Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:23:14 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: ./Ba2CuClO2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 104 60 17 2764 1216 191 Max 105 61 18 2766 1235 194 Sum 3773 2191 635 99535 44185 6931 bravais-lattice index = 14 lattice parameter (alat) = 18.5881 a.u. unit-cell volume = 1011.9298 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 4 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.588064 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.906042 celldm(5)= 0.906042 celldm(6)= 0.906042 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.906042 0.423188 0.000000 ) a(3) = ( 0.906042 0.201163 0.372319 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.140993 -1.276736 ) b(2) = ( 0.000000 2.363017 -1.276736 ) b(3) = ( 0.000000 0.000000 2.685871 ) 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 1.00) Cl 7.00 35.45300 Cl( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0116279 -0.0248953 -0.0148458), wk = 0.0035971 k( 3) = ( 0.0232558 -0.0497905 -0.0296915), wk = 0.0035971 k( 4) = ( 0.0348837 -0.0746858 -0.0445373), wk = 0.0035971 k( 5) = ( 0.0465116 -0.0995811 -0.0593831), wk = 0.0035971 k( 6) = ( 0.0581395 -0.1244763 -0.0742288), wk = 0.0035971 k( 7) = ( 0.0697674 -0.1493716 -0.0890746), wk = 0.0035971 k( 8) = ( 0.0813954 -0.1742669 -0.1039204), wk = 0.0035971 k( 9) = ( 0.0930233 -0.1991621 -0.1187661), wk = 0.0035971 k( 10) = ( 0.1046512 -0.2240574 -0.1336119), wk = 0.0035971 k( 11) = ( 0.1162791 -0.2489527 -0.1484577), wk = 0.0035971 k( 12) = ( 0.1279070 -0.2738479 -0.1633034), wk = 0.0035971 k( 13) = ( 0.1395349 -0.2987432 -0.1781492), wk = 0.0035971 k( 14) = ( 0.1511628 -0.3236385 -0.1929950), wk = 0.0035971 k( 15) = ( 0.1627907 -0.3485337 -0.2078407), wk = 0.0035971 k( 16) = ( 0.1744186 -0.3734290 -0.2226865), wk = 0.0035971 k( 17) = ( 0.1860465 -0.3983242 -0.2375323), wk = 0.0035971 k( 18) = ( 0.1976744 -0.4232195 -0.2523780), wk = 0.0035971 k( 19) = ( 0.2093023 -0.4481148 -0.2672238), wk = 0.0035971 k( 20) = ( 0.2209302 -0.4730100 -0.2820696), wk = 0.0035971 k( 21) = ( 0.2325581 -0.4979053 -0.2969153), wk = 0.0035971 k( 22) = ( 0.2441860 -0.5228006 -0.3117611), wk = 0.0035971 k( 23) = ( 0.2558140 -0.5476958 -0.3266069), wk = 0.0035971 k( 24) = ( 0.2674419 -0.5725911 -0.3414526), wk = 0.0035971 k( 25) = ( 0.2790698 -0.5974864 -0.3562984), wk = 0.0035971 k( 26) = ( 0.2906977 -0.6223816 -0.3711442), wk = 0.0035971 k( 27) = ( 0.3023256 -0.6472769 -0.3859899), wk = 0.0035971 k( 28) = ( 0.3139535 -0.6721722 -0.4008357), wk = 0.0035971 k( 29) = ( 0.3255814 -0.6970674 -0.4156815), wk = 0.0035971 k( 30) = ( 0.3372093 -0.7219627 -0.4305272), wk = 0.0035971 k( 31) = ( 0.3488372 -0.7468580 -0.4453730), wk = 0.0035971 k( 32) = ( 0.3604651 -0.7717532 -0.4602188), wk = 0.0035971 k( 33) = ( 0.3720930 -0.7966485 -0.4750645), wk = 0.0035971 k( 34) = ( 0.3837209 -0.8215438 -0.4899103), wk = 0.0035971 k( 35) = ( 0.3953488 -0.8464390 -0.5047561), wk = 0.0035971 k( 36) = ( 0.4069767 -0.8713343 -0.5196018), wk = 0.0035971 k( 37) = ( 0.4186047 -0.8962296 -0.5344476), wk = 0.0035971 k( 38) = ( 0.4302326 -0.9211248 -0.5492934), wk = 0.0035971 k( 39) = ( 0.4418605 -0.9460201 -0.5641391), wk = 0.0035971 k( 40) = ( 0.4534884 -0.9709154 -0.5789849), wk = 0.0035971 k( 41) = ( 0.4651163 -0.9958106 -0.5938307), wk = 0.0035971 k( 42) = ( 0.4767442 -1.0207059 -0.6086764), wk = 0.0035971 k( 43) = ( 0.4883721 -1.0456011 -0.6235222), wk = 0.0035971 k( 44) = ( 0.5000000 -1.0704964 -0.6383680), wk = 0.0035971 k( 45) = ( 0.5000000 -1.0704964 -0.6383680), wk = 0.0035971 k( 46) = ( 0.5000000 -1.0549351 -0.6644631), wk = 0.0035971 k( 47) = ( 0.5000000 -1.0393739 -0.6905581), wk = 0.0035971 k( 48) = ( 0.5000000 -1.0238126 -0.7166533), wk = 0.0035971 k( 49) = ( 0.5000000 -1.0082514 -0.7427483), wk = 0.0035971 k( 50) = ( 0.5000000 -0.9926901 -0.7688435), wk = 0.0035971 k( 51) = ( 0.5000000 -0.9771288 -0.7949386), wk = 0.0035971 k( 52) = ( 0.5000000 -0.9615676 -0.8210336), wk = 0.0035971 k( 53) = ( 0.5000000 -0.9460063 -0.8471288), wk = 0.0035971 k( 54) = ( 0.5000000 -0.9304450 -0.8732239), wk = 0.0035971 k( 55) = ( 0.5000000 -0.9148838 -0.8993190), wk = 0.0035971 k( 56) = ( 0.5000000 -0.8993225 -0.9254141), wk = 0.0035971 k( 57) = ( 0.5000000 -0.8837613 -0.9515091), wk = 0.0035971 k( 58) = ( 0.5000000 -0.8682000 -0.9776043), wk = 0.0035971 k( 59) = ( 0.5000000 -0.8526387 -1.0036994), wk = 0.0035971 k( 60) = ( 0.5000000 -0.8370775 -1.0297945), wk = 0.0035971 k( 61) = ( 0.5000000 -0.8215162 -1.0558896), wk = 0.0035971 k( 62) = ( 0.5000000 -0.8059549 -1.0819847), wk = 0.0035971 k( 63) = ( 0.5000000 -0.7903937 -1.1080798), wk = 0.0035971 k( 64) = ( 0.5000000 -0.7748324 -1.1341749), wk = 0.0035971 k( 65) = ( 0.5000000 -0.7592712 -1.1602700), wk = 0.0035971 k( 66) = ( 0.5000000 -0.7437099 -1.1863651), wk = 0.0035971 k( 67) = ( 0.5000000 -0.7281486 -1.2124602), wk = 0.0035971 k( 68) = ( 0.5000000 -0.7125874 -1.2385553), wk = 0.0035971 k( 69) = ( 0.5000000 -0.6970261 -1.2646504), wk = 0.0035971 k( 70) = ( 0.5000000 -0.6814649 -1.2907455), wk = 0.0035971 k( 71) = ( 0.5000000 -0.6659036 -1.3168406), wk = 0.0035971 k( 72) = ( 0.5000000 -0.6503423 -1.3429357), wk = 0.0035971 k( 73) = ( 0.8221959 -0.5788070 -1.2105361), wk = 0.0035971 k( 74) = ( 0.8154835 -0.5644358 -1.1839375), wk = 0.0035971 k( 75) = ( 0.8087711 -0.5500645 -1.1573388), wk = 0.0035971 k( 76) = ( 0.8020587 -0.5356933 -1.1307401), wk = 0.0035971 k( 77) = ( 0.7953463 -0.5213220 -1.1041415), wk = 0.0035971 k( 78) = ( 0.7886338 -0.5069508 -1.0775428), wk = 0.0035971 k( 79) = ( 0.7819214 -0.4925796 -1.0509441), wk = 0.0035971 k( 80) = ( 0.7752090 -0.4782084 -1.0243455), wk = 0.0035971 k( 81) = ( 0.7684966 -0.4638371 -0.9977468), wk = 0.0035971 k( 82) = ( 0.7617842 -0.4494659 -0.9711482), wk = 0.0035971 k( 83) = ( 0.7550718 -0.4350946 -0.9445495), wk = 0.0035971 k( 84) = ( 0.7483594 -0.4207234 -0.9179508), wk = 0.0035971 k( 85) = ( 0.7416469 -0.4063522 -0.8913521), wk = 0.0035971 k( 86) = ( 0.7349345 -0.3919810 -0.8647535), wk = 0.0035971 k( 87) = ( 0.7282221 -0.3776097 -0.8381548), wk = 0.0035971 k( 88) = ( 0.7215097 -0.3632385 -0.8115562), wk = 0.0035971 k( 89) = ( 0.7147973 -0.3488673 -0.7849575), wk = 0.0035971 k( 90) = ( 0.7080849 -0.3344960 -0.7583588), wk = 0.0035971 k( 91) = ( 0.7013725 -0.3201248 -0.7317602), wk = 0.0035971 k( 92) = ( 0.6946600 -0.3057536 -0.7051615), wk = 0.0035971 k( 93) = ( 0.6879476 -0.2913823 -0.6785628), wk = 0.0035971 k( 94) = ( 0.6812352 -0.2770111 -0.6519642), wk = 0.0035971 k( 95) = ( 0.6745228 -0.2626399 -0.6253655), wk = 0.0035971 k( 96) = ( 0.6678104 -0.2482686 -0.5987669), wk = 0.0035971 k( 97) = ( 0.6610980 -0.2338974 -0.5721682), wk = 0.0035971 k( 98) = ( 0.6543855 -0.2195262 -0.5455695), wk = 0.0035971 k( 99) = ( 0.6476731 -0.2051549 -0.5189708), wk = 0.0035971 k( 100) = ( 0.6409607 -0.1907837 -0.4923722), wk = 0.0035971 k( 101) = ( 0.6342483 -0.1764125 -0.4657735), wk = 0.0035971 k( 102) = ( 0.6275359 -0.1620412 -0.4391749), wk = 0.0035971 k( 103) = ( 0.6208235 -0.1476700 -0.4125762), wk = 0.0035971 k( 104) = ( 0.6141111 -0.1332988 -0.3859775), wk = 0.0035971 k( 105) = ( 0.6073986 -0.1189275 -0.3593789), wk = 0.0035971 k( 106) = ( 0.6006862 -0.1045563 -0.3327802), wk = 0.0035971 k( 107) = ( 0.5939738 -0.0901851 -0.3061815), wk = 0.0035971 k( 108) = ( 0.5872614 -0.0758138 -0.2795829), wk = 0.0035971 k( 109) = ( 0.5805490 -0.0614426 -0.2529842), wk = 0.0035971 k( 110) = ( 0.5738366 -0.0470714 -0.2263856), wk = 0.0035971 k( 111) = ( 0.5671242 -0.0327001 -0.1997869), wk = 0.0035971 k( 112) = ( 0.5604117 -0.0183289 -0.1731882), wk = 0.0035971 k( 113) = ( 0.5536993 -0.0039577 -0.1465895), wk = 0.0035971 k( 114) = ( 0.5469869 0.0104135 -0.1199909), wk = 0.0035971 k( 115) = ( 0.5402745 0.0247848 -0.0933922), wk = 0.0035971 k( 116) = ( 0.5335621 0.0391560 -0.0667936), wk = 0.0035971 k( 117) = ( 0.5268497 0.0535273 -0.0401949), wk = 0.0035971 k( 118) = ( 0.5201372 0.0678985 -0.0135962), wk = 0.0035971 k( 119) = ( 0.5134248 0.0822697 0.0130024), wk = 0.0035971 k( 120) = ( 0.5067124 0.0966409 0.0396011), wk = 0.0035971 k( 121) = ( 0.5000000 0.1110122 0.0661998), wk = 0.0035971 k( 122) = ( 0.5000000 0.1110122 0.0661998), wk = 0.0035971 k( 123) = ( 0.4705882 0.1044821 0.0623057), wk = 0.0035971 k( 124) = ( 0.4411765 0.0979519 0.0584116), wk = 0.0035971 k( 125) = ( 0.4117647 0.0914218 0.0545175), wk = 0.0035971 k( 126) = ( 0.3823529 0.0848917 0.0506234), wk = 0.0035971 k( 127) = ( 0.3529412 0.0783615 0.0467293), wk = 0.0035971 k( 128) = ( 0.3235294 0.0718314 0.0428351), wk = 0.0035971 k( 129) = ( 0.2941177 0.0653013 0.0389410), wk = 0.0035971 k( 130) = ( 0.2647059 0.0587712 0.0350469), wk = 0.0035971 k( 131) = ( 0.2352941 0.0522410 0.0311528), wk = 0.0035971 k( 132) = ( 0.2058823 0.0457109 0.0272587), wk = 0.0035971 k( 133) = ( 0.1764706 0.0391808 0.0233646), wk = 0.0035971 k( 134) = ( 0.1470588 0.0326506 0.0194705), wk = 0.0035971 k( 135) = ( 0.1176471 0.0261205 0.0155764), wk = 0.0035971 k( 136) = ( 0.0882353 0.0195904 0.0116823), wk = 0.0035971 k( 137) = ( 0.0588235 0.0130603 0.0077882), wk = 0.0035971 k( 138) = ( 0.0294118 0.0065301 0.0038941), wk = 0.0035971 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 141) = ( 0.0067780 -0.0145117 -0.0268587), wk = 0.0035971 k( 142) = ( 0.0135561 -0.0290235 -0.0537174), wk = 0.0035971 k( 143) = ( 0.0203341 -0.0435352 -0.0805761), wk = 0.0035971 k( 144) = ( 0.0271122 -0.0580469 -0.1074348), wk = 0.0035971 k( 145) = ( 0.0338902 -0.0725587 -0.1342936), wk = 0.0035971 k( 146) = ( 0.0406682 -0.0870704 -0.1611523), wk = 0.0035971 k( 147) = ( 0.0474463 -0.1015822 -0.1880110), wk = 0.0035971 k( 148) = ( 0.0542243 -0.1160939 -0.2148697), wk = 0.0035971 k( 149) = ( 0.0610024 -0.1306056 -0.2417284), wk = 0.0035971 k( 150) = ( 0.0677804 -0.1451174 -0.2685871), wk = 0.0035971 k( 151) = ( 0.0745584 -0.1596291 -0.2954459), wk = 0.0035971 k( 152) = ( 0.0813365 -0.1741408 -0.3223046), wk = 0.0035971 k( 153) = ( 0.0881145 -0.1886526 -0.3491633), wk = 0.0035971 k( 154) = ( 0.0948926 -0.2031643 -0.3760220), wk = 0.0035971 k( 155) = ( 0.1016706 -0.2176760 -0.4028807), wk = 0.0035971 k( 156) = ( 0.1084486 -0.2321878 -0.4297394), wk = 0.0035971 k( 157) = ( 0.1152267 -0.2466995 -0.4565981), wk = 0.0035971 k( 158) = ( 0.1220047 -0.2612113 -0.4834568), wk = 0.0035971 k( 159) = ( 0.1287828 -0.2757230 -0.5103155), wk = 0.0035971 k( 160) = ( 0.1355608 -0.2902347 -0.5371743), wk = 0.0035971 k( 161) = ( 0.1423389 -0.3047465 -0.5640330), wk = 0.0035971 k( 162) = ( 0.1491169 -0.3192582 -0.5908917), wk = 0.0035971 k( 163) = ( 0.1558949 -0.3337700 -0.6177504), wk = 0.0035971 k( 164) = ( 0.1626730 -0.3482817 -0.6446091), wk = 0.0035971 k( 165) = ( 0.1694510 -0.3627934 -0.6714678), wk = 0.0035971 k( 166) = ( 0.1762291 -0.3773052 -0.6983266), wk = 0.0035971 k( 167) = ( 0.1830071 -0.3918169 -0.7251853), wk = 0.0035971 k( 168) = ( 0.1897851 -0.4063286 -0.7520440), wk = 0.0035971 k( 169) = ( 0.1965632 -0.4208404 -0.7789027), wk = 0.0035971 k( 170) = ( 0.2033412 -0.4353521 -0.8057614), wk = 0.0035971 k( 171) = ( 0.2101193 -0.4498638 -0.8326201), wk = 0.0035971 k( 172) = ( 0.2168973 -0.4643756 -0.8594788), wk = 0.0035971 k( 173) = ( 0.2236753 -0.4788873 -0.8863376), wk = 0.0035971 k( 174) = ( 0.2304534 -0.4933991 -0.9131963), wk = 0.0035971 k( 175) = ( 0.2372314 -0.5079108 -0.9400550), wk = 0.0035971 k( 176) = ( 0.2440095 -0.5224225 -0.9669137), wk = 0.0035971 k( 177) = ( 0.2507875 -0.5369343 -0.9937724), wk = 0.0035971 k( 178) = ( 0.2575655 -0.5514460 -1.0206311), wk = 0.0035971 k( 179) = ( 0.2643436 -0.5659577 -1.0474898), wk = 0.0035971 k( 180) = ( 0.2711216 -0.5804695 -1.0743485), wk = 0.0035971 k( 181) = ( 0.2778997 -0.5949812 -1.1012072), wk = 0.0035971 k( 182) = ( 0.2846777 -0.6094929 -1.1280660), wk = 0.0035971 k( 183) = ( 0.2914558 -0.6240047 -1.1549247), wk = 0.0035971 k( 184) = ( 0.2982338 -0.6385164 -1.1817834), wk = 0.0035971 k( 185) = ( 0.3050118 -0.6530281 -1.2086421), wk = 0.0035971 k( 186) = ( 0.3117899 -0.6675399 -1.2355008), wk = 0.0035971 k( 187) = ( 0.3185679 -0.6820516 -1.2623595), wk = 0.0035971 k( 188) = ( 0.3253460 -0.6965634 -1.2892183), wk = 0.0035971 k( 189) = ( 0.3321240 -0.7110751 -1.3160770), wk = 0.0035971 k( 190) = ( 0.3389020 -0.7255868 -1.3429357), wk = 0.0035971 k( 191) = ( 0.6610980 -0.6145746 -1.2767359), wk = 0.0035971 k( 192) = ( 0.6543855 -0.5843419 -1.2767359), wk = 0.0035971 k( 193) = ( 0.6476731 -0.5541091 -1.2767359), wk = 0.0035971 k( 194) = ( 0.6409607 -0.5238763 -1.2767359), wk = 0.0035971 k( 195) = ( 0.6342483 -0.4936435 -1.2767359), wk = 0.0035971 k( 196) = ( 0.6275359 -0.4634107 -1.2767359), wk = 0.0035971 k( 197) = ( 0.6208235 -0.4331779 -1.2767359), wk = 0.0035971 k( 198) = ( 0.6141111 -0.4029452 -1.2767359), wk = 0.0035971 k( 199) = ( 0.6073986 -0.3727124 -1.2767359), wk = 0.0035971 k( 200) = ( 0.6006862 -0.3424796 -1.2767359), wk = 0.0035971 k( 201) = ( 0.5939738 -0.3122468 -1.2767359), wk = 0.0035971 k( 202) = ( 0.5872614 -0.2820140 -1.2767359), wk = 0.0035971 k( 203) = ( 0.5805490 -0.2517812 -1.2767359), wk = 0.0035971 k( 204) = ( 0.5738366 -0.2215485 -1.2767359), wk = 0.0035971 k( 205) = ( 0.5671242 -0.1913157 -1.2767359), wk = 0.0035971 k( 206) = ( 0.5604117 -0.1610829 -1.2767359), wk = 0.0035971 k( 207) = ( 0.5536993 -0.1308501 -1.2767359), wk = 0.0035971 k( 208) = ( 0.5469869 -0.1006173 -1.2767359), wk = 0.0035971 k( 209) = ( 0.5402745 -0.0703845 -1.2767359), wk = 0.0035971 k( 210) = ( 0.5335621 -0.0401518 -1.2767359), wk = 0.0035971 k( 211) = ( 0.5268497 -0.0099190 -1.2767359), wk = 0.0035971 k( 212) = ( 0.5201372 0.0203138 -1.2767359), wk = 0.0035971 k( 213) = ( 0.5134248 0.0505466 -1.2767359), wk = 0.0035971 k( 214) = ( 0.5067124 0.0807794 -1.2767359), wk = 0.0035971 k( 215) = ( 0.5000000 0.1110122 -1.2767359), wk = 0.0035971 k( 216) = ( 0.5000000 0.1110122 -1.2767359), wk = 0.0035971 k( 217) = ( 0.5268497 0.1169735 -1.2657026), wk = 0.0035971 k( 218) = ( 0.5536993 0.1229347 -1.2546693), wk = 0.0035971 k( 219) = ( 0.5805490 0.1288960 -1.2436360), wk = 0.0035971 k( 220) = ( 0.6073986 0.1348573 -1.2326027), wk = 0.0035971 k( 221) = ( 0.6342483 0.1408186 -1.2215694), wk = 0.0035971 k( 222) = ( 0.6610980 0.1467799 -1.2105361), wk = 0.0035971 k( 223) = ( 0.6610980 0.1467799 -1.2105361), wk = 0.0035971 k( 224) = ( 0.6572623 0.1459282 -1.1801377), wk = 0.0035971 k( 225) = ( 0.6534266 0.1450766 -1.1497392), wk = 0.0035971 k( 226) = ( 0.6495910 0.1442250 -1.1193407), wk = 0.0035971 k( 227) = ( 0.6457553 0.1433734 -1.0889422), wk = 0.0035971 k( 228) = ( 0.6419196 0.1425218 -1.0585438), wk = 0.0035971 k( 229) = ( 0.6380840 0.1416702 -1.0281453), wk = 0.0035971 k( 230) = ( 0.6342483 0.1408186 -0.9977468), wk = 0.0035971 k( 231) = ( 0.6304126 0.1399670 -0.9673483), wk = 0.0035971 k( 232) = ( 0.6265770 0.1391154 -0.9369499), wk = 0.0035971 k( 233) = ( 0.6227413 0.1382637 -0.9065514), wk = 0.0035971 k( 234) = ( 0.6189056 0.1374121 -0.8761529), wk = 0.0035971 k( 235) = ( 0.6150700 0.1365605 -0.8457544), wk = 0.0035971 k( 236) = ( 0.6112343 0.1357089 -0.8153560), wk = 0.0035971 k( 237) = ( 0.6073986 0.1348573 -0.7849575), wk = 0.0035971 k( 238) = ( 0.6035630 0.1340057 -0.7545590), wk = 0.0035971 k( 239) = ( 0.5997273 0.1331541 -0.7241605), wk = 0.0035971 k( 240) = ( 0.5958916 0.1323025 -0.6937621), wk = 0.0035971 k( 241) = ( 0.5920560 0.1314509 -0.6633636), wk = 0.0035971 k( 242) = ( 0.5882203 0.1305992 -0.6329651), wk = 0.0035971 k( 243) = ( 0.5843846 0.1297476 -0.6025667), wk = 0.0035971 k( 244) = ( 0.5805490 0.1288960 -0.5721682), wk = 0.0035971 k( 245) = ( 0.5767133 0.1280444 -0.5417697), wk = 0.0035971 k( 246) = ( 0.5728777 0.1271928 -0.5113712), wk = 0.0035971 k( 247) = ( 0.5690420 0.1263412 -0.4809728), wk = 0.0035971 k( 248) = ( 0.5652063 0.1254896 -0.4505743), wk = 0.0035971 k( 249) = ( 0.5613706 0.1246380 -0.4201758), wk = 0.0035971 k( 250) = ( 0.5575350 0.1237864 -0.3897773), wk = 0.0035971 k( 251) = ( 0.5536993 0.1229347 -0.3593789), wk = 0.0035971 k( 252) = ( 0.5498637 0.1220831 -0.3289804), wk = 0.0035971 k( 253) = ( 0.5460280 0.1212315 -0.2985819), wk = 0.0035971 k( 254) = ( 0.5421923 0.1203799 -0.2681834), wk = 0.0035971 k( 255) = ( 0.5383567 0.1195283 -0.2377850), wk = 0.0035971 k( 256) = ( 0.5345210 0.1186767 -0.2073865), wk = 0.0035971 k( 257) = ( 0.5306853 0.1178251 -0.1769880), wk = 0.0035971 k( 258) = ( 0.5268497 0.1169735 -0.1465895), wk = 0.0035971 k( 259) = ( 0.5230140 0.1161219 -0.1161911), wk = 0.0035971 k( 260) = ( 0.5191783 0.1152702 -0.0857926), wk = 0.0035971 k( 261) = ( 0.5153427 0.1144186 -0.0553941), wk = 0.0035971 k( 262) = ( 0.5115070 0.1135670 -0.0249956), wk = 0.0035971 k( 263) = ( 0.5076713 0.1127154 0.0054028), wk = 0.0035971 k( 264) = ( 0.5038357 0.1118638 0.0358013), wk = 0.0035971 k( 265) = ( 0.5000000 0.1110122 0.0661998), wk = 0.0035971 k( 266) = ( 0.5000000 -1.0704964 -0.6383680), wk = 0.0035971 k( 267) = ( 0.5268497 -1.0612454 -0.6328513), wk = 0.0035971 k( 268) = ( 0.5536993 -1.0519944 -0.6273347), wk = 0.0035971 k( 269) = ( 0.5805490 -1.0427434 -0.6218180), wk = 0.0035971 k( 270) = ( 0.6073986 -1.0334923 -0.6163014), wk = 0.0035971 k( 271) = ( 0.6342483 -1.0242413 -0.6107847), wk = 0.0035971 k( 272) = ( 0.6610980 -1.0149903 -0.6052681), wk = 0.0035971 k( 273) = ( 0.6879476 -1.0057393 -0.5997514), wk = 0.0035971 k( 274) = ( 0.7147973 -0.9964883 -0.5942348), wk = 0.0035971 k( 275) = ( 0.7416469 -0.9872373 -0.5887181), wk = 0.0035971 k( 276) = ( 0.7684966 -0.9779862 -0.5832015), wk = 0.0035971 k( 277) = ( 0.7953463 -0.9687352 -0.5776848), wk = 0.0035971 k( 278) = ( 0.8221959 -0.9594842 -0.5721682), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0035971 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0035971 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0035971 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0035971 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0035971 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0035971 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0035971 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0035971 k( 16) = ( 0.1744186 0.0000000 -0.0000000), wk = 0.0035971 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0035971 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0035971 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0035971 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0035971 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0035971 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0035971 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0035971 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0035971 k( 26) = ( 0.2906977 0.0000000 -0.0000000), wk = 0.0035971 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0035971 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0035971 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0035971 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0035971 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0035971 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0035971 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0035971 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0035971 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0035971 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0035971 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0035971 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0035971 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0035971 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0035971 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0035971 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 46) = ( 0.5000000 0.0065853 -0.0065853), wk = 0.0035971 k( 47) = ( 0.5000000 0.0131707 -0.0131707), wk = 0.0035971 k( 48) = ( 0.5000000 0.0197560 -0.0197560), wk = 0.0035971 k( 49) = ( 0.5000000 0.0263413 -0.0263413), wk = 0.0035971 k( 50) = ( 0.5000000 0.0329267 -0.0329267), wk = 0.0035971 k( 51) = ( 0.5000000 0.0395120 -0.0395120), wk = 0.0035971 k( 52) = ( 0.5000000 0.0460974 -0.0460973), wk = 0.0035971 k( 53) = ( 0.5000000 0.0526827 -0.0526827), wk = 0.0035971 k( 54) = ( 0.5000000 0.0592680 -0.0592680), wk = 0.0035971 k( 55) = ( 0.5000000 0.0658534 -0.0658534), wk = 0.0035971 k( 56) = ( 0.5000000 0.0724387 -0.0724387), wk = 0.0035971 k( 57) = ( 0.5000000 0.0790240 -0.0790240), wk = 0.0035971 k( 58) = ( 0.5000000 0.0856094 -0.0856094), wk = 0.0035971 k( 59) = ( 0.5000000 0.0921947 -0.0921947), wk = 0.0035971 k( 60) = ( 0.5000000 0.0987800 -0.0987800), wk = 0.0035971 k( 61) = ( 0.5000000 0.1053654 -0.1053654), wk = 0.0035971 k( 62) = ( 0.5000000 0.1119507 -0.1119507), wk = 0.0035971 k( 63) = ( 0.5000000 0.1185361 -0.1185360), wk = 0.0035971 k( 64) = ( 0.5000000 0.1251214 -0.1251214), wk = 0.0035971 k( 65) = ( 0.5000000 0.1317067 -0.1317067), wk = 0.0035971 k( 66) = ( 0.5000000 0.1382921 -0.1382921), wk = 0.0035971 k( 67) = ( 0.5000000 0.1448774 -0.1448774), wk = 0.0035971 k( 68) = ( 0.5000000 0.1514627 -0.1514627), wk = 0.0035971 k( 69) = ( 0.5000000 0.1580481 -0.1580481), wk = 0.0035971 k( 70) = ( 0.5000000 0.1646334 -0.1646334), wk = 0.0035971 k( 71) = ( 0.5000000 0.1712187 -0.1712187), wk = 0.0035971 k( 72) = ( 0.5000000 0.1778041 -0.1778041), wk = 0.0035971 k( 73) = ( 0.8221959 0.5000000 0.1778041), wk = 0.0035971 k( 74) = ( 0.8154835 0.5000000 0.1845165), wk = 0.0035971 k( 75) = ( 0.8087711 0.5000000 0.1912289), wk = 0.0035971 k( 76) = ( 0.8020587 0.5000000 0.1979413), wk = 0.0035971 k( 77) = ( 0.7953463 0.5000000 0.2046537), wk = 0.0035971 k( 78) = ( 0.7886338 0.5000000 0.2113661), wk = 0.0035971 k( 79) = ( 0.7819214 0.5000000 0.2180786), wk = 0.0035971 k( 80) = ( 0.7752090 0.5000000 0.2247910), wk = 0.0035971 k( 81) = ( 0.7684966 0.5000000 0.2315034), wk = 0.0035971 k( 82) = ( 0.7617842 0.5000000 0.2382158), wk = 0.0035971 k( 83) = ( 0.7550718 0.5000000 0.2449282), wk = 0.0035971 k( 84) = ( 0.7483594 0.5000000 0.2516406), wk = 0.0035971 k( 85) = ( 0.7416469 0.5000000 0.2583531), wk = 0.0035971 k( 86) = ( 0.7349345 0.5000000 0.2650655), wk = 0.0035971 k( 87) = ( 0.7282221 0.5000000 0.2717779), wk = 0.0035971 k( 88) = ( 0.7215097 0.5000000 0.2784903), wk = 0.0035971 k( 89) = ( 0.7147973 0.5000000 0.2852027), wk = 0.0035971 k( 90) = ( 0.7080849 0.5000000 0.2919151), wk = 0.0035971 k( 91) = ( 0.7013725 0.5000000 0.2986276), wk = 0.0035971 k( 92) = ( 0.6946600 0.5000000 0.3053400), wk = 0.0035971 k( 93) = ( 0.6879476 0.5000000 0.3120524), wk = 0.0035971 k( 94) = ( 0.6812352 0.5000000 0.3187648), wk = 0.0035971 k( 95) = ( 0.6745228 0.5000000 0.3254772), wk = 0.0035971 k( 96) = ( 0.6678104 0.5000000 0.3321896), wk = 0.0035971 k( 97) = ( 0.6610980 0.5000000 0.3389020), wk = 0.0035971 k( 98) = ( 0.6543855 0.5000000 0.3456144), wk = 0.0035971 k( 99) = ( 0.6476731 0.5000000 0.3523269), wk = 0.0035971 k( 100) = ( 0.6409607 0.5000000 0.3590393), wk = 0.0035971 k( 101) = ( 0.6342483 0.5000000 0.3657517), wk = 0.0035971 k( 102) = ( 0.6275359 0.5000000 0.3724641), wk = 0.0035971 k( 103) = ( 0.6208235 0.5000000 0.3791765), wk = 0.0035971 k( 104) = ( 0.6141111 0.5000000 0.3858889), wk = 0.0035971 k( 105) = ( 0.6073986 0.5000000 0.3926014), wk = 0.0035971 k( 106) = ( 0.6006862 0.5000000 0.3993138), wk = 0.0035971 k( 107) = ( 0.5939738 0.5000000 0.4060262), wk = 0.0035971 k( 108) = ( 0.5872614 0.5000000 0.4127386), wk = 0.0035971 k( 109) = ( 0.5805490 0.5000000 0.4194510), wk = 0.0035971 k( 110) = ( 0.5738366 0.5000000 0.4261634), wk = 0.0035971 k( 111) = ( 0.5671242 0.5000000 0.4328758), wk = 0.0035971 k( 112) = ( 0.5604117 0.5000000 0.4395883), wk = 0.0035971 k( 113) = ( 0.5536993 0.5000000 0.4463007), wk = 0.0035971 k( 114) = ( 0.5469869 0.5000000 0.4530131), wk = 0.0035971 k( 115) = ( 0.5402745 0.5000000 0.4597255), wk = 0.0035971 k( 116) = ( 0.5335621 0.5000000 0.4664379), wk = 0.0035971 k( 117) = ( 0.5268497 0.5000000 0.4731503), wk = 0.0035971 k( 118) = ( 0.5201372 0.5000000 0.4798627), wk = 0.0035971 k( 119) = ( 0.5134248 0.5000000 0.4865752), wk = 0.0035971 k( 120) = ( 0.5067124 0.5000000 0.4932876), wk = 0.0035971 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 122) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 123) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0035971 k( 124) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0035971 k( 125) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0035971 k( 126) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0035971 k( 127) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0035971 k( 128) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0035971 k( 129) = ( 0.2941177 0.2941177 0.2941176), wk = 0.0035971 k( 130) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0035971 k( 131) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0035971 k( 132) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0035971 k( 133) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0035971 k( 134) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0035971 k( 135) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0035971 k( 136) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0035971 k( 137) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0035971 k( 138) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0035971 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 141) = ( 0.0067780 0.0000000 -0.0067780), wk = 0.0035971 k( 142) = ( 0.0135561 0.0000000 -0.0135561), wk = 0.0035971 k( 143) = ( 0.0203341 0.0000000 -0.0203341), wk = 0.0035971 k( 144) = ( 0.0271122 0.0000000 -0.0271122), wk = 0.0035971 k( 145) = ( 0.0338902 0.0000000 -0.0338902), wk = 0.0035971 k( 146) = ( 0.0406682 0.0000000 -0.0406682), wk = 0.0035971 k( 147) = ( 0.0474463 0.0000000 -0.0474463), wk = 0.0035971 k( 148) = ( 0.0542243 0.0000000 -0.0542243), wk = 0.0035971 k( 149) = ( 0.0610024 0.0000000 -0.0610024), wk = 0.0035971 k( 150) = ( 0.0677804 0.0000000 -0.0677804), wk = 0.0035971 k( 151) = ( 0.0745584 0.0000000 -0.0745584), wk = 0.0035971 k( 152) = ( 0.0813365 0.0000000 -0.0813365), wk = 0.0035971 k( 153) = ( 0.0881145 0.0000000 -0.0881145), wk = 0.0035971 k( 154) = ( 0.0948926 -0.0000000 -0.0948926), wk = 0.0035971 k( 155) = ( 0.1016706 0.0000000 -0.1016706), wk = 0.0035971 k( 156) = ( 0.1084486 0.0000000 -0.1084486), wk = 0.0035971 k( 157) = ( 0.1152267 0.0000000 -0.1152267), wk = 0.0035971 k( 158) = ( 0.1220047 0.0000000 -0.1220047), wk = 0.0035971 k( 159) = ( 0.1287828 0.0000000 -0.1287828), wk = 0.0035971 k( 160) = ( 0.1355608 0.0000000 -0.1355608), wk = 0.0035971 k( 161) = ( 0.1423389 0.0000000 -0.1423389), wk = 0.0035971 k( 162) = ( 0.1491169 0.0000000 -0.1491169), wk = 0.0035971 k( 163) = ( 0.1558949 -0.0000000 -0.1558949), wk = 0.0035971 k( 164) = ( 0.1626730 0.0000000 -0.1626730), wk = 0.0035971 k( 165) = ( 0.1694510 0.0000000 -0.1694510), wk = 0.0035971 k( 166) = ( 0.1762291 0.0000000 -0.1762291), wk = 0.0035971 k( 167) = ( 0.1830071 0.0000000 -0.1830071), wk = 0.0035971 k( 168) = ( 0.1897851 -0.0000000 -0.1897851), wk = 0.0035971 k( 169) = ( 0.1965632 0.0000000 -0.1965632), wk = 0.0035971 k( 170) = ( 0.2033412 0.0000000 -0.2033412), wk = 0.0035971 k( 171) = ( 0.2101193 0.0000000 -0.2101193), wk = 0.0035971 k( 172) = ( 0.2168973 0.0000000 -0.2168973), wk = 0.0035971 k( 173) = ( 0.2236753 0.0000000 -0.2236753), wk = 0.0035971 k( 174) = ( 0.2304534 0.0000000 -0.2304534), wk = 0.0035971 k( 175) = ( 0.2372314 -0.0000000 -0.2372314), wk = 0.0035971 k( 176) = ( 0.2440095 0.0000000 -0.2440095), wk = 0.0035971 k( 177) = ( 0.2507875 0.0000000 -0.2507875), wk = 0.0035971 k( 178) = ( 0.2575655 -0.0000000 -0.2575655), wk = 0.0035971 k( 179) = ( 0.2643436 0.0000000 -0.2643436), wk = 0.0035971 k( 180) = ( 0.2711216 0.0000000 -0.2711216), wk = 0.0035971 k( 181) = ( 0.2778997 0.0000000 -0.2778997), wk = 0.0035971 k( 182) = ( 0.2846777 0.0000000 -0.2846777), wk = 0.0035971 k( 183) = ( 0.2914558 0.0000000 -0.2914557), wk = 0.0035971 k( 184) = ( 0.2982338 0.0000000 -0.2982338), wk = 0.0035971 k( 185) = ( 0.3050118 0.0000000 -0.3050118), wk = 0.0035971 k( 186) = ( 0.3117899 -0.0000000 -0.3117899), wk = 0.0035971 k( 187) = ( 0.3185679 0.0000000 -0.3185679), wk = 0.0035971 k( 188) = ( 0.3253460 0.0000000 -0.3253460), wk = 0.0035971 k( 189) = ( 0.3321240 -0.0000000 -0.3321240), wk = 0.0035971 k( 190) = ( 0.3389020 0.0000000 -0.3389020), wk = 0.0035971 k( 191) = ( 0.6610980 0.3389020 -0.0000000), wk = 0.0035971 k( 192) = ( 0.6543855 0.3456145 -0.0000000), wk = 0.0035971 k( 193) = ( 0.6476731 0.3523269 -0.0000000), wk = 0.0035971 k( 194) = ( 0.6409607 0.3590393 -0.0000000), wk = 0.0035971 k( 195) = ( 0.6342483 0.3657517 -0.0000000), wk = 0.0035971 k( 196) = ( 0.6275359 0.3724641 -0.0000000), wk = 0.0035971 k( 197) = ( 0.6208235 0.3791765 -0.0000000), wk = 0.0035971 k( 198) = ( 0.6141111 0.3858889 -0.0000000), wk = 0.0035971 k( 199) = ( 0.6073986 0.3926014 -0.0000000), wk = 0.0035971 k( 200) = ( 0.6006862 0.3993138 -0.0000000), wk = 0.0035971 k( 201) = ( 0.5939738 0.4060262 -0.0000000), wk = 0.0035971 k( 202) = ( 0.5872614 0.4127386 -0.0000000), wk = 0.0035971 k( 203) = ( 0.5805490 0.4194510 -0.0000000), wk = 0.0035971 k( 204) = ( 0.5738366 0.4261634 -0.0000000), wk = 0.0035971 k( 205) = ( 0.5671242 0.4328759 0.0000000), wk = 0.0035971 k( 206) = ( 0.5604117 0.4395883 -0.0000000), wk = 0.0035971 k( 207) = ( 0.5536993 0.4463007 -0.0000000), wk = 0.0035971 k( 208) = ( 0.5469869 0.4530131 -0.0000000), wk = 0.0035971 k( 209) = ( 0.5402745 0.4597255 0.0000000), wk = 0.0035971 k( 210) = ( 0.5335621 0.4664379 -0.0000000), wk = 0.0035971 k( 211) = ( 0.5268497 0.4731503 -0.0000000), wk = 0.0035971 k( 212) = ( 0.5201372 0.4798628 -0.0000000), wk = 0.0035971 k( 213) = ( 0.5134248 0.4865752 0.0000000), wk = 0.0035971 k( 214) = ( 0.5067124 0.4932876 -0.0000000), wk = 0.0035971 k( 215) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 216) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 217) = ( 0.5268497 0.5268497 0.0296340), wk = 0.0035971 k( 218) = ( 0.5536993 0.5536993 0.0592680), wk = 0.0035971 k( 219) = ( 0.5805490 0.5805490 0.0889020), wk = 0.0035971 k( 220) = ( 0.6073986 0.6073986 0.1185360), wk = 0.0035971 k( 221) = ( 0.6342483 0.6342483 0.1481701), wk = 0.0035971 k( 222) = ( 0.6610980 0.6610980 0.1778041), wk = 0.0035971 k( 223) = ( 0.6610980 0.6610980 0.1778041), wk = 0.0035971 k( 224) = ( 0.6572623 0.6572623 0.1854754), wk = 0.0035971 k( 225) = ( 0.6534266 0.6534266 0.1931467), wk = 0.0035971 k( 226) = ( 0.6495910 0.6495910 0.2008181), wk = 0.0035971 k( 227) = ( 0.6457553 0.6457553 0.2084894), wk = 0.0035971 k( 228) = ( 0.6419196 0.6419196 0.2161607), wk = 0.0035971 k( 229) = ( 0.6380840 0.6380840 0.2238321), wk = 0.0035971 k( 230) = ( 0.6342483 0.6342483 0.2315034), wk = 0.0035971 k( 231) = ( 0.6304126 0.6304126 0.2391747), wk = 0.0035971 k( 232) = ( 0.6265770 0.6265770 0.2468461), wk = 0.0035971 k( 233) = ( 0.6227413 0.6227413 0.2545174), wk = 0.0035971 k( 234) = ( 0.6189056 0.6189056 0.2621887), wk = 0.0035971 k( 235) = ( 0.6150700 0.6150700 0.2698600), wk = 0.0035971 k( 236) = ( 0.6112343 0.6112343 0.2775314), wk = 0.0035971 k( 237) = ( 0.6073986 0.6073986 0.2852027), wk = 0.0035971 k( 238) = ( 0.6035630 0.6035630 0.2928740), wk = 0.0035971 k( 239) = ( 0.5997273 0.5997273 0.3005454), wk = 0.0035971 k( 240) = ( 0.5958916 0.5958916 0.3082167), wk = 0.0035971 k( 241) = ( 0.5920560 0.5920560 0.3158880), wk = 0.0035971 k( 242) = ( 0.5882203 0.5882203 0.3235594), wk = 0.0035971 k( 243) = ( 0.5843846 0.5843846 0.3312307), wk = 0.0035971 k( 244) = ( 0.5805490 0.5805490 0.3389020), wk = 0.0035971 k( 245) = ( 0.5767133 0.5767133 0.3465734), wk = 0.0035971 k( 246) = ( 0.5728777 0.5728776 0.3542447), wk = 0.0035971 k( 247) = ( 0.5690420 0.5690420 0.3619160), wk = 0.0035971 k( 248) = ( 0.5652063 0.5652063 0.3695874), wk = 0.0035971 k( 249) = ( 0.5613706 0.5613706 0.3772587), wk = 0.0035971 k( 250) = ( 0.5575350 0.5575350 0.3849300), wk = 0.0035971 k( 251) = ( 0.5536993 0.5536993 0.3926014), wk = 0.0035971 k( 252) = ( 0.5498637 0.5498637 0.4002727), wk = 0.0035971 k( 253) = ( 0.5460280 0.5460280 0.4079440), wk = 0.0035971 k( 254) = ( 0.5421923 0.5421923 0.4156153), wk = 0.0035971 k( 255) = ( 0.5383567 0.5383567 0.4232867), wk = 0.0035971 k( 256) = ( 0.5345210 0.5345210 0.4309580), wk = 0.0035971 k( 257) = ( 0.5306853 0.5306853 0.4386293), wk = 0.0035971 k( 258) = ( 0.5268497 0.5268497 0.4463007), wk = 0.0035971 k( 259) = ( 0.5230140 0.5230140 0.4539720), wk = 0.0035971 k( 260) = ( 0.5191783 0.5191783 0.4616433), wk = 0.0035971 k( 261) = ( 0.5153427 0.5153427 0.4693147), wk = 0.0035971 k( 262) = ( 0.5115070 0.5115070 0.4769860), wk = 0.0035971 k( 263) = ( 0.5076713 0.5076713 0.4846573), wk = 0.0035971 k( 264) = ( 0.5038357 0.5038357 0.4923287), wk = 0.0035971 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 267) = ( 0.5268497 0.0282418 0.0282418), wk = 0.0035971 k( 268) = ( 0.5536993 0.0564837 0.0564837), wk = 0.0035971 k( 269) = ( 0.5805490 0.0847255 0.0847255), wk = 0.0035971 k( 270) = ( 0.6073986 0.1129674 0.1129673), wk = 0.0035971 k( 271) = ( 0.6342483 0.1412092 0.1412092), wk = 0.0035971 k( 272) = ( 0.6610980 0.1694510 0.1694510), wk = 0.0035971 k( 273) = ( 0.6879476 0.1976929 0.1976929), wk = 0.0035971 k( 274) = ( 0.7147973 0.2259347 0.2259347), wk = 0.0035971 k( 275) = ( 0.7416469 0.2541765 0.2541765), wk = 0.0035971 k( 276) = ( 0.7684966 0.2824184 0.2824184), wk = 0.0035971 k( 277) = ( 0.7953463 0.3106602 0.3106602), wk = 0.0035971 k( 278) = ( 0.8221959 0.3389020 0.3389020), wk = 0.0035971 Dense grid: 99535 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 44185 G-vectors FFT dimensions: ( 81, 81, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 310, 60) NL pseudopotentials 0.39 Mb ( 155, 166) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.02 Mb ( 2765) G-vector shells 0.02 Mb ( 2273) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.14 Mb ( 310, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.30 Mb ( 166, 2, 60) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba2CuClO2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 8.3 secs Computing kpt #: 3 total cpu time spent up to now is 10.5 secs Computing kpt #: 4 total cpu time spent up to now is 12.7 secs Computing kpt #: 5 total cpu time spent up to now is 15.0 secs Computing kpt #: 6 total cpu time spent up to now is 17.3 secs Computing kpt #: 7 total cpu time spent up to now is 19.4 secs Computing kpt #: 8 total cpu time spent up to now is 21.7 secs Computing kpt #: 9 total cpu time spent up to now is 24.1 secs Computing kpt #: 10 total cpu time spent up to now is 26.7 secs Computing kpt #: 11 total cpu time spent up to now is 29.0 secs Computing kpt #: 12 total cpu time spent up to now is 31.6 secs Computing kpt #: 13 total cpu time spent up to now is 34.8 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.1 secs Computing kpt #: 15 total cpu time spent up to now is 42.2 secs Computing kpt #: 16 total cpu time spent up to now is 45.3 secs Computing kpt #: 17 total cpu time spent up to now is 48.4 secs Computing kpt #: 18 total cpu time spent up to now is 50.5 secs Computing kpt #: 19 total cpu time spent up to now is 53.1 secs Computing kpt #: 20 total cpu time spent up to now is 55.7 secs Computing kpt #: 21 total cpu time spent up to now is 58.3 secs Computing kpt #: 22 total cpu time spent up to now is 60.9 secs Computing kpt #: 23 total cpu time spent up to now is 63.6 secs Computing kpt #: 24 total cpu time spent up to now is 66.3 secs Computing kpt #: 25 total cpu time spent up to now is 68.9 secs Computing kpt #: 26 total cpu time spent up to now is 71.5 secs Computing kpt #: 27 total cpu time spent up to now is 74.1 secs Computing kpt #: 28 total cpu time spent up to now is 76.7 secs Computing kpt #: 29 total cpu time spent up to now is 79.3 secs Computing kpt #: 30 total cpu time spent up to now is 81.8 secs Computing kpt #: 31 total cpu time spent up to now is 83.9 secs Computing kpt #: 32 total cpu time spent up to now is 86.0 secs Computing kpt #: 33 total cpu time spent up to now is 88.0 secs Computing kpt #: 34 total cpu time spent up to now is 90.0 secs Computing kpt #: 35 total cpu time spent up to now is 91.8 secs Computing kpt #: 36 total cpu time spent up to now is 93.8 secs Computing kpt #: 37 total cpu time spent up to now is 95.5 secs Computing kpt #: 38 total cpu time spent up to now is 97.1 secs Computing kpt #: 39 total cpu time spent up to now is 98.8 secs Computing kpt #: 40 total cpu time spent up to now is 100.4 secs Computing kpt #: 41 total cpu time spent up to now is 102.1 secs Computing kpt #: 42 total cpu time spent up to now is 104.0 secs Computing kpt #: 43 total cpu time spent up to now is 105.9 secs Computing kpt #: 44 total cpu time spent up to now is 107.6 secs Computing kpt #: 45 total cpu time spent up to now is 109.2 secs Computing kpt #: 46 total cpu time spent up to now is 110.9 secs Computing kpt #: 47 total cpu time spent up to now is 112.5 secs Computing kpt #: 48 total cpu time spent up to now is 114.2 secs Computing kpt #: 49 total cpu time spent up to now is 115.8 secs Computing kpt #: 50 total cpu time spent up to now is 117.5 secs Computing kpt #: 51 total cpu time spent up to now is 119.2 secs Computing kpt #: 52 total cpu time spent up to now is 120.8 secs Computing kpt #: 53 total cpu time spent up to now is 122.5 secs Computing kpt #: 54 total cpu time spent up to now is 124.2 secs Computing kpt #: 55 total cpu time spent up to now is 125.9 secs Computing kpt #: 56 total cpu time spent up to now is 127.5 secs Computing kpt #: 57 total cpu time spent up to now is 129.2 secs Computing kpt #: 58 total cpu time spent up to now is 130.9 secs Computing kpt #: 59 total cpu time spent up to now is 132.6 secs Computing kpt #: 60 total cpu time spent up to now is 134.3 secs Computing kpt #: 61 total cpu time spent up to now is 136.2 secs Computing kpt #: 62 total cpu time spent up to now is 137.9 secs Computing kpt #: 63 total cpu time spent up to now is 139.9 secs Computing kpt #: 64 total cpu time spent up to now is 141.6 secs Computing kpt #: 65 total cpu time spent up to now is 143.5 secs Computing kpt #: 66 total cpu time spent up to now is 145.3 secs Computing kpt #: 67 total cpu time spent up to now is 147.2 secs Computing kpt #: 68 total cpu time spent up to now is 149.3 secs Computing kpt #: 69 total cpu time spent up to now is 151.3 secs Computing kpt #: 70 total cpu time spent up to now is 153.3 secs Computing kpt #: 71 total cpu time spent up to now is 155.5 secs Computing kpt #: 72 total cpu time spent up to now is 157.6 secs Computing kpt #: 73 total cpu time spent up to now is 159.6 secs Computing kpt #: 74 total cpu time spent up to now is 161.7 secs Computing kpt #: 75 total cpu time spent up to now is 163.7 secs Computing kpt #: 76 total cpu time spent up to now is 165.7 secs Computing kpt #: 77 total cpu time spent up to now is 167.8 secs Computing kpt #: 78 total cpu time spent up to now is 169.9 secs Computing kpt #: 79 total cpu time spent up to now is 172.1 secs Computing kpt #: 80 total cpu time spent up to now is 174.2 secs Computing kpt #: 81 total cpu time spent up to now is 176.4 secs Computing kpt #: 82 total cpu time spent up to now is 178.5 secs Computing kpt #: 83 total cpu time spent up to now is 180.6 secs Computing kpt #: 84 total cpu time spent up to now is 182.7 secs Computing kpt #: 85 total cpu time spent up to now is 184.8 secs Computing kpt #: 86 total cpu time spent up to now is 186.9 secs Computing kpt #: 87 total cpu time spent up to now is 189.1 secs Computing kpt #: 88 total cpu time spent up to now is 191.2 secs Computing kpt #: 89 total cpu time spent up to now is 193.1 secs Computing kpt #: 90 total cpu time spent up to now is 195.2 secs Computing kpt #: 91 total cpu time spent up to now is 197.3 secs Computing kpt #: 92 total cpu time spent up to now is 199.3 secs Computing kpt #: 93 total cpu time spent up to now is 201.3 secs Computing kpt #: 94 total cpu time spent up to now is 203.0 secs Computing kpt #: 95 total cpu time spent up to now is 205.0 secs Computing kpt #: 96 total cpu time spent up to now is 207.0 secs Computing kpt #: 97 total cpu time spent up to now is 209.0 secs Computing kpt #: 98 total cpu time spent up to now is 210.7 secs Computing kpt #: 99 total cpu time spent up to now is 212.4 secs Computing kpt #: 100 total cpu time spent up to now is 214.4 secs Computing kpt #: 101 total cpu time spent up to now is 216.4 secs Computing kpt #: 102 total cpu time spent up to now is 218.4 secs Computing kpt #: 103 total cpu time spent up to now is 220.4 secs Computing kpt #: 104 total cpu time spent up to now is 222.4 secs Computing kpt #: 105 total cpu time spent up to now is 224.9 secs Computing kpt #: 106 total cpu time spent up to now is 227.4 secs Computing kpt #: 107 total cpu time spent up to now is 231.0 secs Computing kpt #: 108 total cpu time spent up to now is 235.0 secs Computing kpt #: 109 total cpu time spent up to now is 238.0 secs Computing kpt #: 110 total cpu time spent up to now is 240.3 secs Computing kpt #: 111 total cpu time spent up to now is 243.3 secs Computing kpt #: 112 total cpu time spent up to now is 245.8 secs Computing kpt #: 113 total cpu time spent up to now is 248.0 secs Computing kpt #: 114 total cpu time spent up to now is 250.3 secs Computing kpt #: 115 total cpu time spent up to now is 252.5 secs Computing kpt #: 116 total cpu time spent up to now is 254.9 secs Computing kpt #: 117 total cpu time spent up to now is 257.0 secs Computing kpt #: 118 total cpu time spent up to now is 259.3 secs Computing kpt #: 119 total cpu time spent up to now is 261.5 secs Computing kpt #: 120 total cpu time spent up to now is 263.7 secs Computing kpt #: 121 total cpu time spent up to now is 265.9 secs Computing kpt #: 122 total cpu time spent up to now is 268.2 secs Computing kpt #: 123 total cpu time spent up to now is 270.4 secs Computing kpt #: 124 total cpu time spent up to now is 273.0 secs Computing kpt #: 125 total cpu time spent up to now is 275.6 secs Computing kpt #: 126 total cpu time spent up to now is 278.2 secs Computing kpt #: 127 total cpu time spent up to now is 280.8 secs Computing kpt #: 128 total cpu time spent up to now is 283.4 secs Computing kpt #: 129 total cpu time spent up to now is 285.6 secs Computing kpt #: 130 total cpu time spent up to now is 288.2 secs Computing kpt #: 131 total cpu time spent up to now is 290.4 secs Computing kpt #: 132 total cpu time spent up to now is 293.0 secs Computing kpt #: 133 total cpu time spent up to now is 295.2 secs Computing kpt #: 134 total cpu time spent up to now is 297.4 secs Computing kpt #: 135 total cpu time spent up to now is 299.6 secs Computing kpt #: 136 total cpu time spent up to now is 301.8 secs Computing kpt #: 137 total cpu time spent up to now is 304.0 secs Computing kpt #: 138 total cpu time spent up to now is 306.1 secs Computing kpt #: 139 total cpu time spent up to now is 308.3 secs Computing kpt #: 140 total cpu time spent up to now is 310.4 secs Computing kpt #: 141 total cpu time spent up to now is 312.6 secs Computing kpt #: 142 total cpu time spent up to now is 314.8 secs Computing kpt #: 143 total cpu time spent up to now is 316.9 secs Computing kpt #: 144 total cpu time spent up to now is 319.1 secs Computing kpt #: 145 total cpu time spent up to now is 321.3 secs Computing kpt #: 146 total cpu time spent up to now is 323.7 secs Computing kpt #: 147 total cpu time spent up to now is 326.0 secs Computing kpt #: 148 total cpu time spent up to now is 328.2 secs Computing kpt #: 149 total cpu time spent up to now is 330.6 secs Computing kpt #: 150 total cpu time spent up to now is 332.8 secs Computing kpt #: 151 total cpu time spent up to now is 335.1 secs Computing kpt #: 152 total cpu time spent up to now is 337.1 secs Computing kpt #: 153 total cpu time spent up to now is 339.2 secs Computing kpt #: 154 total cpu time spent up to now is 341.3 secs Computing kpt #: 155 total cpu time spent up to now is 343.5 secs Computing kpt #: 156 total cpu time spent up to now is 345.9 secs Computing kpt #: 157 total cpu time spent up to now is 348.0 secs Computing kpt #: 158 total cpu time spent up to now is 350.1 secs Computing kpt #: 159 total cpu time spent up to now is 352.1 secs Computing kpt #: 160 total cpu time spent up to now is 354.2 secs Computing kpt #: 161 total cpu time spent up to now is 356.3 secs Computing kpt #: 162 total cpu time spent up to now is 358.3 secs Computing kpt #: 163 total cpu time spent up to now is 360.4 secs Computing kpt #: 164 total cpu time spent up to now is 362.4 secs Computing kpt #: 165 total cpu time spent up to now is 364.5 secs Computing kpt #: 166 total cpu time spent up to now is 366.5 secs Computing kpt #: 167 total cpu time spent up to now is 368.6 secs Computing kpt #: 168 total cpu time spent up to now is 370.6 secs Computing kpt #: 169 total cpu time spent up to now is 372.6 secs Computing kpt #: 170 total cpu time spent up to now is 374.6 secs Computing kpt #: 171 total cpu time spent up to now is 376.5 secs Computing kpt #: 172 total cpu time spent up to now is 378.6 secs Computing kpt #: 173 total cpu time spent up to now is 380.2 secs Computing kpt #: 174 total cpu time spent up to now is 382.2 secs Computing kpt #: 175 total cpu time spent up to now is 384.2 secs Computing kpt #: 176 total cpu time spent up to now is 385.9 secs Computing kpt #: 177 total cpu time spent up to now is 387.5 secs Computing kpt #: 178 total cpu time spent up to now is 389.2 secs Computing kpt #: 179 total cpu time spent up to now is 390.9 secs Computing kpt #: 180 total cpu time spent up to now is 392.6 secs Computing kpt #: 181 total cpu time spent up to now is 394.3 secs Computing kpt #: 182 total cpu time spent up to now is 396.0 secs Computing kpt #: 183 total cpu time spent up to now is 397.7 secs Computing kpt #: 184 total cpu time spent up to now is 399.3 secs Computing kpt #: 185 total cpu time spent up to now is 401.0 secs Computing kpt #: 186 total cpu time spent up to now is 403.1 secs Computing kpt #: 187 total cpu time spent up to now is 405.6 secs Computing kpt #: 188 total cpu time spent up to now is 407.8 secs Computing kpt #: 189 total cpu time spent up to now is 409.9 secs Computing kpt #: 190 total cpu time spent up to now is 411.9 secs Computing kpt #: 191 total cpu time spent up to now is 413.9 secs Computing kpt #: 192 total cpu time spent up to now is 415.9 secs Computing kpt #: 193 total cpu time spent up to now is 417.9 secs Computing kpt #: 194 total cpu time spent up to now is 419.9 secs Computing kpt #: 195 total cpu time spent up to now is 421.9 secs Computing kpt #: 196 total cpu time spent up to now is 423.9 secs Computing kpt #: 197 total cpu time spent up to now is 426.0 secs Computing kpt #: 198 total cpu time spent up to now is 428.1 secs Computing kpt #: 199 total cpu time spent up to now is 430.3 secs Computing kpt #: 200 total cpu time spent up to now is 432.5 secs Computing kpt #: 201 total cpu time spent up to now is 434.7 secs Computing kpt #: 202 total cpu time spent up to now is 436.9 secs Computing kpt #: 203 total cpu time spent up to now is 439.1 secs Computing kpt #: 204 total cpu time spent up to now is 441.3 secs Computing kpt #: 205 total cpu time spent up to now is 443.4 secs Computing kpt #: 206 total cpu time spent up to now is 445.6 secs Computing kpt #: 207 total cpu time spent up to now is 447.8 secs Computing kpt #: 208 total cpu time spent up to now is 449.8 secs Computing kpt #: 209 total cpu time spent up to now is 452.0 secs Computing kpt #: 210 total cpu time spent up to now is 454.1 secs Computing kpt #: 211 total cpu time spent up to now is 456.2 secs Computing kpt #: 212 total cpu time spent up to now is 458.3 secs Computing kpt #: 213 total cpu time spent up to now is 460.4 secs Computing kpt #: 214 total cpu time spent up to now is 462.5 secs Computing kpt #: 215 total cpu time spent up to now is 464.5 secs Computing kpt #: 216 total cpu time spent up to now is 466.6 secs Computing kpt #: 217 total cpu time spent up to now is 468.6 secs Computing kpt #: 218 total cpu time spent up to now is 470.6 secs Computing kpt #: 219 total cpu time spent up to now is 472.7 secs Computing kpt #: 220 total cpu time spent up to now is 474.7 secs Computing kpt #: 221 total cpu time spent up to now is 476.6 secs Computing kpt #: 222 total cpu time spent up to now is 478.6 secs Computing kpt #: 223 total cpu time spent up to now is 480.6 secs Computing kpt #: 224 total cpu time spent up to now is 482.6 secs Computing kpt #: 225 total cpu time spent up to now is 484.6 secs Computing kpt #: 226 total cpu time spent up to now is 486.2 secs Computing kpt #: 227 total cpu time spent up to now is 488.2 secs Computing kpt #: 228 total cpu time spent up to now is 489.9 secs Computing kpt #: 229 total cpu time spent up to now is 491.6 secs Computing kpt #: 230 total cpu time spent up to now is 493.2 secs Computing kpt #: 231 total cpu time spent up to now is 495.2 secs Computing kpt #: 232 total cpu time spent up to now is 496.9 secs Computing kpt #: 233 total cpu time spent up to now is 498.5 secs Computing kpt #: 234 total cpu time spent up to now is 500.2 secs Computing kpt #: 235 total cpu time spent up to now is 501.9 secs Computing kpt #: 236 total cpu time spent up to now is 503.5 secs Computing kpt #: 237 total cpu time spent up to now is 505.2 secs Computing kpt #: 238 total cpu time spent up to now is 507.2 secs Computing kpt #: 239 total cpu time spent up to now is 508.9 secs Computing kpt #: 240 total cpu time spent up to now is 510.6 secs Computing kpt #: 241 total cpu time spent up to now is 512.5 secs Computing kpt #: 242 total cpu time spent up to now is 514.2 secs Computing kpt #: 243 total cpu time spent up to now is 516.2 secs Computing kpt #: 244 total cpu time spent up to now is 518.3 secs Computing kpt #: 245 total cpu time spent up to now is 520.4 secs Computing kpt #: 246 total cpu time spent up to now is 522.7 secs Computing kpt #: 247 total cpu time spent up to now is 525.2 secs Computing kpt #: 248 total cpu time spent up to now is 527.8 secs Computing kpt #: 249 total cpu time spent up to now is 530.5 secs Computing kpt #: 250 total cpu time spent up to now is 533.2 secs Computing kpt #: 251 total cpu time spent up to now is 536.3 secs Computing kpt #: 252 total cpu time spent up to now is 538.9 secs Computing kpt #: 253 total cpu time spent up to now is 541.3 secs Computing kpt #: 254 total cpu time spent up to now is 543.4 secs Computing kpt #: 255 total cpu time spent up to now is 546.0 secs Computing kpt #: 256 total cpu time spent up to now is 548.3 secs Computing kpt #: 257 total cpu time spent up to now is 550.6 secs Computing kpt #: 258 total cpu time spent up to now is 552.8 secs Computing kpt #: 259 total cpu time spent up to now is 555.0 secs Computing kpt #: 260 total cpu time spent up to now is 557.5 secs Computing kpt #: 261 total cpu time spent up to now is 559.7 secs Computing kpt #: 262 total cpu time spent up to now is 561.9 secs Computing kpt #: 263 total cpu time spent up to now is 564.2 secs Computing kpt #: 264 total cpu time spent up to now is 566.4 secs Computing kpt #: 265 total cpu time spent up to now is 568.6 secs Computing kpt #: 266 total cpu time spent up to now is 570.2 secs Computing kpt #: 267 total cpu time spent up to now is 571.9 secs Computing kpt #: 268 total cpu time spent up to now is 573.6 secs Computing kpt #: 269 total cpu time spent up to now is 575.2 secs Computing kpt #: 270 total cpu time spent up to now is 576.9 secs Computing kpt #: 271 total cpu time spent up to now is 578.6 secs Computing kpt #: 272 total cpu time spent up to now is 580.2 secs Computing kpt #: 273 total cpu time spent up to now is 581.9 secs Computing kpt #: 274 total cpu time spent up to now is 583.5 secs Computing kpt #: 275 total cpu time spent up to now is 585.2 secs Computing kpt #: 276 total cpu time spent up to now is 587.2 secs Computing kpt #: 277 total cpu time spent up to now is 589.2 secs Computing kpt #: 278 total cpu time spent up to now is 591.1 secs ethr = 2.00E-08, avg # of iterations = 30.1 total cpu time spent up to now is 591.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5541 PWs) bands (ev): -20.2311 -20.2311 -20.2225 -20.2225 -10.6848 -10.6848 -10.4190 -10.4190 -9.2631 -9.2631 -6.7102 -6.7102 -6.6506 -6.6506 -4.7687 -4.7687 -4.6885 -4.6885 -4.6281 -4.6281 -4.6247 -4.6247 1.8194 1.8194 2.3302 2.3302 2.7404 2.7404 2.8022 2.8022 3.0030 3.0030 3.0725 3.0725 3.6668 3.6668 3.8916 3.8916 3.9674 3.9674 4.4200 4.4200 4.8218 4.8218 5.0448 5.0448 5.8389 5.8389 5.9311 5.9311 8.6470 8.6470 9.8077 9.8077 10.7935 10.7935 11.1060 11.1060 11.1218 11.1218 k = 0.0116-0.0249-0.0148 ( 5542 PWs) bands (ev): -20.2309 -20.2309 -20.2224 -20.2224 -10.6852 -10.6852 -10.4195 -10.4195 -9.2630 -9.2630 -6.7112 -6.7112 -6.6496 -6.6496 -4.7702 -4.7702 -4.6883 -4.6883 -4.6276 -4.6276 -4.6243 -4.6243 1.8196 1.8196 2.3293 2.3293 2.7400 2.7400 2.8018 2.8018 3.0043 3.0043 3.0737 3.0737 3.6667 3.6667 3.8910 3.8910 3.9666 3.9666 4.4216 4.4216 4.8218 4.8218 5.0449 5.0449 5.8392 5.8392 5.9314 5.9314 8.6490 8.6490 9.8089 9.8089 10.7924 10.7924 11.1071 11.1071 11.1228 11.1228 k = 0.0233-0.0498-0.0297 ( 5538 PWs) bands (ev): -20.2306 -20.2306 -20.2221 -20.2221 -10.6866 -10.6866 -10.4211 -10.4211 -9.2628 -9.2628 -6.7141 -6.7141 -6.6469 -6.6469 -4.7747 -4.7747 -4.6881 -4.6881 -4.6261 -4.6261 -4.6230 -4.6230 1.8203 1.8203 2.3269 2.3269 2.7390 2.7390 2.8006 2.8006 3.0082 3.0082 3.0775 3.0775 3.6665 3.6665 3.8892 3.8892 3.9645 3.9645 4.4263 4.4263 4.8220 4.8220 5.0450 5.0450 5.8404 5.8404 5.9324 5.9324 8.6550 8.6550 9.8125 9.8125 10.7892 10.7892 11.1103 11.1103 11.1257 11.1257 k = 0.0349-0.0747-0.0445 ( 5532 PWs) bands (ev): -20.2300 -20.2300 -20.2215 -20.2215 -10.6890 -10.6890 -10.4237 -10.4237 -9.2624 -9.2624 -6.7184 -6.7184 -6.6430 -6.6430 -4.7815 -4.7815 -4.6885 -4.6885 -4.6242 -4.6242 -4.6202 -4.6202 1.8215 1.8215 2.3229 2.3229 2.7371 2.7371 2.7988 2.7988 3.0142 3.0142 3.0836 3.0836 3.6662 3.6662 3.8857 3.8857 3.9616 3.9616 4.4339 4.4339 4.8223 4.8223 5.0453 5.0453 5.8422 5.8422 5.9340 5.9340 8.6650 8.6650 9.8183 9.8183 10.7840 10.7840 11.1149 11.1149 11.1306 11.1306 k = 0.0465-0.0996-0.0594 ( 5526 PWs) bands (ev): -20.2291 -20.2291 -20.2207 -20.2207 -10.6922 -10.6922 -10.4273 -10.4273 -9.2618 -9.2618 -6.7236 -6.7236 -6.6383 -6.6383 -4.7898 -4.7898 -4.6899 -4.6899 -4.6226 -4.6226 -4.6155 -4.6155 1.8231 1.8231 2.3176 2.3176 2.7346 2.7346 2.7965 2.7965 3.0219 3.0219 3.0922 3.0922 3.6658 3.6658 3.8802 3.8802 3.9591 3.9591 4.4441 4.4441 4.8226 4.8226 5.0457 5.0457 5.8448 5.8448 5.9362 5.9362 8.6787 8.6787 9.8264 9.8264 10.7768 10.7768 11.1199 11.1199 11.1378 11.1378 k = 0.0581-0.1245-0.0742 ( 5521 PWs) bands (ev): -20.2280 -20.2280 -20.2197 -20.2197 -10.6963 -10.6963 -10.4320 -10.4320 -9.2611 -9.2611 -6.7294 -6.7294 -6.6332 -6.6332 -4.7992 -4.7992 -4.6927 -4.6927 -4.6214 -4.6214 -4.6090 -4.6090 1.8252 1.8252 2.3113 2.3113 2.7313 2.7313 2.7941 2.7941 3.0307 3.0307 3.1029 3.1029 3.6652 3.6652 3.8725 3.8725 3.9577 3.9577 4.4565 4.4565 4.8231 4.8231 5.0462 5.0462 5.8480 5.8480 5.9390 5.9390 8.6959 8.6959 9.8366 9.8366 10.7678 10.7678 11.1239 11.1239 11.1479 11.1479 k = 0.0698-0.1494-0.0891 ( 5511 PWs) bands (ev): -20.2267 -20.2267 -20.2184 -20.2184 -10.7014 -10.7014 -10.4376 -10.4376 -9.2602 -9.2602 -6.7355 -6.7355 -6.6280 -6.6280 -4.8091 -4.8091 -4.6967 -4.6967 -4.6203 -4.6203 -4.6015 -4.6015 1.8278 1.8278 2.3042 2.3042 2.7272 2.7272 2.7915 2.7915 3.0404 3.0404 3.1155 3.1155 3.6646 3.6646 3.8626 3.8626 3.9580 3.9580 4.4710 4.4710 4.8238 4.8238 5.0468 5.0468 5.8519 5.8519 5.9424 5.9424 8.7163 8.7163 9.8487 9.8487 10.7569 10.7569 11.1262 11.1262 11.1609 11.1609 k = 0.0814-0.1743-0.1039 ( 5503 PWs) bands (ev): -20.2252 -20.2252 -20.2170 -20.2170 -10.7072 -10.7072 -10.4442 -10.4442 -9.2590 -9.2590 -6.7416 -6.7416 -6.6228 -6.6228 -4.8194 -4.8194 -4.7017 -4.7017 -4.6195 -4.6195 -4.5933 -4.5933 1.8307 1.8307 2.2967 2.2967 2.7224 2.7224 2.7889 2.7889 3.0507 3.0507 3.1293 3.1293 3.6638 3.6638 3.8514 3.8514 3.9601 3.9601 4.4871 4.4871 4.8245 4.8245 5.0475 5.0475 5.8564 5.8564 5.9464 5.9464 8.7395 8.7395 9.8626 9.8626 10.7438 10.7438 11.1270 11.1270 11.1766 11.1766 k = 0.0930-0.1992-0.1188 ( 5497 PWs) bands (ev): -20.2234 -20.2234 -20.2154 -20.2154 -10.7139 -10.7139 -10.4517 -10.4517 -9.2577 -9.2577 -6.7477 -6.7477 -6.6179 -6.6179 -4.8297 -4.8297 -4.7075 -4.7075 -4.6190 -4.6190 -4.5848 -4.5848 1.8340 1.8340 2.2889 2.2889 2.7168 2.7168 2.7863 2.7863 3.0616 3.0616 3.1437 3.1437 3.6629 3.6629 3.8397 3.8397 3.9639 3.9639 4.5046 4.5046 4.8253 4.8253 5.0484 5.0484 5.8613 5.8613 5.9508 5.9508 8.7651 8.7651 9.8780 9.8780 10.7281 10.7281 11.1268 11.1268 11.1945 11.1945 k = 0.1047-0.2241-0.1336 ( 5500 PWs) bands (ev): -20.2215 -20.2215 -20.2135 -20.2135 -10.7214 -10.7214 -10.4601 -10.4601 -9.2562 -9.2562 -6.7537 -6.7537 -6.6133 -6.6133 -4.8399 -4.8399 -4.7141 -4.7141 -4.6188 -4.6188 -4.5764 -4.5764 1.8377 1.8377 2.2813 2.2813 2.7103 2.7103 2.7837 2.7837 3.0730 3.0730 3.1580 3.1580 3.6619 3.6619 3.8284 3.8284 3.9691 3.9691 4.5232 4.5232 4.8263 4.8263 5.0494 5.0494 5.8668 5.8668 5.9558 5.9558 8.7926 8.7926 9.8947 9.8947 10.7096 10.7096 11.1269 11.1269 11.2144 11.2144 k = 0.1163-0.2490-0.1485 ( 5496 PWs) bands (ev): -20.2193 -20.2193 -20.2115 -20.2115 -10.7297 -10.7297 -10.4693 -10.4693 -9.2544 -9.2544 -6.7595 -6.7595 -6.6092 -6.6092 -4.8499 -4.8499 -4.7212 -4.7212 -4.6188 -4.6188 -4.5681 -4.5681 1.8417 1.8417 2.2740 2.2740 2.7029 2.7029 2.7810 2.7810 3.0848 3.0848 3.1716 3.1716 3.6607 3.6607 3.8185 3.8185 3.9757 3.9757 4.5430 4.5430 4.8274 4.8274 5.0506 5.0506 5.8726 5.8726 5.9612 5.9612 8.8216 8.8216 9.9124 9.9124 10.6877 10.6877 11.1282 11.1282 11.2360 11.2360 k = 0.1279-0.2738-0.1633 ( 5506 PWs) bands (ev): -20.2170 -20.2170 -20.2093 -20.2093 -10.7387 -10.7387 -10.4793 -10.4793 -9.2524 -9.2524 -6.7650 -6.7650 -6.6055 -6.6055 -4.8596 -4.8596 -4.7288 -4.7288 -4.6191 -4.6191 -4.5601 -4.5601 1.8460 1.8460 2.2673 2.2673 2.6945 2.6945 2.7783 2.7783 3.0971 3.0971 3.1841 3.1841 3.6592 3.6592 3.8108 3.8108 3.9835 3.9835 4.5636 4.5636 4.8287 4.8287 5.0519 5.0519 5.8788 5.8788 5.9672 5.9672 8.8514 8.8514 9.9306 9.9306 10.6624 10.6624 11.1321 11.1321 11.2588 11.2588 k = 0.1395-0.2987-0.1781 ( 5496 PWs) bands (ev): -20.2145 -20.2145 -20.2069 -20.2069 -10.7484 -10.7484 -10.4900 -10.4900 -9.2502 -9.2502 -6.7702 -6.7702 -6.6023 -6.6023 -4.8690 -4.8690 -4.7369 -4.7369 -4.6196 -4.6196 -4.5526 -4.5526 1.8505 1.8505 2.2614 2.2614 2.6849 2.6849 2.7755 2.7755 3.1098 3.1098 3.1949 3.1949 3.6574 3.6574 3.8061 3.8061 3.9925 3.9925 4.5850 4.5850 4.8304 4.8304 5.0535 5.0535 5.8853 5.8853 5.9736 5.9736 8.8815 8.8815 9.9490 9.9490 10.6337 10.6337 11.1392 11.1392 11.2822 11.2822 k = 0.1512-0.3236-0.1930 ( 5498 PWs) bands (ev): -20.2118 -20.2118 -20.2044 -20.2044 -10.7586 -10.7586 -10.5014 -10.5014 -9.2477 -9.2477 -6.7750 -6.7750 -6.5997 -6.5997 -4.8779 -4.8779 -4.7453 -4.7453 -4.6204 -4.6204 -4.5457 -4.5457 1.8552 1.8552 2.2566 2.2566 2.6742 2.6742 2.7725 2.7725 3.1227 3.1227 3.2040 3.2040 3.6550 3.6550 3.8049 3.8049 4.0024 4.0024 4.6071 4.6071 4.8323 4.8323 5.0552 5.0552 5.8919 5.8919 5.9806 5.9806 8.9112 8.9112 9.9671 9.9671 10.6020 10.6020 11.1498 11.1498 11.3034 11.3039 k = 0.1628-0.3485-0.2078 ( 5502 PWs) bands (ev): -20.2090 -20.2090 -20.2018 -20.2018 -10.7695 -10.7695 -10.5135 -10.5135 -9.2450 -9.2450 -6.7795 -6.7795 -6.5977 -6.5977 -4.8863 -4.8863 -4.7540 -4.7540 -4.6214 -4.6214 -4.5394 -4.5394 1.8599 1.8599 2.2529 2.2529 2.6623 2.6623 2.7694 2.7694 3.1357 3.1357 3.2113 3.2113 3.6522 3.6522 3.8073 3.8073 4.0133 4.0133 4.6295 4.6295 4.8347 4.8347 5.0572 5.0572 5.8987 5.8987 5.9881 5.9881 8.9400 8.9400 9.9842 9.9842 10.5682 10.5682 11.1641 11.1641 11.3068 11.3068 k = 0.1744-0.3734-0.2227 ( 5501 PWs) bands (ev): -20.2060 -20.2060 -20.1990 -20.1990 -10.7808 -10.7808 -10.5260 -10.5260 -9.2420 -9.2420 -6.7836 -6.7836 -6.5963 -6.5963 -4.8943 -4.8943 -4.7629 -4.7629 -4.6227 -4.6227 -4.5337 -4.5337 1.8646 1.8646 2.2504 2.2504 2.6490 2.6490 2.7661 2.7661 3.1484 3.1484 3.2172 3.2172 3.6487 3.6487 3.8136 3.8136 4.0252 4.0252 4.6522 4.6522 4.8378 4.8378 5.0595 5.0595 5.9056 5.9056 5.9961 5.9961 8.9672 8.9672 9.9998 9.9998 10.5332 10.5332 11.1814 11.1814 11.3029 11.3029 k = 0.1860-0.3983-0.2375 ( 5500 PWs) bands (ev): -20.2030 -20.2030 -20.1961 -20.1961 -10.7926 -10.7926 -10.5391 -10.5391 -9.2388 -9.2388 -6.7873 -6.7873 -6.5955 -6.5955 -4.9017 -4.9017 -4.7720 -4.7720 -4.6242 -4.6242 -4.5287 -4.5287 1.8691 1.8691 2.2494 2.2494 2.6343 2.6343 2.7626 2.7626 3.1606 3.1606 3.2224 3.2224 3.6446 3.6446 3.8234 3.8234 4.0378 4.0378 4.6746 4.6746 4.8419 4.8419 5.0620 5.0620 5.9126 5.9126 6.0047 6.0047 8.9921 8.9921 10.0130 10.0130 10.4984 10.4984 11.2007 11.2007 11.2979 11.2979 k = 0.1977-0.4232-0.2524 ( 5492 PWs) bands (ev): -20.1998 -20.1998 -20.1931 -20.1931 -10.8048 -10.8048 -10.5526 -10.5526 -9.2353 -9.2353 -6.7906 -6.7906 -6.5953 -6.5953 -4.9086 -4.9086 -4.7812 -4.7812 -4.6259 -4.6259 -4.5244 -4.5244 1.8735 1.8735 2.2498 2.2498 2.6184 2.6184 2.7589 2.7589 3.1717 3.1717 3.2277 3.2277 3.6400 3.6400 3.8363 3.8363 4.0513 4.0513 4.6964 4.6964 4.8474 4.8474 5.0649 5.0649 5.9195 5.9195 6.0138 6.0138 9.0142 9.0142 10.0229 10.0229 10.4655 10.4655 11.2199 11.2199 11.2937 11.2938 k = 0.2093-0.4481-0.2672 ( 5493 PWs) bands (ev): -20.1965 -20.1965 -20.1901 -20.1901 -10.8173 -10.8173 -10.5665 -10.5665 -9.2316 -9.2316 -6.7935 -6.7935 -6.5958 -6.5958 -4.9149 -4.9149 -4.7906 -4.7906 -4.6277 -4.6277 -4.5208 -4.5208 1.8775 1.8775 2.2518 2.2518 2.6012 2.6012 2.7551 2.7551 3.1808 3.1808 3.2341 3.2341 3.6349 3.6349 3.8520 3.8520 4.0654 4.0654 4.7168 4.7168 4.8549 4.8549 5.0681 5.0681 5.9264 5.9264 6.0234 6.0234 9.0329 9.0329 10.0286 10.0286 10.4360 10.4360 11.2345 11.2345 11.2939 11.2939 k = 0.2209-0.4730-0.2821 ( 5495 PWs) bands (ev): -20.1932 -20.1932 -20.1869 -20.1869 -10.8301 -10.8301 -10.5806 -10.5806 -9.2277 -9.2277 -6.7960 -6.7960 -6.5968 -6.5968 -4.9207 -4.9207 -4.7999 -4.7999 -4.6298 -4.6298 -4.5179 -4.5179 1.8811 1.8811 2.2553 2.2553 2.5829 2.5829 2.7510 2.7510 3.1877 3.1877 3.2426 3.2426 3.6292 3.6292 3.8697 3.8697 4.0801 4.0801 4.7348 4.7348 4.8652 4.8652 5.0719 5.0719 5.9333 5.9333 6.0335 6.0335 9.0474 9.0474 10.0293 10.0293 10.4116 10.4116 11.2393 11.2393 11.3029 11.3029 k = 0.2326-0.4979-0.2969 ( 5503 PWs) bands (ev): -20.1898 -20.1898 -20.1838 -20.1838 -10.8430 -10.8430 -10.5950 -10.5950 -9.2236 -9.2236 -6.7980 -6.7980 -6.5985 -6.5985 -4.9260 -4.9260 -4.8093 -4.8093 -4.6321 -4.6321 -4.5157 -4.5157 1.8842 1.8842 2.2602 2.2602 2.5636 2.5636 2.7468 2.7468 3.1924 3.1924 3.2531 3.2531 3.6231 3.6231 3.8891 3.8891 4.0954 4.0954 4.7499 4.7499 4.8789 4.8789 5.0761 5.0761 5.9402 5.9402 6.0441 6.0441 9.0574 9.0574 10.0247 10.0247 10.3934 10.3934 11.2354 11.2354 11.3184 11.3184 k = 0.2442-0.5228-0.3118 ( 5506 PWs) bands (ev): -20.1864 -20.1864 -20.1806 -20.1806 -10.8560 -10.8560 -10.6095 -10.6095 -9.2192 -9.2192 -6.7997 -6.7997 -6.6007 -6.6007 -4.9308 -4.9308 -4.8185 -4.8185 -4.6345 -4.6345 -4.5140 -4.5140 1.8868 1.8868 2.2666 2.2666 2.5436 2.5436 2.7424 2.7424 3.1959 3.1959 3.2652 3.2652 3.6165 3.6165 3.9097 3.9097 4.1111 4.1111 4.7616 4.7616 4.8959 4.8959 5.0811 5.0811 5.9472 5.9472 6.0551 6.0551 9.0623 9.0623 10.0152 10.0152 10.3818 10.3818 11.2275 11.2275 11.3345 11.3345 k = 0.2558-0.5477-0.3266 ( 5510 PWs) bands (ev): -20.1830 -20.1830 -20.1774 -20.1774 -10.8690 -10.8690 -10.6240 -10.6240 -9.2147 -9.2147 -6.8009 -6.8009 -6.6035 -6.6035 -4.9350 -4.9350 -4.8277 -4.8277 -4.6371 -4.6371 -4.5130 -4.5130 1.8886 1.8886 2.2742 2.2742 2.5232 2.5232 2.7379 2.7379 3.1988 3.1988 3.2782 3.2782 3.6095 3.6095 3.9310 3.9310 4.1272 4.1272 4.7701 4.7701 4.9157 4.9157 5.0871 5.0871 5.9542 5.9542 6.0664 6.0664 9.0619 9.0619 10.0018 10.0018 10.3763 10.3763 11.2182 11.2182 11.3474 11.3474 k = 0.2674-0.5726-0.3415 ( 5512 PWs) bands (ev): -20.1795 -20.1795 -20.1742 -20.1742 -10.8820 -10.8820 -10.6385 -10.6385 -9.2101 -9.2101 -6.8018 -6.8018 -6.6067 -6.6067 -4.9388 -4.9388 -4.8367 -4.8367 -4.6399 -4.6399 -4.5124 -4.5124 1.8899 1.8899 2.2828 2.2828 2.5028 2.5028 2.7333 2.7333 3.2017 3.2017 3.2918 3.2918 3.6020 3.6020 3.9527 3.9527 4.1435 4.1435 4.7761 4.7761 4.9373 4.9373 5.0944 5.0944 5.9613 5.9613 6.0780 6.0780 9.0560 9.0560 9.9861 9.9861 10.3759 10.3759 11.2086 11.2086 11.3551 11.3552 k = 0.2791-0.5975-0.3563 ( 5518 PWs) bands (ev): -20.1761 -20.1761 -20.1710 -20.1710 -10.8949 -10.8949 -10.6530 -10.6530 -9.2054 -9.2054 -6.8023 -6.8023 -6.6104 -6.6104 -4.9422 -4.9422 -4.8454 -4.8454 -4.6429 -4.6429 -4.5123 -4.5123 1.8904 1.8904 2.2923 2.2923 2.4827 2.4827 2.7286 2.7286 3.2049 3.2049 3.3055 3.3055 3.5941 3.5941 3.9745 3.9745 4.1600 4.1600 4.7801 4.7801 4.9593 4.9593 5.1036 5.1036 5.9686 5.9686 6.0897 6.0897 9.0447 9.0447 9.9695 9.9695 10.3794 10.3794 11.1989 11.1989 11.3572 11.3572 k = 0.2907-0.6224-0.3711 ( 5518 PWs) bands (ev): -20.1727 -20.1727 -20.1678 -20.1678 -10.9076 -10.9076 -10.6672 -10.6672 -9.2006 -9.2006 -6.8024 -6.8024 -6.6146 -6.6146 -4.9451 -4.9451 -4.8539 -4.8539 -4.6460 -4.6460 -4.5127 -4.5127 1.8902 1.8902 2.3021 2.3021 2.4634 2.4634 2.7239 2.7239 3.2087 3.2087 3.3191 3.3191 3.5858 3.5858 3.9962 3.9962 4.1765 4.1765 4.7828 4.7828 4.9805 4.9805 5.1152 5.1152 5.9761 5.9761 6.1016 6.1016 9.0282 9.0282 9.9532 9.9532 10.3859 10.3859 11.1894 11.1894 11.3545 11.3545 k = 0.3023-0.6473-0.3860 ( 5508 PWs) bands (ev): -20.1694 -20.1694 -20.1648 -20.1648 -10.9200 -10.9200 -10.6812 -10.6812 -9.1957 -9.1957 -6.8021 -6.8021 -6.6191 -6.6191 -4.9477 -4.9477 -4.8620 -4.8620 -4.6494 -4.6494 -4.5133 -4.5133 1.8892 1.8892 2.3116 2.3116 2.4458 2.4458 2.7192 2.7192 3.2132 3.2132 3.3326 3.3326 3.5772 3.5772 4.0173 4.0173 4.1929 4.1929 4.7846 4.7846 4.9995 4.9995 5.1299 5.1299 5.9838 5.9838 6.1135 6.1135 9.0071 9.0071 9.9381 9.9381 10.3944 10.3944 11.1797 11.1797 11.3478 11.3478 k = 0.3140-0.6722-0.4008 ( 5510 PWs) bands (ev): -20.1662 -20.1662 -20.1618 -20.1618 -10.9321 -10.9321 -10.6949 -10.6949 -9.1909 -9.1909 -6.8015 -6.8015 -6.6240 -6.6240 -4.9500 -4.9500 -4.8697 -4.8697 -4.6529 -4.6529 -4.5142 -4.5142 1.8876 1.8876 2.3197 2.3197 2.4308 2.4308 2.7146 2.7146 3.2183 3.2183 3.3457 3.3457 3.5682 3.5682 4.0379 4.0379 4.2091 4.2091 4.7856 4.7856 5.0156 5.0156 5.1480 5.1480 5.9918 5.9918 6.1253 6.1253 8.9820 8.9820 9.9244 9.9244 10.4045 10.4045 11.1694 11.1694 11.3366 11.3366 k = 0.3256-0.6971-0.4157 ( 5513 PWs) bands (ev): -20.1630 -20.1630 -20.1588 -20.1588 -10.9438 -10.9438 -10.7082 -10.7082 -9.1860 -9.1860 -6.8006 -6.8006 -6.6292 -6.6292 -4.9520 -4.9520 -4.8769 -4.8769 -4.6566 -4.6566 -4.5154 -4.5154 1.8853 1.8853 2.3250 2.3250 2.4201 2.4201 2.7100 2.7100 3.2241 3.2241 3.3584 3.3584 3.5590 3.5590 4.0576 4.0576 4.2249 4.2249 4.7860 4.7860 5.0287 5.0287 5.1692 5.1692 6.0000 6.0000 6.1369 6.1369 8.9537 8.9537 9.9123 9.9123 10.4158 10.4158 11.1581 11.1581 11.3204 11.3204 k = 0.3372-0.7220-0.4305 ( 5513 PWs) bands (ev): -20.1600 -20.1600 -20.1560 -20.1560 -10.9551 -10.9551 -10.7210 -10.7210 -9.1813 -9.1813 -6.7994 -6.7994 -6.6346 -6.6346 -4.9538 -4.9538 -4.8835 -4.8835 -4.6605 -4.6605 -4.5166 -4.5166 1.8823 1.8823 2.3256 2.3256 2.4153 2.4153 2.7056 2.7056 3.2306 3.2306 3.3706 3.3706 3.5495 3.5495 4.0764 4.0764 4.2404 4.2404 4.7861 4.7861 5.0391 5.0391 5.1928 5.1928 6.0085 6.0085 6.1483 6.1483 8.9230 8.9230 9.9015 9.9015 10.4281 10.4281 11.1451 11.1451 11.2989 11.2989 k = 0.3488-0.7469-0.4454 ( 5510 PWs) bands (ev): -20.1570 -20.1570 -20.1534 -20.1534 -10.9658 -10.9658 -10.7332 -10.7332 -9.1766 -9.1766 -6.7979 -6.7979 -6.6402 -6.6402 -4.9556 -4.9556 -4.8895 -4.8895 -4.6645 -4.6645 -4.5180 -4.5180 1.8788 1.8788 2.3212 2.3212 2.4168 2.4168 2.7013 2.7013 3.2376 3.2376 3.3821 3.3821 3.5400 3.5400 4.0941 4.0941 4.2553 4.2553 4.7859 4.7859 5.0472 5.0472 5.2180 5.2180 6.0171 6.0171 6.1594 6.1594 8.8909 8.8909 9.8919 9.8919 10.4414 10.4414 11.1300 11.1300 11.2724 11.2724 k = 0.3605-0.7718-0.4602 ( 5515 PWs) bands (ev): -20.1543 -20.1543 -20.1508 -20.1508 -10.9760 -10.9760 -10.7449 -10.7449 -9.1721 -9.1721 -6.7961 -6.7961 -6.6459 -6.6459 -4.9572 -4.9572 -4.8949 -4.8949 -4.6686 -4.6686 -4.5193 -4.5193 1.8748 1.8748 2.3131 2.3131 2.4232 2.4232 2.6973 2.6973 3.2450 3.2450 3.3930 3.3930 3.5304 3.5304 4.1106 4.1106 4.2696 4.2696 4.7854 4.7854 5.0538 5.0538 5.2438 5.2438 6.0260 6.0260 6.1700 6.1700 8.8580 8.8580 9.8833 9.8833 10.4555 10.4555 11.1126 11.1126 11.2415 11.2415 k = 0.3721-0.7966-0.4751 ( 5507 PWs) bands (ev): -20.1516 -20.1516 -20.1484 -20.1484 -10.9856 -10.9856 -10.7559 -10.7559 -9.1678 -9.1678 -6.7942 -6.7942 -6.6516 -6.6516 -4.9589 -4.9589 -4.8994 -4.8994 -4.6728 -4.6728 -4.5207 -4.5207 1.8705 1.8705 2.3034 2.3034 2.4322 2.4322 2.6934 2.6934 3.2528 3.2528 3.4033 3.4033 3.5208 3.5208 4.1259 4.1259 4.2831 4.2831 4.7848 4.7848 5.0592 5.0592 5.2696 5.2696 6.0348 6.0348 6.1801 6.1801 8.8252 8.8252 9.8755 9.8755 10.4706 10.4706 11.0929 11.0929 11.2070 11.2070 k = 0.3837-0.8215-0.4899 ( 5513 PWs) bands (ev): -20.1492 -20.1492 -20.1462 -20.1462 -10.9945 -10.9945 -10.7661 -10.7661 -9.1637 -9.1637 -6.7919 -6.7919 -6.6574 -6.6574 -4.9607 -4.9607 -4.9032 -4.9032 -4.6770 -4.6770 -4.5220 -4.5220 1.8658 1.8658 2.2934 2.2934 2.4424 2.4424 2.6899 2.6899 3.2608 3.2608 3.4127 3.4127 3.5114 3.5114 4.1399 4.1399 4.2957 4.2957 4.7841 4.7841 5.0637 5.0637 5.2947 5.2947 6.0437 6.0437 6.1897 6.1897 8.7931 8.7931 9.8682 9.8682 10.4868 10.4868 11.0713 11.0713 11.1697 11.1697 k = 0.3953-0.8464-0.5048 ( 5515 PWs) bands (ev): -20.1469 -20.1469 -20.1442 -20.1442 -11.0027 -11.0027 -10.7756 -10.7756 -9.1599 -9.1599 -6.7896 -6.7896 -6.6631 -6.6631 -4.9626 -4.9626 -4.9062 -4.9062 -4.6812 -4.6812 -4.5232 -4.5232 1.8611 1.8611 2.2838 2.2838 2.4529 2.4529 2.6867 2.6867 3.2689 3.2689 3.4214 3.4214 3.5023 3.5023 4.1525 4.1525 4.3074 4.3074 4.7833 4.7833 5.0675 5.0675 5.3186 5.3186 6.0524 6.0524 6.1986 6.1986 8.7624 8.7624 9.8615 9.8615 10.5041 10.5041 11.0485 11.0485 11.1304 11.1304 k = 0.4070-0.8713-0.5196 ( 5516 PWs) bands (ev): -20.1448 -20.1448 -20.1423 -20.1423 -11.0101 -11.0101 -10.7842 -10.7842 -9.1564 -9.1564 -6.7871 -6.7871 -6.6686 -6.6686 -4.9645 -4.9645 -4.9084 -4.9084 -4.6852 -4.6852 -4.5243 -4.5243 1.8563 1.8563 2.2750 2.2750 2.4632 2.4632 2.6838 2.6838 3.2769 3.2769 3.4293 3.4293 3.4935 3.4935 4.1637 4.1637 4.3180 4.3180 4.7825 4.7825 5.0707 5.0707 5.3410 5.3410 6.0609 6.0609 6.2068 6.2068 8.7335 8.7335 9.8552 9.8552 10.5227 10.5227 11.0249 11.0249 11.0902 11.0902 k = 0.4186-0.8962-0.5344 ( 5513 PWs) bands (ev): -20.1429 -20.1429 -20.1407 -20.1407 -11.0168 -11.0168 -10.7919 -10.7919 -9.1532 -9.1532 -6.7845 -6.7845 -6.6740 -6.6740 -4.9664 -4.9664 -4.9101 -4.9101 -4.6891 -4.6891 -4.5253 -4.5253 1.8517 1.8517 2.2671 2.2671 2.4728 2.4728 2.6812 2.6812 3.2847 3.2847 3.4362 3.4362 3.4852 3.4852 4.1735 4.1735 4.3276 4.3276 4.7818 4.7818 5.0734 5.0734 5.3616 5.3616 6.0688 6.0688 6.2142 6.2142 8.7069 8.7069 9.8493 9.8493 10.5428 10.5428 11.0005 11.0005 11.0507 11.0507 k = 0.4302-0.9211-0.5493 ( 5515 PWs) bands (ev): -20.1413 -20.1413 -20.1392 -20.1392 -11.0226 -11.0226 -10.7986 -10.7986 -9.1504 -9.1504 -6.7820 -6.7820 -6.6790 -6.6790 -4.9683 -4.9683 -4.9111 -4.9111 -4.6926 -4.6926 -4.5261 -4.5261 1.8473 1.8473 2.2604 2.2604 2.4815 2.4815 2.6791 2.6791 3.2921 3.2921 3.4422 3.4422 3.4776 3.4776 4.1820 4.1820 4.3360 4.3360 4.7810 4.7810 5.0757 5.0757 5.3799 5.3799 6.0762 6.0762 6.2207 6.2207 8.6830 8.6830 9.8440 9.8440 10.5644 10.5644 10.9736 10.9736 11.0151 11.0151 k = 0.4419-0.9460-0.5641 ( 5511 PWs) bands (ev): -20.1398 -20.1398 -20.1380 -20.1380 -11.0276 -11.0276 -10.8044 -10.8044 -9.1479 -9.1479 -6.7795 -6.7795 -6.6836 -6.6836 -4.9700 -4.9700 -4.9118 -4.9118 -4.6958 -4.6958 -4.5268 -4.5268 1.8434 1.8434 2.2548 2.2548 2.4891 2.4891 2.6772 2.6772 3.2989 3.2989 3.4472 3.4472 3.4709 3.4709 4.1891 4.1891 4.3432 4.3432 4.7804 4.7804 5.0775 5.0775 5.3958 5.3958 6.0829 6.0829 6.2264 6.2264 8.6622 8.6622 9.8393 9.8393 10.5876 10.5876 10.9413 10.9413 10.9874 10.9874 k = 0.4535-0.9709-0.5790 ( 5517 PWs) bands (ev): -20.1386 -20.1386 -20.1370 -20.1370 -11.0317 -11.0317 -10.8092 -10.8092 -9.1459 -9.1459 -6.7772 -6.7772 -6.6876 -6.6876 -4.9715 -4.9715 -4.9121 -4.9121 -4.6986 -4.6986 -4.5274 -4.5274 1.8400 1.8400 2.2502 2.2502 2.4955 2.4955 2.6758 2.6758 3.3048 3.3048 3.4509 3.4509 3.4654 3.4654 4.1948 4.1948 4.3492 4.3492 4.7798 4.7798 5.0790 5.0790 5.4091 5.4091 6.0885 6.0885 6.2311 6.2311 8.6448 8.6448 9.8353 9.8353 10.6124 10.6124 10.9045 10.9045 10.9678 10.9678 k = 0.4651-0.9958-0.5938 ( 5517 PWs) bands (ev): -20.1377 -20.1377 -20.1362 -20.1362 -11.0349 -11.0349 -10.8130 -10.8130 -9.1443 -9.1443 -6.7752 -6.7752 -6.6910 -6.6910 -4.9728 -4.9728 -4.9122 -4.9122 -4.7008 -4.7008 -4.5279 -4.5279 1.8373 1.8373 2.2467 2.2467 2.5006 2.5006 2.6747 2.6747 3.3098 3.3098 3.4527 3.4527 3.4620 3.4620 4.1993 4.1993 4.3538 4.3538 4.7793 4.7793 5.0802 5.0802 5.4197 5.4197 6.0931 6.0931 6.2348 6.2348 8.6310 8.6310 9.8320 9.8320 10.6385 10.6385 10.8669 10.8669 10.9539 10.9539 k = 0.4767-1.0207-0.6087 ( 5517 PWs) bands (ev): -20.1370 -20.1370 -20.1357 -20.1357 -11.0372 -11.0372 -10.8157 -10.8157 -9.1431 -9.1431 -6.7737 -6.7737 -6.6936 -6.6936 -4.9738 -4.9738 -4.9123 -4.9123 -4.7024 -4.7024 -4.5282 -4.5282 1.8352 1.8352 2.2442 2.2442 2.5042 2.5042 2.6739 2.6739 3.3136 3.3136 3.4520 3.4520 3.4614 3.4614 4.2024 4.2024 4.3572 4.3572 4.7790 4.7790 5.0810 5.0810 5.4273 5.4273 6.0965 6.0965 6.2374 6.2374 8.6210 8.6210 9.8297 9.8297 10.6651 10.6651 10.8312 10.8312 10.9444 10.9444 k = 0.4884-1.0456-0.6235 ( 5528 PWs) bands (ev): -20.1366 -20.1366 -20.1353 -20.1353 -11.0386 -11.0386 -10.8173 -10.8173 -9.1424 -9.1424 -6.7727 -6.7727 -6.6951 -6.6951 -4.9743 -4.9743 -4.9123 -4.9123 -4.7035 -4.7035 -4.5284 -4.5284 1.8340 1.8340 2.2427 2.2427 2.5064 2.5064 2.6734 2.6734 3.3159 3.3159 3.4506 3.4506 3.4619 3.4619 4.2043 4.2043 4.3592 4.3592 4.7787 4.7787 5.0815 5.0815 5.4318 5.4318 6.0986 6.0986 6.2390 6.2390 8.6149 8.6149 9.8282 9.8282 10.6892 10.6892 10.8014 10.8014 10.9387 10.9387 k = 0.5000-1.0705-0.6384 ( 5526 PWs) bands (ev): -20.1365 -20.1365 -20.1352 -20.1352 -11.0391 -11.0391 -10.8178 -10.8178 -9.1422 -9.1422 -6.7723 -6.7723 -6.6957 -6.6957 -4.9745 -4.9745 -4.9123 -4.9123 -4.7038 -4.7038 -4.5285 -4.5285 1.8335 1.8335 2.2422 2.2422 2.5071 2.5071 2.6733 2.6733 3.3167 3.3167 3.4500 3.4500 3.4622 3.4622 4.2050 4.2050 4.3599 4.3599 4.7787 4.7787 5.0816 5.0816 5.4334 5.4334 6.0993 6.0993 6.2396 6.2396 8.6129 8.6129 9.8277 9.8277 10.7009 10.7009 10.7877 10.7877 10.9369 10.9369 k = 0.5000-1.0705-0.6384 ( 5526 PWs) bands (ev): -20.1365 -20.1365 -20.1352 -20.1352 -11.0391 -11.0391 -10.8178 -10.8178 -9.1422 -9.1422 -6.7723 -6.7723 -6.6957 -6.6957 -4.9745 -4.9745 -4.9123 -4.9123 -4.7038 -4.7038 -4.5285 -4.5285 1.8335 1.8335 2.2422 2.2422 2.5071 2.5071 2.6733 2.6733 3.3167 3.3167 3.4500 3.4500 3.4622 3.4622 4.2050 4.2050 4.3599 4.3599 4.7787 4.7787 5.0816 5.0816 5.4334 5.4334 6.0993 6.0993 6.2396 6.2396 8.6129 8.6129 9.8277 9.8277 10.7009 10.7009 10.7877 10.7877 10.9369 10.9369 k = 0.5000-1.0549-0.6645 ( 5526 PWs) bands (ev): -20.1364 -20.1364 -20.1352 -20.1352 -11.0392 -11.0392 -10.8179 -10.8179 -9.1423 -9.1423 -6.7750 -6.7750 -6.6931 -6.6931 -4.9755 -4.9755 -4.9123 -4.9123 -4.7050 -4.7050 -4.5264 -4.5264 1.8342 1.8342 2.2425 2.2425 2.5066 2.5066 2.6728 2.6728 3.3166 3.3166 3.4482 3.4482 3.4643 3.4643 4.2049 4.2049 4.3601 4.3601 4.7790 4.7790 5.0816 5.0816 5.4335 5.4335 6.0994 6.0994 6.2394 6.2394 8.6142 8.6142 9.8297 9.8297 10.6951 10.6951 10.7879 10.7879 10.9348 10.9348 k = 0.5000-1.0394-0.6906 ( 5526 PWs) bands (ev): -20.1363 -20.1363 -20.1351 -20.1351 -11.0396 -11.0396 -10.8181 -10.8181 -9.1425 -9.1425 -6.7820 -6.7820 -6.6862 -6.6862 -4.9783 -4.9783 -4.9125 -4.9125 -4.7082 -4.7082 -4.5205 -4.5205 1.8363 1.8363 2.2432 2.2432 2.5051 2.5051 2.6715 2.6715 3.3164 3.3164 3.4441 3.4441 3.4692 3.4692 4.2049 4.2049 4.3608 4.3608 4.7801 4.7801 5.0815 5.0815 5.4337 5.4337 6.0999 6.0999 6.2389 6.2389 8.6181 8.6181 9.8358 9.8358 10.6774 10.6774 10.7884 10.7884 10.9292 10.9292 k = 0.5000-1.0238-0.7167 ( 5514 PWs) bands (ev): -20.1361 -20.1361 -20.1349 -20.1349 -11.0403 -11.0403 -10.8184 -10.8184 -9.1428 -9.1428 -6.7917 -6.7917 -6.6767 -6.6767 -4.9826 -4.9826 -4.9131 -4.9131 -4.7127 -4.7127 -4.5114 -4.5114 1.8396 1.8396 2.2444 2.2444 2.5026 2.5026 2.6692 2.6692 3.3161 3.3161 3.4391 3.4391 3.4758 3.4758 4.2049 4.2049 4.3620 4.3620 4.7818 4.7818 5.0813 5.0813 5.4340 5.4340 6.1006 6.1006 6.2381 6.2381 8.6246 8.6246 9.8458 9.8458 10.6479 10.6479 10.7891 10.7891 10.9220 10.9220 k = 0.5000-1.0083-0.7427 ( 5520 PWs) bands (ev): -20.1358 -20.1358 -20.1346 -20.1346 -11.0413 -11.0413 -10.8188 -10.8188 -9.1432 -9.1432 -6.8029 -6.8029 -6.6658 -6.6658 -4.9883 -4.9883 -4.9144 -4.9144 -4.7177 -4.7177 -4.5000 -4.5000 1.8443 1.8443 2.2460 2.2460 2.4991 2.4991 2.6660 2.6660 3.3157 3.3157 3.4332 3.4332 3.4839 3.4839 4.2048 4.2048 4.3636 4.3636 4.7842 4.7842 5.0809 5.0809 5.4345 5.4345 6.1017 6.1017 6.2370 6.2370 8.6336 8.6336 9.8597 9.8597 10.6073 10.6073 10.7901 10.7901 10.9149 10.9149 k = 0.5000-0.9927-0.7688 ( 5524 PWs) bands (ev): -20.1355 -20.1355 -20.1343 -20.1343 -11.0425 -11.0425 -10.8194 -10.8194 -9.1437 -9.1437 -6.8149 -6.8149 -6.6542 -6.6542 -4.9951 -4.9951 -4.9168 -4.9168 -4.7224 -4.7224 -4.4869 -4.4869 1.8501 1.8501 2.2481 2.2481 2.4948 2.4948 2.6619 2.6619 3.3152 3.3152 3.4265 3.4265 3.4935 3.4935 4.2046 4.2046 4.3654 4.3654 4.7873 4.7873 5.0806 5.0806 5.4351 5.4351 6.1030 6.1030 6.2356 6.2356 8.6451 8.6451 9.8772 9.8772 10.5571 10.5571 10.7914 10.7914 10.9088 10.9088 k = 0.5000-0.9771-0.7949 ( 5520 PWs) bands (ev): -20.1351 -20.1351 -20.1339 -20.1339 -11.0439 -11.0439 -10.8200 -10.8200 -9.1444 -9.1444 -6.8272 -6.8272 -6.6424 -6.6424 -5.0028 -5.0028 -4.9204 -4.9204 -4.7261 -4.7261 -4.4729 -4.4729 1.8572 1.8572 2.2506 2.2506 2.4898 2.4898 2.6567 2.6567 3.3147 3.3147 3.4193 3.4193 3.5046 3.5046 4.2043 4.2043 4.3675 4.3675 4.7909 4.7909 5.0802 5.0802 5.4358 5.4358 6.1047 6.1047 6.2340 6.2340 8.6590 8.6590 9.8982 9.8982 10.4988 10.4988 10.7929 10.7929 10.9039 10.9039 k = 0.5000-0.9616-0.8210 ( 5522 PWs) bands (ev): -20.1346 -20.1346 -20.1334 -20.1334 -11.0456 -11.0456 -10.8208 -10.8208 -9.1451 -9.1451 -6.8395 -6.8395 -6.6306 -6.6306 -5.0113 -5.0113 -4.9252 -4.9252 -4.7286 -4.7286 -4.4583 -4.4583 1.8654 1.8654 2.2536 2.2536 2.4841 2.4841 2.6504 2.6504 3.3141 3.3141 3.4116 3.4116 3.5172 3.5172 4.2038 4.2038 4.3695 4.3695 4.7951 4.7951 5.0797 5.0797 5.4368 5.4368 6.1067 6.1067 6.2322 6.2322 8.6752 8.6752 9.9223 9.9223 10.4345 10.4345 10.7947 10.7947 10.9000 10.9000 k = 0.5000-0.9460-0.8471 ( 5520 PWs) bands (ev): -20.1341 -20.1341 -20.1329 -20.1329 -11.0474 -11.0474 -10.8217 -10.8217 -9.1458 -9.1458 -6.8517 -6.8517 -6.6190 -6.6190 -5.0203 -5.0203 -4.9311 -4.9311 -4.7298 -4.7298 -4.4435 -4.4435 1.8745 1.8745 2.2569 2.2569 2.4780 2.4780 2.6431 2.6431 3.3137 3.3137 3.4036 3.4036 3.5310 3.5310 4.2032 4.2032 4.3715 4.3715 4.7998 4.7998 5.0793 5.0793 5.4379 5.4379 6.1090 6.1090 6.2302 6.2302 8.6936 8.6936 9.9493 9.9493 10.3657 10.3657 10.7971 10.7971 10.8970 10.8970 k = 0.5000-0.9304-0.8732 ( 5514 PWs) bands (ev): -20.1335 -20.1335 -20.1324 -20.1324 -11.0494 -11.0494 -10.8227 -10.8227 -9.1466 -9.1466 -6.8636 -6.8636 -6.6077 -6.6077 -5.0298 -5.0298 -4.9378 -4.9378 -4.7297 -4.7297 -4.4290 -4.4290 1.8846 1.8846 2.2606 2.2606 2.4714 2.4714 2.6346 2.6346 3.3133 3.3133 3.3954 3.3954 3.5461 3.5461 4.2024 4.2024 4.3732 4.3732 4.8048 4.8048 5.0789 5.0789 5.4391 5.4391 6.1116 6.1116 6.2282 6.2282 8.7141 8.7141 9.9787 9.9787 10.2938 10.2938 10.8000 10.8000 10.8946 10.8946 k = 0.5000-0.9149-0.8993 ( 5504 PWs) bands (ev): -20.1328 -20.1328 -20.1318 -20.1318 -11.0516 -11.0516 -10.8239 -10.8239 -9.1475 -9.1475 -6.8752 -6.8752 -6.5968 -6.5968 -5.0398 -5.0398 -4.9449 -4.9449 -4.7284 -4.7284 -4.4148 -4.4148 1.8954 1.8954 2.2646 2.2646 2.4646 2.4646 2.6249 2.6249 3.3131 3.3131 3.3874 3.3874 3.5623 3.5623 4.2014 4.2014 4.3745 4.3745 4.8102 4.8102 5.0785 5.0785 5.4406 5.4406 6.1145 6.1145 6.2260 6.2260 8.7365 8.7365 10.0102 10.0102 10.2199 10.2199 10.8037 10.8037 10.8926 10.8926 k = 0.5000-0.8993-0.9254 ( 5502 PWs) bands (ev): -20.1322 -20.1322 -20.1311 -20.1311 -11.0539 -11.0539 -10.8251 -10.8251 -9.1483 -9.1483 -6.8862 -6.8862 -6.5864 -6.5864 -5.0500 -5.0500 -4.9523 -4.9523 -4.7264 -4.7264 -4.4011 -4.4011 1.9069 1.9069 2.2689 2.2689 2.4578 2.4578 2.6139 2.6139 3.3131 3.3131 3.3797 3.3797 3.5793 3.5793 4.2002 4.2002 4.3753 4.3753 4.8158 4.8158 5.0782 5.0782 5.4423 5.4423 6.1177 6.1177 6.2238 6.2238 8.7607 8.7607 10.0431 10.0431 10.1451 10.1451 10.8086 10.8086 10.8910 10.8910 k = 0.5000-0.8838-0.9515 ( 5504 PWs) bands (ev): -20.1314 -20.1314 -20.1305 -20.1305 -11.0563 -11.0563 -10.8264 -10.8264 -9.1491 -9.1491 -6.8968 -6.8968 -6.5765 -6.5765 -5.0604 -5.0604 -4.9596 -4.9596 -4.7236 -4.7236 -4.3881 -4.3881 1.9189 1.9189 2.2735 2.2735 2.4510 2.4510 2.6018 2.6018 3.3133 3.3133 3.3725 3.3725 3.5971 3.5971 4.1989 4.1989 4.3753 4.3753 4.8215 4.8215 5.0780 5.0780 5.4443 5.4443 6.1211 6.1211 6.2216 6.2216 8.7866 8.7866 10.0672 10.0672 10.0797 10.0797 10.8150 10.8150 10.8897 10.8897 k = 0.5000-0.8682-0.9776 ( 5504 PWs) bands (ev): -20.1307 -20.1307 -20.1298 -20.1298 -11.0588 -11.0588 -10.8278 -10.8278 -9.1499 -9.1499 -6.9068 -6.9068 -6.5672 -6.5672 -5.0707 -5.0707 -4.9667 -4.9667 -4.7204 -4.7204 -4.3760 -4.3760 1.9313 1.9313 2.2784 2.2784 2.4443 2.4443 2.5885 2.5885 3.3139 3.3139 3.3660 3.3660 3.6153 3.6153 4.1976 4.1976 4.3746 4.3746 4.8272 4.8272 5.0780 5.0780 5.4464 5.4464 6.1248 6.1248 6.2194 6.2194 8.8140 8.8140 9.9944 9.9944 10.1121 10.1121 10.8233 10.8233 10.8887 10.8887 k = 0.5000-0.8526-1.0037 ( 5506 PWs) bands (ev): -20.1300 -20.1300 -20.1291 -20.1291 -11.0613 -11.0613 -10.8292 -10.8292 -9.1507 -9.1507 -6.9161 -6.9161 -6.5586 -6.5586 -5.0810 -5.0810 -4.9733 -4.9733 -4.7170 -4.7170 -4.3647 -4.3647 1.9438 1.9438 2.2835 2.2835 2.4380 2.4380 2.5741 2.5741 3.3148 3.3148 3.3602 3.3602 3.6337 3.6337 4.1962 4.1962 4.3730 4.3730 4.8328 4.8328 5.0781 5.0781 5.4488 5.4488 6.1288 6.1288 6.2173 6.2173 8.8428 8.8428 9.9204 9.9204 10.1464 10.1464 10.8339 10.8339 10.8881 10.8881 k = 0.5000-0.8371-1.0298 ( 5512 PWs) bands (ev): -20.1293 -20.1293 -20.1285 -20.1285 -11.0638 -11.0638 -10.8307 -10.8307 -9.1514 -9.1514 -6.9248 -6.9248 -6.5506 -6.5506 -5.0910 -5.0910 -4.9795 -4.9795 -4.7135 -4.7135 -4.3544 -4.3544 1.9563 1.9563 2.2888 2.2888 2.4321 2.4321 2.5586 2.5586 3.3161 3.3161 3.3553 3.3553 3.6520 3.6520 4.1949 4.1949 4.3704 4.3704 4.8381 4.8381 5.0783 5.0783 5.4514 5.4514 6.1329 6.1329 6.2153 6.2153 8.8728 8.8728 9.8477 9.8477 10.1800 10.1800 10.8472 10.8472 10.8881 10.8881 k = 0.5000-0.8215-1.0559 ( 5514 PWs) bands (ev): -20.1285 -20.1285 -20.1278 -20.1278 -11.0662 -11.0662 -10.8322 -10.8322 -9.1520 -9.1520 -6.9327 -6.9327 -6.5433 -6.5433 -5.1005 -5.1005 -4.9851 -4.9851 -4.7100 -4.7100 -4.3450 -4.3450 1.9685 1.9685 2.2944 2.2944 2.4267 2.4267 2.5423 2.5423 3.3178 3.3178 3.3514 3.3514 3.6700 3.6700 4.1938 4.1938 4.3667 4.3667 4.8431 4.8431 5.0787 5.0787 5.4541 5.4541 6.1373 6.1373 6.2134 6.2134 8.9038 8.9038 9.7768 9.7768 10.2126 10.2126 10.8630 10.8630 10.8891 10.8891 k = 0.5000-0.8060-1.0820 ( 5514 PWs) bands (ev): -20.1279 -20.1279 -20.1272 -20.1272 -11.0686 -11.0686 -10.8337 -10.8337 -9.1526 -9.1526 -6.9399 -6.9399 -6.5367 -6.5367 -5.1094 -5.1094 -4.9902 -4.9902 -4.7066 -4.7066 -4.3367 -4.3367 1.9804 1.9804 2.3001 2.3001 2.4218 2.4218 2.5253 2.5253 3.3198 3.3198 3.3484 3.3484 3.6875 3.6875 4.1931 4.1931 4.3620 4.3620 4.8477 4.8477 5.0792 5.0792 5.4571 5.4571 6.1417 6.1417 6.2116 6.2116 8.9357 8.9357 9.7080 9.7080 10.2438 10.2438 10.8787 10.8787 10.8942 10.8942 k = 0.5000-0.7904-1.1081 ( 5518 PWs) bands (ev): -20.1272 -20.1272 -20.1266 -20.1266 -11.0708 -11.0708 -10.8351 -10.8351 -9.1530 -9.1530 -6.9463 -6.9463 -6.5308 -6.5308 -5.1176 -5.1176 -4.9947 -4.9947 -4.7034 -4.7034 -4.3293 -4.3293 1.9918 1.9918 2.3060 2.3060 2.4175 2.4175 2.5079 2.5079 3.3222 3.3222 3.3466 3.3466 3.7041 3.7041 4.1927 4.1927 4.3561 4.3561 4.8518 4.8518 5.0798 5.0798 5.4601 5.4601 6.1462 6.1462 6.2100 6.2100 8.9684 8.9684 9.6416 9.6416 10.2733 10.2733 10.8855 10.8855 10.9123 10.9123 k = 0.5000-0.7748-1.1342 ( 5512 PWs) bands (ev): -20.1266 -20.1266 -20.1260 -20.1260 -11.0729 -11.0729 -10.8365 -10.8365 -9.1534 -9.1534 -6.9519 -6.9519 -6.5258 -6.5258 -5.1250 -5.1250 -4.9985 -4.9985 -4.7006 -4.7006 -4.3230 -4.3230 2.0024 2.0024 2.3121 2.3121 2.4138 2.4138 2.4903 2.4903 3.3248 3.3248 3.3459 3.3459 3.7195 3.7195 4.1929 4.1929 4.3491 4.3491 4.8554 4.8554 5.0806 5.0806 5.4632 5.4632 6.1506 6.1506 6.2086 6.2086 9.0017 9.0017 9.5780 9.5780 10.3012 10.3012 10.8883 10.8883 10.9383 10.9383 k = 0.5000-0.7593-1.1603 ( 5508 PWs) bands (ev): -20.1260 -20.1260 -20.1255 -20.1255 -11.0748 -11.0748 -10.8378 -10.8378 -9.1537 -9.1537 -6.9566 -6.9566 -6.5214 -6.5214 -5.1315 -5.1315 -5.0018 -5.0018 -4.6981 -4.6981 -4.3177 -4.3177 2.0121 2.0121 2.3181 2.3181 2.4106 2.4106 2.4731 2.4731 3.3273 3.3273 3.3465 3.3465 3.7335 3.7335 4.1936 4.1936 4.3410 4.3410 4.8584 4.8584 5.0814 5.0814 5.4662 5.4662 6.1549 6.1549 6.2075 6.2075 9.0355 9.0355 9.5174 9.5174 10.3277 10.3277 10.8909 10.8909 10.9680 10.9681 k = 0.5000-0.7437-1.1864 ( 5508 PWs) bands (ev): -20.1255 -20.1255 -20.1251 -20.1251 -11.0765 -11.0765 -10.8390 -10.8390 -9.1539 -9.1539 -6.9606 -6.9606 -6.5179 -6.5179 -5.1370 -5.1370 -5.0046 -5.0046 -4.6960 -4.6960 -4.3134 -4.3134 2.0207 2.0207 2.3238 2.3238 2.4077 2.4077 2.4568 2.4568 3.3295 3.3295 3.3486 3.3486 3.7459 3.7459 4.1950 4.1950 4.3319 4.3319 4.8608 4.8608 5.0821 5.0821 5.4690 5.4690 6.1589 6.1589 6.2066 6.2066 9.0697 9.0697 9.4599 9.4599 10.3533 10.3533 10.8941 10.8941 11.0002 11.0002 k = 0.5000-0.7281-1.2125 ( 5504 PWs) bands (ev): -20.1251 -20.1251 -20.1248 -20.1248 -11.0778 -11.0778 -10.8400 -10.8400 -9.1540 -9.1540 -6.9637 -6.9637 -6.5151 -6.5151 -5.1413 -5.1413 -5.0067 -5.0067 -4.6944 -4.6944 -4.3100 -4.3100 2.0282 2.0282 2.3288 2.3288 2.4049 2.4049 2.4424 2.4424 3.3314 3.3314 3.3521 3.3521 3.7564 3.7564 4.1970 4.1970 4.3220 4.3220 4.8627 4.8627 5.0829 5.0829 5.4716 5.4716 6.1625 6.1625 6.2061 6.2061 9.1041 9.1041 9.4058 9.4058 10.3782 10.3782 10.8980 10.8980 11.0337 11.0337 k = 0.5000-0.7126-1.2386 ( 5508 PWs) bands (ev): -20.1247 -20.1247 -20.1245 -20.1245 -11.0789 -11.0789 -10.8408 -10.8408 -9.1541 -9.1541 -6.9659 -6.9659 -6.5131 -6.5131 -5.1446 -5.1446 -5.0083 -5.0083 -4.6932 -4.6932 -4.3075 -4.3075 2.0346 2.0346 2.3319 2.3319 2.4018 2.4018 2.4315 2.4315 3.3329 3.3329 3.3569 3.3569 3.7651 3.7651 4.1995 4.1995 4.3114 4.3114 4.8640 4.8640 5.0835 5.0835 5.4737 5.4737 6.1654 6.1654 6.2061 6.2061 9.1386 9.1386 9.3553 9.3553 10.4031 10.4031 10.9026 10.9026 11.0675 11.0675 k = 0.5000-0.6970-1.2647 ( 5502 PWs) bands (ev): -20.1245 -20.1245 -20.1244 -20.1244 -11.0797 -11.0797 -10.8413 -10.8413 -9.1542 -9.1542 -6.9674 -6.9674 -6.5118 -6.5118 -5.1467 -5.1467 -5.0093 -5.0093 -4.6925 -4.6925 -4.3059 -4.3059 2.0397 2.0397 2.3318 2.3318 2.3984 2.3984 2.4255 2.4255 3.3341 3.3341 3.3626 3.3626 3.7717 3.7717 4.2022 4.2022 4.3005 4.3005 4.8648 4.8648 5.0839 5.0839 5.4753 5.4753 6.1675 6.1675 6.2066 6.2066 9.1731 9.1731 9.3085 9.3085 10.4284 10.4284 10.9081 10.9081 11.1004 11.1004 k = 0.5000-0.6815-1.2907 ( 5510 PWs) bands (ev): -20.1243 -20.1243 -20.1243 -20.1243 -11.0800 -11.0800 -10.8415 -10.8415 -9.1542 -9.1542 -6.9680 -6.9680 -6.5113 -6.5113 -5.1476 -5.1476 -5.0098 -5.0098 -4.6922 -4.6922 -4.3052 -4.3052 2.0436 2.0436 2.3274 2.3274 2.3958 2.3958 2.4244 2.4244 3.3352 3.3352 3.3689 3.3689 3.7764 3.7764 4.2044 4.2044 4.2898 4.2898 4.8651 4.8651 5.0842 5.0842 5.4761 5.4761 6.1685 6.1685 6.2077 6.2077 9.2068 9.2068 9.2661 9.2661 10.4545 10.4545 10.9143 10.9143 11.1312 11.1312 k = 0.5000-0.6659-1.3168 ( 5522 PWs) bands (ev): -20.1244 -20.1244 -20.1243 -20.1243 -11.0800 -11.0800 -10.8414 -10.8414 -9.1542 -9.1542 -6.9679 -6.9679 -6.5114 -6.5114 -5.1473 -5.1473 -5.0098 -5.0098 -4.6925 -4.6925 -4.3051 -4.3051 2.0464 2.0464 2.3191 2.3191 2.3945 2.3945 2.4276 2.4276 3.3360 3.3360 3.3758 3.3758 3.7791 3.7791 4.2054 4.2054 4.2801 4.2801 4.8650 4.8650 5.0842 5.0842 5.4761 5.4761 6.1684 6.1684 6.2094 6.2094 9.2204 9.2204 9.2476 9.2476 10.4817 10.4817 10.9214 10.9214 11.1573 11.1573 k = 0.5000-0.6503-1.3429 ( 5512 PWs) bands (ev): -20.1246 -20.1246 -20.1244 -20.1244 -11.0795 -11.0795 -10.8409 -10.8409 -9.1542 -9.1542 -6.9669 -6.9669 -6.5122 -6.5122 -5.1458 -5.1458 -5.0092 -5.0092 -4.6932 -4.6932 -4.3058 -4.3058 2.0480 2.0480 2.3084 2.3084 2.3939 2.3939 2.4341 2.4341 3.3366 3.3366 3.3831 3.3831 3.7800 3.7800 4.2037 4.2037 4.2729 4.2729 4.8646 4.8646 5.0840 5.0840 5.4750 5.4750 6.1672 6.1672 6.2115 6.2115 9.1877 9.1877 9.2789 9.2789 10.5102 10.5102 10.9290 10.9290 11.1321 11.1321 k = 0.8222-0.5788-1.2105 ( 5512 PWs) bands (ev): -20.1246 -20.1246 -20.1244 -20.1244 -11.0795 -11.0795 -10.8409 -10.8409 -9.1542 -9.1542 -6.9669 -6.9669 -6.5122 -6.5122 -5.1458 -5.1458 -5.0092 -5.0092 -4.6932 -4.6932 -4.3058 -4.3058 2.0480 2.0480 2.3084 2.3084 2.3939 2.3939 2.4341 2.4341 3.3366 3.3366 3.3831 3.3831 3.7800 3.7800 4.2037 4.2037 4.2729 4.2729 4.8646 4.8646 5.0840 5.0840 5.4750 5.4750 6.1672 6.1672 6.2115 6.2115 9.1877 9.1877 9.2789 9.2789 10.5102 10.5102 10.9290 10.9290 11.1321 11.1321 k = 0.8155-0.5644-1.1839 ( 5504 PWs) bands (ev): -20.1249 -20.1249 -20.1246 -20.1246 -11.0785 -11.0785 -10.8400 -10.8400 -9.1543 -9.1543 -6.9652 -6.9652 -6.5136 -6.5136 -5.1430 -5.1430 -5.0082 -5.0082 -4.6945 -4.6945 -4.3072 -4.3072 2.0487 2.0487 2.2964 2.2964 2.3933 2.3933 2.4434 2.4434 3.3368 3.3368 3.3907 3.3907 3.7793 3.7793 4.1981 4.1981 4.2690 4.2690 4.8638 4.8638 5.0834 5.0834 5.4727 5.4727 6.1649 6.1649 6.2139 6.2139 9.1555 9.1555 9.3134 9.3134 10.5406 10.5406 10.9370 10.9370 11.0687 11.0687 k = 0.8088-0.5501-1.1573 ( 5502 PWs) bands (ev): -20.1254 -20.1254 -20.1250 -20.1250 -11.0770 -11.0770 -10.8386 -10.8386 -9.1544 -9.1544 -6.9627 -6.9627 -6.5156 -6.5156 -5.1391 -5.1391 -5.0066 -5.0066 -4.6961 -4.6961 -4.3093 -4.3093 2.0484 2.0484 2.2845 2.2845 2.3924 2.3924 2.4546 2.4546 3.3366 3.3366 3.3984 3.3984 3.7770 3.7770 4.1885 4.1885 4.2688 4.2688 4.8627 4.8627 5.0826 5.0826 5.4691 5.4691 6.1616 6.1616 6.2162 6.2162 9.1268 9.1268 9.3479 9.3479 10.5725 10.5725 10.9426 10.9426 11.0103 11.0103 k = 0.8021-0.5357-1.1307 ( 5504 PWs) bands (ev): -20.1260 -20.1260 -20.1256 -20.1256 -11.0749 -11.0749 -10.8367 -10.8367 -9.1546 -9.1546 -6.9595 -6.9595 -6.5182 -6.5182 -5.1340 -5.1340 -5.0045 -5.0045 -4.6982 -4.6982 -4.3118 -4.3118 2.0473 2.0473 2.2732 2.2732 2.3911 2.3911 2.4671 2.4671 3.3359 3.3359 3.4059 3.4059 3.7734 3.7734 4.1758 4.1758 4.2710 4.2710 4.8613 4.8613 5.0814 5.0814 5.4640 5.4640 6.1574 6.1574 6.2182 6.2182 9.1018 9.1018 9.3821 9.3821 10.6056 10.6056 10.9267 10.9267 10.9777 10.9777 k = 0.7953-0.5213-1.1041 ( 5504 PWs) bands (ev): -20.1268 -20.1268 -20.1262 -20.1262 -11.0722 -11.0722 -10.8342 -10.8342 -9.1550 -9.1550 -6.9556 -6.9556 -6.5212 -6.5212 -5.1278 -5.1278 -5.0019 -5.0019 -4.7007 -4.7007 -4.3150 -4.3150 2.0454 2.0454 2.2630 2.2630 2.3895 2.3895 2.4806 2.4806 3.3345 3.3345 3.4131 3.4131 3.7687 3.7687 4.1613 4.1613 4.2746 4.2746 4.8597 4.8597 5.0800 5.0800 5.4574 5.4574 6.1523 6.1523 6.2198 6.2198 9.0804 9.0804 9.4156 9.4156 10.6396 10.6396 10.8800 10.8800 10.9809 10.9809 k = 0.7886-0.5070-1.0775 ( 5504 PWs) bands (ev): -20.1278 -20.1278 -20.1271 -20.1271 -11.0690 -11.0690 -10.8311 -10.8311 -9.1555 -9.1555 -6.9511 -6.9511 -6.5246 -6.5246 -5.1205 -5.1205 -4.9989 -4.9989 -4.7035 -4.7035 -4.3185 -4.3185 2.0427 2.0427 2.2542 2.2542 2.3875 2.3875 2.4946 2.4946 3.3323 3.3323 3.4199 3.4199 3.7632 3.7632 4.1457 4.1457 4.2787 4.2787 4.8580 4.8580 5.0781 5.0781 5.4492 5.4492 6.1464 6.1464 6.2209 6.2209 9.0625 9.0625 9.4485 9.4485 10.6743 10.6743 10.8312 10.8312 10.9917 10.9917 k = 0.7819-0.4926-1.0509 ( 5502 PWs) bands (ev): -20.1289 -20.1289 -20.1281 -20.1281 -11.0651 -11.0651 -10.8274 -10.8274 -9.1562 -9.1562 -6.9461 -6.9461 -6.5284 -6.5284 -5.1123 -5.1123 -4.9954 -4.9954 -4.7065 -4.7065 -4.3226 -4.3226 2.0394 2.0394 2.2469 2.2469 2.3853 2.3853 2.5090 2.5090 3.3294 3.3294 3.4260 3.4260 3.7568 3.7568 4.1298 4.1298 4.2825 4.2825 4.8561 4.8561 5.0760 5.0760 5.4393 5.4393 6.1397 6.1397 6.2212 6.2212 9.0479 9.0479 9.4805 9.4805 10.7085 10.7085 10.7867 10.7867 11.0046 11.0046 k = 0.7752-0.4782-1.0243 ( 5504 PWs) bands (ev): -20.1302 -20.1302 -20.1293 -20.1293 -11.0607 -11.0607 -10.8231 -10.8231 -9.1571 -9.1571 -6.9405 -6.9405 -6.5325 -6.5325 -5.1033 -5.1033 -4.9914 -4.9914 -4.7098 -4.7098 -4.3270 -4.3270 2.0355 2.0355 2.2413 2.2413 2.3827 2.3827 2.5237 2.5237 3.3256 3.3256 3.4314 3.4314 3.7499 3.7499 4.1139 4.1139 4.2859 4.2859 4.8541 4.8541 5.0735 5.0735 5.4277 5.4277 6.1322 6.1322 6.2207 6.2207 9.0365 9.0365 9.5114 9.5114 10.7319 10.7319 10.7576 10.7576 11.0184 11.0184 k = 0.7685-0.4638-0.9977 ( 5500 PWs) bands (ev): -20.1317 -20.1317 -20.1306 -20.1306 -11.0555 -11.0555 -10.8181 -10.8181 -9.1582 -9.1582 -6.9344 -6.9344 -6.5368 -6.5368 -5.0935 -5.0935 -4.9869 -4.9869 -4.7132 -4.7132 -4.3317 -4.3317 2.0310 2.0310 2.2376 2.2376 2.3799 2.3799 2.5384 2.5384 3.3209 3.3209 3.4357 3.4357 3.7426 3.7426 4.0983 4.0983 4.2886 4.2886 4.8521 4.8521 5.0707 5.0707 5.4145 5.4145 6.1239 6.1239 6.2194 6.2194 9.0280 9.0280 9.5411 9.5411 10.7054 10.7054 10.7829 10.7829 11.0328 11.0328 k = 0.7618-0.4495-0.9711 ( 5492 PWs) bands (ev): -20.1333 -20.1333 -20.1321 -20.1321 -11.0498 -11.0498 -10.8124 -10.8124 -9.1596 -9.1596 -6.9279 -6.9279 -6.5413 -6.5413 -5.0831 -5.0831 -4.9820 -4.9820 -4.7166 -4.7166 -4.3368 -4.3368 2.0260 2.0260 2.2357 2.2357 2.3769 2.3769 2.5532 2.5532 3.3152 3.3152 3.4390 3.4390 3.7351 3.7351 4.0834 4.0834 4.2903 4.2903 4.8500 4.8500 5.0676 5.0676 5.3997 5.3997 6.1149 6.1149 6.2172 6.2172 9.0221 9.0221 9.5695 9.5695 10.6756 10.6756 10.8156 10.8156 11.0475 11.0475 k = 0.7551-0.4351-0.9445 ( 5490 PWs) bands (ev): -20.1352 -20.1352 -20.1338 -20.1338 -11.0434 -11.0434 -10.8060 -10.8060 -9.1612 -9.1612 -6.9211 -6.9211 -6.5458 -6.5458 -5.0722 -5.0722 -4.9765 -4.9765 -4.7200 -4.7200 -4.3421 -4.3421 2.0205 2.0205 2.2358 2.2358 2.3737 2.3737 2.5679 2.5679 3.3085 3.3085 3.4409 3.4409 3.7274 3.7274 4.0692 4.0692 4.2909 4.2909 4.8479 4.8479 5.0642 5.0642 5.3834 5.3834 6.1053 6.1053 6.2140 6.2140 9.0188 9.0188 9.5963 9.5963 10.6504 10.6504 10.8475 10.8475 11.0623 11.0623 k = 0.7484-0.4207-0.9180 ( 5498 PWs) bands (ev): -20.1371 -20.1371 -20.1357 -20.1357 -11.0363 -11.0363 -10.7989 -10.7989 -9.1631 -9.1631 -6.9141 -6.9141 -6.5503 -6.5503 -5.0610 -5.0610 -4.9705 -4.9705 -4.7232 -4.7232 -4.3477 -4.3477 2.0145 2.0145 2.2378 2.2378 2.3704 2.3704 2.5823 2.5823 3.3008 3.3008 3.4414 3.4414 3.7196 3.7196 4.0561 4.0561 4.2903 4.2903 4.8457 4.8457 5.0603 5.0603 5.3655 5.3655 6.0950 6.0950 6.2099 6.2099 9.0177 9.0177 9.6214 9.6214 10.6303 10.6303 10.8776 10.8776 11.0767 11.0767 k = 0.7416-0.4064-0.8914 ( 5500 PWs) bands (ev): -20.1393 -20.1393 -20.1377 -20.1377 -11.0287 -11.0287 -10.7911 -10.7911 -9.1652 -9.1652 -6.9068 -6.9068 -6.5548 -6.5548 -5.0497 -5.0497 -4.9638 -4.9638 -4.7263 -4.7263 -4.3535 -4.3535 2.0081 2.0081 2.2418 2.2418 2.3671 2.3671 2.5966 2.5966 3.2921 3.2921 3.4404 3.4404 3.7119 3.7119 4.0441 4.0441 4.2884 4.2884 4.8435 4.8435 5.0560 5.0560 5.3463 5.3463 6.0842 6.0842 6.2049 6.2049 9.0187 9.0187 9.6449 9.6449 10.6154 10.6154 10.9051 10.9051 11.0906 11.0906 k = 0.7349-0.3920-0.8648 ( 5502 PWs) bands (ev): -20.1416 -20.1416 -20.1399 -20.1399 -11.0204 -11.0204 -10.7826 -10.7826 -9.1677 -9.1677 -6.8994 -6.8994 -6.5592 -6.5592 -5.0384 -5.0384 -4.9565 -4.9565 -4.7290 -4.7290 -4.3596 -4.3596 2.0012 2.0012 2.2477 2.2477 2.3639 2.3639 2.6105 2.6105 3.2824 3.2824 3.4378 3.4378 3.7043 3.7043 4.0333 4.0333 4.2852 4.2852 4.8414 4.8414 5.0513 5.0513 5.3259 5.3259 6.0730 6.0730 6.1990 6.1990 9.0215 9.0215 9.6667 9.6667 10.6054 10.6054 10.9297 10.9297 11.1037 11.1037 k = 0.7282-0.3776-0.8382 ( 5506 PWs) bands (ev): -20.1440 -20.1440 -20.1422 -20.1422 -11.0115 -11.0115 -10.7734 -10.7734 -9.1703 -9.1703 -6.8919 -6.8919 -6.5633 -6.5633 -5.0275 -5.0275 -4.9485 -4.9485 -4.7312 -4.7312 -4.3658 -4.3658 1.9939 1.9939 2.2555 2.2555 2.3608 2.3608 2.6240 2.6240 3.2718 3.2718 3.4337 3.4337 3.6969 3.6969 4.0238 4.0238 4.2806 4.2806 4.8392 4.8392 5.0460 5.0460 5.3045 5.3045 6.0615 6.0615 6.1922 6.1922 9.0261 9.0261 9.6867 9.6867 10.6001 10.6001 10.9504 10.9504 11.1157 11.1157 k = 0.7215-0.3632-0.8116 ( 5498 PWs) bands (ev): -20.1466 -20.1466 -20.1446 -20.1446 -11.0021 -11.0021 -10.7635 -10.7635 -9.1733 -9.1733 -6.8845 -6.8845 -6.5673 -6.5673 -5.0171 -5.0171 -4.9396 -4.9396 -4.7330 -4.7330 -4.3723 -4.3723 1.9862 1.9862 2.2651 2.2651 2.3581 2.3581 2.6370 2.6370 3.2603 3.2603 3.4281 3.4281 3.6897 3.6897 4.0155 4.0155 4.2745 4.2745 4.8371 4.8371 5.0402 5.0402 5.2823 5.2823 6.0497 6.0497 6.1847 6.1847 9.0322 9.0322 9.7052 9.7052 10.5992 10.5992 10.9667 10.9667 11.1265 11.1265 k = 0.7148-0.3489-0.7850 ( 5498 PWs) bands (ev): -20.1493 -20.1493 -20.1472 -20.1472 -10.9921 -10.9921 -10.7530 -10.7530 -9.1765 -9.1765 -6.8771 -6.8771 -6.5709 -6.5709 -5.0073 -5.0073 -4.9299 -4.9299 -4.7341 -4.7341 -4.3789 -4.3789 1.9780 1.9780 2.2762 2.2762 2.3561 2.3561 2.6495 2.6495 3.2479 3.2479 3.4211 3.4211 3.6828 3.6828 4.0084 4.0084 4.2671 4.2671 4.8349 4.8349 5.0335 5.0335 5.2596 5.2596 6.0377 6.0377 6.1765 6.1765 9.0397 9.0397 9.7220 9.7220 10.6023 10.6023 10.9776 10.9776 11.1359 11.1359 k = 0.7081-0.3345-0.7584 ( 5502 PWs) bands (ev): -20.1522 -20.1522 -20.1500 -20.1500 -10.9816 -10.9816 -10.7418 -10.7418 -9.1799 -9.1799 -6.8699 -6.8699 -6.5743 -6.5743 -4.9983 -4.9983 -4.9195 -4.9195 -4.7345 -4.7345 -4.3857 -4.3857 1.9695 1.9695 2.2883 2.2883 2.3550 2.3550 2.6614 2.6614 3.2348 3.2348 3.4128 3.4128 3.6763 3.6763 4.0024 4.0024 4.2582 4.2582 4.8328 4.8328 5.0259 5.0259 5.2367 5.2367 6.0256 6.0256 6.1677 6.1677 9.0485 9.0485 9.7373 9.7373 10.6090 10.6090 10.9823 10.9823 11.1439 11.1439 k = 0.7014-0.3201-0.7318 ( 5504 PWs) bands (ev): -20.1552 -20.1552 -20.1528 -20.1528 -10.9706 -10.9706 -10.7301 -10.7301 -9.1835 -9.1835 -6.8629 -6.8629 -6.5772 -6.5772 -4.9901 -4.9901 -4.9084 -4.9084 -4.7341 -4.7341 -4.3926 -4.3926 1.9606 1.9606 2.3008 2.3008 2.3559 2.3559 2.6727 2.6727 3.2211 3.2211 3.4034 3.4034 3.6700 3.6700 3.9973 3.9973 4.2478 4.2478 4.8306 4.8306 5.0171 5.0171 5.2141 5.2141 6.0137 6.0137 6.1584 6.1584 9.0585 9.0585 9.7512 9.7512 10.6186 10.6186 10.9801 10.9801 11.1506 11.1506 k = 0.6947-0.3058-0.7052 ( 5502 PWs) bands (ev): -20.1583 -20.1583 -20.1558 -20.1558 -10.9591 -10.9591 -10.7179 -10.7179 -9.1873 -9.1873 -6.8562 -6.8562 -6.5798 -6.5798 -4.9826 -4.9826 -4.8967 -4.8967 -4.7328 -4.7328 -4.3997 -4.3997 1.9514 1.9514 2.3120 2.3120 2.3601 2.3601 2.6832 2.6832 3.2069 3.2069 3.3931 3.3931 3.6641 3.6641 3.9930 3.9930 4.2361 4.2361 4.8283 4.8283 5.0067 5.0067 5.1922 5.1922 6.0019 6.0019 6.1486 6.1486 9.0696 9.0696 9.7638 9.7638 10.6307 10.6307 10.9705 10.9705 11.1563 11.1563 k = 0.6879-0.2914-0.6786 ( 5502 PWs) bands (ev): -20.1614 -20.1614 -20.1588 -20.1588 -10.9472 -10.9472 -10.7052 -10.7052 -9.1912 -9.1912 -6.8497 -6.8497 -6.5820 -6.5820 -4.9758 -4.9758 -4.8848 -4.8848 -4.7307 -4.7307 -4.4069 -4.4069 1.9419 1.9419 2.3201 2.3201 2.3694 2.3694 2.6929 2.6929 3.1923 3.1923 3.3821 3.3821 3.6586 3.6586 3.9893 3.9893 4.2229 4.2229 4.8259 4.8259 4.9945 4.9945 5.1716 5.1716 5.9905 5.9905 6.1385 6.1385 9.0818 9.0818 9.7750 9.7750 10.6446 10.6446 10.9533 10.9533 11.1612 11.1612 k = 0.6812-0.2770-0.6520 ( 5502 PWs) bands (ev): -20.1647 -20.1647 -20.1619 -20.1619 -10.9350 -10.9350 -10.6920 -10.6920 -9.1953 -9.1953 -6.8436 -6.8436 -6.5838 -6.5838 -4.9696 -4.9696 -4.8727 -4.8727 -4.7276 -4.7276 -4.4143 -4.4143 1.9321 1.9321 2.3248 2.3248 2.3842 2.3842 2.7018 2.7018 3.1775 3.1775 3.3707 3.3707 3.6534 3.6534 3.9860 3.9860 4.2084 4.2084 4.8233 4.8233 4.9801 4.9801 5.1527 5.1527 5.9794 5.9794 6.1281 6.1281 9.0948 9.0948 9.7850 9.7850 10.6596 10.6596 10.9288 10.9288 11.1659 11.1659 k = 0.6745-0.2626-0.6254 ( 5506 PWs) bands (ev): -20.1680 -20.1680 -20.1651 -20.1651 -10.9225 -10.9225 -10.6785 -10.6785 -9.1995 -9.1995 -6.8378 -6.8378 -6.5852 -6.5852 -4.9638 -4.9638 -4.8607 -4.8607 -4.7236 -4.7236 -4.4218 -4.4218 1.9220 1.9220 2.3276 2.3276 2.4028 2.4028 2.7097 2.7097 3.1627 3.1627 3.3590 3.3590 3.6484 3.6484 3.9829 3.9829 4.1926 4.1926 4.8203 4.8203 4.9635 4.9635 5.1360 5.1360 5.9688 5.9688 6.1176 6.1176 9.1086 9.1086 9.7935 9.7935 10.6751 10.6751 10.8977 10.8977 11.1708 11.1708 k = 0.6678-0.2483-0.5988 ( 5502 PWs) bands (ev): -20.1714 -20.1714 -20.1684 -20.1684 -10.9097 -10.9097 -10.6647 -10.6647 -9.2037 -9.2037 -6.8323 -6.8323 -6.5863 -6.5863 -4.9583 -4.9583 -4.8489 -4.8489 -4.7187 -4.7187 -4.4294 -4.4294 1.9117 1.9117 2.3296 2.3296 2.4239 2.4239 2.7167 2.7167 3.1481 3.1481 3.3475 3.3475 3.6438 3.6438 3.9798 3.9798 4.1756 4.1756 4.8168 4.8168 4.9449 4.9449 5.1217 5.1217 5.9588 5.9588 6.1070 6.1070 9.1230 9.1230 9.8006 9.8006 10.6905 10.6905 10.8609 10.8609 11.1765 11.1765 k = 0.6611-0.2339-0.5722 ( 5498 PWs) bands (ev): -20.1748 -20.1748 -20.1717 -20.1717 -10.8967 -10.8967 -10.6506 -10.6506 -9.2080 -9.2080 -6.8271 -6.8271 -6.5871 -6.5871 -4.9531 -4.9531 -4.8373 -4.8373 -4.7130 -4.7130 -4.4372 -4.4372 1.9012 1.9012 2.3316 2.3316 2.4465 2.4465 2.7226 2.7226 3.1338 3.1338 3.3361 3.3361 3.6395 3.6395 3.9766 3.9766 4.1575 4.1575 4.8122 4.8122 4.9250 4.9250 5.1096 5.1096 5.9494 5.9494 6.0965 6.0965 9.1379 9.1379 9.8061 9.8061 10.7054 10.7054 10.8192 10.8192 11.1833 11.1833 k = 0.6544-0.2195-0.5456 ( 5502 PWs) bands (ev): -20.1782 -20.1782 -20.1750 -20.1750 -10.8836 -10.8836 -10.6364 -10.6364 -9.2122 -9.2122 -6.8222 -6.8222 -6.5877 -6.5877 -4.9479 -4.9479 -4.8261 -4.8261 -4.7067 -4.7067 -4.4451 -4.4451 1.8907 1.8907 2.3341 2.3341 2.4701 2.4701 2.7275 2.7275 3.1202 3.1202 3.3252 3.3252 3.6355 3.6355 3.9731 3.9731 4.1384 4.1384 4.8060 4.8060 4.9048 4.9048 5.0994 5.0994 5.9406 5.9406 6.0860 6.0860 9.1530 9.1530 9.8097 9.8097 10.7192 10.7192 10.7736 10.7736 11.1917 11.1917 k = 0.6477-0.2052-0.5190 ( 5500 PWs) bands (ev): -20.1816 -20.1816 -20.1783 -20.1783 -10.8704 -10.8704 -10.6220 -10.6220 -9.2164 -9.2164 -6.8176 -6.8176 -6.5881 -6.5881 -4.9428 -4.9428 -4.8152 -4.8152 -4.6997 -4.6997 -4.4532 -4.4532 1.8800 1.8800 2.3371 2.3371 2.4941 2.4941 2.7313 2.7313 3.1076 3.1076 3.3150 3.3150 3.6316 3.6316 3.9690 3.9690 4.1184 4.1184 4.7971 4.7971 4.8858 4.8858 5.0910 5.0910 5.9327 5.9327 6.0757 6.0757 9.1682 9.1682 9.8113 9.8113 10.7230 10.7230 10.7341 10.7341 11.2018 11.2018 k = 0.6410-0.1908-0.4924 ( 5504 PWs) bands (ev): -20.1851 -20.1851 -20.1816 -20.1816 -10.8572 -10.8572 -10.6077 -10.6077 -9.2206 -9.2206 -6.8131 -6.8131 -6.5885 -6.5885 -4.9376 -4.9376 -4.8048 -4.8048 -4.6924 -4.6924 -4.4614 -4.4614 1.8693 1.8693 2.3408 2.3408 2.5181 2.5181 2.7340 2.7340 3.0961 3.0961 3.3055 3.3055 3.6280 3.6280 3.9643 3.9643 4.0977 4.0977 4.7842 4.7842 4.8697 4.8697 5.0840 5.0840 5.9254 5.9254 6.0656 6.0656 9.1832 9.1832 9.8104 9.8104 10.6734 10.6734 10.7447 10.7447 11.2135 11.2135 k = 0.6342-0.1764-0.4658 ( 5504 PWs) bands (ev): -20.1885 -20.1885 -20.1849 -20.1849 -10.8440 -10.8440 -10.5934 -10.5934 -9.2246 -9.2246 -6.8088 -6.8088 -6.5889 -6.5889 -4.9322 -4.9322 -4.7947 -4.7947 -4.6849 -4.6849 -4.4697 -4.4697 1.8586 1.8586 2.3453 2.3453 2.5417 2.5417 2.7357 2.7357 3.0862 3.0862 3.2969 3.2969 3.6245 3.6245 3.9589 3.9589 4.0764 4.0764 4.7668 4.7668 4.8575 4.8575 5.0781 5.0781 5.9190 5.9190 6.0559 6.0559 9.1978 9.1978 9.8068 9.8068 10.6211 10.6211 10.7558 10.7558 11.2268 11.2268 k = 0.6275-0.1620-0.4392 ( 5508 PWs) bands (ev): -20.1918 -20.1918 -20.1882 -20.1882 -10.8309 -10.8309 -10.5793 -10.5793 -9.2284 -9.2284 -6.8045 -6.8045 -6.5894 -6.5894 -4.9266 -4.9266 -4.7849 -4.7849 -4.6773 -4.6773 -4.4782 -4.4782 1.8480 1.8480 2.3505 2.3505 2.5643 2.5643 2.7364 2.7364 3.0783 3.0783 3.2893 3.2893 3.6212 3.6212 3.9525 3.9525 4.0547 4.0547 4.7455 4.7455 4.8491 4.8491 5.0731 5.0731 5.9133 5.9133 6.0465 6.0465 9.2117 9.2117 9.8003 9.8003 10.5679 10.5679 10.7667 10.7667 11.2411 11.2411 k = 0.6208-0.1477-0.4126 ( 5510 PWs) bands (ev): -20.1951 -20.1951 -20.1914 -20.1914 -10.8180 -10.8180 -10.5654 -10.5654 -9.2322 -9.2322 -6.8003 -6.8003 -6.5900 -6.5900 -4.9207 -4.9207 -4.7755 -4.7755 -4.6699 -4.6699 -4.4869 -4.4869 1.8376 1.8376 2.3566 2.3566 2.5854 2.5854 2.7361 2.7361 3.0726 3.0726 3.2829 3.2829 3.6179 3.6179 3.9452 3.9452 4.0328 4.0328 4.7218 4.7218 4.8433 4.8433 5.0688 5.0688 5.9083 5.9083 6.0375 6.0375 9.2247 9.2247 9.7904 9.7904 10.5146 10.5146 10.7778 10.7778 11.2560 11.2560 k = 0.6141-0.1333-0.3860 ( 5508 PWs) bands (ev): -20.1983 -20.1983 -20.1945 -20.1945 -10.8053 -10.8053 -10.5518 -10.5518 -9.2357 -9.2357 -6.7960 -6.7960 -6.5909 -6.5909 -4.9144 -4.9144 -4.7663 -4.7663 -4.6627 -4.6627 -4.4956 -4.4956 1.8274 1.8274 2.3635 2.3635 2.6045 2.6045 2.7350 2.7350 3.0697 3.0697 3.2775 3.2775 3.6147 3.6147 3.9366 3.9366 4.0109 4.0109 4.6968 4.6968 4.8392 4.8392 5.0652 5.0652 5.9040 5.9040 6.0291 6.0291 9.2366 9.2366 9.7769 9.7769 10.4618 10.4618 10.7896 10.7896 11.2708 11.2708 k = 0.6074-0.1189-0.3594 ( 5512 PWs) bands (ev): -20.2015 -20.2015 -20.1975 -20.1975 -10.7929 -10.7929 -10.5386 -10.5386 -9.2390 -9.2390 -6.7917 -6.7917 -6.5921 -6.5921 -4.9078 -4.9078 -4.7574 -4.7574 -4.6558 -4.6558 -4.5046 -4.5046 1.8174 1.8174 2.3711 2.3711 2.6212 2.6212 2.7333 2.7333 3.0697 3.0697 3.2733 3.2733 3.6115 3.6115 3.9268 3.9268 3.9893 3.9893 4.6714 4.6714 4.8362 4.8362 5.0620 5.0620 5.9004 5.9004 6.0212 6.0212 9.2473 9.2473 9.7599 9.7599 10.4100 10.4100 10.8025 10.8025 11.2850 11.2850 k = 0.6007-0.1046-0.3328 ( 5518 PWs) bands (ev): -20.2045 -20.2045 -20.2005 -20.2005 -10.7809 -10.7809 -10.5258 -10.5258 -9.2421 -9.2421 -6.7872 -6.7872 -6.5936 -6.5936 -4.9007 -4.9007 -4.7487 -4.7487 -4.6495 -4.6495 -4.5136 -4.5136 1.8077 1.8077 2.3793 2.3793 2.6349 2.6349 2.7310 2.7310 3.0730 3.0730 3.2703 3.2703 3.6083 3.6083 3.9155 3.9155 3.9682 3.9682 4.6463 4.6463 4.8339 4.8339 5.0593 5.0593 5.8974 5.8974 6.0139 6.0139 9.2565 9.2565 9.7392 9.7392 10.3599 10.3599 10.8171 10.8171 11.2973 11.2973 k = 0.5940-0.0902-0.3062 ( 5514 PWs) bands (ev): -20.2074 -20.2074 -20.2033 -20.2033 -10.7693 -10.7693 -10.5135 -10.5135 -9.2449 -9.2449 -6.7827 -6.7827 -6.5954 -6.5954 -4.8933 -4.8933 -4.7403 -4.7403 -4.6437 -4.6437 -4.5229 -4.5229 1.7984 1.7984 2.3882 2.3882 2.6457 2.6457 2.7283 2.7283 3.0794 3.0794 3.2684 3.2684 3.6051 3.6051 3.9028 3.9028 3.9479 3.9479 4.6220 4.6220 4.8320 4.8320 5.0569 5.0569 5.8949 5.8949 6.0072 6.0072 9.2642 9.2642 9.7151 9.7151 10.3118 10.3118 10.8334 10.8334 11.3040 11.3040 k = 0.5873-0.0758-0.2796 ( 5516 PWs) bands (ev): -20.2102 -20.2102 -20.2060 -20.2060 -10.7582 -10.7582 -10.5018 -10.5018 -9.2475 -9.2475 -6.7779 -6.7779 -6.5977 -6.5977 -4.8854 -4.8854 -4.7321 -4.7321 -4.6386 -4.6386 -4.5322 -4.5322 1.7895 1.7895 2.3976 2.3976 2.6533 2.6533 2.7254 2.7254 3.0889 3.0889 3.2676 3.2676 3.6017 3.6017 3.8885 3.8885 3.9287 3.9287 4.5987 4.5987 4.8305 4.8305 5.0549 5.0549 5.8928 5.8928 6.0013 6.0013 9.2705 9.2705 9.6879 9.6879 10.2661 10.2661 10.8516 10.8516 11.2932 11.2932 k = 0.5805-0.0614-0.2530 ( 5516 PWs) bands (ev): -20.2128 -20.2128 -20.2086 -20.2086 -10.7476 -10.7476 -10.4907 -10.4907 -9.2499 -9.2499 -6.7730 -6.7730 -6.6004 -6.6004 -4.8772 -4.8772 -4.7241 -4.7241 -4.6341 -4.6341 -4.5416 -4.5416 1.7810 1.7810 2.4073 2.4073 2.6582 2.6582 2.7223 2.7223 3.1011 3.1011 3.2679 3.2679 3.5982 3.5982 3.8728 3.8728 3.9107 3.9107 4.5767 4.5767 4.8293 4.8293 5.0532 5.0532 5.8911 5.8911 5.9960 5.9960 9.2753 9.2753 9.6583 9.6583 10.2231 10.2231 10.8718 10.8718 11.2712 11.2713 k = 0.5738-0.0471-0.2264 ( 5512 PWs) bands (ev): -20.2153 -20.2153 -20.2110 -20.2110 -10.7377 -10.7377 -10.4804 -10.4804 -9.2520 -9.2520 -6.7678 -6.7678 -6.6035 -6.6035 -4.8687 -4.8687 -4.7164 -4.7164 -4.6304 -4.6304 -4.5511 -4.5511 1.7730 1.7730 2.4173 2.4173 2.6606 2.6606 2.7192 2.7192 3.1153 3.1153 3.2693 3.2693 3.5946 3.5946 3.8562 3.8562 3.8938 3.8938 4.5563 4.5563 4.8282 4.8282 5.0517 5.0517 5.8897 5.8897 5.9915 5.9915 9.2787 9.2787 9.6269 9.6269 10.1829 10.1829 10.8939 10.8939 11.2482 11.2482 k = 0.5671-0.0327-0.1998 ( 5510 PWs) bands (ev): -20.2176 -20.2176 -20.2132 -20.2132 -10.7284 -10.7284 -10.4708 -10.4708 -9.2539 -9.2539 -6.7626 -6.7626 -6.6070 -6.6070 -4.8599 -4.8599 -4.7089 -4.7089 -4.6273 -4.6273 -4.5606 -4.5606 1.7656 1.7656 2.4273 2.4273 2.6611 2.6611 2.7160 2.7160 3.1308 3.1308 3.2717 3.2717 3.5907 3.5907 3.8392 3.8392 3.8779 3.8779 4.5374 4.5374 4.8273 4.8273 5.0504 5.0504 5.8886 5.8886 5.9877 5.9877 9.2810 9.2810 9.5945 9.5945 10.1459 10.1459 10.9174 10.9174 11.2262 11.2262 k = 0.5604-0.0183-0.1732 ( 5508 PWs) bands (ev): -20.2197 -20.2197 -20.2153 -20.2153 -10.7199 -10.7199 -10.4619 -10.4619 -9.2555 -9.2555 -6.7572 -6.7572 -6.6108 -6.6108 -4.8510 -4.8510 -4.7017 -4.7017 -4.6250 -4.6250 -4.5701 -4.5701 1.7588 1.7588 2.4373 2.4373 2.6603 2.6603 2.7128 2.7128 3.1470 3.1470 3.2752 3.2752 3.5865 3.5865 3.8223 3.8223 3.8627 3.8627 4.5203 4.5203 4.8265 4.8265 5.0493 5.0493 5.8876 5.8876 5.9846 5.9846 9.2822 9.2822 9.5620 9.5620 10.1120 10.1120 10.9422 10.9422 11.2057 11.2057 k = 0.5537-0.0040-0.1466 ( 5514 PWs) bands (ev): -20.2216 -20.2216 -20.2172 -20.2172 -10.7121 -10.7121 -10.4539 -10.4539 -9.2569 -9.2569 -6.7517 -6.7517 -6.6149 -6.6149 -4.8420 -4.8420 -4.6949 -4.6949 -4.6233 -4.6233 -4.5794 -4.5794 1.7526 1.7526 2.4468 2.4468 2.6586 2.6586 2.7096 2.7096 3.1630 3.1630 3.2798 3.2798 3.5821 3.5821 3.8060 3.8060 3.8483 3.8483 4.5049 4.5049 4.8258 4.8258 5.0484 5.0484 5.8866 5.8866 5.9821 5.9821 9.2825 9.2825 9.5303 9.5303 10.0813 10.0813 10.9677 10.9677 11.1869 11.1869 k = 0.5470 0.0104-0.1200 ( 5516 PWs) bands (ev): -20.2234 -20.2234 -20.2188 -20.2188 -10.7051 -10.7051 -10.4468 -10.4468 -9.2582 -9.2582 -6.7462 -6.7462 -6.6192 -6.6192 -4.8331 -4.8331 -4.6884 -4.6884 -4.6223 -4.6223 -4.5885 -4.5885 1.7470 1.7470 2.4559 2.4559 2.6564 2.6564 2.7065 2.7065 3.1781 3.1781 3.2854 3.2854 3.5775 3.5775 3.7907 3.7907 3.8349 3.8349 4.4914 4.4914 4.8252 4.8252 5.0477 5.0477 5.8858 5.8858 5.9802 5.9802 9.2822 9.2822 9.5002 9.5002 10.0540 10.0540 10.9935 10.9935 11.1700 11.1700 k = 0.5403 0.0248-0.0934 ( 5510 PWs) bands (ev): -20.2249 -20.2249 -20.2203 -20.2203 -10.6989 -10.6989 -10.4406 -10.4406 -9.2592 -9.2592 -6.7407 -6.7407 -6.6237 -6.6237 -4.8245 -4.8245 -4.6823 -4.6823 -4.6219 -4.6219 -4.5973 -4.5973 1.7421 1.7421 2.4643 2.4643 2.6541 2.6541 2.7036 2.7036 3.1918 3.1918 3.2920 3.2920 3.5728 3.5728 3.7766 3.7766 3.8227 3.8227 4.4798 4.4798 4.8248 4.8248 5.0471 5.0471 5.8851 5.8851 5.9788 5.9788 9.2814 9.2814 9.4725 9.4725 10.0300 10.0300 11.0188 11.0188 11.1553 11.1553 k = 0.5336 0.0392-0.0668 ( 5504 PWs) bands (ev): -20.2262 -20.2262 -20.2216 -20.2216 -10.6937 -10.6937 -10.4353 -10.4353 -9.2600 -9.2600 -6.7355 -6.7355 -6.6280 -6.6280 -4.8164 -4.8164 -4.6768 -4.6768 -4.6220 -4.6220 -4.6054 -4.6054 1.7380 1.7380 2.4718 2.4718 2.6518 2.6518 2.7010 2.7010 3.2035 3.2035 3.2994 3.2994 3.5680 3.5680 3.7640 3.7640 3.8119 3.8119 4.4700 4.4700 4.8243 4.8243 5.0466 5.0466 5.8844 5.8844 5.9779 5.9779 9.2804 9.2804 9.4478 9.4478 10.0096 10.0096 11.0429 11.0429 11.1427 11.1427 k = 0.5268 0.0535-0.0402 ( 5502 PWs) bands (ev): -20.2272 -20.2272 -20.2226 -20.2226 -10.6893 -10.6893 -10.4309 -10.4309 -9.2606 -9.2606 -6.7307 -6.7307 -6.6322 -6.6322 -4.8090 -4.8090 -4.6718 -4.6718 -4.6226 -4.6226 -4.6127 -4.6127 1.7345 1.7345 2.4781 2.4781 2.6498 2.6498 2.6988 2.6988 3.2129 3.2129 3.3069 3.3069 3.5633 3.5633 3.7533 3.7533 3.8027 3.8027 4.4620 4.4620 4.8240 4.8240 5.0462 5.0462 5.8838 5.8838 5.9773 5.9773 9.2794 9.2794 9.4268 9.4268 9.9927 9.9927 11.0651 11.0651 11.1324 11.1324 k = 0.5201 0.0679-0.0136 ( 5508 PWs) bands (ev): -20.2281 -20.2281 -20.2234 -20.2234 -10.6859 -10.6859 -10.4275 -10.4275 -9.2611 -9.2611 -6.7266 -6.7266 -6.6359 -6.6359 -4.8028 -4.8028 -4.6676 -4.6676 -4.6235 -4.6235 -4.6188 -4.6188 1.7318 1.7318 2.4832 2.4832 2.6481 2.6481 2.6969 2.6969 3.2201 3.2201 3.3139 3.3139 3.5592 3.5592 3.7446 3.7446 3.7953 3.7953 4.4558 4.4558 4.8237 4.8237 5.0459 5.0459 5.8834 5.8834 5.9770 5.9770 9.2784 9.2784 9.4100 9.4100 9.9795 9.9795 11.0841 11.0841 11.1245 11.1245 k = 0.5134 0.0823 0.0130 ( 5506 PWs) bands (ev): -20.2287 -20.2287 -20.2240 -20.2240 -10.6835 -10.6835 -10.4250 -10.4250 -9.2615 -9.2615 -6.7232 -6.7232 -6.6388 -6.6388 -4.7979 -4.7979 -4.6644 -4.6644 -4.6253 -4.6253 -4.6226 -4.6226 1.7299 1.7299 2.4870 2.4870 2.6469 2.6469 2.6956 2.6956 3.2251 3.2251 3.3196 3.3196 3.5558 3.5558 3.7382 3.7382 3.7900 3.7900 4.4514 4.4514 4.8235 4.8235 5.0457 5.0457 5.8830 5.8830 5.9768 5.9768 9.2776 9.2776 9.3977 9.3977 9.9700 9.9700 11.0984 11.0984 11.1196 11.1196 k = 0.5067 0.0966 0.0396 ( 5498 PWs) bands (ev): -20.2290 -20.2290 -20.2243 -20.2243 -10.6820 -10.6820 -10.4236 -10.4236 -9.2617 -9.2617 -6.7211 -6.7211 -6.6408 -6.6408 -4.7949 -4.7949 -4.6623 -4.6623 -4.6277 -4.6277 -4.6238 -4.6238 1.7287 1.7287 2.4893 2.4893 2.6462 2.6462 2.6947 2.6947 3.2281 3.2281 3.3235 3.3235 3.5536 3.5536 3.7343 3.7343 3.7868 3.7868 4.4488 4.4488 4.8234 4.8234 5.0455 5.0455 5.8828 5.8828 5.9767 5.9767 9.2771 9.2771 9.3902 9.3902 9.9643 9.9643 11.1059 11.1059 11.1185 11.1185 k = 0.5000 0.1110 0.0662 ( 5500 PWs) bands (ev): -20.2291 -20.2291 -20.2245 -20.2245 -10.6815 -10.6815 -10.4231 -10.4231 -9.2617 -9.2617 -6.7204 -6.7204 -6.6414 -6.6414 -4.7938 -4.7938 -4.6615 -4.6615 -4.6286 -4.6286 -4.6242 -4.6242 1.7283 1.7283 2.4900 2.4900 2.6459 2.6459 2.6945 2.6945 3.2291 3.2291 3.3248 3.3248 3.5529 3.5529 3.7329 3.7329 3.7857 3.7857 4.4479 4.4479 4.8234 4.8234 5.0455 5.0455 5.8828 5.8828 5.9767 5.9767 9.2769 9.2769 9.3877 9.3877 9.9624 9.9624 11.1073 11.1073 11.1193 11.1193 k = 0.5000 0.1110 0.0662 ( 5500 PWs) bands (ev): -20.2291 -20.2291 -20.2245 -20.2245 -10.6815 -10.6815 -10.4231 -10.4231 -9.2617 -9.2617 -6.7204 -6.7204 -6.6414 -6.6414 -4.7938 -4.7938 -4.6615 -4.6615 -4.6286 -4.6286 -4.6242 -4.6242 1.7283 1.7283 2.4900 2.4900 2.6459 2.6459 2.6945 2.6945 3.2291 3.2291 3.3248 3.3248 3.5529 3.5529 3.7329 3.7329 3.7857 3.7857 4.4479 4.4479 4.8234 4.8234 5.0455 5.0455 5.8828 5.8828 5.9767 5.9767 9.2769 9.2769 9.3877 9.3877 9.9624 9.9624 11.1073 11.1073 11.1193 11.1193 k = 0.4706 0.1045 0.0623 ( 5515 PWs) bands (ev): -20.2292 -20.2292 -20.2244 -20.2244 -10.6815 -10.6815 -10.4230 -10.4230 -9.2618 -9.2618 -6.7203 -6.7203 -6.6415 -6.6415 -4.7936 -4.7936 -4.6617 -4.6617 -4.6286 -4.6286 -4.6242 -4.6242 1.7290 1.7290 2.4888 2.4888 2.6464 2.6464 2.6951 2.6951 3.2270 3.2270 3.3223 3.3223 3.5539 3.5539 3.7347 3.7347 3.7878 3.7878 4.4477 4.4477 4.8233 4.8233 5.0454 5.0454 5.8823 5.8823 5.9762 5.9762 9.2448 9.2448 9.4193 9.4193 9.9669 9.9669 11.1074 11.1074 11.1194 11.1194 k = 0.4412 0.0980 0.0584 ( 5509 PWs) bands (ev): -20.2292 -20.2292 -20.2244 -20.2244 -10.6816 -10.6816 -10.4229 -10.4229 -9.2618 -9.2618 -6.7201 -6.7201 -6.6417 -6.6417 -4.7931 -4.7931 -4.6623 -4.6623 -4.6286 -4.6286 -4.6242 -4.6242 1.7309 1.7309 2.4851 2.4851 2.6479 2.6479 2.6970 2.6970 3.2208 3.2208 3.3152 3.3152 3.5571 3.5571 3.7397 3.7397 3.7939 3.7939 4.4471 4.4471 4.8234 4.8234 5.0455 5.0455 5.8813 5.8813 5.9751 5.9751 9.1868 9.1868 9.4756 9.4756 9.9809 9.9809 11.1074 11.1074 11.1195 11.1195 k = 0.4118 0.0914 0.0545 ( 5515 PWs) bands (ev): -20.2293 -20.2293 -20.2243 -20.2243 -10.6817 -10.6817 -10.4228 -10.4228 -9.2618 -9.2618 -6.7197 -6.7197 -6.6420 -6.6420 -4.7923 -4.7923 -4.6632 -4.6632 -4.6286 -4.6286 -4.6242 -4.6242 1.7340 1.7340 2.4790 2.4790 2.6504 2.6504 2.7001 2.7001 3.2110 3.2110 3.3039 3.3039 3.5621 3.5621 3.7477 3.7477 3.8036 3.8036 4.4460 4.4460 4.8233 4.8233 5.0455 5.0455 5.8795 5.8795 5.9733 5.9733 9.1253 9.1253 9.5330 9.5330 10.0052 10.0052 11.1075 11.1075 11.1197 11.1197 k = 0.3824 0.0849 0.0506 ( 5521 PWs) bands (ev): -20.2295 -20.2295 -20.2241 -20.2241 -10.6819 -10.6819 -10.4225 -10.4225 -9.2619 -9.2619 -6.7192 -6.7192 -6.6425 -6.6425 -4.7911 -4.7911 -4.6644 -4.6644 -4.6286 -4.6286 -4.6242 -4.6242 1.7383 1.7383 2.4708 2.4708 2.6539 2.6539 2.7045 2.7045 3.1980 3.1980 3.2890 3.2890 3.5688 3.5688 3.7582 3.7582 3.8161 3.8161 4.4446 4.4446 4.8232 4.8232 5.0454 5.0454 5.8771 5.8771 5.9708 5.9708 9.0648 9.0648 9.5857 9.5857 10.0409 10.0409 11.1075 11.1075 11.1200 11.1200 k = 0.3529 0.0784 0.0467 ( 5505 PWs) bands (ev): -20.2296 -20.2296 -20.2240 -20.2240 -10.6821 -10.6821 -10.4223 -10.4223 -9.2620 -9.2620 -6.7185 -6.7185 -6.6430 -6.6430 -4.7897 -4.7897 -4.6660 -4.6660 -4.6285 -4.6285 -4.6243 -4.6243 1.7437 1.7437 2.4605 2.4605 2.6585 2.6585 2.7100 2.7100 3.1825 3.1825 3.2714 3.2714 3.5770 3.5770 3.7706 3.7706 3.8307 3.8307 4.4429 4.4429 4.8231 4.8231 5.0454 5.0454 5.8742 5.8742 5.9678 5.9678 9.0068 9.0068 9.6311 9.6311 10.0888 10.0888 11.1076 11.1076 11.1204 11.1204 k = 0.3235 0.0718 0.0428 ( 5511 PWs) bands (ev): -20.2298 -20.2298 -20.2238 -20.2238 -10.6824 -10.6824 -10.4219 -10.4219 -9.2621 -9.2621 -6.7178 -6.7178 -6.6437 -6.6437 -4.7880 -4.7880 -4.6679 -4.6679 -4.6285 -4.6285 -4.6243 -4.6243 1.7501 1.7501 2.4486 2.4486 2.6642 2.6642 2.7166 2.7166 3.1651 3.1651 3.2517 3.2517 3.5862 3.5862 3.7843 3.7843 3.8466 3.8466 4.4408 4.4408 4.8230 4.8230 5.0453 5.0453 5.8708 5.8708 5.9642 5.9642 8.9520 8.9520 9.6686 9.6686 10.1481 10.1481 11.1076 11.1076 11.1207 11.1207 k = 0.2941 0.0653 0.0389 ( 5505 PWs) bands (ev): -20.2300 -20.2300 -20.2236 -20.2236 -10.6827 -10.6827 -10.4216 -10.4216 -9.2622 -9.2622 -6.7170 -6.7170 -6.6444 -6.6444 -4.7860 -4.7860 -4.6700 -4.6700 -4.6285 -4.6285 -4.6243 -4.6243 1.7572 1.7572 2.4353 2.4353 2.6708 2.6708 2.7243 2.7243 3.1463 3.1463 3.2306 3.2306 3.5962 3.5962 3.7987 3.7987 3.8632 3.8632 4.4385 4.4385 4.8229 4.8229 5.0453 5.0453 5.8671 5.8671 5.9604 5.9604 8.9010 8.9010 9.6989 9.6989 10.2170 10.2170 11.1076 11.1076 11.1210 11.1210 k = 0.2647 0.0588 0.0350 ( 5502 PWs) bands (ev): -20.2301 -20.2301 -20.2234 -20.2234 -10.6830 -10.6830 -10.4212 -10.4212 -9.2624 -9.2624 -6.7161 -6.7161 -6.6452 -6.6452 -4.7839 -4.7839 -4.6722 -4.6722 -4.6284 -4.6284 -4.6244 -4.6244 1.7650 1.7650 2.4212 2.4212 2.6783 2.6783 2.7328 2.7328 3.1267 3.1267 3.2089 3.2089 3.6065 3.6065 3.8132 3.8132 3.8799 3.8799 4.4360 4.4360 4.8227 4.8227 5.0452 5.0452 5.8631 5.8631 5.9563 5.9563 8.8541 8.8541 9.7231 9.7231 10.2928 10.2928 11.1076 11.1076 11.1213 11.1213 k = 0.2353 0.0522 0.0312 ( 5496 PWs) bands (ev): -20.2303 -20.2303 -20.2233 -20.2233 -10.6833 -10.6833 -10.4208 -10.4208 -9.2625 -9.2625 -6.7151 -6.7151 -6.6461 -6.6461 -4.7817 -4.7817 -4.6747 -4.6747 -4.6284 -4.6284 -4.6244 -4.6244 1.7733 1.7733 2.4066 2.4066 2.6865 2.6865 2.7420 2.7420 3.1068 3.1068 3.1869 3.1869 3.6169 3.6169 3.8275 3.8275 3.8960 3.8960 4.4335 4.4335 4.8226 4.8226 5.0452 5.0452 5.8591 5.8591 5.9521 5.9521 8.8115 8.8115 9.7428 9.7428 10.3725 10.3725 11.1074 11.1074 11.1215 11.1215 k = 0.2059 0.0457 0.0273 ( 5496 PWs) bands (ev): -20.2305 -20.2305 -20.2231 -20.2231 -10.6836 -10.6836 -10.4204 -10.4204 -9.2626 -9.2626 -6.7142 -6.7142 -6.6469 -6.6469 -4.7793 -4.7793 -4.6772 -4.6772 -4.6283 -4.6283 -4.6245 -4.6245 1.7817 1.7817 2.3919 2.3919 2.6952 2.6952 2.7518 2.7518 3.0872 3.0872 3.1653 3.1653 3.6271 3.6271 3.8411 3.8411 3.9113 3.9113 4.4309 4.4309 4.8224 4.8224 5.0451 5.0451 5.8551 5.8551 5.9480 5.9480 8.7736 8.7736 9.7590 9.7590 10.4534 10.4534 11.1073 11.1073 11.1217 11.1217 k = 0.1765 0.0392 0.0234 ( 5493 PWs) bands (ev): -20.2306 -20.2306 -20.2230 -20.2230 -10.6838 -10.6838 -10.4201 -10.4201 -9.2627 -9.2627 -6.7133 -6.7133 -6.6477 -6.6477 -4.7770 -4.7770 -4.6796 -4.6796 -4.6283 -4.6283 -4.6245 -4.6245 1.7900 1.7900 2.3778 2.3778 2.7043 2.7043 2.7619 2.7619 3.0684 3.0684 3.1445 3.1445 3.6366 3.6366 3.8535 3.8535 3.9252 3.9252 4.4285 4.4285 4.8223 4.8223 5.0451 5.0451 5.8513 5.8513 5.9440 5.9440 8.7404 8.7404 9.7723 9.7723 10.5322 10.5322 11.1070 11.1070 11.1218 11.1218 k = 0.1471 0.0327 0.0195 ( 5493 PWs) bands (ev): -20.2308 -20.2308 -20.2228 -20.2228 -10.6841 -10.6841 -10.4198 -10.4198 -9.2628 -9.2628 -6.7124 -6.7124 -6.6485 -6.6485 -4.7748 -4.7748 -4.6820 -4.6820 -4.6282 -4.6282 -4.6246 -4.6246 1.7979 1.7979 2.3647 2.3647 2.7132 2.7132 2.7719 2.7719 3.0508 3.0508 3.1251 3.1251 3.6452 3.6452 3.8646 3.8646 3.9376 3.9376 4.4261 4.4261 4.8222 4.8222 5.0450 5.0450 5.8478 5.8478 5.9404 5.9404 8.7121 8.7121 9.7832 9.7832 10.6057 10.6057 11.1068 11.1068 11.1219 11.1219 k = 0.1176 0.0261 0.0156 ( 5517 PWs) bands (ev): -20.2309 -20.2309 -20.2227 -20.2227 -10.6843 -10.6843 -10.4195 -10.4195 -9.2629 -9.2629 -6.7117 -6.7117 -6.6492 -6.6492 -4.7728 -4.7728 -4.6841 -4.6841 -4.6282 -4.6282 -4.6246 -4.6246 1.8050 1.8050 2.3531 2.3531 2.7217 2.7217 2.7813 2.7813 3.0350 3.0350 3.1078 3.1078 3.6527 3.6527 3.8740 3.8740 3.9480 3.9480 4.4240 4.4240 4.8220 4.8220 5.0449 5.0449 5.8448 5.8448 5.9372 5.9372 8.6887 8.6887 9.7921 9.7921 10.6705 10.6705 11.1066 11.1066 11.1219 11.1219 k = 0.0882 0.0196 0.0117 ( 5523 PWs) bands (ev): -20.2309 -20.2309 -20.2227 -20.2227 -10.6845 -10.6845 -10.4193 -10.4193 -9.2630 -9.2630 -6.7110 -6.7110 -6.6498 -6.6498 -4.7711 -4.7711 -4.6859 -4.6859 -4.6281 -4.6281 -4.6247 -4.6247 1.8110 1.8110 2.3434 2.3434 2.7292 2.7292 2.7897 2.7897 3.0217 3.0217 3.0932 3.0932 3.6587 3.6587 3.8816 3.8816 3.9564 3.9564 4.4223 4.4223 4.8219 4.8219 5.0449 5.0449 5.8423 5.8423 5.9346 5.9346 8.6705 8.6705 9.7989 9.7989 10.7235 10.7235 11.1064 11.1064 11.1218 11.1219 k = 0.0588 0.0131 0.0078 ( 5544 PWs) bands (ev): -20.2310 -20.2310 -20.2226 -20.2226 -10.6847 -10.6847 -10.4191 -10.4191 -9.2631 -9.2631 -6.7106 -6.7106 -6.6502 -6.6502 -4.7698 -4.7698 -4.6873 -4.6873 -4.6281 -4.6281 -4.6247 -4.6247 1.8155 1.8155 2.3362 2.3362 2.7352 2.7352 2.7964 2.7964 3.0116 3.0116 3.0820 3.0820 3.6631 3.6631 3.8871 3.8871 3.9625 3.9625 4.4210 4.4210 4.8218 4.8218 5.0448 5.0448 5.8404 5.8404 5.9327 5.9327 8.6574 8.6574 9.8038 9.8038 10.7623 10.7623 11.1062 11.1062 11.1218 11.1218 k = 0.0294 0.0065 0.0039 ( 5541 PWs) bands (ev): -20.2310 -20.2310 -20.2226 -20.2226 -10.6847 -10.6847 -10.4190 -10.4190 -9.2631 -9.2631 -6.7103 -6.7103 -6.6505 -6.6505 -4.7689 -4.7689 -4.6882 -4.6882 -4.6281 -4.6281 -4.6247 -4.6247 1.8184 1.8184 2.3317 2.3317 2.7391 2.7391 2.8007 2.8007 3.0052 3.0052 3.0749 3.0749 3.6659 3.6659 3.8904 3.8904 3.9662 3.9662 4.4203 4.4203 4.8218 4.8218 5.0448 5.0448 5.8393 5.8393 5.9315 5.9315 8.6496 8.6496 9.8068 9.8068 10.7857 10.7857 11.1061 11.1061 11.1218 11.1218 k = 0.0000 0.0000 0.0000 ( 5541 PWs) bands (ev): -20.2311 -20.2311 -20.2225 -20.2225 -10.6848 -10.6848 -10.4190 -10.4190 -9.2631 -9.2631 -6.7102 -6.7102 -6.6506 -6.6506 -4.7687 -4.7687 -4.6885 -4.6885 -4.6281 -4.6281 -4.6247 -4.6247 1.8194 1.8194 2.3302 2.3302 2.7404 2.7404 2.8022 2.8022 3.0030 3.0030 3.0725 3.0725 3.6668 3.6668 3.8916 3.8916 3.9674 3.9674 4.4200 4.4200 4.8218 4.8218 5.0448 5.0448 5.8389 5.8389 5.9311 5.9311 8.6470 8.6470 9.8077 9.8077 10.7935 10.7935 11.1060 11.1060 11.1218 11.1218 k = 0.0000 0.0000 0.0000 ( 5541 PWs) bands (ev): -20.2311 -20.2311 -20.2225 -20.2225 -10.6848 -10.6848 -10.4190 -10.4190 -9.2631 -9.2631 -6.7102 -6.7102 -6.6506 -6.6506 -4.7687 -4.7687 -4.6885 -4.6885 -4.6281 -4.6281 -4.6247 -4.6247 1.8194 1.8194 2.3302 2.3302 2.7404 2.7404 2.8022 2.8022 3.0030 3.0030 3.0725 3.0725 3.6668 3.6668 3.8916 3.8916 3.9674 3.9674 4.4200 4.4200 4.8218 4.8218 5.0448 5.0448 5.8389 5.8389 5.9311 5.9311 8.6470 8.6470 9.8077 9.8077 10.7935 10.7935 11.1060 11.1060 11.1218 11.1218 k = 0.0068-0.0145-0.0269 ( 5541 PWs) bands (ev): -20.2309 -20.2309 -20.2224 -20.2224 -10.6853 -10.6853 -10.4195 -10.4195 -9.2630 -9.2630 -6.7112 -6.7112 -6.6496 -6.6496 -4.7703 -4.7703 -4.6883 -4.6883 -4.6276 -4.6276 -4.6243 -4.6243 1.8196 1.8196 2.3293 2.3293 2.7401 2.7401 2.8018 2.8018 3.0043 3.0043 3.0737 3.0737 3.6667 3.6667 3.8910 3.8910 3.9666 3.9666 4.4216 4.4216 4.8218 4.8218 5.0449 5.0449 5.8392 5.8392 5.9314 5.9314 8.6490 8.6490 9.8090 9.8090 10.7925 10.7925 11.1072 11.1072 11.1228 11.1228 k = 0.0136-0.0290-0.0537 ( 5539 PWs) bands (ev): -20.2306 -20.2306 -20.2221 -20.2221 -10.6867 -10.6867 -10.4211 -10.4211 -9.2628 -9.2628 -6.7142 -6.7142 -6.6469 -6.6469 -4.7748 -4.7748 -4.6881 -4.6881 -4.6261 -4.6261 -4.6229 -4.6229 1.8204 1.8204 2.3267 2.3267 2.7390 2.7390 2.8006 2.8006 3.0082 3.0082 3.0773 3.0773 3.6666 3.6666 3.8892 3.8892 3.9644 3.9644 4.4264 4.4264 4.8220 4.8220 5.0450 5.0450 5.8404 5.8404 5.9324 5.9324 8.6550 8.6550 9.8126 9.8126 10.7896 10.7896 11.1105 11.1105 11.1258 11.1258 k = 0.0203-0.0435-0.0806 ( 5529 PWs) bands (ev): -20.2299 -20.2299 -20.2215 -20.2215 -10.6890 -10.6890 -10.4238 -10.4238 -9.2624 -9.2624 -6.7185 -6.7185 -6.6429 -6.6429 -4.7817 -4.7817 -4.6885 -4.6885 -4.6244 -4.6244 -4.6199 -4.6199 1.8217 1.8217 2.3225 2.3225 2.7373 2.7373 2.7988 2.7988 3.0144 3.0144 3.0833 3.0833 3.6663 3.6663 3.8859 3.8859 3.9615 3.9615 4.4341 4.4341 4.8223 4.8223 5.0453 5.0453 5.8423 5.8423 5.9340 5.9340 8.6649 8.6649 9.8187 9.8187 10.7846 10.7846 11.1159 11.1159 11.1305 11.1305 k = 0.0271-0.0580-0.1074 ( 5529 PWs) bands (ev): -20.2291 -20.2291 -20.2207 -20.2207 -10.6924 -10.6924 -10.4275 -10.4275 -9.2618 -9.2618 -6.7238 -6.7238 -6.6381 -6.6381 -4.7901 -4.7901 -4.6901 -4.6901 -4.6231 -4.6231 -4.6147 -4.6147 1.8234 1.8234 2.3170 2.3170 2.7349 2.7349 2.7964 2.7964 3.0225 3.0225 3.0916 3.0916 3.6660 3.6660 3.8807 3.8807 3.9586 3.9586 4.4446 4.4446 4.8227 4.8227 5.0457 5.0457 5.8448 5.8448 5.9362 5.9362 8.6786 8.6786 9.8270 9.8270 10.7776 10.7776 11.1230 11.1230 11.1367 11.1367 k = 0.0339-0.0726-0.1343 ( 5523 PWs) bands (ev): -20.2280 -20.2280 -20.2196 -20.2196 -10.6966 -10.6966 -10.4322 -10.4322 -9.2611 -9.2611 -6.7297 -6.7297 -6.6329 -6.6329 -4.7996 -4.7996 -4.6928 -4.6928 -4.6224 -4.6224 -4.6077 -4.6077 1.8257 1.8257 2.3104 2.3104 2.7317 2.7317 2.7937 2.7937 3.0322 3.0322 3.1019 3.1019 3.6655 3.6655 3.8732 3.8732 3.9568 3.9568 4.4574 4.4574 4.8231 4.8231 5.0462 5.0462 5.8481 5.8481 5.9391 5.9391 8.6956 8.6956 9.8375 9.8375 10.7686 10.7686 11.1312 11.1312 11.1438 11.1438 k = 0.0407-0.0871-0.1612 ( 5509 PWs) bands (ev): -20.2266 -20.2266 -20.2184 -20.2184 -10.7017 -10.7017 -10.4380 -10.4380 -9.2601 -9.2601 -6.7358 -6.7358 -6.6277 -6.6277 -4.8096 -4.8096 -4.6968 -4.6968 -4.6222 -4.6222 -4.5994 -4.5994 1.8284 1.8284 2.3029 2.3029 2.7278 2.7278 2.7907 2.7907 3.0430 3.0430 3.1140 3.1140 3.6648 3.6648 3.8636 3.8636 3.9565 3.9565 4.4722 4.4722 4.8238 4.8238 5.0468 5.0468 5.8521 5.8521 5.9426 5.9426 8.7159 8.7159 9.8500 9.8500 10.7575 10.7575 11.1384 11.1384 11.1518 11.1518 k = 0.0474-0.1016-0.1880 ( 5499 PWs) bands (ev): -20.2251 -20.2251 -20.2169 -20.2169 -10.7077 -10.7077 -10.4447 -10.4447 -9.2590 -9.2590 -6.7421 -6.7421 -6.6225 -6.6225 -4.8199 -4.8199 -4.7016 -4.7016 -4.6225 -4.6225 -4.5903 -4.5903 1.8315 1.8315 2.2949 2.2949 2.7229 2.7229 2.7877 2.7877 3.0547 3.0547 3.1276 3.1276 3.6640 3.6640 3.8522 3.8522 3.9581 3.9581 4.4888 4.4888 4.8245 4.8245 5.0476 5.0476 5.8567 5.8567 5.9466 5.9466 8.7389 8.7389 9.8643 9.8643 10.7447 10.7447 11.1410 11.1410 11.1620 11.1620 k = 0.0542-0.1161-0.2149 ( 5493 PWs) bands (ev): -20.2233 -20.2233 -20.2152 -20.2152 -10.7145 -10.7145 -10.4523 -10.4523 -9.2576 -9.2576 -6.7483 -6.7483 -6.6175 -6.6175 -4.8303 -4.8303 -4.7072 -4.7072 -4.6235 -4.6235 -4.5806 -4.5806 1.8350 1.8350 2.2868 2.2868 2.7170 2.7170 2.7849 2.7849 3.0670 3.0670 3.1422 3.1422 3.6630 3.6630 3.8398 3.8398 3.9616 3.9616 4.5068 4.5068 4.8254 4.8254 5.0485 5.0485 5.8618 5.8618 5.9513 5.9513 8.7643 8.7643 9.8804 9.8804 10.7302 10.7302 11.1374 11.1374 11.1741 11.1741 k = 0.0610-0.1306-0.2417 ( 5495 PWs) bands (ev): -20.2213 -20.2213 -20.2133 -20.2133 -10.7221 -10.7221 -10.4608 -10.4608 -9.2561 -9.2561 -6.7544 -6.7544 -6.6128 -6.6128 -4.8406 -4.8406 -4.7134 -4.7134 -4.6251 -4.6251 -4.5707 -4.5707 1.8388 1.8388 2.2787 2.2787 2.7100 2.7100 2.7821 2.7821 3.0796 3.0796 3.1576 3.1576 3.6619 3.6619 3.8270 3.8270 3.9668 3.9668 4.5261 4.5261 4.8263 4.8263 5.0496 5.0496 5.8676 5.8676 5.9564 5.9564 8.7915 8.7915 9.8979 9.8979 10.7143 10.7143 11.1281 11.1281 11.1866 11.1866 k = 0.0678-0.1451-0.2686 ( 5497 PWs) bands (ev): -20.2191 -20.2191 -20.2113 -20.2113 -10.7306 -10.7306 -10.4702 -10.4702 -9.2543 -9.2543 -6.7603 -6.7603 -6.6085 -6.6085 -4.8506 -4.8506 -4.7201 -4.7201 -4.6273 -4.6273 -4.5607 -4.5607 1.8429 1.8429 2.2710 2.2710 2.7017 2.7017 2.7796 2.7796 3.0925 3.0925 3.1731 3.1731 3.6606 3.6606 3.8145 3.8145 3.9737 3.9737 4.5465 4.5465 4.8274 4.8274 5.0508 5.0508 5.8738 5.8738 5.9621 5.9621 8.8201 8.8201 9.9167 9.9167 10.6972 10.6972 11.1141 11.1141 11.1983 11.1983 k = 0.0746-0.1596-0.2954 ( 5501 PWs) bands (ev): -20.2168 -20.2168 -20.2090 -20.2090 -10.7397 -10.7397 -10.4804 -10.4804 -9.2523 -9.2523 -6.7660 -6.7660 -6.6046 -6.6046 -4.8604 -4.8604 -4.7272 -4.7272 -4.6303 -4.6303 -4.5508 -4.5508 1.8473 1.8473 2.2639 2.2639 2.6921 2.6921 2.7773 2.7773 3.1054 3.1054 3.1886 3.1886 3.6591 3.6591 3.8030 3.8030 3.9823 3.9823 4.5679 4.5679 4.8286 4.8286 5.0522 5.0522 5.8805 5.8805 5.9684 5.9684 8.8494 8.8494 9.9365 9.9365 10.6791 10.6791 11.0970 11.0970 11.2078 11.2078 k = 0.0813-0.1741-0.3223 ( 5503 PWs) bands (ev): -20.2142 -20.2142 -20.2066 -20.2066 -10.7495 -10.7495 -10.4913 -10.4913 -9.2500 -9.2500 -6.7715 -6.7715 -6.6012 -6.6012 -4.8697 -4.8697 -4.7346 -4.7346 -4.6340 -4.6340 -4.5409 -4.5409 1.8519 1.8519 2.2576 2.2576 2.6812 2.6812 2.7752 2.7752 3.1183 3.1183 3.2035 3.2035 3.6575 3.6575 3.7930 3.7930 3.9924 3.9924 4.5900 4.5900 4.8300 4.8300 5.0539 5.0539 5.8876 5.8876 5.9751 5.9751 8.8790 8.8790 9.9573 9.9573 10.6602 10.6602 11.0780 11.0780 11.2142 11.2142 k = 0.0881-0.1887-0.3492 ( 5501 PWs) bands (ev): -20.2115 -20.2115 -20.2040 -20.2040 -10.7600 -10.7600 -10.5029 -10.5029 -9.2475 -9.2475 -6.7768 -6.7768 -6.5983 -6.5983 -4.8787 -4.8787 -4.7423 -4.7423 -4.6384 -4.6384 -4.5311 -4.5311 1.8567 1.8567 2.2523 2.2523 2.6689 2.6689 2.7732 2.7732 3.1311 3.1311 3.2176 3.2176 3.6558 3.6558 3.7849 3.7849 4.0042 4.0042 4.6128 4.6128 4.8317 4.8317 5.0558 5.0558 5.8951 5.8951 5.9823 5.9823 8.9083 8.9083 9.9788 9.9788 10.6406 10.6406 11.0582 11.0582 11.2164 11.2164 k = 0.0949-0.2032-0.3760 ( 5501 PWs) bands (ev): -20.2086 -20.2086 -20.2013 -20.2013 -10.7710 -10.7710 -10.5150 -10.5150 -9.2448 -9.2448 -6.7818 -6.7818 -6.5958 -6.5958 -4.8871 -4.8871 -4.7503 -4.7503 -4.6435 -4.6435 -4.5216 -4.5216 1.8617 1.8617 2.2481 2.2481 2.6554 2.6554 2.7711 2.7711 3.1435 3.1435 3.2307 3.2307 3.6540 3.6540 3.7790 3.7790 4.0175 4.0175 4.6361 4.6361 4.8336 4.8336 5.0580 5.0580 5.9029 5.9029 5.9899 5.9899 8.9366 8.9366 10.0007 10.0007 10.6204 10.6204 11.0382 11.0382 11.2140 11.2140 k = 0.1017-0.2177-0.4029 ( 5503 PWs) bands (ev): -20.2056 -20.2056 -20.1985 -20.1985 -10.7825 -10.7825 -10.5278 -10.5278 -9.2419 -9.2419 -6.7866 -6.7866 -6.5937 -6.5937 -4.8951 -4.8951 -4.7585 -4.7585 -4.6492 -4.6492 -4.5123 -4.5123 1.8668 1.8668 2.2450 2.2450 2.6406 2.6406 2.7689 2.7689 3.1554 3.1554 3.2425 3.2425 3.6522 3.6522 3.7757 3.7757 4.0324 4.0324 4.6597 4.6597 4.8358 4.8358 5.0605 5.0605 5.9109 5.9109 5.9979 5.9979 8.9634 8.9634 10.0229 10.0229 10.5997 10.5997 11.0190 11.0190 11.2068 11.2068 k = 0.1084-0.2322-0.4297 ( 5501 PWs) bands (ev): -20.2025 -20.2025 -20.1956 -20.1956 -10.7946 -10.7946 -10.5410 -10.5410 -9.2387 -9.2387 -6.7913 -6.7913 -6.5921 -6.5921 -4.9026 -4.9026 -4.7670 -4.7670 -4.6554 -4.6554 -4.5031 -4.5031 1.8719 1.8719 2.2433 2.2433 2.6246 2.6246 2.7666 2.7666 3.1669 3.1669 3.2530 3.2530 3.6504 3.6504 3.7750 3.7750 4.0486 4.0486 4.6834 4.6834 4.8387 4.8387 5.0634 5.0634 5.9192 5.9192 6.0064 6.0064 8.9883 8.9883 10.0450 10.0450 10.5782 10.5782 11.0012 11.0012 11.1950 11.1950 k = 0.1152-0.2467-0.4566 ( 5497 PWs) bands (ev): -20.1993 -20.1993 -20.1925 -20.1925 -10.8069 -10.8069 -10.5546 -10.5546 -9.2353 -9.2353 -6.7958 -6.7958 -6.5909 -6.5909 -4.9097 -4.9097 -4.7757 -4.7757 -4.6621 -4.6621 -4.4943 -4.4943 1.8771 1.8771 2.2429 2.2429 2.6077 2.6077 2.7639 2.7639 3.1777 3.1777 3.2621 3.2621 3.6487 3.6487 3.7770 3.7770 4.0662 4.0662 4.7068 4.7068 4.8422 4.8422 5.0668 5.0668 5.9276 5.9276 6.0152 6.0152 9.0109 9.0109 10.0669 10.0669 10.5561 10.5561 10.9853 10.9853 11.1789 11.1789 k = 0.1220-0.2612-0.4835 ( 5507 PWs) bands (ev): -20.1959 -20.1959 -20.1894 -20.1894 -10.8197 -10.8197 -10.5685 -10.5685 -9.2317 -9.2317 -6.8002 -6.8002 -6.5899 -6.5899 -4.9163 -4.9163 -4.7846 -4.7846 -4.6691 -4.6691 -4.4856 -4.4856 1.8822 1.8822 2.2437 2.2437 2.5899 2.5899 2.7607 2.7607 3.1880 3.1880 3.2696 3.2696 3.6471 3.6471 3.7818 3.7818 4.0850 4.0850 4.7295 4.7295 4.8469 4.8469 5.0706 5.0706 5.9361 5.9361 6.0243 6.0243 9.0308 9.0308 10.0883 10.0883 10.5332 10.5332 10.9720 10.9720 11.1592 11.1592 k = 0.1288-0.2757-0.5103 ( 5507 PWs) bands (ev): -20.1925 -20.1925 -20.1862 -20.1862 -10.8327 -10.8327 -10.5827 -10.5827 -9.2280 -9.2280 -6.8045 -6.8045 -6.5892 -6.5892 -4.9226 -4.9226 -4.7939 -4.7939 -4.6764 -4.6764 -4.4772 -4.4772 1.8874 1.8874 2.2460 2.2460 2.5715 2.5715 2.7572 2.7572 3.1976 3.1976 3.2758 3.2758 3.6458 3.6458 3.7892 3.7892 4.1048 4.1048 4.7506 4.7506 4.8533 4.8533 5.0750 5.0750 5.9448 5.9448 6.0338 6.0338 9.0477 9.0477 10.1087 10.1087 10.5093 10.5093 10.9617 10.9617 11.1362 11.1362 k = 0.1356-0.2902-0.5372 ( 5515 PWs) bands (ev): -20.1891 -20.1891 -20.1830 -20.1830 -10.8458 -10.8458 -10.5970 -10.5970 -9.2241 -9.2241 -6.8089 -6.8089 -6.5887 -6.5887 -4.9285 -4.9285 -4.8034 -4.8034 -4.6837 -4.6837 -4.4689 -4.4689 1.8925 1.8925 2.2494 2.2494 2.5525 2.5525 2.7530 2.7530 3.2065 3.2065 3.2806 3.2806 3.6447 3.6447 3.7990 3.7990 4.1254 4.1254 4.7693 4.7693 4.8621 4.8621 5.0801 5.0801 5.9535 5.9535 6.0435 6.0435 9.0616 9.0616 10.1279 10.1279 10.4843 10.4843 10.9548 10.9548 11.1104 11.1104 k = 0.1423-0.3047-0.5640 ( 5513 PWs) bands (ev): -20.1856 -20.1856 -20.1797 -20.1797 -10.8592 -10.8592 -10.6114 -10.6114 -9.2201 -9.2201 -6.8133 -6.8133 -6.5883 -6.5883 -4.9342 -4.9342 -4.8133 -4.8133 -4.6909 -4.6909 -4.4609 -4.4609 1.8976 1.8976 2.2541 2.2541 2.5334 2.5334 2.7483 2.7483 3.2148 3.2148 3.2842 3.2842 3.6440 3.6440 3.8111 3.8111 4.1466 4.1466 4.7847 4.7847 4.8741 4.8741 5.0862 5.0862 5.9622 5.9622 6.0534 6.0534 9.0724 9.0724 10.1456 10.1456 10.4581 10.4581 10.9517 10.9517 11.0822 11.0822 k = 0.1491-0.3193-0.5909 ( 5515 PWs) bands (ev): -20.1821 -20.1821 -20.1764 -20.1764 -10.8725 -10.8725 -10.6259 -10.6259 -9.2160 -9.2160 -6.8179 -6.8179 -6.5879 -6.5879 -4.9397 -4.9397 -4.8236 -4.8236 -4.6979 -4.6979 -4.4530 -4.4530 1.9025 1.9025 2.2600 2.2600 2.5142 2.5142 2.7429 2.7429 3.2224 3.2224 3.2867 3.2867 3.6436 3.6436 3.8252 3.8252 4.1683 4.1683 4.7963 4.7963 4.8894 4.8894 5.0933 5.0933 5.9709 5.9709 6.0635 6.0635 9.0801 9.0801 10.1617 10.1617 10.4305 10.4305 10.9524 10.9524 11.0522 11.0522 k = 0.1559-0.3338-0.6178 ( 5513 PWs) bands (ev): -20.1786 -20.1786 -20.1731 -20.1731 -10.8859 -10.8859 -10.6403 -10.6403 -9.2118 -9.2118 -6.8227 -6.8227 -6.5874 -6.5874 -4.9451 -4.9451 -4.8343 -4.8343 -4.7044 -4.7044 -4.4454 -4.4454 1.9074 1.9074 2.2668 2.2668 2.4952 2.4952 2.7368 2.7368 3.2293 3.2293 3.2884 3.2884 3.6437 3.6437 3.8410 3.8410 4.1900 4.1900 4.8047 4.8047 4.9069 4.9069 5.1018 5.1018 5.9797 5.9797 6.0737 6.0737 9.0848 9.0848 10.1759 10.1759 10.4013 10.4013 10.9566 10.9566 11.0209 11.0209 k = 0.1627-0.3483-0.6446 ( 5509 PWs) bands (ev): -20.1751 -20.1751 -20.1698 -20.1698 -10.8991 -10.8991 -10.6546 -10.6546 -9.2075 -9.2075 -6.8277 -6.8277 -6.5868 -6.5868 -4.9506 -4.9506 -4.8453 -4.8453 -4.7103 -4.7103 -4.4378 -4.4378 1.9122 1.9122 2.2746 2.2746 2.4766 2.4766 2.7299 2.7299 3.2354 3.2354 3.2896 3.2896 3.6442 3.6442 3.8583 3.8583 4.2117 4.2117 4.8108 4.8108 4.9256 4.9256 5.1119 5.1119 5.9884 5.9884 6.0840 6.0840 9.0870 9.0870 10.1884 10.1884 10.3703 10.3703 10.9634 10.9634 10.9899 10.9899 k = 0.1695-0.3628-0.6715 ( 5519 PWs) bands (ev): -20.1716 -20.1716 -20.1666 -20.1666 -10.9122 -10.9122 -10.6686 -10.6686 -9.2033 -9.2033 -6.8330 -6.8330 -6.5859 -6.5859 -4.9561 -4.9561 -4.8567 -4.8567 -4.7155 -4.7155 -4.4305 -4.4305 1.9168 1.9168 2.2830 2.2830 2.4587 2.4587 2.7223 2.7223 3.2404 3.2404 3.2905 3.2905 3.6452 3.6452 3.8767 3.8767 4.2331 4.2331 4.8154 4.8154 4.9441 4.9441 5.1238 5.1238 5.9970 5.9970 6.0942 6.0942 9.0867 9.0867 10.1990 10.1990 10.3374 10.3374 10.9534 10.9534 10.9788 10.9788 k = 0.1762-0.3773-0.6983 ( 5513 PWs) bands (ev): -20.1681 -20.1681 -20.1633 -20.1633 -10.9252 -10.9252 -10.6824 -10.6824 -9.1991 -9.1991 -6.8386 -6.8386 -6.5847 -6.5847 -4.9619 -4.9619 -4.8684 -4.8684 -4.7199 -4.7199 -4.4232 -4.4232 1.9214 1.9214 2.2920 2.2920 2.4416 2.4416 2.7140 2.7140 3.2444 3.2444 3.2917 3.2917 3.6468 3.6468 3.8960 3.8960 4.2538 4.2538 4.8191 4.8191 4.9617 4.9617 5.1379 5.1379 6.0057 6.0057 6.1044 6.1044 9.0844 9.0844 10.2081 10.2081 10.3026 10.3026 10.9234 10.9234 10.9908 10.9908 k = 0.1830-0.3918-0.7252 ( 5509 PWs) bands (ev): -20.1647 -20.1647 -20.1602 -20.1602 -10.9378 -10.9378 -10.6959 -10.6959 -9.1950 -9.1950 -6.8446 -6.8446 -6.5832 -6.5832 -4.9681 -4.9681 -4.8802 -4.8802 -4.7234 -4.7234 -4.4161 -4.4161 1.9259 1.9259 2.3013 2.3013 2.4257 2.4257 2.7048 2.7048 3.2471 3.2471 3.2934 3.2934 3.6490 3.6490 3.9159 3.9159 4.2738 4.2738 4.8221 4.8221 4.9776 4.9776 5.1541 5.1541 6.0143 6.0143 6.1145 6.1145 9.0804 9.0804 10.2153 10.2153 10.2661 10.2661 10.8938 10.8938 11.0056 11.0056 k = 0.1898-0.4063-0.7520 ( 5511 PWs) bands (ev): -20.1614 -20.1614 -20.1571 -20.1571 -10.9501 -10.9501 -10.7089 -10.7089 -9.1909 -9.1909 -6.8509 -6.8509 -6.5813 -6.5813 -4.9748 -4.9748 -4.8920 -4.8920 -4.7259 -4.7259 -4.4091 -4.4091 1.9303 1.9303 2.3107 2.3107 2.4111 2.4111 2.6950 2.6950 3.2485 3.2485 3.2959 3.2959 3.6517 3.6517 3.9363 3.9363 4.2927 4.2927 4.8248 4.8248 4.9917 4.9917 5.1723 5.1723 6.0229 6.0229 6.1243 6.1243 9.0751 9.0751 10.2161 10.2161 10.2327 10.2327 10.8662 10.8662 11.0213 11.0213 k = 0.1966-0.4208-0.7789 ( 5519 PWs) bands (ev): -20.1582 -20.1582 -20.1541 -20.1541 -10.9621 -10.9621 -10.7215 -10.7215 -9.1870 -9.1870 -6.8575 -6.8575 -6.5790 -6.5790 -4.9821 -4.9821 -4.9036 -4.9036 -4.7276 -4.7276 -4.4023 -4.4023 1.9347 1.9347 2.3196 2.3196 2.3982 2.3982 2.6843 2.6843 3.2488 3.2488 3.2991 3.2991 3.6551 3.6551 3.9567 3.9567 4.3103 4.3103 4.8272 4.8272 5.0040 5.0040 5.1922 5.1922 6.0314 6.0314 6.1338 6.1338 9.0690 9.0690 10.1824 10.1824 10.2306 10.2306 10.8411 10.8411 11.0371 11.0371 k = 0.2033-0.4354-0.8058 ( 5511 PWs) bands (ev): -20.1550 -20.1550 -20.1512 -20.1512 -10.9736 -10.9736 -10.7336 -10.7336 -9.1832 -9.1832 -6.8644 -6.8644 -6.5763 -6.5763 -4.9901 -4.9901 -4.9148 -4.9148 -4.7284 -4.7284 -4.3955 -4.3955 1.9391 1.9391 2.3275 2.3275 2.3877 2.3877 2.6730 2.6730 3.2484 3.2484 3.3030 3.3030 3.6590 3.6590 3.9771 3.9771 4.3264 4.3264 4.8295 4.8295 5.0145 5.0145 5.2136 5.2136 6.0400 6.0400 6.1430 6.1430 9.0623 9.0623 10.1398 10.1398 10.2349 10.2349 10.8190 10.8190 11.0520 11.0520 k = 0.2101-0.4499-0.8326 ( 5505 PWs) bands (ev): -20.1520 -20.1520 -20.1484 -20.1484 -10.9846 -10.9846 -10.7452 -10.7452 -9.1797 -9.1797 -6.8716 -6.8716 -6.5733 -6.5733 -4.9989 -4.9989 -4.9255 -4.9255 -4.7284 -4.7284 -4.3888 -4.3888 1.9436 1.9436 2.3332 2.3332 2.3804 2.3804 2.6610 2.6610 3.2476 3.2476 3.3072 3.3072 3.6634 3.6634 3.9973 3.9973 4.3410 4.3410 4.8318 4.8318 5.0237 5.0237 5.2358 5.2358 6.0486 6.0486 6.1517 6.1517 9.0556 9.0556 10.0948 10.0948 10.2389 10.2389 10.8000 10.8000 11.0654 11.0654 k = 0.2169-0.4644-0.8595 ( 5511 PWs) bands (ev): -20.1491 -20.1491 -20.1458 -20.1458 -10.9951 -10.9951 -10.7562 -10.7562 -9.1763 -9.1763 -6.8789 -6.8789 -6.5698 -6.5698 -5.0086 -5.0086 -4.9354 -4.9354 -4.7276 -4.7276 -4.3822 -4.3822 1.9481 1.9481 2.3352 2.3352 2.3778 2.3778 2.6483 2.6483 3.2470 3.2470 3.3115 3.3115 3.6684 3.6684 4.0170 4.0170 4.3537 4.3537 4.8340 4.8340 5.0316 5.0316 5.2583 5.2583 6.0571 6.0571 6.1599 6.1599 9.0491 9.0491 10.0483 10.0483 10.2425 10.2425 10.7845 10.7845 11.0769 11.0769 k = 0.2237-0.4789-0.8863 ( 5515 PWs) bands (ev): -20.1463 -20.1463 -20.1432 -20.1432 -11.0051 -11.0051 -10.7665 -10.7665 -9.1732 -9.1732 -6.8864 -6.8864 -6.5661 -6.5661 -5.0190 -5.0190 -4.9444 -4.9444 -4.7263 -4.7263 -4.3757 -4.3757 1.9527 1.9527 2.3335 2.3335 2.3797 2.3797 2.6350 2.6350 3.2467 3.2467 3.3159 3.3159 3.6739 3.6739 4.0361 4.0361 4.3645 4.3645 4.8362 4.8362 5.0385 5.0385 5.2808 5.2808 6.0656 6.0656 6.1676 6.1676 9.0432 9.0432 10.0005 10.0005 10.2457 10.2457 10.7723 10.7723 11.0864 11.0864 k = 0.2305-0.4934-0.9132 ( 5513 PWs) bands (ev): -20.1437 -20.1437 -20.1409 -20.1409 -11.0145 -11.0145 -10.7763 -10.7763 -9.1702 -9.1702 -6.8940 -6.8940 -6.5620 -6.5620 -5.0300 -5.0300 -4.9527 -4.9527 -4.7244 -4.7244 -4.3694 -4.3694 1.9575 1.9575 2.3297 2.3297 2.3844 2.3844 2.6211 2.6211 3.2471 3.2471 3.3202 3.3202 3.6799 3.6799 4.0545 4.0545 4.3733 4.3733 4.8384 4.8384 5.0447 5.0447 5.3030 5.3030 6.0740 6.0740 6.1746 6.1746 9.0382 9.0382 9.9517 9.9517 10.2486 10.2486 10.7635 10.7635 11.0940 11.0940 k = 0.2372-0.5079-0.9401 ( 5505 PWs) bands (ev): -20.1413 -20.1413 -20.1386 -20.1386 -11.0233 -11.0233 -10.7853 -10.7853 -9.1676 -9.1676 -6.9015 -6.9015 -6.5578 -6.5578 -5.0415 -5.0415 -4.9602 -4.9602 -4.7220 -4.7220 -4.3631 -4.3631 1.9626 1.9626 2.3255 2.3255 2.3900 2.3900 2.6066 2.6066 3.2484 3.2484 3.3243 3.3243 3.6863 3.6863 4.0721 4.0721 4.3799 4.3799 4.8408 4.8408 5.0503 5.0503 5.3245 5.3245 6.0825 6.0825 6.1809 6.1809 9.0344 9.0344 9.9024 9.9024 10.2515 10.2515 10.7580 10.7580 11.1004 11.1004 k = 0.2440-0.5224-0.9669 ( 5509 PWs) bands (ev): -20.1389 -20.1389 -20.1365 -20.1365 -11.0315 -11.0315 -10.7936 -10.7936 -9.1652 -9.1652 -6.9090 -6.9090 -6.5533 -6.5533 -5.0532 -5.0532 -4.9670 -4.9670 -4.7194 -4.7194 -4.3570 -4.3570 1.9678 1.9678 2.3218 2.3218 2.3955 2.3955 2.5917 2.5917 3.2507 3.2507 3.3281 3.3281 3.6930 3.6930 4.0887 4.0887 4.3843 4.3843 4.8431 4.8431 5.0552 5.0552 5.3450 5.3450 6.0909 6.0909 6.1864 6.1864 9.0320 9.0320 9.8528 9.8528 10.2546 10.2546 10.7557 10.7557 11.1061 11.1061 k = 0.2508-0.5369-0.9938 ( 5499 PWs) bands (ev): -20.1368 -20.1368 -20.1346 -20.1346 -11.0390 -11.0390 -10.8013 -10.8013 -9.1631 -9.1631 -6.9164 -6.9164 -6.5488 -6.5488 -5.0648 -5.0648 -4.9732 -4.9732 -4.7165 -4.7165 -4.3510 -4.3510 1.9734 1.9734 2.3189 2.3189 2.4004 2.4004 2.5763 2.5763 3.2542 3.2542 3.3316 3.3316 3.7001 3.7001 4.1043 4.1043 4.3866 4.3866 4.8454 4.8454 5.0597 5.0597 5.3644 5.3644 6.0992 6.0992 6.1913 6.1913 9.0312 9.0312 9.8031 9.8031 10.2583 10.2583 10.7565 10.7565 11.1118 11.1118 k = 0.2576-0.5514-1.0206 ( 5493 PWs) bands (ev): -20.1348 -20.1348 -20.1328 -20.1328 -11.0458 -11.0458 -10.8082 -10.8082 -9.1612 -9.1612 -6.9234 -6.9234 -6.5442 -6.5442 -5.0762 -5.0762 -4.9788 -4.9788 -4.7134 -4.7134 -4.3452 -4.3452 1.9793 1.9793 2.3169 2.3169 2.4045 2.4045 2.5606 2.5606 3.2588 3.2588 3.3347 3.3347 3.7073 3.7073 4.1188 4.1188 4.3867 4.3867 4.8478 4.8478 5.0637 5.0637 5.3825 5.3825 6.1073 6.1073 6.1953 6.1953 9.0322 9.0322 9.7537 9.7537 10.2629 10.2629 10.7602 10.7602 11.1181 11.1181 k = 0.2643-0.5660-1.0475 ( 5487 PWs) bands (ev): -20.1330 -20.1330 -20.1312 -20.1312 -11.0521 -11.0521 -10.8144 -10.8144 -9.1596 -9.1596 -6.9302 -6.9302 -6.5396 -6.5396 -5.0872 -5.0872 -4.9840 -4.9840 -4.7104 -4.7104 -4.3396 -4.3396 1.9854 1.9854 2.3159 2.3159 2.4077 2.4077 2.5446 2.5446 3.2647 3.2647 3.3374 3.3374 3.7148 3.7148 4.1322 4.1322 4.3847 4.3847 4.8501 4.8501 5.0674 5.0674 5.3991 5.3991 6.1154 6.1154 6.1987 6.1987 9.0353 9.0353 9.7047 9.7047 10.2689 10.2689 10.7667 10.7667 11.1251 11.1251 k = 0.2711-0.5805-1.0743 ( 5489 PWs) bands (ev): -20.1314 -20.1314 -20.1298 -20.1298 -11.0576 -11.0576 -10.8200 -10.8200 -9.1583 -9.1583 -6.9367 -6.9367 -6.5352 -6.5352 -5.0976 -5.0976 -4.9886 -4.9886 -4.7074 -4.7074 -4.3342 -4.3342 1.9918 1.9918 2.3159 2.3159 2.4100 2.4100 2.5284 2.5284 3.2718 3.2718 3.3397 3.3397 3.7223 3.7223 4.1444 4.1444 4.3807 4.3807 4.8524 4.8524 5.0706 5.0706 5.4142 5.4142 6.1232 6.1232 6.2012 6.2012 9.0406 9.0406 9.6562 9.6562 10.2767 10.2767 10.7759 10.7759 11.1329 11.1329 k = 0.2779-0.5950-1.1012 ( 5503 PWs) bands (ev): -20.1299 -20.1299 -20.1286 -20.1286 -11.0625 -11.0625 -10.8248 -10.8248 -9.1571 -9.1571 -6.9427 -6.9427 -6.5309 -6.5309 -5.1073 -5.1073 -4.9928 -4.9928 -4.7045 -4.7045 -4.3291 -4.3291 1.9984 1.9984 2.3168 2.3168 2.4114 2.4114 2.5120 2.5120 3.2800 3.2800 3.3415 3.3415 3.7298 3.7298 4.1555 4.1555 4.3747 4.3747 4.8546 4.8546 5.0735 5.0735 5.4276 5.4276 6.1307 6.1307 6.2031 6.2031 9.0483 9.0483 9.6085 9.6085 10.2866 10.2866 10.7877 10.7877 11.1412 11.1412 k = 0.2847-0.6095-1.1281 ( 5507 PWs) bands (ev): -20.1286 -20.1286 -20.1275 -20.1275 -11.0667 -11.0667 -10.8290 -10.8290 -9.1562 -9.1562 -6.9481 -6.9481 -6.5269 -6.5269 -5.1161 -5.1161 -4.9966 -4.9966 -4.7018 -4.7018 -4.3243 -4.3243 2.0051 2.0051 2.3186 2.3186 2.4119 2.4119 2.4958 2.4958 3.2891 3.2891 3.3428 3.3428 3.7373 3.7373 4.1654 4.1654 4.3671 4.3671 4.8566 4.8566 5.0760 5.0760 5.4393 5.4393 6.1380 6.1380 6.2044 6.2044 9.0585 9.0585 9.5615 9.5615 10.2990 10.2990 10.8018 10.8018 11.1494 11.1494 k = 0.2915-0.6240-1.1549 ( 5515 PWs) bands (ev): -20.1275 -20.1275 -20.1266 -20.1266 -11.0704 -11.0704 -10.8325 -10.8325 -9.1555 -9.1555 -6.9531 -6.9531 -6.5232 -6.5232 -5.1241 -5.1241 -4.9999 -4.9999 -4.6993 -4.6993 -4.3199 -4.3199 2.0117 2.0117 2.3212 2.3212 2.4116 2.4116 2.4798 2.4798 3.2991 3.2991 3.3436 3.3436 3.7446 3.7446 4.1742 4.1742 4.3578 4.3578 4.8586 4.8586 5.0781 5.0781 5.4493 5.4493 6.1448 6.1448 6.2051 6.2051 9.0713 9.0713 9.5155 9.5155 10.3140 10.3140 10.8181 10.8181 11.1566 11.1566 k = 0.2982-0.6385-1.1818 ( 5509 PWs) bands (ev): -20.1266 -20.1266 -20.1258 -20.1258 -11.0734 -11.0734 -10.8354 -10.8354 -9.1550 -9.1550 -6.9574 -6.9574 -6.5199 -6.5199 -5.1309 -5.1309 -5.0027 -5.0027 -4.6972 -4.6972 -4.3159 -4.3159 2.0183 2.0183 2.3244 2.3244 2.4106 2.4106 2.4643 2.4643 3.3098 3.3098 3.3440 3.3440 3.7515 3.7515 4.1819 4.1819 4.3474 4.3474 4.8604 4.8604 5.0800 5.0800 5.4577 5.4577 6.1511 6.1511 6.2055 6.2055 9.0871 9.0871 9.4704 9.4704 10.3318 10.3318 10.8363 10.8363 11.1618 11.1618 k = 0.3050-0.6530-1.2086 ( 5507 PWs) bands (ev): -20.1258 -20.1258 -20.1252 -20.1252 -11.0758 -11.0758 -10.8377 -10.8377 -9.1546 -9.1546 -6.9610 -6.9610 -6.5170 -6.5170 -5.1367 -5.1367 -5.0051 -5.0051 -4.6954 -4.6954 -4.3125 -4.3125 2.0246 2.0246 2.3278 2.3278 2.4088 2.4088 2.4501 2.4501 3.3209 3.3209 3.3440 3.3440 3.7581 3.7581 4.1886 4.1886 4.3359 4.3359 4.8619 4.8619 5.0814 5.0814 5.4644 5.4644 6.1567 6.1567 6.2056 6.2056 9.1058 9.1058 9.4263 9.4263 10.3522 10.3522 10.8563 10.8563 11.1638 11.1638 k = 0.3118-0.6675-1.2355 ( 5509 PWs) bands (ev): -20.1252 -20.1252 -20.1248 -20.1248 -11.0776 -11.0776 -10.8394 -10.8394 -9.1544 -9.1544 -6.9639 -6.9639 -6.5147 -6.5147 -5.1413 -5.1413 -5.0070 -5.0070 -4.6939 -4.6939 -4.3096 -4.3096 2.0305 2.0305 2.3309 2.3309 2.4061 2.4061 2.4378 2.4378 3.3318 3.3318 3.3438 3.3438 3.7641 3.7641 4.1942 4.1942 4.3238 4.3238 4.8632 4.8632 5.0826 5.0826 5.4695 5.4695 6.1615 6.1615 6.2056 6.2056 9.1276 9.1276 9.3832 9.3832 10.3750 10.3750 10.8774 10.8774 11.1613 11.1613 k = 0.3186-0.6821-1.2624 ( 5501 PWs) bands (ev): -20.1248 -20.1248 -20.1245 -20.1245 -11.0789 -11.0789 -10.8406 -10.8406 -9.1542 -9.1542 -6.9661 -6.9661 -6.5129 -6.5129 -5.1447 -5.1447 -5.0085 -5.0085 -4.6929 -4.6929 -4.3074 -4.3074 2.0357 2.0357 2.3326 2.3326 2.4025 2.4025 2.4290 2.4290 3.3393 3.3393 3.3468 3.3468 3.7694 3.7694 4.1987 4.1987 4.3115 4.3115 4.8642 4.8642 5.0834 5.0834 5.4731 5.4731 6.1651 6.1651 6.2059 6.2059 9.1525 9.1525 9.3412 9.3412 10.4000 10.4000 10.8993 10.8993 11.1534 11.1534 k = 0.3253-0.6966-1.2892 ( 5507 PWs) bands (ev): -20.1245 -20.1245 -20.1243 -20.1243 -11.0797 -11.0797 -10.8413 -10.8413 -9.1542 -9.1542 -6.9675 -6.9675 -6.5117 -6.5117 -5.1468 -5.1468 -5.0094 -5.0094 -4.6924 -4.6924 -4.3058 -4.3058 2.0403 2.0403 2.3316 2.3316 2.3987 2.3987 2.4245 2.4245 3.3391 3.3391 3.3567 3.3567 3.7738 3.7738 4.2021 4.2021 4.2996 4.2996 4.8649 4.8649 5.0839 5.0839 5.4753 5.4753 6.1675 6.1675 6.2066 6.2066 9.1805 9.1805 9.3003 9.3003 10.4267 10.4267 10.9210 10.9210 11.1393 11.1393 k = 0.3321-0.7111-1.3161 ( 5503 PWs) bands (ev): -20.1243 -20.1243 -20.1243 -20.1243 -11.0800 -11.0800 -10.8415 -10.8415 -9.1542 -9.1542 -6.9680 -6.9680 -6.5112 -6.5112 -5.1476 -5.1476 -5.0098 -5.0098 -4.6922 -4.6922 -4.3051 -4.3051 2.0440 2.0440 2.3265 2.3265 2.3961 2.3961 2.4242 2.4242 3.3372 3.3372 3.3676 3.3676 3.7772 3.7772 4.2042 4.2042 4.2888 4.2888 4.8651 4.8651 5.0842 5.0842 5.4762 5.4762 6.1686 6.1686 6.2079 6.2079 9.2109 9.2109 9.2613 9.2613 10.4545 10.4545 10.9413 10.9413 11.1189 11.1189 k = 0.3389-0.7256-1.3429 ( 5511 PWs) bands (ev): -20.1244 -20.1244 -20.1243 -20.1243 -11.0799 -11.0799 -10.8414 -10.8414 -9.1542 -9.1542 -6.9678 -6.9678 -6.5115 -6.5115 -5.1471 -5.1471 -5.0097 -5.0097 -4.6926 -4.6926 -4.3052 -4.3052 2.0468 2.0468 2.3174 2.3174 2.3952 2.3952 2.4278 2.4278 3.3347 3.3347 3.3782 3.3782 3.7793 3.7793 4.2048 4.2048 4.2797 4.2797 4.8650 4.8650 5.0842 5.0842 5.4759 5.4759 6.1683 6.1683 6.2097 6.2097 9.2168 9.2168 9.2509 9.2509 10.4827 10.4827 10.9582 10.9583 11.0928 11.0928 k = 0.6611-0.6146-1.2767 ( 5511 PWs) bands (ev): -20.1244 -20.1244 -20.1243 -20.1243 -11.0799 -11.0799 -10.8414 -10.8414 -9.1542 -9.1542 -6.9678 -6.9678 -6.5115 -6.5115 -5.1471 -5.1471 -5.0097 -5.0097 -4.6926 -4.6926 -4.3052 -4.3052 2.0468 2.0468 2.3174 2.3174 2.3952 2.3952 2.4278 2.4278 3.3347 3.3347 3.3782 3.3782 3.7793 3.7793 4.2048 4.2048 4.2797 4.2797 4.8650 4.8650 5.0842 5.0842 5.4759 5.4759 6.1683 6.1683 6.2097 6.2097 9.2168 9.2168 9.2509 9.2509 10.4827 10.4827 10.9582 10.9583 11.0928 11.0928 k = 0.6544-0.5843-1.2767 ( 5505 PWs) bands (ev): -20.1246 -20.1246 -20.1244 -20.1244 -11.0795 -11.0795 -10.8408 -10.8408 -9.1542 -9.1542 -6.9666 -6.9666 -6.5124 -6.5124 -5.1453 -5.1453 -5.0091 -5.0091 -4.6933 -4.6933 -4.3063 -4.3063 2.0485 2.0485 2.3056 2.3056 2.3951 2.3951 2.4350 2.4350 3.3317 3.3317 3.3881 3.3881 3.7800 3.7800 4.2035 4.2035 4.2733 4.2733 4.8644 4.8644 5.0840 5.0840 5.4747 5.4747 6.1669 6.1669 6.2119 6.2119 9.1812 9.1812 9.2862 9.2862 10.5103 10.5103 10.9696 10.9696 11.0622 11.0622 k = 0.6477-0.5541-1.2767 ( 5513 PWs) bands (ev): -20.1250 -20.1250 -20.1246 -20.1246 -11.0786 -11.0786 -10.8400 -10.8400 -9.1542 -9.1542 -6.9646 -6.9646 -6.5142 -6.5142 -5.1423 -5.1423 -5.0079 -5.0079 -4.6945 -4.6945 -4.3083 -4.3083 2.0492 2.0492 2.2921 2.2921 2.3953 2.3953 2.4452 2.4452 3.3284 3.3284 3.3972 3.3972 3.7792 3.7792 4.2006 4.2006 4.2698 4.2698 4.8632 4.8632 5.0836 5.0836 5.4727 5.4727 6.1645 6.1645 6.2143 6.2143 9.1446 9.1446 9.3263 9.3263 10.5367 10.5367 10.9738 10.9738 11.0289 11.0289 k = 0.6410-0.5239-1.2767 ( 5509 PWs) bands (ev): -20.1254 -20.1254 -20.1249 -20.1249 -11.0775 -11.0775 -10.8389 -10.8389 -9.1541 -9.1541 -6.9617 -6.9617 -6.5167 -6.5167 -5.1380 -5.1380 -5.0062 -5.0062 -4.6960 -4.6960 -4.3114 -4.3114 2.0488 2.0488 2.2779 2.2779 2.3957 2.3957 2.4576 2.4576 3.3247 3.3247 3.4054 3.4054 3.7766 3.7766 4.1965 4.1965 4.2691 4.2691 4.8616 4.8616 5.0831 5.0831 5.4700 5.4700 6.1615 6.1615 6.2166 6.2166 9.1089 9.1089 9.3692 9.3692 10.5606 10.5606 10.9681 10.9681 10.9975 10.9975 k = 0.6342-0.4936-1.2767 ( 5511 PWs) bands (ev): -20.1259 -20.1259 -20.1253 -20.1253 -11.0761 -11.0761 -10.8375 -10.8375 -9.1541 -9.1541 -6.9579 -6.9579 -6.5200 -6.5200 -5.1326 -5.1326 -5.0039 -5.0039 -4.6979 -4.6979 -4.3155 -4.3155 2.0474 2.0474 2.2633 2.2633 2.3965 2.3965 2.4717 2.4717 3.3207 3.3207 3.4126 3.4126 3.7723 3.7723 4.1921 4.1921 4.2708 4.2708 4.8595 4.8595 5.0825 5.0825 5.4668 5.4668 6.1579 6.1579 6.2189 6.2189 9.0740 9.0740 9.4144 9.4144 10.5809 10.5809 10.9450 10.9450 10.9799 10.9799 k = 0.6275-0.4634-1.2767 ( 5505 PWs) bands (ev): -20.1264 -20.1264 -20.1258 -20.1258 -11.0744 -11.0744 -10.8360 -10.8360 -9.1539 -9.1539 -6.9533 -6.9533 -6.5242 -6.5242 -5.1261 -5.1261 -5.0010 -5.0010 -4.7002 -4.7002 -4.3208 -4.3208 2.0451 2.0451 2.2487 2.2487 2.3978 2.3978 2.4869 2.4869 3.3164 3.3164 3.4186 3.4186 3.7662 3.7662 4.1881 4.1881 4.2744 4.2744 4.8568 4.8568 5.0818 5.0818 5.4632 5.4632 6.1539 6.1539 6.2209 6.2209 9.0400 9.0400 9.4616 9.4616 10.5960 10.5960 10.9137 10.9137 10.9711 10.9711 k = 0.6208-0.4332-1.2767 ( 5509 PWs) bands (ev): -20.1271 -20.1271 -20.1263 -20.1263 -11.0726 -11.0726 -10.8343 -10.8343 -9.1537 -9.1537 -6.9478 -6.9478 -6.5291 -6.5291 -5.1185 -5.1185 -4.9975 -4.9975 -4.7027 -4.7027 -4.3273 -4.3273 2.0418 2.0418 2.2343 2.2343 2.3995 2.3995 2.5028 2.5028 3.3120 3.3120 3.4234 3.4234 3.7585 3.7585 4.1851 4.1851 4.2794 4.2794 4.8535 4.8535 5.0812 5.0812 5.4593 5.4593 6.1495 6.1495 6.2227 6.2227 9.0071 9.0071 9.5100 9.5100 10.6045 10.6045 10.8850 10.8850 10.9643 10.9643 k = 0.6141-0.4029-1.2767 ( 5505 PWs) bands (ev): -20.1277 -20.1277 -20.1269 -20.1269 -11.0706 -11.0706 -10.8325 -10.8325 -9.1534 -9.1534 -6.9414 -6.9414 -6.5349 -6.5349 -5.1101 -5.1101 -4.9933 -4.9933 -4.7055 -4.7055 -4.3350 -4.3350 2.0378 2.0378 2.2201 2.2201 2.4019 2.4019 2.5192 2.5192 3.3075 3.3075 3.4271 3.4271 3.7492 3.7492 4.1832 4.1832 4.2857 4.2857 4.8498 4.8498 5.0806 5.0806 5.4553 5.4553 6.1448 6.1448 6.2242 6.2242 8.9753 8.9753 9.5589 9.5589 10.6053 10.6053 10.8623 10.8623 10.9590 10.9590 k = 0.6074-0.3727-1.2767 ( 5503 PWs) bands (ev): -20.1284 -20.1284 -20.1275 -20.1275 -11.0685 -11.0685 -10.8306 -10.8306 -9.1531 -9.1531 -6.9341 -6.9341 -6.5414 -6.5414 -5.1008 -5.1008 -4.9885 -4.9885 -4.7083 -4.7083 -4.3438 -4.3438 2.0331 2.0331 2.2063 2.2063 2.4049 2.4049 2.5358 2.5358 3.3028 3.3028 3.4294 3.4294 3.7386 3.7386 4.1827 4.1827 4.2930 4.2930 4.8455 4.8455 5.0800 5.0800 5.4512 5.4512 6.1398 6.1398 6.2254 6.2254 8.9447 8.9447 9.6074 9.6074 10.5990 10.5990 10.8468 10.8468 10.9553 10.9553 k = 0.6007-0.3425-1.2767 ( 5500 PWs) bands (ev): -20.1292 -20.1292 -20.1282 -20.1282 -11.0663 -11.0663 -10.8287 -10.8287 -9.1527 -9.1527 -6.9261 -6.9261 -6.5487 -6.5487 -5.0910 -5.0910 -4.9831 -4.9831 -4.7113 -4.7113 -4.3539 -4.3539 2.0277 2.0277 2.1930 2.1930 2.4085 2.4085 2.5524 2.5524 3.2982 3.2982 3.4306 3.4306 3.7271 3.7271 4.1835 4.1835 4.3012 4.3012 4.8408 4.8408 5.0795 5.0795 5.4472 5.4472 6.1346 6.1346 6.2263 6.2263 8.9153 8.9153 9.6542 9.6542 10.5878 10.5878 10.8376 10.8376 10.9534 10.9534 k = 0.5940-0.3122-1.2767 ( 5496 PWs) bands (ev): -20.1299 -20.1299 -20.1288 -20.1288 -11.0641 -11.0641 -10.8267 -10.8267 -9.1522 -9.1522 -6.9173 -6.9173 -6.5568 -6.5568 -5.0807 -5.0807 -4.9770 -4.9770 -4.7141 -4.7141 -4.3651 -4.3651 2.0219 2.0219 2.1803 2.1803 2.4126 2.4126 2.5687 2.5687 3.2937 3.2937 3.4306 3.4306 3.7149 3.7149 4.1854 4.1854 4.3102 4.3102 4.8357 4.8357 5.0792 5.0792 5.4432 5.4432 6.1294 6.1294 6.2270 6.2270 8.8871 8.8871 9.6980 9.6980 10.5754 10.5754 10.8327 10.8327 10.9531 10.9531 k = 0.5873-0.2820-1.2767 ( 5498 PWs) bands (ev): -20.1307 -20.1307 -20.1295 -20.1295 -11.0619 -11.0619 -10.8248 -10.8248 -9.1516 -9.1516 -6.9077 -6.9077 -6.5656 -6.5656 -5.0701 -5.0701 -4.9704 -4.9704 -4.7167 -4.7167 -4.3776 -4.3776 2.0158 2.0158 2.1682 2.1682 2.4173 2.4173 2.5845 2.5845 3.2892 3.2892 3.4294 3.4294 3.7024 3.7024 4.1883 4.1883 4.3198 4.3198 4.8302 4.8302 5.0789 5.0789 5.4394 5.4394 6.1240 6.1240 6.2274 6.2274 8.8604 8.8604 9.7372 9.7372 10.5656 10.5656 10.8304 10.8304 10.9544 10.9544 k = 0.5805-0.2518-1.2767 ( 5498 PWs) bands (ev): -20.1314 -20.1314 -20.1302 -20.1302 -11.0598 -11.0598 -10.8229 -10.8229 -9.1511 -9.1511 -6.8974 -6.8974 -6.5751 -6.5751 -5.0595 -5.0595 -4.9631 -4.9631 -4.7190 -4.7190 -4.3911 -4.3911 2.0094 2.0094 2.1568 2.1568 2.4224 2.4224 2.5997 2.5997 3.2849 3.2849 3.4272 3.4272 3.6898 3.6898 4.1919 4.1919 4.3300 4.3300 4.8245 4.8245 5.0787 5.0787 5.4358 5.4358 6.1185 6.1185 6.2276 6.2276 8.8352 8.8352 9.7702 9.7702 10.5614 10.5614 10.8294 10.8294 10.9571 10.9571 k = 0.5738-0.2215-1.2767 ( 5496 PWs) bands (ev): -20.1321 -20.1321 -20.1309 -20.1309 -11.0576 -11.0576 -10.8211 -10.8211 -9.1505 -9.1505 -6.8865 -6.8865 -6.5853 -6.5853 -5.0490 -5.0490 -4.9555 -4.9555 -4.7206 -4.7206 -4.4057 -4.4057 2.0030 2.0030 2.1460 2.1460 2.4278 2.4278 2.6142 2.6142 3.2808 3.2808 3.4242 3.4242 3.6775 3.6775 4.1961 4.1961 4.3405 4.3405 4.8186 4.8186 5.0786 5.0786 5.4324 5.4324 6.1131 6.1131 6.2277 6.2277 8.8115 8.8115 9.7958 9.7958 10.5648 10.5648 10.8294 10.8294 10.9609 10.9609 k = 0.5671-0.1913-1.2767 ( 5496 PWs) bands (ev): -20.1328 -20.1328 -20.1315 -20.1315 -11.0556 -11.0556 -10.8194 -10.8194 -9.1498 -9.1498 -6.8749 -6.8749 -6.5960 -6.5960 -5.0388 -5.0388 -4.9476 -4.9476 -4.7213 -4.7213 -4.4212 -4.4212 1.9966 1.9966 2.1361 2.1361 2.4334 2.4334 2.6278 2.6278 3.2769 3.2769 3.4204 3.4204 3.6657 3.6657 4.2006 4.2006 4.3512 4.3512 4.8126 4.8126 5.0786 5.0786 5.4293 5.4293 6.1079 6.1079 6.2276 6.2276 8.7895 8.7895 9.8134 9.8134 10.5764 10.5764 10.8305 10.8305 10.9657 10.9657 k = 0.5604-0.1611-1.2767 ( 5494 PWs) bands (ev): -20.1335 -20.1335 -20.1321 -20.1321 -11.0537 -11.0537 -10.8178 -10.8178 -9.1492 -9.1492 -6.8629 -6.8629 -6.6073 -6.6073 -5.0289 -5.0289 -4.9397 -4.9397 -4.7209 -4.7209 -4.4377 -4.4377 1.9903 1.9903 2.1270 2.1270 2.4392 2.4392 2.6404 2.6404 3.2733 3.2733 3.4160 3.4160 3.6546 3.6546 4.2053 4.2053 4.3618 4.3618 4.8067 4.8067 5.0786 5.0786 5.4264 5.4264 6.1027 6.1027 6.2273 6.2273 8.7692 8.7692 9.8233 9.8233 10.5952 10.5952 10.8339 10.8339 10.9710 10.9710 k = 0.5537-0.1309-1.2767 ( 5500 PWs) bands (ev): -20.1341 -20.1341 -20.1327 -20.1327 -11.0519 -11.0519 -10.8163 -10.8163 -9.1486 -9.1486 -6.8503 -6.8503 -6.6191 -6.6191 -5.0197 -5.0197 -4.9321 -4.9321 -4.7191 -4.7191 -4.4548 -4.4548 1.9844 1.9844 2.1187 2.1187 2.4449 2.4449 2.6519 2.6519 3.2701 3.2701 3.4113 3.4113 3.6444 3.6444 4.2100 4.2100 4.3723 4.3723 4.8009 4.8009 5.0786 5.0786 5.4237 5.4237 6.0979 6.0979 6.2271 6.2271 8.7508 8.7508 9.8266 9.8266 10.6185 10.6185 10.8409 10.8409 10.9767 10.9767 k = 0.5470-0.1006-1.2767 ( 5504 PWs) bands (ev): -20.1347 -20.1347 -20.1332 -20.1332 -11.0503 -11.0503 -10.8149 -10.8149 -9.1480 -9.1480 -6.8374 -6.8374 -6.6314 -6.6314 -5.0111 -5.0111 -4.9253 -4.9253 -4.7155 -4.7155 -4.4725 -4.4725 1.9789 1.9789 2.1113 2.1113 2.4505 2.4505 2.6622 2.6622 3.2671 3.2671 3.4064 3.4064 3.6351 3.6351 4.2144 4.2144 4.3822 4.3822 4.7953 4.7953 5.0788 5.0788 5.4214 5.4214 6.0933 6.0933 6.2267 6.2267 8.7343 8.7343 9.8248 9.8248 10.6424 10.6424 10.8537 10.8537 10.9824 10.9824 k = 0.5403-0.0704-1.2767 ( 5502 PWs) bands (ev): -20.1352 -20.1352 -20.1337 -20.1337 -11.0489 -11.0489 -10.8138 -10.8138 -9.1474 -9.1474 -6.8242 -6.8242 -6.6440 -6.6440 -5.0032 -5.0032 -4.9194 -4.9194 -4.7100 -4.7100 -4.4906 -4.4906 1.9738 1.9738 2.1049 2.1049 2.4557 2.4557 2.6712 2.6712 3.2645 3.2645 3.4016 3.4016 3.6270 3.6270 4.2186 4.2186 4.3916 4.3916 4.7902 4.7902 5.0789 5.0789 5.4194 5.4194 6.0892 6.0892 6.2263 6.2263 8.7199 8.7199 9.8198 9.8198 10.6632 10.6632 10.8740 10.8740 10.9880 10.9880 k = 0.5336-0.0402-1.2767 ( 5504 PWs) bands (ev): -20.1356 -20.1356 -20.1341 -20.1341 -11.0476 -11.0476 -10.8127 -10.8127 -9.1469 -9.1469 -6.8109 -6.8109 -6.6567 -6.6567 -4.9961 -4.9961 -4.9148 -4.9148 -4.7026 -4.7026 -4.5088 -4.5088 1.9694 1.9694 2.0993 2.0993 2.4604 2.4604 2.6790 2.6790 3.2622 3.2622 3.3971 3.3971 3.6201 3.6201 4.2223 4.2223 4.4000 4.4000 4.7855 4.7855 5.0790 5.0790 5.4177 5.4177 6.0856 6.0856 6.2260 6.2260 8.7075 8.7075 9.8130 9.8130 10.6783 10.6783 10.9015 10.9015 10.9931 10.9931 k = 0.5268-0.0099-1.2767 ( 5500 PWs) bands (ev): -20.1359 -20.1359 -20.1345 -20.1345 -11.0466 -11.0466 -10.8119 -10.8119 -9.1465 -9.1465 -6.7976 -6.7976 -6.6696 -6.6696 -4.9900 -4.9900 -4.9113 -4.9113 -4.6935 -4.6935 -4.5267 -4.5267 1.9657 1.9657 2.0948 2.0948 2.4645 2.4645 2.6853 2.6853 3.2603 3.2603 3.3931 3.3931 3.6143 3.6143 4.2255 4.2255 4.4072 4.4072 4.7815 4.7815 5.0791 5.0791 5.4163 5.4163 6.0825 6.0825 6.2257 6.2257 8.6973 8.6973 9.8058 9.8058 10.6880 10.6880 10.9336 10.9336 10.9977 10.9977 k = 0.5201 0.0203-1.2767 ( 5514 PWs) bands (ev): -20.1362 -20.1362 -20.1347 -20.1347 -11.0458 -11.0458 -10.8112 -10.8112 -9.1462 -9.1462 -6.7847 -6.7847 -6.6821 -6.6821 -4.9850 -4.9850 -4.9091 -4.9091 -4.6833 -4.6833 -4.5435 -4.5435 1.9627 1.9627 2.0912 2.0912 2.4678 2.4678 2.6903 2.6903 3.2588 3.2588 3.3897 3.3897 3.6098 3.6098 4.2280 4.2280 4.4131 4.4131 4.7782 4.7782 5.0792 5.0792 5.4151 5.4151 6.0800 6.0800 6.2254 6.2254 8.6893 8.6893 9.7992 9.7992 10.6934 10.6934 10.9659 10.9659 11.0015 11.0015 k = 0.5134 0.0505-1.2767 ( 5520 PWs) bands (ev): -20.1364 -20.1364 -20.1349 -20.1349 -11.0452 -11.0452 -10.8107 -10.8107 -9.1459 -9.1459 -6.7728 -6.7728 -6.6937 -6.6937 -4.9812 -4.9812 -4.9077 -4.9077 -4.6731 -4.6731 -4.5584 -4.5584 1.9605 1.9605 2.0887 2.0887 2.4703 2.4703 2.6939 2.6939 3.2578 3.2578 3.3872 3.3872 3.6066 3.6066 4.2299 4.2299 4.4175 4.4175 4.7757 4.7757 5.0793 5.0793 5.4143 5.4143 6.0781 6.0781 6.2252 6.2252 8.6836 8.6836 9.7940 9.7940 10.6963 10.6963 10.9932 10.9932 11.0046 11.0046 k = 0.5067 0.0808-1.2767 ( 5518 PWs) bands (ev): -20.1366 -20.1366 -20.1351 -20.1351 -11.0449 -11.0449 -10.8104 -10.8104 -9.1458 -9.1458 -6.7634 -6.7634 -6.7029 -6.7029 -4.9788 -4.9788 -4.9070 -4.9070 -4.6650 -4.6650 -4.5693 -4.5693 1.9592 1.9592 2.0872 2.0872 2.4718 2.4718 2.6961 2.6961 3.2571 3.2571 3.3857 3.3857 3.6047 3.6047 4.2310 4.2310 4.4202 4.4202 4.7742 4.7742 5.0793 5.0793 5.4139 5.4139 6.0771 6.0771 6.2251 6.2251 8.6801 8.6801 9.7907 9.7907 10.6976 10.6976 11.0050 11.0050 11.0133 11.0133 k = 0.5000 0.1110-1.2767 ( 5522 PWs) bands (ev): -20.1366 -20.1366 -20.1351 -20.1351 -11.0447 -11.0447 -10.8103 -10.8103 -9.1457 -9.1457 -6.7596 -6.7596 -6.7067 -6.7067 -4.9780 -4.9780 -4.9068 -4.9068 -4.6618 -4.6618 -4.5735 -4.5735 1.9588 1.9588 2.0866 2.0866 2.4723 2.4723 2.6968 2.6968 3.2569 3.2569 3.3852 3.3852 3.6040 3.6040 4.2314 4.2314 4.4211 4.4211 4.7737 4.7737 5.0793 5.0793 5.4137 5.4137 6.0767 6.0767 6.2250 6.2250 8.6790 8.6790 9.7896 9.7896 10.6980 10.6980 11.0059 11.0059 11.0197 11.0197 k = 0.5000 0.1110-1.2767 ( 5522 PWs) bands (ev): -20.1366 -20.1366 -20.1351 -20.1351 -11.0447 -11.0447 -10.8103 -10.8103 -9.1457 -9.1457 -6.7596 -6.7596 -6.7067 -6.7067 -4.9780 -4.9780 -4.9068 -4.9068 -4.6618 -4.6618 -4.5735 -4.5735 1.9588 1.9588 2.0866 2.0866 2.4723 2.4723 2.6968 2.6968 3.2569 3.2569 3.3852 3.3852 3.6040 3.6040 4.2314 4.2314 4.4211 4.4211 4.7737 4.7737 5.0793 5.0793 5.4137 5.4137 6.0767 6.0767 6.2250 6.2250 8.6790 8.6790 9.7896 9.7896 10.6980 10.6980 11.0059 11.0059 11.0197 11.0197 k = 0.5268 0.1170-1.2657 ( 5520 PWs) bands (ev): -20.1366 -20.1366 -20.1351 -20.1351 -11.0447 -11.0447 -10.8104 -10.8104 -9.1457 -9.1457 -6.7597 -6.7597 -6.7066 -6.7066 -4.9780 -4.9780 -4.9069 -4.9069 -4.6623 -4.6623 -4.5729 -4.5729 1.9568 1.9568 2.0890 2.0890 2.4723 2.4723 2.6967 2.6967 3.2572 3.2572 3.3856 3.3856 3.6032 3.6032 4.2311 4.2311 4.4207 4.4207 4.7738 4.7738 5.0793 5.0793 5.4138 5.4138 6.0768 6.0768 6.2251 6.2251 8.6785 8.6785 9.7899 9.7899 10.6980 10.6980 11.0004 11.0004 11.0211 11.0211 k = 0.5537 0.1229-1.2547 ( 5516 PWs) bands (ev): -20.1366 -20.1366 -20.1351 -20.1351 -11.0445 -11.0445 -10.8105 -10.8105 -9.1457 -9.1457 -6.7602 -6.7602 -6.7061 -6.7061 -4.9778 -4.9778 -4.9071 -4.9071 -4.6636 -4.6636 -4.5714 -4.5714 1.9514 1.9514 2.0956 2.0956 2.4723 2.4723 2.6962 2.6962 3.2583 3.2583 3.3868 3.3868 3.6006 3.6006 4.2303 4.2303 4.4195 4.4195 4.7739 4.7739 5.0794 5.0794 5.4140 5.4140 6.0770 6.0770 6.2252 6.2252 8.6773 8.6773 9.7909 9.7909 10.6981 10.6981 10.9877 10.9877 11.0222 11.0222 k = 0.5805 0.1289-1.2436 ( 5519 PWs) bands (ev): -20.1367 -20.1367 -20.1352 -20.1352 -11.0441 -11.0441 -10.8106 -10.8106 -9.1456 -9.1456 -6.7609 -6.7609 -6.7054 -6.7054 -4.9775 -4.9775 -4.9074 -4.9074 -4.6658 -4.6658 -4.5689 -4.5689 1.9434 1.9434 2.1054 2.1054 2.4723 2.4723 2.6955 2.6955 3.2601 3.2601 3.3887 3.3887 3.5965 3.5965 4.2290 4.2290 4.4176 4.4176 4.7741 4.7741 5.0794 5.0794 5.4143 5.4143 6.0774 6.0774 6.2254 6.2254 8.6753 8.6753 9.7925 9.7925 10.6982 10.6982 10.9704 10.9704 11.0215 11.0215 k = 0.6074 0.1349-1.2326 ( 5517 PWs) bands (ev): -20.1367 -20.1367 -20.1352 -20.1352 -11.0436 -11.0436 -10.8108 -10.8108 -9.1455 -9.1455 -6.7619 -6.7619 -6.7045 -6.7045 -4.9772 -4.9772 -4.9079 -4.9079 -4.6685 -4.6685 -4.5658 -4.5658 1.9339 1.9339 2.1174 2.1174 2.4724 2.4724 2.6945 2.6945 3.2624 3.2624 3.3914 3.3914 3.5907 3.5907 4.2273 4.2273 4.4150 4.4150 4.7743 4.7743 5.0794 5.0794 5.4148 5.4148 6.0779 6.0779 6.2257 6.2257 8.6727 8.6727 9.7946 9.7946 10.6984 10.6984 10.9500 10.9500 11.0193 11.0193 k = 0.6342 0.1408-1.2216 ( 5521 PWs) bands (ev): -20.1367 -20.1367 -20.1353 -20.1353 -11.0430 -11.0430 -10.8109 -10.8109 -9.1454 -9.1454 -6.7631 -6.7631 -6.7033 -6.7033 -4.9767 -4.9767 -4.9084 -4.9084 -4.6717 -4.6717 -4.5622 -4.5622 1.9237 1.9237 2.1307 2.1307 2.4726 2.4726 2.6933 2.6933 3.2654 3.2654 3.3948 3.3948 3.5835 3.5835 4.2252 4.2252 4.4118 4.4118 4.7746 4.7746 5.0795 5.0795 5.4153 5.4153 6.0785 6.0785 6.2260 6.2260 8.6694 8.6694 9.7972 9.7972 10.6984 10.6984 10.9279 10.9279 11.0160 11.0160 k = 0.6611 0.1468-1.2105 ( 5512 PWs) bands (ev): -20.1368 -20.1368 -20.1354 -20.1354 -11.0423 -11.0423 -10.8112 -10.8112 -9.1452 -9.1452 -6.7644 -6.7644 -6.7020 -6.7020 -4.9762 -4.9762 -4.9091 -4.9091 -4.6750 -4.6750 -4.5583 -4.5583 1.9134 1.9134 2.1446 2.1446 2.4730 2.4730 2.6920 2.6920 3.2689 3.2689 3.3987 3.3987 3.5750 3.5750 4.2227 4.2227 4.4079 4.4079 4.7750 4.7750 5.0795 5.0795 5.4159 5.4159 6.0792 6.0792 6.2264 6.2264 8.6659 8.6659 9.8002 9.8002 10.6983 10.6983 10.9053 10.9053 11.0118 11.0118 k = 0.6611 0.1468-1.2105 ( 5512 PWs) bands (ev): -20.1368 -20.1368 -20.1354 -20.1354 -11.0423 -11.0423 -10.8112 -10.8112 -9.1452 -9.1452 -6.7644 -6.7644 -6.7020 -6.7020 -4.9762 -4.9762 -4.9091 -4.9091 -4.6750 -4.6750 -4.5583 -4.5583 1.9134 1.9134 2.1446 2.1446 2.4730 2.4730 2.6920 2.6920 3.2689 3.2689 3.3987 3.3987 3.5750 3.5750 4.2227 4.2227 4.4079 4.4079 4.7750 4.7750 5.0795 5.0795 5.4159 5.4159 6.0792 6.0792 6.2264 6.2264 8.6659 8.6659 9.8002 9.8002 10.6983 10.6983 10.9053 10.9053 11.0118 11.0118 k = 0.6573 0.1459-1.1801 ( 5512 PWs) bands (ev): -20.1373 -20.1373 -20.1359 -20.1359 -11.0405 -11.0405 -10.8092 -10.8092 -9.1460 -9.1460 -6.7662 -6.7662 -6.6995 -6.6995 -4.9750 -4.9750 -4.9098 -4.9098 -4.6743 -4.6743 -4.5573 -4.5573 1.9161 1.9161 2.1462 2.1462 2.4679 2.4679 2.6935 2.6935 3.2706 3.2706 3.3950 3.3950 3.5761 3.5761 4.2193 4.2193 4.4069 4.4069 4.7751 4.7751 5.0788 5.0788 5.4106 5.4106 6.0756 6.0756 6.2238 6.2238 8.6716 8.6716 9.8046 9.8046 10.6905 10.6905 10.9066 10.9066 11.0173 11.0173 k = 0.6534 0.1451-1.1497 ( 5504 PWs) bands (ev): -20.1380 -20.1380 -20.1366 -20.1366 -11.0377 -11.0377 -10.8062 -10.8062 -9.1472 -9.1472 -6.7687 -6.7687 -6.6960 -6.6960 -4.9734 -4.9734 -4.9105 -4.9105 -4.6732 -4.6732 -4.5559 -4.5559 1.9190 1.9190 2.1491 2.1491 2.4617 2.4617 2.6953 2.6953 3.2721 3.2721 3.3907 3.3907 3.5774 3.5774 4.2142 4.2142 4.4042 4.4042 4.7754 4.7754 5.0778 5.0778 5.4026 5.4026 6.0709 6.0709 6.2203 6.2203 8.6798 8.6798 9.8118 9.8118 10.6853 10.6853 10.8976 10.8976 11.0359 11.0359 k = 0.6496 0.1442-1.1193 ( 5506 PWs) bands (ev): -20.1390 -20.1390 -20.1375 -20.1375 -11.0341 -11.0341 -10.8023 -10.8023 -9.1489 -9.1489 -6.7715 -6.7715 -6.6916 -6.6916 -4.9715 -4.9715 -4.9111 -4.9111 -4.6717 -4.6717 -4.5542 -4.5542 1.9219 1.9219 2.1535 2.1535 2.4548 2.4548 2.6974 2.6974 3.2731 3.2731 3.3858 3.3858 3.5787 3.5787 4.2076 4.2076 4.3998 4.3998 4.7758 4.7758 5.0764 5.0764 5.3919 5.3919 6.0652 6.0652 6.2160 6.2160 8.6903 8.6903 9.8215 9.8215 10.6828 10.6828 10.8853 10.8853 11.0603 11.0603 k = 0.6458 0.1434-1.0889 ( 5503 PWs) bands (ev): -20.1402 -20.1402 -20.1387 -20.1387 -11.0295 -11.0295 -10.7973 -10.7973 -9.1509 -9.1509 -6.7746 -6.7746 -6.6867 -6.6867 -4.9692 -4.9692 -4.9115 -4.9115 -4.6700 -4.6700 -4.5521 -4.5521 1.9247 1.9247 2.1596 2.1596 2.4471 2.4471 2.6997 2.6997 3.2734 3.2734 3.3805 3.3805 3.5803 3.5803 4.1997 4.1997 4.3937 4.3937 4.7763 4.7763 5.0747 5.0747 5.3788 5.3788 6.0586 6.0586 6.2109 6.2109 8.7028 8.7028 9.8335 9.8335 10.6831 10.6831 10.8733 10.8733 11.0860 11.0860 k = 0.6419 0.1425-1.0585 ( 5520 PWs) bands (ev): -20.1416 -20.1416 -20.1400 -20.1400 -11.0241 -11.0241 -10.7914 -10.7914 -9.1533 -9.1533 -6.7778 -6.7778 -6.6814 -6.6814 -4.9668 -4.9668 -4.9116 -4.9116 -4.6680 -4.6680 -4.5497 -4.5497 1.9272 1.9272 2.1673 2.1673 2.4388 2.4388 2.7024 2.7024 3.2727 3.2727 3.3746 3.3746 3.5821 3.5821 4.1907 4.1907 4.3860 4.3860 4.7768 4.7768 5.0725 5.0725 5.3632 5.3632 6.0512 6.0512 6.2051 6.2051 8.7172 8.7172 9.8471 9.8471 10.6863 10.6863 10.8631 10.8631 11.1107 11.1107 k = 0.6381 0.1417-1.0281 ( 5505 PWs) bands (ev): -20.1433 -20.1433 -20.1416 -20.1416 -11.0179 -11.0179 -10.7846 -10.7846 -9.1561 -9.1561 -6.7810 -6.7810 -6.6758 -6.6758 -4.9643 -4.9643 -4.9112 -4.9112 -4.6658 -4.6658 -4.5471 -4.5471 1.9292 1.9292 2.1768 2.1768 2.4303 2.4303 2.7053 2.7053 3.2709 3.2709 3.3682 3.3682 3.5842 3.5842 4.1807 4.1807 4.3767 4.3767 4.7775 4.7775 5.0700 5.0700 5.3456 5.3456 6.0433 6.0433 6.1987 6.1987 8.7334 8.7334 9.8620 9.8620 10.6924 10.6924 10.8552 10.8552 11.1329 11.1329 k = 0.6342 0.1408-0.9977 ( 5507 PWs) bands (ev): -20.1452 -20.1452 -20.1433 -20.1433 -11.0108 -11.0108 -10.7769 -10.7769 -9.1592 -9.1592 -6.7842 -6.7842 -6.6699 -6.6699 -4.9619 -4.9619 -4.9100 -4.9100 -4.6635 -4.6635 -4.5443 -4.5443 1.9306 1.9306 2.1882 2.1882 2.4215 2.4215 2.7084 2.7084 3.2678 3.2678 3.3612 3.3612 3.5867 3.5867 4.1700 4.1700 4.3658 4.3658 4.7781 4.7781 5.0670 5.0670 5.3260 5.3260 6.0348 6.0348 6.1916 6.1916 8.7511 8.7511 9.8775 9.8775 10.7014 10.7014 10.8499 10.8499 11.1514 11.1514 k = 0.6304 0.1400-0.9673 ( 5505 PWs) bands (ev): -20.1472 -20.1472 -20.1453 -20.1453 -11.0030 -11.0030 -10.7683 -10.7683 -9.1626 -9.1626 -6.7871 -6.7871 -6.6639 -6.6639 -4.9597 -4.9597 -4.9080 -4.9080 -4.6611 -4.6611 -4.5414 -4.5414 1.9313 1.9313 2.2014 2.2014 2.4127 2.4127 2.7117 2.7117 3.2633 3.2633 3.3538 3.3538 3.5895 3.5895 4.1587 4.1587 4.3535 4.3535 4.7787 4.7787 5.0635 5.0635 5.3047 5.3047 6.0259 6.0259 6.1839 6.1839 8.7703 8.7703 9.8929 9.8929 10.7133 10.7133 10.8470 10.8470 11.1652 11.1652 k = 0.6266 0.1391-0.9369 ( 5507 PWs) bands (ev): -20.1495 -20.1495 -20.1475 -20.1475 -10.9944 -10.9944 -10.7590 -10.7590 -9.1664 -9.1664 -6.7899 -6.7899 -6.6579 -6.6579 -4.9577 -4.9577 -4.9051 -4.9051 -4.6586 -4.6586 -4.5383 -4.5383 1.9311 1.9311 2.2166 2.2166 2.4042 2.4042 2.7151 2.7151 3.2575 3.2575 3.3460 3.3460 3.5926 3.5926 4.1470 4.1470 4.3398 4.3398 4.7794 4.7794 5.0594 5.0594 5.2820 5.2820 6.0168 6.0168 6.1758 6.1758 8.7908 8.7908 9.9077 9.9077 10.7275 10.7275 10.8469 10.8469 11.1733 11.1733 k = 0.6227 0.1383-0.9066 ( 5513 PWs) bands (ev): -20.1519 -20.1519 -20.1498 -20.1498 -10.9852 -10.9852 -10.7488 -10.7488 -9.1703 -9.1703 -6.7924 -6.7924 -6.6518 -6.6518 -4.9561 -4.9561 -4.9011 -4.9011 -4.6561 -4.6561 -4.5352 -4.5352 1.9299 1.9299 2.2336 2.2336 2.3960 2.3960 2.7186 2.7186 3.2501 3.2501 3.3378 3.3378 3.5959 3.5959 4.1350 4.1350 4.3247 4.3247 4.7799 4.7799 5.0545 5.0545 5.2583 5.2583 6.0075 6.0075 6.1672 6.1672 8.8126 8.8126 9.9211 9.9211 10.7434 10.7434 10.8496 10.8496 11.1752 11.1752 k = 0.6189 0.1374-0.8762 ( 5503 PWs) bands (ev): -20.1545 -20.1545 -20.1522 -20.1522 -10.9754 -10.9754 -10.7380 -10.7380 -9.1745 -9.1745 -6.7947 -6.7947 -6.6459 -6.6459 -4.9547 -4.9547 -4.8962 -4.8962 -4.6536 -4.6536 -4.5322 -4.5322 1.9278 1.9278 2.2523 2.2523 2.3885 2.3885 2.7221 2.7221 3.2414 3.2414 3.3293 3.3293 3.5995 3.5995 4.1229 4.1229 4.3084 4.3084 4.7804 4.7804 5.0487 5.0487 5.2341 5.2341 5.9982 5.9982 6.1582 6.1582 8.8355 8.8355 9.9327 9.9327 10.7598 10.7598 10.8560 10.8560 11.1704 11.1704 k = 0.6151 0.1366-0.8458 ( 5494 PWs) bands (ev): -20.1573 -20.1573 -20.1549 -20.1549 -10.9649 -10.9649 -10.7265 -10.7265 -9.1789 -9.1789 -6.7968 -6.7968 -6.6400 -6.6400 -4.9534 -4.9534 -4.8903 -4.8903 -4.6511 -4.6511 -4.5292 -4.5292 1.9247 1.9247 2.2724 2.2724 2.3818 2.3818 2.7256 2.7256 3.2313 3.2313 3.3207 3.3207 3.6031 3.6031 4.1107 4.1107 4.2909 4.2909 4.7807 4.7807 5.0417 5.0417 5.2098 5.2098 5.9890 5.9890 6.1489 6.1489 8.8594 8.8594 9.9418 9.9418 10.7748 10.7748 10.8669 10.8669 11.1589 11.1589 k = 0.6112 0.1357-0.8154 ( 5485 PWs) bands (ev): -20.1601 -20.1601 -20.1576 -20.1576 -10.9539 -10.9539 -10.7144 -10.7144 -9.1834 -9.1834 -6.7985 -6.7985 -6.6343 -6.6343 -4.9522 -4.9522 -4.8836 -4.8836 -4.6486 -4.6486 -4.5264 -4.5264 1.9207 1.9207 2.2934 2.2934 2.3765 2.3765 2.7289 2.7289 3.2200 3.2200 3.3121 3.3121 3.6067 3.6067 4.0986 4.0986 4.2723 4.2723 4.7808 4.7808 5.0330 5.0330 5.1863 5.1863 5.9799 5.9799 6.1393 6.1393 8.8844 8.8844 9.9481 9.9481 10.7870 10.7870 10.8827 10.8827 11.1413 11.1413 k = 0.6074 0.1349-0.7850 ( 5495 PWs) bands (ev): -20.1631 -20.1631 -20.1605 -20.1605 -10.9425 -10.9425 -10.7018 -10.7018 -9.1880 -9.1880 -6.7999 -6.7999 -6.6289 -6.6289 -4.9509 -4.9509 -4.8763 -4.8763 -4.6462 -4.6462 -4.5238 -4.5238 1.9158 1.9158 2.3143 2.3143 2.3735 2.3735 2.7321 2.7321 3.2077 3.2077 3.3037 3.3037 3.6101 3.6101 4.0865 4.0865 4.2527 4.2527 4.7806 4.7806 5.0221 5.0221 5.1642 5.1642 5.9710 5.9710 6.1295 6.1295 8.9103 8.9103 9.9514 9.9514 10.7957 10.7957 10.9024 10.9024 11.1187 11.1187 k = 0.6036 0.1340-0.7546 ( 5498 PWs) bands (ev): -20.1662 -20.1662 -20.1635 -20.1635 -10.9306 -10.9306 -10.6887 -10.6887 -9.1927 -9.1927 -6.8009 -6.8009 -6.6237 -6.6237 -4.9495 -4.9495 -4.8683 -4.8683 -4.6438 -4.6438 -4.5215 -4.5215 1.9100 1.9100 2.3323 2.3323 2.3756 2.3756 2.7350 2.7350 3.1944 3.1944 3.2955 3.2955 3.6133 3.6133 4.0746 4.0746 4.2322 4.2322 4.7800 4.7800 5.0086 5.0086 5.1444 5.1444 5.9624 5.9624 6.1196 6.1196 8.9369 8.9369 9.9515 9.9515 10.8013 10.8013 10.9224 10.9224 11.0939 11.0939 k = 0.5997 0.1332-0.7242 ( 5491 PWs) bands (ev): -20.1694 -20.1694 -20.1665 -20.1665 -10.9184 -10.9184 -10.6753 -10.6753 -9.1974 -9.1974 -6.8016 -6.8016 -6.6188 -6.6188 -4.9478 -4.9478 -4.8599 -4.8599 -4.6415 -4.6415 -4.5196 -4.5196 1.9034 1.9034 2.3422 2.3422 2.3878 2.3878 2.7375 2.7375 3.1806 3.1806 3.2877 3.2877 3.6161 3.6161 4.0628 4.0628 4.2109 4.2109 4.7788 4.7788 4.9923 4.9923 5.1274 5.1274 5.9542 5.9542 6.1096 6.1096 8.9643 8.9643 9.9483 9.9483 10.8043 10.8043 10.9358 10.9358 11.0734 11.0734 k = 0.5959 0.1323-0.6938 ( 5495 PWs) bands (ev): -20.1726 -20.1726 -20.1696 -20.1696 -10.9059 -10.9059 -10.6615 -10.6615 -9.2021 -9.2021 -6.8020 -6.8020 -6.6142 -6.6142 -4.9457 -4.9457 -4.8510 -4.8510 -4.6392 -4.6392 -4.5181 -4.5181 1.8962 1.8962 2.3450 2.3450 2.4088 2.4088 2.7396 2.7396 3.1664 3.1664 3.2804 3.2804 3.6185 3.6185 4.0512 4.0512 4.1889 4.1889 4.7769 4.7769 4.9733 4.9733 5.1135 5.1135 5.9464 5.9464 6.0996 6.0996 8.9922 8.9922 9.9420 9.9420 10.8046 10.8046 10.9314 10.9314 11.0683 11.0683 k = 0.5921 0.1315-0.6634 ( 5495 PWs) bands (ev): -20.1759 -20.1759 -20.1728 -20.1728 -10.8932 -10.8932 -10.6475 -10.6475 -9.2068 -9.2068 -6.8020 -6.8020 -6.6101 -6.6101 -4.9433 -4.9433 -4.8419 -4.8419 -4.6370 -4.6370 -4.5170 -4.5170 1.8883 1.8883 2.3456 2.3456 2.4336 2.4336 2.7413 2.7413 3.1522 3.1522 3.2737 3.2737 3.6204 3.6204 4.0396 4.0396 4.1664 4.1664 4.7740 4.7740 4.9525 4.9525 5.1023 5.1023 5.9390 5.9390 6.0896 6.0896 9.0204 9.0204 9.9327 9.9327 10.8008 10.8008 10.9073 10.9073 11.0817 11.0817 k = 0.5882 0.1306-0.6330 ( 5490 PWs) bands (ev): -20.1793 -20.1793 -20.1760 -20.1760 -10.8803 -10.8803 -10.6334 -10.6334 -9.2114 -9.2114 -6.8016 -6.8016 -6.6064 -6.6064 -4.9404 -4.9404 -4.8324 -4.8324 -4.6349 -4.6349 -4.5165 -4.5165 1.8799 1.8799 2.3461 2.3461 2.4598 2.4598 2.7424 2.7424 3.1382 3.1382 3.2677 3.2677 3.6217 3.6217 4.0281 4.0281 4.1435 4.1435 4.7695 4.7695 4.9309 4.9309 5.0933 5.0933 5.9322 5.9322 6.0798 6.0798 9.0486 9.0486 9.9206 9.9206 10.7888 10.7888 10.8764 10.8764 11.1054 11.1054 k = 0.5844 0.1297-0.6026 ( 5496 PWs) bands (ev): -20.1826 -20.1826 -20.1792 -20.1792 -10.8672 -10.8672 -10.6192 -10.6192 -9.2159 -9.2159 -6.8008 -6.8008 -6.6032 -6.6032 -4.9370 -4.9370 -4.8228 -4.8228 -4.6329 -4.6329 -4.5166 -4.5166 1.8711 1.8711 2.3473 2.3473 2.4863 2.4863 2.7429 2.7429 3.1249 3.1249 3.2624 3.2624 3.6225 3.6225 4.0165 4.0165 4.1203 4.1203 4.7630 4.7630 4.9098 4.9098 5.0860 5.0860 5.9258 5.9258 6.0701 6.0701 9.0766 9.0766 9.9059 9.9059 10.7605 10.7605 10.8538 10.8538 11.1327 11.1327 k = 0.5805 0.1289-0.5722 ( 5494 PWs) bands (ev): -20.1859 -20.1859 -20.1825 -20.1825 -10.8542 -10.8542 -10.6049 -10.6049 -9.2202 -9.2202 -6.7996 -6.7996 -6.6005 -6.6005 -4.9332 -4.9332 -4.8130 -4.8130 -4.6309 -4.6309 -4.5173 -4.5173 1.8620 1.8620 2.3493 2.3493 2.5126 2.5126 2.7429 2.7429 3.1127 3.1127 3.2580 3.2580 3.6226 3.6226 4.0047 4.0047 4.0969 4.0969 4.7536 4.7536 4.8906 4.8906 5.0800 5.0800 5.9200 5.9200 6.0607 6.0607 9.1040 9.1040 9.8889 9.8889 10.7158 10.7158 10.8431 10.8431 11.1605 11.1605 k = 0.5767 0.1280-0.5418 ( 5488 PWs) bands (ev): -20.1893 -20.1893 -20.1857 -20.1857 -10.8412 -10.8412 -10.5908 -10.5908 -9.2244 -9.2244 -6.7980 -6.7980 -6.5983 -6.5983 -4.9289 -4.9289 -4.8032 -4.8032 -4.6291 -4.6291 -4.5186 -4.5186 1.8526 1.8526 2.3524 2.3524 2.5379 2.5379 2.7422 2.7422 3.1019 3.1019 3.2545 3.2545 3.6222 3.6222 3.9927 3.9927 4.0736 4.0736 4.7410 4.7410 4.8743 4.8743 5.0750 5.0750 5.9147 5.9147 6.0515 6.0515 9.1304 9.1304 9.8698 9.8698 10.6622 10.6622 10.8389 10.8389 11.1874 11.1874 k = 0.5729 0.1272-0.5114 ( 5485 PWs) bands (ev): -20.1925 -20.1925 -20.1889 -20.1889 -10.8283 -10.8283 -10.5768 -10.5768 -9.2285 -9.2285 -6.7961 -6.7961 -6.5967 -6.5967 -4.9240 -4.9240 -4.7933 -4.7933 -4.6273 -4.6273 -4.5206 -4.5206 1.8431 1.8431 2.3564 2.3564 2.5620 2.5620 2.7409 2.7409 3.0930 3.0930 3.2518 3.2518 3.6212 3.6212 3.9804 3.9804 4.0504 4.0504 4.7248 4.7248 4.8614 4.8614 5.0708 5.0708 5.9100 5.9100 6.0427 6.0427 9.1556 9.1556 9.8489 9.8489 10.6047 10.6047 10.8379 10.8379 11.2127 11.2127 k = 0.5690 0.1263-0.4810 ( 5485 PWs) bands (ev): -20.1958 -20.1958 -20.1920 -20.1920 -10.8156 -10.8156 -10.5630 -10.5630 -9.2323 -9.2323 -6.7937 -6.7937 -6.5956 -6.5956 -4.9186 -4.9186 -4.7834 -4.7834 -4.6257 -4.6257 -4.5233 -4.5233 1.8336 1.8336 2.3615 2.3615 2.5842 2.5842 2.7391 2.7391 3.0864 3.0864 3.2501 3.2501 3.6197 3.6197 3.9675 3.9675 4.0276 4.0276 4.7056 4.7056 4.8518 4.8518 5.0671 5.0671 5.9059 5.9059 6.0343 6.0343 9.1789 9.1789 9.8262 9.8262 10.5459 10.5459 10.8388 10.8388 11.2357 11.2357 k = 0.5652 0.1255-0.4506 ( 5494 PWs) bands (ev): -20.1989 -20.1989 -20.1951 -20.1951 -10.8031 -10.8031 -10.5496 -10.5496 -9.2359 -9.2359 -6.7909 -6.7909 -6.5951 -6.5951 -4.9128 -4.9128 -4.7736 -4.7736 -4.6242 -4.6242 -4.5267 -4.5267 1.8241 1.8241 2.3675 2.3675 2.6041 2.6041 2.7369 2.7369 3.0824 3.0824 3.2492 3.2492 3.6176 3.6176 3.9539 3.9539 4.0054 4.0054 4.6843 4.6843 4.8448 4.8448 5.0638 5.0638 5.9022 5.9022 6.0264 6.0264 9.2002 9.2002 9.8019 9.8019 10.4872 10.4872 10.8416 10.8416 11.2560 11.2560 k = 0.5614 0.1246-0.4202 ( 5496 PWs) bands (ev): -20.2020 -20.2020 -20.1981 -20.1981 -10.7909 -10.7909 -10.5365 -10.5365 -9.2392 -9.2392 -6.7878 -6.7878 -6.5953 -6.5953 -4.9064 -4.9064 -4.7639 -4.7639 -4.6228 -4.6228 -4.5307 -4.5307 1.8147 1.8147 2.3744 2.3744 2.6212 2.6212 2.7342 2.7342 3.0814 3.0814 3.2493 3.2493 3.6151 3.6151 3.9395 3.9395 3.9840 3.9840 4.6618 4.6618 4.8397 4.8397 5.0610 5.0610 5.8991 5.8991 6.0189 6.0189 9.2191 9.2191 9.7759 9.7759 10.4297 10.4297 10.8464 10.8464 11.2726 11.2726 k = 0.5575 0.1238-0.3898 ( 5504 PWs) bands (ev): -20.2050 -20.2050 -20.2010 -20.2010 -10.7791 -10.7791 -10.5239 -10.5239 -9.2423 -9.2423 -6.7843 -6.7843 -6.5960 -6.5960 -4.8995 -4.8995 -4.7544 -4.7544 -4.6217 -4.6217 -4.5354 -4.5354 1.8055 1.8055 2.3822 2.3822 2.6352 2.6352 2.7313 2.7313 3.0836 3.0836 3.2502 3.2502 3.6121 3.6121 3.9241 3.9241 3.9637 3.9637 4.6388 4.6388 4.8361 4.8361 5.0586 5.0586 5.8965 5.8965 6.0121 6.0121 9.2354 9.2354 9.7484 9.7484 10.3742 10.3742 10.8534 10.8534 11.2826 11.2826 k = 0.5537 0.1229-0.3594 ( 5501 PWs) bands (ev): -20.2078 -20.2078 -20.2037 -20.2037 -10.7677 -10.7677 -10.5118 -10.5118 -9.2452 -9.2452 -6.7804 -6.7804 -6.5972 -6.5972 -4.8921 -4.8921 -4.7451 -4.7451 -4.6206 -4.6206 -4.5408 -4.5408 1.7966 1.7966 2.3906 2.3906 2.6460 2.6460 2.7282 2.7282 3.0890 3.0890 3.2520 3.2520 3.6088 3.6088 3.9077 3.9077 3.9445 3.9445 4.6161 4.6161 4.8334 4.8334 5.0564 5.0564 5.8943 5.8943 6.0058 6.0058 9.2490 9.2490 9.7193 9.7193 10.3215 10.3215 10.8629 10.8629 11.2805 11.2805 k = 0.5499 0.1221-0.3290 ( 5506 PWs) bands (ev): -20.2106 -20.2106 -20.2064 -20.2064 -10.7567 -10.7567 -10.5003 -10.5003 -9.2478 -9.2478 -6.7762 -6.7762 -6.5991 -6.5991 -4.8844 -4.8844 -4.7360 -4.7360 -4.6198 -4.6198 -4.5467 -4.5467 1.7880 1.7880 2.3996 2.3996 2.6536 2.6536 2.7251 2.7251 3.0973 3.0973 3.2545 3.2545 3.6051 3.6051 3.8904 3.8904 3.9264 3.9264 4.5941 4.5941 4.8313 4.8313 5.0545 5.0545 5.8924 5.8924 6.0001 6.0001 9.2599 9.2599 9.6888 9.6888 10.2720 10.2720 10.8751 10.8751 11.2683 11.2683 k = 0.5460 0.1212-0.2986 ( 5509 PWs) bands (ev): -20.2131 -20.2131 -20.2089 -20.2089 -10.7464 -10.7464 -10.4894 -10.4894 -9.2501 -9.2501 -6.7716 -6.7716 -6.6014 -6.6014 -4.8762 -4.8762 -4.7271 -4.7271 -4.6192 -4.6192 -4.5533 -4.5533 1.7798 1.7798 2.4090 2.4090 2.6583 2.6583 2.7219 2.7219 3.1083 3.1083 3.2578 3.2578 3.6011 3.6011 3.8727 3.8727 3.9092 3.9092 4.5731 4.5731 4.8297 4.8297 5.0529 5.0529 5.8909 5.8909 5.9951 5.9951 9.2682 9.2682 9.6571 9.6571 10.2260 10.2260 10.8900 10.8900 11.2521 11.2521 k = 0.5422 0.1204-0.2682 ( 5507 PWs) bands (ev): -20.2156 -20.2156 -20.2113 -20.2113 -10.7366 -10.7366 -10.4793 -10.4793 -9.2522 -9.2522 -6.7668 -6.7668 -6.6043 -6.6043 -4.8677 -4.8677 -4.7187 -4.7187 -4.6188 -4.6188 -4.5603 -4.5603 1.7721 1.7721 2.4187 2.4187 2.6606 2.6606 2.7188 2.7188 3.1213 3.1213 3.2618 3.2618 3.5968 3.5968 3.8549 3.8549 3.8928 3.8928 4.5534 4.5534 4.8284 4.8284 5.0515 5.0515 5.8896 5.8896 5.9908 5.9908 9.2742 9.2742 9.6247 9.6247 10.1838 10.1838 10.9076 10.9076 11.2344 11.2344 k = 0.5384 0.1195-0.2378 ( 5507 PWs) bands (ev): -20.2178 -20.2178 -20.2134 -20.2134 -10.7275 -10.7275 -10.4698 -10.4698 -9.2540 -9.2540 -6.7617 -6.7617 -6.6076 -6.6076 -4.8590 -4.8590 -4.7105 -4.7105 -4.6186 -4.6186 -4.5677 -4.5677 1.7648 1.7648 2.4285 2.4285 2.6610 2.6610 2.7156 2.7156 3.1357 3.1357 3.2665 3.2665 3.5923 3.5923 3.8374 3.8374 3.8770 3.8770 4.5352 4.5352 4.8274 4.8274 5.0503 5.0503 5.8884 5.8884 5.9872 5.9872 9.2782 9.2782 9.5919 9.5919 10.1454 10.1454 10.9276 10.9276 11.2165 11.2165 k = 0.5345 0.1187-0.2074 ( 5509 PWs) bands (ev): -20.2199 -20.2199 -20.2155 -20.2155 -10.7191 -10.7191 -10.4612 -10.4612 -9.2557 -9.2557 -6.7565 -6.7565 -6.6113 -6.6113 -4.8502 -4.8502 -4.7028 -4.7028 -4.6186 -4.6186 -4.5754 -4.5754 1.7582 1.7582 2.4383 2.4383 2.6601 2.6601 2.7125 2.7125 3.1507 3.1507 3.2718 3.2718 3.5876 3.5876 3.8205 3.8205 3.8619 3.8619 4.5186 4.5186 4.8265 4.8265 5.0492 5.0492 5.8875 5.8875 5.9842 5.9842 9.2806 9.2806 9.5594 9.5594 10.1108 10.1108 10.9495 10.9495 11.1990 11.1990 k = 0.5307 0.1178-0.1770 ( 5511 PWs) bands (ev): -20.2218 -20.2218 -20.2173 -20.2173 -10.7115 -10.7115 -10.4533 -10.4533 -9.2570 -9.2570 -6.7511 -6.7511 -6.6154 -6.6154 -4.8413 -4.8413 -4.6955 -4.6955 -4.6189 -4.6189 -4.5834 -4.5834 1.7521 1.7521 2.4477 2.4477 2.6584 2.6584 2.7093 2.7093 3.1657 3.1657 3.2779 3.2779 3.5827 3.5827 3.8044 3.8044 3.8476 3.8476 4.5037 4.5037 4.8258 4.8258 5.0484 5.0484 5.8866 5.8866 5.9819 5.9819 9.2816 9.2816 9.5279 9.5279 10.0799 10.0799 10.9729 10.9729 11.1825 11.1825 k = 0.5268 0.1170-0.1466 ( 5514 PWs) bands (ev): -20.2235 -20.2235 -20.2190 -20.2190 -10.7046 -10.7046 -10.4463 -10.4463 -9.2582 -9.2582 -6.7457 -6.7457 -6.6196 -6.6196 -4.8325 -4.8325 -4.6887 -4.6887 -4.6194 -4.6194 -4.5914 -4.5914 1.7466 1.7466 2.4566 2.4566 2.6562 2.6562 2.7063 2.7063 3.1800 3.1800 3.2846 3.2846 3.5777 3.5777 3.7894 3.7894 3.8342 3.8342 4.4905 4.4905 4.8252 4.8252 5.0476 5.0476 5.8858 5.8858 5.9801 5.9801 9.2817 9.2817 9.4982 9.4982 10.0526 10.0526 10.9971 10.9971 11.1672 11.1672 k = 0.5230 0.1161-0.1162 ( 5500 PWs) bands (ev): -20.2250 -20.2250 -20.2204 -20.2204 -10.6986 -10.6986 -10.4402 -10.4402 -9.2592 -9.2592 -6.7404 -6.7404 -6.6240 -6.6240 -4.8240 -4.8240 -4.6824 -4.6824 -4.6201 -4.6201 -4.5992 -4.5992 1.7419 1.7419 2.4648 2.4648 2.6539 2.6539 2.7035 2.7035 3.1930 3.1930 3.2918 3.2918 3.5727 3.5727 3.7756 3.7756 3.8221 3.8221 4.4791 4.4791 4.8247 4.8247 5.0470 5.0470 5.8851 5.8851 5.9788 5.9788 9.2812 9.2812 9.4709 9.4709 10.0288 10.0288 11.0212 11.0212 11.1535 11.1535 k = 0.5192 0.1153-0.0858 ( 5504 PWs) bands (ev): -20.2262 -20.2262 -20.2216 -20.2216 -10.6934 -10.6934 -10.4350 -10.4350 -9.2600 -9.2600 -6.7353 -6.7353 -6.6283 -6.6283 -4.8160 -4.8160 -4.6767 -4.6767 -4.6210 -4.6210 -4.6067 -4.6067 1.7378 1.7378 2.4721 2.4721 2.6517 2.6517 2.7009 2.7009 3.2042 3.2042 3.2995 3.2995 3.5678 3.5678 3.7634 3.7634 3.8114 3.8114 4.4695 4.4695 4.8243 4.8243 5.0465 5.0465 5.8844 5.8844 5.9779 5.9779 9.2803 9.2803 9.4467 9.4467 10.0087 10.0087 11.0446 11.0446 11.1417 11.1417 k = 0.5153 0.1144-0.0554 ( 5504 PWs) bands (ev): -20.2273 -20.2273 -20.2226 -20.2226 -10.6892 -10.6892 -10.4307 -10.4307 -9.2607 -9.2607 -6.7306 -6.7306 -6.6324 -6.6324 -4.8087 -4.8087 -4.6717 -4.6717 -4.6221 -4.6221 -4.6134 -4.6134 1.7344 1.7344 2.4784 2.4784 2.6497 2.6497 2.6987 2.6987 3.2133 3.2133 3.3071 3.3071 3.5632 3.5632 3.7529 3.7529 3.8023 3.8023 4.4617 4.4617 4.8240 4.8240 5.0462 5.0462 5.8838 5.8838 5.9773 5.9773 9.2793 9.2793 9.4261 9.4261 9.9921 9.9921 11.0661 11.0661 11.1318 11.1318 k = 0.5115 0.1136-0.0250 ( 5502 PWs) bands (ev): -20.2281 -20.2281 -20.2234 -20.2234 -10.6858 -10.6858 -10.4274 -10.4274 -9.2611 -9.2611 -6.7264 -6.7264 -6.6360 -6.6360 -4.8026 -4.8026 -4.6675 -4.6675 -4.6233 -4.6233 -4.6191 -4.6191 1.7318 1.7318 2.4834 2.4834 2.6481 2.6481 2.6969 2.6969 3.2203 3.2203 3.3141 3.3141 3.5591 3.5591 3.7444 3.7444 3.7951 3.7951 4.4557 4.4557 4.8237 4.8237 5.0459 5.0459 5.8834 5.8834 5.9770 5.9770 9.2784 9.2784 9.4095 9.4095 9.9792 9.9792 11.0847 11.0847 11.1243 11.1243 k = 0.5077 0.1127 0.0054 ( 5504 PWs) bands (ev): -20.2287 -20.2287 -20.2240 -20.2240 -10.6834 -10.6834 -10.4250 -10.4250 -9.2615 -9.2615 -6.7232 -6.7232 -6.6389 -6.6389 -4.7978 -4.7978 -4.6643 -4.6643 -4.6253 -4.6253 -4.6227 -4.6227 1.7299 1.7299 2.4870 2.4870 2.6469 2.6469 2.6955 2.6955 3.2252 3.2252 3.3197 3.3197 3.5558 3.5558 3.7381 3.7381 3.7899 3.7899 4.4514 4.4514 4.8235 4.8235 5.0457 5.0457 5.8830 5.8830 5.9768 5.9768 9.2776 9.2776 9.3975 9.3975 9.9699 9.9699 11.0987 11.0987 11.1195 11.1195 k = 0.5038 0.1119 0.0358 ( 5493 PWs) bands (ev): -20.2290 -20.2290 -20.2243 -20.2243 -10.6820 -10.6820 -10.4236 -10.4236 -9.2617 -9.2617 -6.7211 -6.7211 -6.6408 -6.6408 -4.7948 -4.7948 -4.6622 -4.6622 -4.6277 -4.6277 -4.6239 -4.6239 1.7287 1.7287 2.4893 2.4893 2.6462 2.6462 2.6947 2.6947 3.2281 3.2281 3.3235 3.3235 3.5536 3.5536 3.7342 3.7342 3.7867 3.7867 4.4488 4.4488 4.8235 4.8235 5.0456 5.0456 5.8828 5.8828 5.9767 5.9767 9.2771 9.2771 9.3901 9.3901 9.9643 9.9643 11.1059 11.1059 11.1185 11.1185 k = 0.5000 0.1110 0.0662 ( 5500 PWs) bands (ev): -20.2291 -20.2291 -20.2245 -20.2245 -10.6815 -10.6815 -10.4231 -10.4231 -9.2617 -9.2617 -6.7204 -6.7204 -6.6414 -6.6414 -4.7938 -4.7938 -4.6615 -4.6615 -4.6286 -4.6286 -4.6242 -4.6242 1.7283 1.7283 2.4900 2.4900 2.6459 2.6459 2.6945 2.6945 3.2291 3.2291 3.3248 3.3248 3.5529 3.5529 3.7329 3.7329 3.7857 3.7857 4.4479 4.4479 4.8234 4.8234 5.0455 5.0455 5.8828 5.8828 5.9767 5.9767 9.2769 9.2769 9.3877 9.3877 9.9624 9.9624 11.1073 11.1073 11.1193 11.1193 k = 0.5000-1.0705-0.6384 ( 5526 PWs) bands (ev): -20.1365 -20.1365 -20.1352 -20.1352 -11.0391 -11.0391 -10.8178 -10.8178 -9.1422 -9.1422 -6.7723 -6.7723 -6.6957 -6.6957 -4.9745 -4.9745 -4.9123 -4.9123 -4.7038 -4.7038 -4.5285 -4.5285 1.8335 1.8335 2.2422 2.2422 2.5071 2.5071 2.6733 2.6733 3.3167 3.3167 3.4500 3.4500 3.4622 3.4622 4.2050 4.2050 4.3599 4.3599 4.7787 4.7787 5.0816 5.0816 5.4334 5.4334 6.0993 6.0993 6.2396 6.2396 8.6129 8.6129 9.8277 9.8277 10.7009 10.7009 10.7877 10.7877 10.9369 10.9369 k = 0.5268-1.0612-0.6329 ( 5528 PWs) bands (ev): -20.1365 -20.1365 -20.1352 -20.1352 -11.0391 -11.0391 -10.8178 -10.8178 -9.1422 -9.1422 -6.7723 -6.7723 -6.6958 -6.6958 -4.9746 -4.9746 -4.9122 -4.9122 -4.7036 -4.7036 -4.5287 -4.5287 1.8342 1.8342 2.2415 2.2415 2.5067 2.5067 2.6734 2.6734 3.3157 3.3157 3.4511 3.4511 3.4622 3.4622 4.2051 4.2051 4.3604 4.3604 4.7786 4.7786 5.0816 5.0816 5.4332 5.4332 6.0991 6.0991 6.2394 6.2394 8.6134 8.6134 9.8274 9.8274 10.7022 10.7022 10.7866 10.7866 10.9382 10.9382 k = 0.5537-1.0520-0.6273 ( 5524 PWs) bands (ev): -20.1365 -20.1365 -20.1352 -20.1352 -11.0392 -11.0392 -10.8176 -10.8176 -9.1423 -9.1423 -6.7720 -6.7720 -6.6959 -6.6959 -4.9746 -4.9746 -4.9122 -4.9122 -4.7028 -4.7028 -4.5295 -4.5295 1.8360 1.8360 2.2394 2.2394 2.5053 2.5053 2.6739 2.6739 3.3132 3.3132 3.4527 3.4527 3.4637 3.4637 4.2057 4.2057 4.3620 4.3620 4.7785 4.7785 5.0816 5.0816 5.4327 5.4327 6.0984 6.0984 6.2390 6.2390 8.6150 8.6150 9.8264 9.8264 10.7057 10.7057 10.7837 10.7837 10.9422 10.9422 k = 0.5805-1.0427-0.6218 ( 5522 PWs) bands (ev): -20.1365 -20.1365 -20.1352 -20.1352 -11.0394 -11.0394 -10.8173 -10.8173 -9.1425 -9.1425 -6.7717 -6.7717 -6.6962 -6.6962 -4.9747 -4.9747 -4.9120 -4.9120 -4.7016 -4.7016 -4.5307 -4.5307 1.8391 1.8391 2.2358 2.2358 2.5030 2.5030 2.6748 2.6748 3.3093 3.3093 3.4517 3.4517 3.4694 3.4694 4.2066 4.2066 4.3646 4.3646 4.7783 4.7783 5.0815 5.0815 5.4319 5.4319 6.0974 6.0974 6.2384 6.2384 8.6176 8.6176 9.8249 9.8249 10.7111 10.7111 10.7799 10.7799 10.9481 10.9481 k = 0.6074-1.0335-0.6163 ( 5522 PWs) bands (ev): -20.1365 -20.1365 -20.1353 -20.1353 -11.0397 -11.0397 -10.8168 -10.8168 -9.1427 -9.1427 -6.7711 -6.7711 -6.6966 -6.6966 -4.9748 -4.9748 -4.9118 -4.9118 -4.7000 -4.7000 -4.5325 -4.5325 1.8434 1.8434 2.2307 2.2307 2.5001 2.5001 2.6759 2.6759 3.3046 3.3046 3.4482 3.4482 3.4786 3.4786 4.2079 4.2079 4.3681 4.3681 4.7781 4.7781 5.0814 5.0814 5.4308 5.4308 6.0960 6.0960 6.2374 6.2374 8.6211 8.6211 9.8229 9.8229 10.7174 10.7174 10.7765 10.7765 10.9556 10.9556 k = 0.6342-1.0242-0.6108 ( 5518 PWs) bands (ev): -20.1365 -20.1365 -20.1353 -20.1353 -11.0399 -11.0399 -10.8163 -10.8163 -9.1429 -9.1429 -6.7705 -6.7705 -6.6972 -6.6972 -4.9749 -4.9749 -4.9116 -4.9116 -4.6979 -4.6979 -4.5346 -4.5346 1.8488 1.8488 2.2242 2.2242 2.4966 2.4966 2.6774 2.6774 3.2995 3.2995 3.4433 3.4433 3.4899 3.4899 4.2094 4.2094 4.3723 4.3723 4.7778 4.7778 5.0812 5.0812 5.4294 5.4294 6.0943 6.0943 6.2363 6.2363 8.6254 8.6254 9.8204 9.8204 10.7227 10.7227 10.7763 10.7763 10.9639 10.9639 k = 0.6611-1.0150-0.6053 ( 5520 PWs) bands (ev): -20.1366 -20.1366 -20.1353 -20.1353 -11.0403 -11.0403 -10.8157 -10.8157 -9.1432 -9.1432 -6.7698 -6.7698 -6.6977 -6.6977 -4.9751 -4.9751 -4.9113 -4.9113 -4.6954 -4.6954 -4.5372 -4.5372 1.8554 1.8554 2.2162 2.2162 2.4928 2.4928 2.6791 2.6791 3.2943 3.2943 3.4376 3.4376 3.5022 3.5022 4.2111 4.2111 4.3771 4.3771 4.7774 4.7774 5.0810 5.0810 5.4278 5.4278 6.0924 6.0924 6.2350 6.2350 8.6304 8.6304 9.8176 9.8176 10.7243 10.7243 10.7819 10.7819 10.9725 10.9725 k = 0.6879-1.0057-0.5998 ( 5514 PWs) bands (ev): -20.1366 -20.1366 -20.1353 -20.1353 -11.0406 -11.0406 -10.8150 -10.8150 -9.1435 -9.1435 -6.7689 -6.7689 -6.6984 -6.6984 -4.9753 -4.9753 -4.9110 -4.9110 -4.6926 -4.6926 -4.5402 -4.5402 1.8630 1.8630 2.2069 2.2069 2.4889 2.4889 2.6811 2.6811 3.2893 3.2893 3.4312 3.4312 3.5152 3.5152 4.2130 4.2130 4.3824 4.3824 4.7770 4.7770 5.0808 5.0808 5.4260 5.4260 6.0902 6.0902 6.2336 6.2336 8.6360 8.6360 9.8146 9.8146 10.7219 10.7219 10.7941 10.7941 10.9811 10.9811 k = 0.7148-0.9965-0.5942 ( 5516 PWs) bands (ev): -20.1366 -20.1366 -20.1353 -20.1353 -11.0410 -11.0410 -10.8142 -10.8142 -9.1438 -9.1438 -6.7680 -6.7680 -6.6991 -6.6991 -4.9755 -4.9755 -4.9106 -4.9106 -4.6894 -4.6894 -4.5435 -4.5435 1.8716 1.8716 2.1963 2.1963 2.4851 2.4851 2.6832 2.6832 3.2844 3.2844 3.4244 3.4244 3.5283 3.5283 4.2150 4.2150 4.3878 4.3878 4.7766 4.7766 5.0805 5.0805 5.4241 5.4241 6.0880 6.0880 6.2321 6.2321 8.6420 8.6420 9.8114 9.8114 10.7172 10.7172 10.8113 10.8113 10.9893 10.9893 k = 0.7416-0.9872-0.5887 ( 5512 PWs) bands (ev): -20.1367 -20.1367 -20.1353 -20.1353 -11.0414 -11.0414 -10.8135 -10.8135 -9.1442 -9.1442 -6.7671 -6.7671 -6.6999 -6.6999 -4.9757 -4.9757 -4.9102 -4.9102 -4.6860 -4.6860 -4.5470 -4.5470 1.8811 1.8811 2.1845 2.1845 2.4815 2.4815 2.6854 2.6854 3.2800 3.2800 3.4176 3.4176 3.5411 3.5411 4.2171 4.2171 4.3933 4.3933 4.7762 4.7762 5.0803 5.0803 5.4221 5.4221 6.0856 6.0856 6.2306 6.2306 8.6481 8.6481 9.8083 9.8083 10.7118 10.7118 10.8320 10.8320 10.9966 10.9966 k = 0.7685-0.9780-0.5832 ( 5511 PWs) bands (ev): -20.1367 -20.1367 -20.1354 -20.1354 -11.0417 -11.0417 -10.8127 -10.8127 -9.1445 -9.1445 -6.7662 -6.7662 -6.7006 -6.7006 -4.9759 -4.9759 -4.9099 -4.9099 -4.6824 -4.6824 -4.5507 -4.5507 1.8913 1.8913 2.1718 2.1718 2.4782 2.4782 2.6877 2.6877 3.2759 3.2759 3.4109 3.4109 3.5534 3.5534 4.2191 4.2191 4.3986 4.3986 4.7758 4.7758 5.0800 5.0800 5.4200 5.4200 6.0833 6.0833 6.2291 6.2291 8.6543 8.6543 9.8053 9.8053 10.7065 10.7065 10.8551 10.8551 11.0029 11.0029 k = 0.7953-0.9687-0.5777 ( 5514 PWs) bands (ev): -20.1368 -20.1368 -20.1354 -20.1354 -11.0421 -11.0421 -10.8119 -10.8119 -9.1449 -9.1449 -6.7652 -6.7652 -6.7014 -6.7014 -4.9761 -4.9761 -4.9095 -4.9095 -4.6787 -4.6787 -4.5545 -4.5545 1.9022 1.9022 2.1584 2.1584 2.4754 2.4754 2.6899 2.6899 3.2721 3.2721 3.4045 3.4045 3.5647 3.5647 4.2210 4.2210 4.4035 4.4035 4.7754 4.7754 5.0798 5.0798 5.4179 5.4179 6.0812 6.0812 6.2277 6.2277 8.6602 8.6602 9.8026 9.8026 10.7019 10.7019 10.8799 10.8799 11.0080 11.0080 k = 0.8222-0.9595-0.5722 ( 5512 PWs) bands (ev): -20.1368 -20.1368 -20.1354 -20.1354 -11.0423 -11.0423 -10.8112 -10.8112 -9.1452 -9.1452 -6.7644 -6.7644 -6.7020 -6.7020 -4.9762 -4.9762 -4.9091 -4.9091 -4.6750 -4.6750 -4.5583 -4.5583 1.9134 1.9134 2.1446 2.1446 2.4730 2.4730 2.6920 2.6920 3.2689 3.2689 3.3987 3.3987 3.5750 3.5750 4.2227 4.2227 4.4079 4.4079 4.7750 4.7750 5.0795 5.0795 5.4159 5.4159 6.0792 6.0792 6.2264 6.2264 8.6659 8.6659 9.8002 9.8002 10.6983 10.6983 10.9053 10.9053 11.0118 11.0118 Writing output data file Ba2CuClO2.save init_run : 0.77s CPU 1.03s WALL ( 1 calls) electrons : 583.91s CPU 587.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 583.90s CPU 587.21s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.14s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.09s WALL ( 278 calls) cegterg : 544.14s CPU 546.91s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 471.82s CPU 473.89s WALL ( 9204 calls) s_psi : 8.62s CPU 8.66s WALL ( 9204 calls) g_psi : 0.36s CPU 0.36s WALL ( 8378 calls) cdiaghg : 71.52s CPU 72.33s WALL ( 8656 calls) cegterg:over : 10.24s CPU 10.14s WALL ( 8378 calls) cegterg:upda : 9.81s CPU 9.81s WALL ( 8378 calls) cegterg:last : 4.51s CPU 4.63s WALL ( 1382 calls) cdiaghg:chol : 4.24s CPU 4.22s WALL ( 8656 calls) cdiaghg:inve : 2.75s CPU 2.70s WALL ( 8656 calls) cdiaghg:para : 4.67s CPU 4.72s WALL ( 17312 calls) Called by h_psi: h_psi:vloc : 453.12s CPU 455.02s WALL ( 9204 calls) h_psi:vnl : 18.28s CPU 18.46s WALL ( 9204 calls) add_vuspsi : 9.54s CPU 9.52s WALL ( 9204 calls) General routines calbec : 8.71s CPU 8.91s WALL ( 9204 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 423.47s CPU 425.37s WALL ( 922908 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.27s CPU 0.35s WALL ( 556 calls) Parallel routines fft_scatter : 68.58s CPU 68.64s WALL ( 922931 calls) PWSCF : 10m 4.08s CPU 10m23.95s WALL This run was terminated on: 14:33:38 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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