 11.2826 11.2826 11.4592 11.4592 11.5864 11.5864 12.8681 12.8681 13.3745 13.3745 13.6565 13.6565 k = 0.5000 0.2209 0.4816 ( 8072 PWs) bands (ev): -80.3624 -80.3624 -80.3558 -80.3558 -46.0513 -46.0513 -46.0324 -46.0324 -44.3404 -44.3404 -44.3067 -44.3067 -44.2935 -44.2935 -44.2857 -44.2857 -16.3005 -16.3005 -3.1536 -3.1536 -1.5684 -1.5684 -1.2749 -1.2749 0.5890 0.5890 0.8807 0.8807 7.4102 7.4102 7.4992 7.4992 8.1764 8.1764 8.2148 8.2148 8.4577 8.4577 8.5971 8.5971 9.2925 9.2925 9.6923 9.6923 10.1619 10.1619 10.5285 10.5285 10.6173 10.6173 10.6815 10.6815 11.2720 11.2720 11.5172 11.5172 11.5806 11.5806 12.9294 12.9294 13.4128 13.4128 13.5530 13.5530 k = 0.5000 0.2209 0.4598 ( 8092 PWs) bands (ev): -80.3630 -80.3630 -80.3556 -80.3556 -46.0517 -46.0517 -46.0321 -46.0321 -44.3410 -44.3410 -44.3059 -44.3059 -44.2937 -44.2937 -44.2859 -44.2859 -16.3043 -16.3043 -3.1462 -3.1462 -1.5684 -1.5684 -1.2630 -1.2630 0.5855 0.5855 0.8634 0.8634 7.3855 7.3855 7.5018 7.5018 8.1816 8.1816 8.2706 8.2706 8.4548 8.4548 8.6476 8.6476 9.2725 9.2725 9.7114 9.7114 10.1732 10.1732 10.5457 10.5457 10.6320 10.6320 10.6969 10.6969 11.2563 11.2563 11.5742 11.5742 11.5776 11.5776 12.9824 12.9824 13.4234 13.4234 13.4921 13.4921 k = 0.5000 0.2209 0.4379 ( 8096 PWs) bands (ev): -80.3632 -80.3632 -80.3556 -80.3556 -46.0521 -46.0521 -46.0318 -46.0318 -44.3415 -44.3415 -44.3050 -44.3050 -44.2940 -44.2940 -44.2860 -44.2860 -16.3080 -16.3080 -3.1389 -3.1389 -1.5688 -1.5688 -1.2486 -1.2486 0.5806 0.5806 0.8451 0.8451 7.3616 7.3616 7.5042 7.5042 8.1861 8.1861 8.3241 8.3241 8.4545 8.4545 8.6990 8.6990 9.2537 9.2537 9.7311 9.7311 10.1807 10.1807 10.5648 10.5648 10.6478 10.6478 10.7144 10.7144 11.2372 11.2372 11.5686 11.5686 11.6396 11.6396 13.0256 13.0256 13.3317 13.3317 13.5478 13.5478 k = 0.5000 0.2209 0.4160 ( 8096 PWs) bands (ev): -80.3634 -80.3634 -80.3554 -80.3554 -46.0524 -46.0524 -46.0314 -46.0314 -44.3421 -44.3421 -44.3042 -44.3042 -44.2942 -44.2942 -44.2861 -44.2861 -16.3116 -16.3116 -3.1320 -3.1320 -1.5695 -1.5695 -1.2319 -1.2319 0.5734 0.5734 0.8268 0.8268 7.3386 7.3386 7.5068 7.5068 8.1898 8.1898 8.3692 8.3692 8.4624 8.4624 8.7509 8.7509 9.2347 9.2347 9.7516 9.7516 10.1860 10.1860 10.5855 10.5855 10.6638 10.6638 10.7316 10.7316 11.2161 11.2161 11.5624 11.5624 11.7033 11.7033 13.0576 13.0576 13.2308 13.2308 13.6263 13.6263 k = 0.5000 0.2209 0.3941 ( 8094 PWs) bands (ev): -80.3634 -80.3634 -80.3554 -80.3554 -46.0527 -46.0527 -46.0311 -46.0311 -44.3426 -44.3426 -44.3033 -44.3033 -44.2943 -44.2943 -44.2861 -44.2861 -16.3150 -16.3150 -3.1254 -3.1254 -1.5702 -1.5702 -1.2131 -1.2131 0.5632 0.5632 0.8094 0.8094 7.3166 7.3166 7.5097 7.5097 8.1930 8.1930 8.3936 8.3936 8.4905 8.4905 8.8025 8.8025 9.2174 9.2174 9.7722 9.7722 10.1873 10.1873 10.6070 10.6070 10.6802 10.6802 10.7492 10.7492 11.1940 11.1940 11.5558 11.5558 11.7685 11.7685 13.0777 13.0777 13.1306 13.1306 13.7165 13.7165 k = 0.5000 0.2209 0.3722 ( 8096 PWs) bands (ev): -80.3633 -80.3633 -80.3555 -80.3555 -46.0531 -46.0531 -46.0307 -46.0307 -44.3432 -44.3432 -44.3025 -44.3025 -44.2945 -44.2945 -44.2862 -44.2862 -16.3184 -16.3184 -3.1192 -3.1192 -1.5709 -1.5709 -1.1926 -1.1926 0.5490 0.5490 0.7939 0.7939 7.2955 7.2955 7.5134 7.5134 8.1956 8.1956 8.3981 8.3981 8.5375 8.5375 8.8534 8.8534 9.2006 9.2006 9.7928 9.7928 10.1852 10.1852 10.6288 10.6288 10.6974 10.6974 10.7673 10.7673 11.1718 11.1718 11.5481 11.5481 11.8348 11.8348 13.0325 13.0325 13.0856 13.0856 13.8161 13.8161 k = 0.5000 0.2209 0.3503 ( 8096 PWs) bands (ev): -80.3634 -80.3634 -80.3554 -80.3554 -46.0534 -46.0534 -46.0303 -46.0303 -44.3437 -44.3437 -44.3017 -44.3017 -44.2947 -44.2947 -44.2862 -44.2862 -16.3216 -16.3216 -3.1134 -3.1134 -1.5712 -1.5712 -1.1704 -1.1704 0.5304 0.5304 0.7811 0.7811 7.2756 7.2756 7.5178 7.5178 8.1979 8.1979 8.3940 8.3940 8.5920 8.5920 8.9032 8.9032 9.1844 9.1844 9.8129 9.8129 10.1805 10.1805 10.6500 10.6500 10.7154 10.7154 10.7849 10.7849 11.1504 11.1504 11.5407 11.5407 11.9026 11.9026 12.9372 12.9372 13.0823 13.0823 13.9240 13.9240 k = 0.5000 0.2209 0.3284 ( 8092 PWs) bands (ev): -80.3636 -80.3636 -80.3551 -80.3551 -46.0537 -46.0537 -46.0301 -46.0301 -44.3442 -44.3442 -44.3010 -44.3010 -44.2948 -44.2948 -44.2863 -44.2863 -16.3247 -16.3247 -3.1080 -3.1080 -1.5711 -1.5711 -1.1468 -1.1468 0.5070 0.5070 0.7713 0.7713 7.2571 7.2571 7.5233 7.5233 8.1998 8.1998 8.3862 8.3862 8.6489 8.6489 8.9516 8.9516 9.1690 9.1690 9.8324 9.8324 10.1735 10.1735 10.6699 10.6699 10.7348 10.7348 10.8027 10.8027 11.1306 11.1306 11.5333 11.5333 11.9711 11.9711 12.8451 12.8451 13.0691 13.0691 14.0385 14.0385 k = 0.5000 0.2209 0.3065 ( 8100 PWs) bands (ev): -80.3637 -80.3637 -80.3552 -80.3552 -46.0540 -46.0540 -46.0298 -46.0298 -44.3447 -44.3447 -44.3003 -44.3003 -44.2950 -44.2950 -44.2864 -44.2864 -16.3277 -16.3277 -3.1031 -3.1031 -1.5707 -1.5707 -1.1219 -1.1219 0.4792 0.4792 0.7645 0.7645 7.2395 7.2395 7.5297 7.5297 8.2010 8.2010 8.3760 8.3760 8.7064 8.7064 8.9978 8.9978 9.1547 9.1547 9.8507 9.8507 10.1634 10.1634 10.6874 10.6874 10.7557 10.7557 10.8212 10.8212 11.1134 11.1134 11.5244 11.5244 12.0395 12.0395 12.7564 12.7564 13.0475 13.0475 14.1576 14.1576 k = 0.5000 0.2209 0.2846 ( 8106 PWs) bands (ev): -80.3640 -80.3640 -80.3551 -80.3551 -46.0543 -46.0543 -46.0296 -46.0296 -44.3452 -44.3452 -44.2997 -44.2997 -44.2950 -44.2950 -44.2865 -44.2865 -16.3305 -16.3305 -3.0987 -3.0987 -1.5698 -1.5698 -1.0960 -1.0960 0.4477 0.4477 0.7603 0.7603 7.2231 7.2231 7.5375 7.5375 8.2022 8.2022 8.3646 8.3646 8.7636 8.7636 9.0413 9.0413 9.1418 9.1418 9.8677 9.8677 10.1510 10.1510 10.7028 10.7028 10.7768 10.7768 10.8398 10.8398 11.0990 11.0990 11.5153 11.5153 12.1086 12.1086 12.6718 12.6718 13.0205 13.0205 14.2791 14.2791 k = 0.5000 0.2209 0.2627 ( 8094 PWs) bands (ev): -80.3639 -80.3639 -80.3549 -80.3549 -46.0545 -46.0545 -46.0292 -46.0292 -44.3456 -44.3456 -44.2991 -44.2991 -44.2951 -44.2951 -44.2864 -44.2864 -16.3331 -16.3331 -3.0948 -3.0948 -1.5685 -1.5685 -1.0692 -1.0692 0.4133 0.4133 0.7582 0.7582 7.2079 7.2079 7.5464 7.5464 8.2031 8.2031 8.3520 8.3520 8.8203 8.8203 9.0797 9.0797 9.1337 9.1337 9.8832 9.8832 10.1363 10.1363 10.7166 10.7166 10.7980 10.7980 10.8607 10.8607 11.0894 11.0894 11.5059 11.5059 12.1773 12.1773 12.5915 12.5915 12.9895 12.9895 14.4002 14.4002 k = 0.5000 0.2209 0.2408 ( 8082 PWs) bands (ev): -80.3637 -80.3637 -80.3547 -80.3547 -46.0547 -46.0547 -46.0289 -46.0289 -44.3459 -44.3459 -44.2984 -44.2984 -44.2952 -44.2952 -44.2864 -44.2864 -16.3355 -16.3355 -3.0913 -3.0913 -1.5669 -1.5669 -1.0418 -1.0418 0.3768 0.3768 0.7576 0.7576 7.1940 7.1940 7.5562 7.5562 8.2036 8.2036 8.3383 8.3383 8.8759 8.8759 9.0993 9.0993 9.1429 9.1429 9.8968 9.8968 10.1199 10.1199 10.7286 10.7286 10.8182 10.8182 10.8841 10.8841 11.0837 11.0837 11.4954 11.4954 12.2449 12.2449 12.5163 12.5163 12.9558 12.9558 14.5162 14.5162 k = 0.5000 0.2209 0.2189 ( 8090 PWs) bands (ev): -80.3641 -80.3641 -80.3545 -80.3545 -46.0549 -46.0549 -46.0288 -46.0288 -44.3463 -44.3463 -44.2980 -44.2980 -44.2952 -44.2952 -44.2865 -44.2865 -16.3378 -16.3378 -3.0882 -3.0882 -1.5650 -1.5650 -1.0140 -1.0140 0.3392 0.3392 0.7580 0.7580 7.1814 7.1814 7.5668 7.5668 8.2038 8.2038 8.3238 8.3238 8.9297 8.9297 9.0951 9.0951 9.1737 9.1737 9.9084 9.9084 10.1012 10.1012 10.7383 10.7383 10.8343 10.8343 10.9079 10.9079 11.0817 11.0817 11.4834 11.4834 12.3104 12.3104 12.4465 12.4465 12.9212 12.9212 14.6210 14.6210 k = 0.5000 0.2209 0.1970 ( 8098 PWs) bands (ev): -80.3642 -80.3642 -80.3547 -80.3547 -46.0551 -46.0551 -46.0286 -46.0286 -44.3467 -44.3467 -44.2976 -44.2976 -44.2954 -44.2954 -44.2865 -44.2865 -16.3399 -16.3399 -3.0856 -3.0856 -1.5629 -1.5629 -0.9862 -0.9862 0.3013 0.3013 0.7592 0.7592 7.1697 7.1697 7.5782 7.5782 8.2033 8.2033 8.3088 8.3088 8.9814 8.9814 9.0868 9.0868 9.2079 9.2079 9.9175 9.9175 10.0809 10.0809 10.7472 10.7472 10.8490 10.8490 10.9336 10.9336 11.0837 11.0837 11.4701 11.4701 12.3653 12.3653 12.3903 12.3903 12.8868 12.8868 14.7052 14.7052 k = 0.5000 0.2209 0.1751 ( 8090 PWs) bands (ev): -80.3643 -80.3643 -80.3544 -80.3544 -46.0552 -46.0552 -46.0284 -46.0284 -44.3470 -44.3470 -44.2972 -44.2972 -44.2954 -44.2954 -44.2865 -44.2865 -16.3417 -16.3417 -3.0833 -3.0833 -1.5606 -1.5606 -0.9587 -0.9587 0.2638 0.2638 0.7608 0.7608 7.1596 7.1596 7.5900 7.5900 8.2029 8.2029 8.2940 8.2940 9.0301 9.0301 9.0790 9.0790 9.2412 9.2412 9.9249 9.9249 10.0597 10.0597 10.7550 10.7550 10.8610 10.8610 10.9599 10.9599 11.0900 11.0900 11.4558 11.4558 12.3208 12.3208 12.4370 12.4370 12.8543 12.8543 14.7620 14.7620 k = 0.5000 0.2209 0.1533 ( 8088 PWs) bands (ev): -80.3642 -80.3642 -80.3545 -80.3545 -46.0554 -46.0554 -46.0282 -46.0282 -44.3473 -44.3473 -44.2968 -44.2968 -44.2955 -44.2955 -44.2864 -44.2864 -16.3434 -16.3434 -3.0814 -3.0814 -1.5584 -1.5584 -0.9320 -0.9320 0.2275 0.2275 0.7626 0.7626 7.1504 7.1504 7.6019 7.6019 8.2017 8.2017 8.2796 8.2796 9.0667 9.0667 9.0809 9.0809 9.2728 9.2728 9.9299 9.9299 10.0373 10.0373 10.7622 10.7622 10.8721 10.8721 10.9857 10.9857 11.0996 11.0996 11.4402 11.4402 12.2691 12.2691 12.4925 12.4925 12.8242 12.8242 14.7871 14.7871 k = 0.5000 0.2209 0.1314 ( 8108 PWs) bands (ev): -80.3646 -80.3646 -80.3547 -80.3547 -46.0556 -46.0556 -46.0282 -46.0282 -44.3476 -44.3476 -44.2966 -44.2966 -44.2955 -44.2955 -44.2865 -44.2865 -16.3448 -16.3448 -3.0799 -3.0799 -1.5562 -1.5562 -0.9067 -0.9067 0.1933 0.1933 0.7645 0.7645 7.1423 7.1423 7.6136 7.6136 8.1999 8.1999 8.2662 8.2662 9.0622 9.0622 9.1188 9.1188 9.3021 9.3021 9.9329 9.9329 10.0143 10.0143 10.7678 10.7678 10.8801 10.8801 11.0096 11.0096 11.1114 11.1114 11.4229 11.4229 12.2235 12.2235 12.5431 12.5431 12.7974 12.7974 14.7864 14.7864 k = 0.5000 0.2209 0.1095 ( 8114 PWs) bands (ev): -80.3646 -80.3646 -80.3549 -80.3549 -46.0558 -46.0558 -46.0281 -46.0281 -44.3478 -44.3478 -44.2964 -44.2964 -44.2956 -44.2956 -44.2864 -44.2864 -16.3461 -16.3461 -3.0786 -3.0786 -1.5542 -1.5542 -0.8834 -0.8834 0.1621 0.1621 0.7662 0.7662 7.1356 7.1356 7.6247 7.6247 8.1972 8.1972 8.2545 8.2545 9.0565 9.0565 9.1549 9.1549 9.3296 9.3296 9.9348 9.9348 9.9915 9.9915 10.7730 10.7730 10.8878 10.8878 11.0311 11.0311 11.1270 11.1270 11.4047 11.4047 12.1846 12.1846 12.5870 12.5870 12.7749 12.7749 14.7706 14.7706 k = 0.5000 0.2209 0.0876 ( 8120 PWs) bands (ev): -80.3646 -80.3646 -80.3551 -80.3551 -46.0560 -46.0560 -46.0280 -46.0280 -44.3480 -44.3480 -44.2961 -44.2961 -44.2958 -44.2958 -44.2864 -44.2864 -16.3471 -16.3471 -3.0776 -3.0776 -1.5524 -1.5524 -0.8627 -0.8627 0.1348 0.1348 0.7678 0.7678 7.1300 7.1300 7.6346 7.6346 8.1939 8.1939 8.2448 8.2448 9.0519 9.0519 9.1852 9.1852 9.3547 9.3547 9.9356 9.9356 9.9697 9.9697 10.7773 10.7773 10.8940 10.8940 11.0496 11.0496 11.1447 11.1447 11.3867 11.3867 12.1524 12.1524 12.6227 12.6227 12.7577 12.7577 14.7482 14.7482 k = 0.5000 0.2209 0.0657 ( 8120 PWs) bands (ev): -80.3645 -80.3645 -80.3551 -80.3551 -46.0561 -46.0561 -46.0278 -46.0278 -44.3482 -44.3482 -44.2960 -44.2960 -44.2958 -44.2958 -44.2864 -44.2864 -16.3479 -16.3479 -3.0769 -3.0769 -1.5510 -1.5510 -0.8456 -0.8456 0.1123 0.1123 0.7691 0.7691 7.1256 7.1256 7.6432 7.6432 8.1906 8.1906 8.2379 8.2379 9.0480 9.0480 9.2091 9.2091 9.3765 9.3765 9.9357 9.9357 9.9507 9.9507 10.7809 10.7809 10.8989 10.8989 11.0641 11.0641 11.1632 11.1632 11.3681 11.3681 12.1275 12.1275 12.6490 12.6490 12.7474 12.7474 14.7255 14.7255 k = 0.5000 0.2209 0.0438 ( 8116 PWs) bands (ev): -80.3645 -80.3645 -80.3550 -80.3550 -46.0561 -46.0561 -46.0278 -46.0278 -44.3483 -44.3483 -44.2959 -44.2959 -44.2958 -44.2958 -44.2864 -44.2864 -16.3485 -16.3485 -3.0764 -3.0764 -1.5499 -1.5499 -0.8326 -0.8326 0.0954 0.0954 0.7700 0.7700 7.1226 7.1226 7.6495 7.6495 8.1875 8.1875 8.2334 8.2334 9.0456 9.0456 9.2262 9.2262 9.3935 9.3935 9.9352 9.9352 9.9361 9.9361 10.7834 10.7834 10.9026 10.9026 11.0742 11.0742 11.1801 11.1801 11.3518 11.3518 12.1098 12.1098 12.6644 12.6644 12.7443 12.7443 14.7073 14.7073 k = 0.5000 0.2209 0.0219 ( 8106 PWs) bands (ev): -80.3645 -80.3645 -80.3547 -80.3547 -46.0561 -46.0561 -46.0278 -46.0278 -44.3483 -44.3483 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3488 -16.3488 -3.0761 -3.0761 -1.5493 -1.5493 -0.8246 -0.8246 0.0850 0.0850 0.7706 0.7706 7.1208 7.1208 7.6535 7.6535 8.1855 8.1855 8.2312 8.2312 9.0439 9.0439 9.2364 9.2364 9.4047 9.4047 9.9263 9.9263 9.9355 9.9355 10.7848 10.7848 10.9047 10.9047 11.0805 11.0805 11.1931 11.1931 11.3399 11.3399 12.0995 12.0995 12.6710 12.6710 12.7462 12.7462 14.6956 14.6956 k = 0.5000 0.2209-0.0000 ( 8102 PWs) bands (ev): -80.3645 -80.3645 -80.3546 -80.3546 -46.0560 -46.0560 -46.0277 -46.0277 -44.3483 -44.3483 -44.2958 -44.2958 -44.2957 -44.2957 -44.2864 -44.2864 -16.3489 -16.3489 -3.0760 -3.0760 -1.5491 -1.5491 -0.8218 -0.8218 0.0815 0.0815 0.7708 0.7708 7.1202 7.1202 7.6549 7.6549 8.1846 8.1846 8.2305 8.2305 9.0433 9.0433 9.2398 9.2398 9.4085 9.4085 9.9232 9.9232 9.9354 9.9354 10.7853 10.7853 10.9054 10.9054 11.0825 11.0825 11.1981 11.1981 11.3362 11.3362 12.0960 12.0960 12.6723 12.6723 12.7473 12.7473 14.6915 14.6915 k = 0.0000 0.0000 1.2373 ( 8068 PWs) bands (ev): -80.3593 -80.3593 -80.3584 -80.3584 -46.0424 -46.0424 -46.0421 -46.0421 -44.3309 -44.3309 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3553 0.3553 1.0308 1.0308 6.3722 6.3722 6.9940 6.9940 7.3892 7.3892 7.9037 7.9037 8.8435 8.8435 9.4428 9.4428 9.5161 9.5161 9.5855 9.5855 9.6668 9.6668 10.1927 10.1927 10.3619 10.3619 10.5783 10.5783 10.6157 10.6157 10.6407 10.6407 11.5090 11.5090 11.6558 11.6558 14.4123 14.4123 15.5373 15.5373 k = 0.0192 0.0085 1.2373 ( 8072 PWs) bands (ev): -80.3593 -80.3593 -80.3586 -80.3586 -46.0424 -46.0424 -46.0422 -46.0422 -44.3309 -44.3309 -44.3300 -44.3300 -44.2832 -44.2832 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3553 0.3553 1.0308 1.0308 6.3736 6.3736 6.9897 6.9897 7.3894 7.3894 7.9088 7.9088 8.8405 8.8405 9.4435 9.4435 9.5152 9.5152 9.5856 9.5856 9.6689 9.6689 10.1907 10.1907 10.3617 10.3617 10.5776 10.5776 10.6157 10.6157 10.6401 10.6401 11.5093 11.5093 11.6557 11.6557 14.4184 14.4184 15.5394 15.5394 k = 0.0385 0.0170 1.2373 ( 8080 PWs) bands (ev): -80.3593 -80.3593 -80.3588 -80.3588 -46.0424 -46.0424 -46.0422 -46.0422 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3553 0.3553 1.0307 1.0307 6.3780 6.3780 6.9771 6.9771 7.3899 7.3899 7.9241 7.9241 8.8314 8.8314 9.4457 9.4457 9.5121 9.5121 9.5849 9.5849 9.6749 9.6749 10.1846 10.1846 10.3634 10.3634 10.5753 10.5753 10.6153 10.6153 10.6384 10.6384 11.5118 11.5118 11.6550 11.6550 14.4361 14.4361 15.5462 15.5462 k = 0.0577 0.0255 1.2373 ( 8080 PWs) bands (ev): -80.3593 -80.3593 -80.3588 -80.3588 -46.0424 -46.0424 -46.0422 -46.0422 -44.3309 -44.3309 -44.3301 -44.3301 -44.2832 -44.2832 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3554 0.3554 1.0306 1.0306 6.3852 6.3852 6.9572 6.9572 7.3906 7.3906 7.9484 7.9484 8.8165 8.8165 9.4503 9.4503 9.5084 9.5084 9.5835 9.5835 9.6847 9.6847 10.1748 10.1748 10.3661 10.3661 10.5713 10.5713 10.6152 10.6152 10.6359 10.6359 11.5164 11.5164 11.6533 11.6533 14.4662 14.4662 15.5573 15.5573 k = 0.0769 0.0340 1.2373 ( 8066 PWs) bands (ev): -80.3590 -80.3590 -80.3587 -80.3587 -46.0423 -46.0423 -46.0422 -46.0422 -44.3308 -44.3308 -44.3301 -44.3301 -44.2832 -44.2832 -44.2826 -44.2826 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3554 0.3554 1.0306 1.0306 6.3953 6.3953 6.9314 6.9314 7.3916 7.3916 7.9807 7.9807 8.7961 8.7961 9.4557 9.4557 9.5044 9.5044 9.5823 9.5823 9.6980 9.6980 10.1616 10.1616 10.3707 10.3707 10.5660 10.5660 10.6159 10.6159 10.6336 10.6336 11.5219 11.5219 11.6516 11.6516 14.5081 14.5081 15.5729 15.5729 k = 0.0962 0.0425 1.2373 ( 8076 PWs) bands (ev): -80.3592 -80.3592 -80.3588 -80.3588 -46.0424 -46.0424 -46.0422 -46.0422 -44.3308 -44.3308 -44.3301 -44.3301 -44.2832 -44.2832 -44.2826 -44.2826 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3555 0.3555 1.0305 1.0305 6.4082 6.4082 6.9009 6.9009 7.3925 7.3925 8.0194 8.0194 8.7706 8.7706 9.4618 9.4618 9.5000 9.5000 9.5790 9.5790 9.7131 9.7131 10.1450 10.1450 10.3758 10.3758 10.5583 10.5583 10.6157 10.6157 10.6307 10.6307 11.5290 11.5290 11.6481 11.6481 14.5607 14.5607 15.5922 15.5922 k = 0.1154 0.0510 1.2373 ( 8086 PWs) bands (ev): -80.3593 -80.3593 -80.3590 -80.3590 -46.0424 -46.0424 -46.0423 -46.0423 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0664 -1.0664 0.3556 0.3556 1.0304 1.0304 6.4239 6.4239 6.8671 6.8671 7.3935 7.3935 8.0631 8.0631 8.7404 8.7404 9.4675 9.4675 9.4966 9.4966 9.5756 9.5756 9.7304 9.7304 10.1258 10.1258 10.3823 10.3823 10.5486 10.5486 10.6152 10.6152 10.6280 10.6280 11.5358 11.5358 11.6444 11.6444 14.6243 14.6243 15.6156 15.6156 k = 0.1346 0.0595 1.2373 ( 8086 PWs) bands (ev): -80.3593 -80.3593 -80.3590 -80.3590 -46.0424 -46.0424 -46.0423 -46.0423 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3557 0.3557 1.0302 1.0302 6.4423 6.4423 6.8313 6.8313 7.3945 7.3945 8.1107 8.1107 8.7059 8.7059 9.4725 9.4725 9.4955 9.4955 9.5717 9.5717 9.7497 9.7497 10.1045 10.1045 10.3898 10.3898 10.5376 10.5376 10.6152 10.6152 10.6259 10.6259 11.5441 11.5441 11.6400 11.6400 14.6977 14.6977 15.6421 15.6421 k = 0.1538 0.0680 1.2373 ( 8088 PWs) bands (ev): -80.3595 -80.3595 -80.3589 -80.3589 -46.0425 -46.0425 -46.0422 -46.0422 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3558 0.3558 1.0301 1.0301 6.4632 6.4632 6.7944 6.7944 7.3954 7.3954 8.1611 8.1611 8.6676 8.6676 9.4748 9.4748 9.4980 9.4980 9.5666 9.5666 9.7701 9.7701 10.0817 10.0817 10.3989 10.3989 10.5250 10.5250 10.6155 10.6155 10.6240 10.6240 11.5529 11.5529 11.6345 11.6345 14.7803 14.7803 15.6717 15.6717 k = 0.1731 0.0765 1.2373 ( 8082 PWs) bands (ev): -80.3594 -80.3594 -80.3588 -80.3588 -46.0425 -46.0425 -46.0422 -46.0422 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3558 0.3558 1.0300 1.0300 6.4863 6.4863 6.7573 6.7573 7.3961 7.3961 8.2132 8.2132 8.6260 8.6260 9.4747 9.4747 9.5038 9.5038 9.5620 9.5620 9.7914 9.7914 10.0584 10.0584 10.4084 10.4084 10.5119 10.5119 10.6156 10.6156 10.6231 10.6231 11.5618 11.5618 11.6292 11.6292 14.8702 14.8702 15.7036 15.7036 k = 0.1923 0.0850 1.2373 ( 8086 PWs) bands (ev): -80.3594 -80.3594 -80.3589 -80.3589 -46.0425 -46.0425 -46.0423 -46.0423 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3559 0.3559 1.0300 1.0300 6.5114 6.5114 6.7208 6.7208 7.3967 7.3967 8.2661 8.2661 8.5816 8.5816 9.4731 9.4731 9.5108 9.5108 9.5564 9.5564 9.8122 9.8122 10.0354 10.0354 10.4182 10.4182 10.4982 10.4982 10.6160 10.6160 10.6225 10.6225 11.5704 11.5704 11.6233 11.6233 14.9647 14.9647 15.7357 15.7357 k = 0.2115 0.0935 1.2373 ( 8080 PWs) bands (ev): -80.3594 -80.3594 -80.3588 -80.3588 -46.0424 -46.0424 -46.0422 -46.0422 -44.3309 -44.3309 -44.3301 -44.3301 -44.2832 -44.2832 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3560 0.3560 1.0299 1.0299 6.5376 6.5376 6.6861 6.6861 7.3971 7.3971 8.3188 8.3188 8.5352 8.5352 9.4717 9.4717 9.5191 9.5191 9.5504 9.5504 9.8310 9.8310 10.0149 10.0149 10.4304 10.4304 10.4846 10.4846 10.6160 10.6160 10.6221 10.6221 11.5785 11.5785 11.6174 11.6174 15.0600 15.0600 15.6843 15.6843 k = 0.2308 0.1020 1.2373 ( 8088 PWs) bands (ev): -80.3594 -80.3594 -80.3590 -80.3590 -46.0424 -46.0424 -46.0423 -46.0423 -44.3309 -44.3309 -44.3301 -44.3301 -44.2833 -44.2833 -44.2827 -44.2827 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3560 0.3560 1.0298 1.0298 6.5627 6.5627 6.6559 6.6559 7.3974 7.3974 8.3690 8.3690 8.4888 8.4888 9.4710 9.4710 9.5260 9.5260 9.5443 9.5443 9.8453 9.8453 9.9996 9.9996 10.4413 10.4413 10.4717 10.4717 10.6154 10.6154 10.6214 10.6214 11.5842 11.5842 11.6123 11.6123 15.1436 15.1436 15.5862 15.5862 k = 0.2500 0.1104 1.2373 ( 8084 PWs) bands (ev): -80.3591 -80.3591 -80.3591 -80.3591 -46.0424 -46.0424 -46.0423 -46.0423 -44.3308 -44.3308 -44.3302 -44.3302 -44.2833 -44.2833 -44.2826 -44.2826 -16.2056 -16.2056 -3.2957 -3.2957 -1.6352 -1.6352 -1.0665 -1.0665 0.3560 0.3560 1.0298 1.0298 6.5760 6.5760 6.6409 6.6409 7.3975 7.3975 8.4005 8.4005 8.4586 8.4586 9.4707 9.4707 9.5305 9.5305 9.5399 9.5399 9.8510 9.8510 9.9937 9.9937 10.4487 10.4487 10.4640 10.4640 10.6157 10.6157 10.6217 10.6217 11.5863 11.5863 11.6105 11.6105 15.1820 15.1820 15.5426 15.5426 Writing output data file BaxCoAsx2.save init_run : 0.29s CPU 0.51s WALL ( 1 calls) electrons : 480.32s CPU 484.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 480.31s CPU 484.09s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.14s WALL ( 346 calls) cegterg : 433.41s CPU 436.12s WALL ( 351 calls) Called by sum_band: Called by *egterg: h_psi : 382.62s CPU 385.01s WALL ( 6049 calls) s_psi : 5.04s CPU 5.06s WALL ( 6049 calls) g_psi : 0.54s CPU 0.51s WALL ( 5352 calls) cdiaghg : 54.49s CPU 55.28s WALL ( 5698 calls) cegterg:over : 12.50s CPU 12.50s WALL ( 5352 calls) cegterg:upda : 10.68s CPU 10.60s WALL ( 5352 calls) cegterg:last : 6.20s CPU 6.17s WALL ( 1043 calls) cdiaghg:chol : 3.30s CPU 3.19s WALL ( 5698 calls) cdiaghg:inve : 2.05s CPU 2.20s WALL ( 5698 calls) cdiaghg:para : 3.44s CPU 3.68s WALL ( 11396 calls) Called by h_psi: h_psi:vloc : 367.16s CPU 369.43s WALL ( 6049 calls) h_psi:vnl : 15.02s CPU 15.09s WALL ( 6049 calls) add_vuspsi : 7.60s CPU 7.54s WALL ( 6049 calls) General routines calbec : 7.40s CPU 7.53s WALL ( 6049 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 349.34s CPU 351.76s WALL ( 858008 calls) davcio : 0.38s CPU 0.51s WALL ( 692 calls) Parallel routines fft_scatter : 80.68s CPU 80.41s WALL ( 858023 calls) PWSCF : 8m31.32s CPU 9m12.09s WALL This run was terminated on: 20: 4:14 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=