Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:25:44 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: ./Ba4As2O.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 160 93 26 4201 1846 282 Max 161 94 27 4204 1871 283 Sum 5783 3355 949 151293 66903 10159 bravais-lattice index = 14 lattice parameter (alat) = 17.7539 a.u. unit-cell volume = 1536.1561 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 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)= 17.753871 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.851235 celldm(5)= -0.851235 celldm(6)= 0.702470 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.702470 0.711714 0.000000 ) a(3) = ( -0.851235 -0.355857 0.385701 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.987011 1.296341 ) b(2) = ( 0.000000 1.405059 1.296341 ) b(3) = ( 0.000000 0.000000 2.592682 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) O 6.00 15.99940 O( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0294623), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0589246), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0883869), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.1178492), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.1473115), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.1767738), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.2062361), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.2356984), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.2651607), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.2946229), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.3240853), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.3535476), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.3830098), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.4124721), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.4419344), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.4713967), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.5008590), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.5303213), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.5597836), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.5892459), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.6187082), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.6481705), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.6776328), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.7070951), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.7365574), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.7660197), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.7954820), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.8249443), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.8544066), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.8838689), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.9133312), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.9427935), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.9722558), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 1.0017181), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 1.0311803), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 1.0606426), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 1.0901050), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 1.1195672), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 1.1490295), wk = 0.0037175 k( 41) = ( 0.0000000 0.0000000 1.1784918), wk = 0.0037175 k( 42) = ( 0.0000000 0.0000000 1.2079541), wk = 0.0037175 k( 43) = ( 0.0000000 0.0000000 1.2374164), wk = 0.0037175 k( 44) = ( 0.0000000 0.0000000 1.2668787), wk = 0.0037175 k( 45) = ( 0.0000000 0.0000000 1.2963410), wk = 0.0037175 k( 46) = ( 0.0000000 0.0000000 1.2963410), wk = 0.0037175 k( 47) = ( -0.0109228 0.0261280 1.2963410), wk = 0.0037175 k( 48) = ( -0.0218455 0.0522560 1.2963410), wk = 0.0037175 k( 49) = ( -0.0327683 0.0783840 1.2963410), wk = 0.0037175 k( 50) = ( -0.0436910 0.1045120 1.2963410), wk = 0.0037175 k( 51) = ( -0.0436910 0.1045120 1.2963410), wk = 0.0037175 k( 52) = ( -0.0518394 0.1240035 1.2752149), wk = 0.0037175 k( 53) = ( -0.0599878 0.1434950 1.2540887), wk = 0.0037175 k( 54) = ( -0.0681361 0.1629864 1.2329626), wk = 0.0037175 k( 55) = ( -0.0762845 0.1824779 1.2118364), wk = 0.0037175 k( 56) = ( -0.0844329 0.2019694 1.1907103), wk = 0.0037175 k( 57) = ( -0.0925813 0.2214609 1.1695841), wk = 0.0037175 k( 58) = ( -0.1007296 0.2409524 1.1484580), wk = 0.0037175 k( 59) = ( -0.1088780 0.2604438 1.1273318), wk = 0.0037175 k( 60) = ( -0.1170264 0.2799353 1.1062057), wk = 0.0037175 k( 61) = ( -0.1251748 0.2994268 1.0850796), wk = 0.0037175 k( 62) = ( -0.1333231 0.3189183 1.0639534), wk = 0.0037175 k( 63) = ( -0.1414715 0.3384098 1.0428273), wk = 0.0037175 k( 64) = ( -0.1496199 0.3579013 1.0217011), wk = 0.0037175 k( 65) = ( -0.1577683 0.3773928 1.0005750), wk = 0.0037175 k( 66) = ( -0.1659166 0.3968843 0.9794488), wk = 0.0037175 k( 67) = ( -0.1740650 0.4163757 0.9583227), wk = 0.0037175 k( 68) = ( -0.1822134 0.4358672 0.9371966), wk = 0.0037175 k( 69) = ( -0.1903618 0.4553587 0.9160704), wk = 0.0037175 k( 70) = ( -0.1985101 0.4748502 0.8949443), wk = 0.0037175 k( 71) = ( -0.2066585 0.4943417 0.8738181), wk = 0.0037175 k( 72) = ( -0.2148069 0.5138332 0.8526920), wk = 0.0037175 k( 73) = ( -0.2229553 0.5333246 0.8315658), wk = 0.0037175 k( 74) = ( -0.2311036 0.5528161 0.8104397), wk = 0.0037175 k( 75) = ( -0.2392520 0.5723076 0.7893135), wk = 0.0037175 k( 76) = ( -0.2474004 0.5917991 0.7681874), wk = 0.0037175 k( 77) = ( -0.2555488 0.6112906 0.7470613), wk = 0.0037175 k( 78) = ( -0.2636971 0.6307821 0.7259351), wk = 0.0037175 k( 79) = ( -0.2718455 0.6502736 0.7048090), wk = 0.0037175 k( 80) = ( -0.2718455 0.6502736 0.7048090), wk = 0.0037175 k( 81) = ( -0.2638501 0.6311479 0.6840793), wk = 0.0037175 k( 82) = ( -0.2558546 0.6120222 0.6633496), wk = 0.0037175 k( 83) = ( -0.2478591 0.5928965 0.6426199), wk = 0.0037175 k( 84) = ( -0.2398637 0.5737708 0.6218902), wk = 0.0037175 k( 85) = ( -0.2318682 0.5546451 0.6011606), wk = 0.0037175 k( 86) = ( -0.2238728 0.5355194 0.5804309), wk = 0.0037175 k( 87) = ( -0.2158773 0.5163937 0.5597012), wk = 0.0037175 k( 88) = ( -0.2078819 0.4972680 0.5389716), wk = 0.0037175 k( 89) = ( -0.1998864 0.4781423 0.5182419), wk = 0.0037175 k( 90) = ( -0.1918910 0.4590166 0.4975122), wk = 0.0037175 k( 91) = ( -0.1838955 0.4398909 0.4767825), wk = 0.0037175 k( 92) = ( -0.1759000 0.4207652 0.4560528), wk = 0.0037175 k( 93) = ( -0.1679046 0.4016395 0.4353232), wk = 0.0037175 k( 94) = ( -0.1599091 0.3825138 0.4145935), wk = 0.0037175 k( 95) = ( -0.1519137 0.3633882 0.3938638), wk = 0.0037175 k( 96) = ( -0.1439182 0.3442625 0.3731342), wk = 0.0037175 k( 97) = ( -0.1359228 0.3251368 0.3524045), wk = 0.0037175 k( 98) = ( -0.1279273 0.3060111 0.3316748), wk = 0.0037175 k( 99) = ( -0.1199318 0.2868854 0.3109451), wk = 0.0037175 k( 100) = ( -0.1119364 0.2677597 0.2902155), wk = 0.0037175 k( 101) = ( -0.1039409 0.2486340 0.2694858), wk = 0.0037175 k( 102) = ( -0.0959455 0.2295083 0.2487561), wk = 0.0037175 k( 103) = ( -0.0879500 0.2103826 0.2280264), wk = 0.0037175 k( 104) = ( -0.0799546 0.1912569 0.2072967), wk = 0.0037175 k( 105) = ( -0.0719591 0.1721312 0.1865671), wk = 0.0037175 k( 106) = ( -0.0639636 0.1530055 0.1658374), wk = 0.0037175 k( 107) = ( -0.0559682 0.1338798 0.1451077), wk = 0.0037175 k( 108) = ( -0.0479727 0.1147542 0.1243781), wk = 0.0037175 k( 109) = ( -0.0399773 0.0956285 0.1036484), wk = 0.0037175 k( 110) = ( -0.0319818 0.0765028 0.0829187), wk = 0.0037175 k( 111) = ( -0.0239864 0.0573771 0.0621890), wk = 0.0037175 k( 112) = ( -0.0159909 0.0382514 0.0414593), wk = 0.0037175 k( 113) = ( -0.0079955 0.0191257 0.0207297), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 116) = ( 0.0263158 0.0110013 0.0000000), wk = 0.0037175 k( 117) = ( 0.0526316 0.0220025 0.0000000), wk = 0.0037175 k( 118) = ( 0.0789474 0.0330038 0.0000000), wk = 0.0037175 k( 119) = ( 0.1052632 0.0440050 0.0000000), wk = 0.0037175 k( 120) = ( 0.1315790 0.0550063 0.0000000), wk = 0.0037175 k( 121) = ( 0.1578947 0.0660076 0.0000000), wk = 0.0037175 k( 122) = ( 0.1842105 0.0770088 0.0000000), wk = 0.0037175 k( 123) = ( 0.2105263 0.0880101 0.0000000), wk = 0.0037175 k( 124) = ( 0.2368421 0.0990114 0.0000000), wk = 0.0037175 k( 125) = ( 0.2631579 0.1100126 0.0000000), wk = 0.0037175 k( 126) = ( 0.2894737 0.1210139 0.0000000), wk = 0.0037175 k( 127) = ( 0.3157895 0.1320151 0.0000000), wk = 0.0037175 k( 128) = ( 0.3421053 0.1430164 0.0000000), wk = 0.0037175 k( 129) = ( 0.3684211 0.1540177 0.0000000), wk = 0.0037175 k( 130) = ( 0.3947368 0.1650189 0.0000000), wk = 0.0037175 k( 131) = ( 0.4210526 0.1760202 0.0000000), wk = 0.0037175 k( 132) = ( 0.4473684 0.1870214 0.0000000), wk = 0.0037175 k( 133) = ( 0.4736842 0.1980227 0.0000000), wk = 0.0037175 k( 134) = ( 0.5000000 0.2090240 0.0000000), wk = 0.0037175 k( 135) = ( 0.5000000 0.2090240 0.0000000), wk = 0.0037175 k( 136) = ( 0.4918516 0.2285154 0.0211261), wk = 0.0037175 k( 137) = ( 0.4837032 0.2480069 0.0422523), wk = 0.0037175 k( 138) = ( 0.4755549 0.2674984 0.0633784), wk = 0.0037175 k( 139) = ( 0.4674065 0.2869899 0.0845046), wk = 0.0037175 k( 140) = ( 0.4592581 0.3064814 0.1056307), wk = 0.0037175 k( 141) = ( 0.4511097 0.3259729 0.1267569), wk = 0.0037175 k( 142) = ( 0.4429614 0.3454643 0.1478830), wk = 0.0037175 k( 143) = ( 0.4348130 0.3649558 0.1690092), wk = 0.0037175 k( 144) = ( 0.4266646 0.3844473 0.1901353), wk = 0.0037175 k( 145) = ( 0.4185162 0.4039388 0.2112615), wk = 0.0037175 k( 146) = ( 0.4103679 0.4234303 0.2323876), wk = 0.0037175 k( 147) = ( 0.4022195 0.4429218 0.2535137), wk = 0.0037175 k( 148) = ( 0.3940711 0.4624133 0.2746399), wk = 0.0037175 k( 149) = ( 0.3859227 0.4819048 0.2957660), wk = 0.0037175 k( 150) = ( 0.3777744 0.5013962 0.3168922), wk = 0.0037175 k( 151) = ( 0.3696260 0.5208877 0.3380183), wk = 0.0037175 k( 152) = ( 0.3614776 0.5403792 0.3591445), wk = 0.0037175 k( 153) = ( 0.3533293 0.5598707 0.3802706), wk = 0.0037175 k( 154) = ( 0.3451809 0.5793622 0.4013967), wk = 0.0037175 k( 155) = ( 0.3370325 0.5988536 0.4225229), wk = 0.0037175 k( 156) = ( 0.3288841 0.6183451 0.4436490), wk = 0.0037175 k( 157) = ( 0.3207358 0.6378366 0.4647752), wk = 0.0037175 k( 158) = ( 0.3125874 0.6573281 0.4859013), wk = 0.0037175 k( 159) = ( 0.3044390 0.6768196 0.5070275), wk = 0.0037175 k( 160) = ( 0.2962906 0.6963111 0.5281536), wk = 0.0037175 k( 161) = ( 0.2881423 0.7158026 0.5492798), wk = 0.0037175 k( 162) = ( 0.2799939 0.7352941 0.5704059), wk = 0.0037175 k( 163) = ( 0.2718455 0.7547855 0.5915320), wk = 0.0037175 k( 164) = ( 0.2718455 0.7547855 0.5915320), wk = 0.0037175 k( 165) = ( 0.2446610 0.7495599 0.5971959), wk = 0.0037175 k( 166) = ( 0.2174764 0.7443343 0.6028597), wk = 0.0037175 k( 167) = ( 0.1902919 0.7391087 0.6085236), wk = 0.0037175 k( 168) = ( 0.1631073 0.7338831 0.6141874), wk = 0.0037175 k( 169) = ( 0.1359228 0.7286575 0.6198513), wk = 0.0037175 k( 170) = ( 0.1087382 0.7234319 0.6255151), wk = 0.0037175 k( 171) = ( 0.0815537 0.7182063 0.6311790), wk = 0.0037175 k( 172) = ( 0.0543691 0.7129807 0.6368428), wk = 0.0037175 k( 173) = ( 0.0271845 0.7077551 0.6425067), wk = 0.0037175 k( 174) = ( 0.0000000 0.7025295 0.6481705), wk = 0.0037175 k( 175) = ( 0.0000000 0.7025295 0.6481705), wk = 0.0037175 k( 176) = ( 0.0080645 0.6832386 0.6690792), wk = 0.0037175 k( 177) = ( 0.0161290 0.6639478 0.6899880), wk = 0.0037175 k( 178) = ( 0.0241936 0.6446569 0.7108967), wk = 0.0037175 k( 179) = ( 0.0322581 0.6253660 0.7318054), wk = 0.0037175 k( 180) = ( 0.0403226 0.6060751 0.7527141), wk = 0.0037175 k( 181) = ( 0.0483871 0.5867842 0.7736229), wk = 0.0037175 k( 182) = ( 0.0564516 0.5674933 0.7945316), wk = 0.0037175 k( 183) = ( 0.0645161 0.5482024 0.8154403), wk = 0.0037175 k( 184) = ( 0.0725806 0.5289115 0.8363491), wk = 0.0037175 k( 185) = ( 0.0806452 0.5096207 0.8572578), wk = 0.0037175 k( 186) = ( 0.0887097 0.4903298 0.8781665), wk = 0.0037175 k( 187) = ( 0.0967742 0.4710389 0.8990752), wk = 0.0037175 k( 188) = ( 0.1048387 0.4517480 0.9199839), wk = 0.0037175 k( 189) = ( 0.1129032 0.4324571 0.9408927), wk = 0.0037175 k( 190) = ( 0.1209677 0.4131662 0.9618014), wk = 0.0037175 k( 191) = ( 0.1290323 0.3938753 0.9827101), wk = 0.0037175 k( 192) = ( 0.1370968 0.3745844 1.0036188), wk = 0.0037175 k( 193) = ( 0.1451613 0.3552935 1.0245276), wk = 0.0037175 k( 194) = ( 0.1532258 0.3360026 1.0454363), wk = 0.0037175 k( 195) = ( 0.1612903 0.3167118 1.0663450), wk = 0.0037175 k( 196) = ( 0.1693548 0.2974209 1.0872538), wk = 0.0037175 k( 197) = ( 0.1774194 0.2781300 1.1081625), wk = 0.0037175 k( 198) = ( 0.1854839 0.2588391 1.1290712), wk = 0.0037175 k( 199) = ( 0.1935484 0.2395482 1.1499799), wk = 0.0037175 k( 200) = ( 0.2016129 0.2202573 1.1708886), wk = 0.0037175 k( 201) = ( 0.2096774 0.2009664 1.1917974), wk = 0.0037175 k( 202) = ( 0.2177419 0.1816755 1.2127061), wk = 0.0037175 k( 203) = ( 0.2258064 0.1623847 1.2336148), wk = 0.0037175 k( 204) = ( 0.2338710 0.1430938 1.2545236), wk = 0.0037175 k( 205) = ( 0.2419355 0.1238029 1.2754323), wk = 0.0037175 k( 206) = ( 0.2500000 0.1045120 1.2963410), wk = 0.0037175 k( 207) = ( 0.2500000 0.1045120 1.2963410), wk = 0.0037175 k( 208) = ( 0.2750000 0.1149632 1.2850133), wk = 0.0037175 k( 209) = ( 0.3000000 0.1254144 1.2736856), wk = 0.0037175 k( 210) = ( 0.3250000 0.1358656 1.2623579), wk = 0.0037175 k( 211) = ( 0.3500000 0.1463168 1.2510302), wk = 0.0037175 k( 212) = ( 0.3750000 0.1567680 1.2397025), wk = 0.0037175 k( 213) = ( 0.4000000 0.1672192 1.2283749), wk = 0.0037175 k( 214) = ( 0.4250000 0.1776704 1.2170472), wk = 0.0037175 k( 215) = ( 0.4500000 0.1881216 1.2057195), wk = 0.0037175 k( 216) = ( 0.4750000 0.1985728 1.1943918), wk = 0.0037175 k( 217) = ( 0.5000000 0.2090240 1.1830641), wk = 0.0037175 k( 218) = ( 0.5000000 0.2090240 1.1830641), wk = 0.0037175 k( 219) = ( 0.5000000 0.2090240 1.1534875), wk = 0.0037175 k( 220) = ( 0.5000000 0.2090240 1.1239109), wk = 0.0037175 k( 221) = ( 0.5000000 0.2090240 1.0943343), wk = 0.0037175 k( 222) = ( 0.5000000 0.2090240 1.0647577), wk = 0.0037175 k( 223) = ( 0.5000000 0.2090240 1.0351811), wk = 0.0037175 k( 224) = ( 0.5000000 0.2090240 1.0056045), wk = 0.0037175 k( 225) = ( 0.5000000 0.2090240 0.9760279), wk = 0.0037175 k( 226) = ( 0.5000000 0.2090240 0.9464513), wk = 0.0037175 k( 227) = ( 0.5000000 0.2090240 0.9168747), wk = 0.0037175 k( 228) = ( 0.5000000 0.2090240 0.8872981), wk = 0.0037175 k( 229) = ( 0.5000000 0.2090240 0.8577215), wk = 0.0037175 k( 230) = ( 0.5000000 0.2090240 0.8281449), wk = 0.0037175 k( 231) = ( 0.5000000 0.2090240 0.7985683), wk = 0.0037175 k( 232) = ( 0.5000000 0.2090240 0.7689917), wk = 0.0037175 k( 233) = ( 0.5000000 0.2090240 0.7394150), wk = 0.0037175 k( 234) = ( 0.5000000 0.2090240 0.7098385), wk = 0.0037175 k( 235) = ( 0.5000000 0.2090240 0.6802619), wk = 0.0037175 k( 236) = ( 0.5000000 0.2090240 0.6506853), wk = 0.0037175 k( 237) = ( 0.5000000 0.2090240 0.6211087), wk = 0.0037175 k( 238) = ( 0.5000000 0.2090240 0.5915320), wk = 0.0037175 k( 239) = ( 0.5000000 0.2090240 0.5619555), wk = 0.0037175 k( 240) = ( 0.5000000 0.2090240 0.5323788), wk = 0.0037175 k( 241) = ( 0.5000000 0.2090240 0.5028022), wk = 0.0037175 k( 242) = ( 0.5000000 0.2090240 0.4732256), wk = 0.0037175 k( 243) = ( 0.5000000 0.2090240 0.4436490), wk = 0.0037175 k( 244) = ( 0.5000000 0.2090240 0.4140724), wk = 0.0037175 k( 245) = ( 0.5000000 0.2090240 0.3844958), wk = 0.0037175 k( 246) = ( 0.5000000 0.2090240 0.3549192), wk = 0.0037175 k( 247) = ( 0.5000000 0.2090240 0.3253426), wk = 0.0037175 k( 248) = ( 0.5000000 0.2090240 0.2957660), wk = 0.0037175 k( 249) = ( 0.5000000 0.2090240 0.2661894), wk = 0.0037175 k( 250) = ( 0.5000000 0.2090240 0.2366128), wk = 0.0037175 k( 251) = ( 0.5000000 0.2090240 0.2070362), wk = 0.0037175 k( 252) = ( 0.5000000 0.2090240 0.1774596), wk = 0.0037175 k( 253) = ( 0.5000000 0.2090240 0.1478830), wk = 0.0037175 k( 254) = ( 0.5000000 0.2090240 0.1183064), wk = 0.0037175 k( 255) = ( 0.5000000 0.2090240 0.0887298), wk = 0.0037175 k( 256) = ( 0.5000000 0.2090240 0.0591532), wk = 0.0037175 k( 257) = ( 0.5000000 0.2090240 0.0295766), wk = 0.0037175 k( 258) = ( 0.5000000 0.2090240 0.0000000), wk = 0.0037175 k( 259) = ( 0.0000000 0.0000000 1.2963410), wk = 0.0037175 k( 260) = ( 0.0250000 0.0104512 1.2963410), wk = 0.0037175 k( 261) = ( 0.0500000 0.0209024 1.2963410), wk = 0.0037175 k( 262) = ( 0.0750000 0.0313536 1.2963410), wk = 0.0037175 k( 263) = ( 0.1000000 0.0418048 1.2963410), wk = 0.0037175 k( 264) = ( 0.1250000 0.0522560 1.2963410), wk = 0.0037175 k( 265) = ( 0.1500000 0.0627072 1.2963410), wk = 0.0037175 k( 266) = ( 0.1750000 0.0731584 1.2963410), wk = 0.0037175 k( 267) = ( 0.2000000 0.0836096 1.2963410), wk = 0.0037175 k( 268) = ( 0.2250000 0.0940608 1.2963410), wk = 0.0037175 k( 269) = ( 0.2500000 0.1045120 1.2963410), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.0795454), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0037175 k( 41) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0037175 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0037175 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0037175 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0037175 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 47) = ( -0.0109228 0.0109228 0.5000000), wk = 0.0037175 k( 48) = ( -0.0218455 0.0218455 0.5000000), wk = 0.0037175 k( 49) = ( -0.0327683 0.0327683 0.5000000), wk = 0.0037175 k( 50) = ( -0.0436910 0.0436910 0.5000000), wk = 0.0037175 k( 51) = ( -0.0436910 0.0436910 0.5000000), wk = 0.0037175 k( 52) = ( -0.0518394 0.0518394 0.4918516), wk = 0.0037175 k( 53) = ( -0.0599878 0.0599878 0.4837032), wk = 0.0037175 k( 54) = ( -0.0681361 0.0681361 0.4755549), wk = 0.0037175 k( 55) = ( -0.0762845 0.0762845 0.4674065), wk = 0.0037175 k( 56) = ( -0.0844329 0.0844329 0.4592581), wk = 0.0037175 k( 57) = ( -0.0925813 0.0925813 0.4511097), wk = 0.0037175 k( 58) = ( -0.1007296 0.1007296 0.4429614), wk = 0.0037175 k( 59) = ( -0.1088780 0.1088780 0.4348130), wk = 0.0037175 k( 60) = ( -0.1170264 0.1170264 0.4266646), wk = 0.0037175 k( 61) = ( -0.1251748 0.1251748 0.4185162), wk = 0.0037175 k( 62) = ( -0.1333231 0.1333231 0.4103679), wk = 0.0037175 k( 63) = ( -0.1414715 0.1414715 0.4022195), wk = 0.0037175 k( 64) = ( -0.1496199 0.1496199 0.3940711), wk = 0.0037175 k( 65) = ( -0.1577683 0.1577683 0.3859227), wk = 0.0037175 k( 66) = ( -0.1659166 0.1659166 0.3777744), wk = 0.0037175 k( 67) = ( -0.1740650 0.1740650 0.3696260), wk = 0.0037175 k( 68) = ( -0.1822134 0.1822134 0.3614776), wk = 0.0037175 k( 69) = ( -0.1903618 0.1903618 0.3533293), wk = 0.0037175 k( 70) = ( -0.1985101 0.1985101 0.3451809), wk = 0.0037175 k( 71) = ( -0.2066585 0.2066585 0.3370325), wk = 0.0037175 k( 72) = ( -0.2148069 0.2148069 0.3288841), wk = 0.0037175 k( 73) = ( -0.2229553 0.2229553 0.3207358), wk = 0.0037175 k( 74) = ( -0.2311036 0.2311036 0.3125874), wk = 0.0037175 k( 75) = ( -0.2392520 0.2392520 0.3044390), wk = 0.0037175 k( 76) = ( -0.2474004 0.2474004 0.2962906), wk = 0.0037175 k( 77) = ( -0.2555488 0.2555488 0.2881423), wk = 0.0037175 k( 78) = ( -0.2636971 0.2636971 0.2799939), wk = 0.0037175 k( 79) = ( -0.2718455 0.2718455 0.2718455), wk = 0.0037175 k( 80) = ( -0.2718455 0.2718455 0.2718455), wk = 0.0037175 k( 81) = ( -0.2638501 0.2638501 0.2638501), wk = 0.0037175 k( 82) = ( -0.2558546 0.2558546 0.2558546), wk = 0.0037175 k( 83) = ( -0.2478591 0.2478591 0.2478591), wk = 0.0037175 k( 84) = ( -0.2398637 0.2398637 0.2398637), wk = 0.0037175 k( 85) = ( -0.2318682 0.2318682 0.2318682), wk = 0.0037175 k( 86) = ( -0.2238728 0.2238728 0.2238728), wk = 0.0037175 k( 87) = ( -0.2158773 0.2158773 0.2158773), wk = 0.0037175 k( 88) = ( -0.2078819 0.2078819 0.2078819), wk = 0.0037175 k( 89) = ( -0.1998864 0.1998864 0.1998864), wk = 0.0037175 k( 90) = ( -0.1918910 0.1918910 0.1918909), wk = 0.0037175 k( 91) = ( -0.1838955 0.1838955 0.1838955), wk = 0.0037175 k( 92) = ( -0.1759000 0.1759000 0.1759000), wk = 0.0037175 k( 93) = ( -0.1679046 0.1679046 0.1679046), wk = 0.0037175 k( 94) = ( -0.1599091 0.1599091 0.1599091), wk = 0.0037175 k( 95) = ( -0.1519137 0.1519137 0.1519137), wk = 0.0037175 k( 96) = ( -0.1439182 0.1439182 0.1439182), wk = 0.0037175 k( 97) = ( -0.1359228 0.1359228 0.1359228), wk = 0.0037175 k( 98) = ( -0.1279273 0.1279273 0.1279273), wk = 0.0037175 k( 99) = ( -0.1199318 0.1199318 0.1199318), wk = 0.0037175 k( 100) = ( -0.1119364 0.1119364 0.1119364), wk = 0.0037175 k( 101) = ( -0.1039409 0.1039409 0.1039409), wk = 0.0037175 k( 102) = ( -0.0959455 0.0959455 0.0959455), wk = 0.0037175 k( 103) = ( -0.0879500 0.0879500 0.0879500), wk = 0.0037175 k( 104) = ( -0.0799546 0.0799546 0.0799546), wk = 0.0037175 k( 105) = ( -0.0719591 0.0719591 0.0719591), wk = 0.0037175 k( 106) = ( -0.0639636 0.0639636 0.0639636), wk = 0.0037175 k( 107) = ( -0.0559682 0.0559682 0.0559682), wk = 0.0037175 k( 108) = ( -0.0479727 0.0479727 0.0479727), wk = 0.0037175 k( 109) = ( -0.0399773 0.0399773 0.0399773), wk = 0.0037175 k( 110) = ( -0.0319818 0.0319818 0.0319818), wk = 0.0037175 k( 111) = ( -0.0239864 0.0239864 0.0239864), wk = 0.0037175 k( 112) = ( -0.0159909 0.0159909 0.0159909), wk = 0.0037175 k( 113) = ( -0.0079955 0.0079955 0.0079955), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 116) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0037175 k( 117) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0037175 k( 118) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0037175 k( 119) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0037175 k( 120) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0037175 k( 121) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0037175 k( 122) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0037175 k( 123) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0037175 k( 124) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0037175 k( 125) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0037175 k( 126) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0037175 k( 127) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0037175 k( 128) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0037175 k( 129) = ( 0.3684211 0.3684211 -0.3684210), wk = 0.0037175 k( 130) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0037175 k( 131) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0037175 k( 132) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0037175 k( 133) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0037175 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 136) = ( 0.4918516 0.5081484 -0.4918516), wk = 0.0037175 k( 137) = ( 0.4837032 0.5162967 -0.4837032), wk = 0.0037175 k( 138) = ( 0.4755549 0.5244451 -0.4755549), wk = 0.0037175 k( 139) = ( 0.4674065 0.5325935 -0.4674065), wk = 0.0037175 k( 140) = ( 0.4592581 0.5407419 -0.4592581), wk = 0.0037175 k( 141) = ( 0.4511097 0.5488903 -0.4511098), wk = 0.0037175 k( 142) = ( 0.4429614 0.5570386 -0.4429614), wk = 0.0037175 k( 143) = ( 0.4348130 0.5651870 -0.4348130), wk = 0.0037175 k( 144) = ( 0.4266646 0.5733354 -0.4266646), wk = 0.0037175 k( 145) = ( 0.4185162 0.5814838 -0.4185162), wk = 0.0037175 k( 146) = ( 0.4103679 0.5896321 -0.4103679), wk = 0.0037175 k( 147) = ( 0.4022195 0.5977805 -0.4022195), wk = 0.0037175 k( 148) = ( 0.3940711 0.6059289 -0.3940711), wk = 0.0037175 k( 149) = ( 0.3859227 0.6140773 -0.3859227), wk = 0.0037175 k( 150) = ( 0.3777744 0.6222256 -0.3777744), wk = 0.0037175 k( 151) = ( 0.3696260 0.6303740 -0.3696260), wk = 0.0037175 k( 152) = ( 0.3614776 0.6385224 -0.3614776), wk = 0.0037175 k( 153) = ( 0.3533293 0.6466707 -0.3533293), wk = 0.0037175 k( 154) = ( 0.3451809 0.6548191 -0.3451809), wk = 0.0037175 k( 155) = ( 0.3370325 0.6629675 -0.3370325), wk = 0.0037175 k( 156) = ( 0.3288841 0.6711159 -0.3288841), wk = 0.0037175 k( 157) = ( 0.3207358 0.6792642 -0.3207358), wk = 0.0037175 k( 158) = ( 0.3125874 0.6874126 -0.3125874), wk = 0.0037175 k( 159) = ( 0.3044390 0.6955610 -0.3044390), wk = 0.0037175 k( 160) = ( 0.2962906 0.7037094 -0.2962906), wk = 0.0037175 k( 161) = ( 0.2881423 0.7118577 -0.2881423), wk = 0.0037175 k( 162) = ( 0.2799939 0.7200061 -0.2799939), wk = 0.0037175 k( 163) = ( 0.2718455 0.7281545 -0.2718455), wk = 0.0037175 k( 164) = ( 0.2718455 0.7281545 -0.2718455), wk = 0.0037175 k( 165) = ( 0.2446610 0.7053390 -0.2446610), wk = 0.0037175 k( 166) = ( 0.2174764 0.6825236 -0.2174764), wk = 0.0037175 k( 167) = ( 0.1902919 0.6597081 -0.1902919), wk = 0.0037175 k( 168) = ( 0.1631073 0.6368927 -0.1631073), wk = 0.0037175 k( 169) = ( 0.1359228 0.6140773 -0.1359228), wk = 0.0037175 k( 170) = ( 0.1087382 0.5912618 -0.1087382), wk = 0.0037175 k( 171) = ( 0.0815537 0.5684464 -0.0815537), wk = 0.0037175 k( 172) = ( 0.0543691 0.5456309 -0.0543691), wk = 0.0037175 k( 173) = ( 0.0271845 0.5228154 -0.0271846), wk = 0.0037175 k( 174) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 175) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 176) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0037175 k( 177) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0037175 k( 178) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0037175 k( 179) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0037175 k( 180) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0037175 k( 181) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0037175 k( 182) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0037175 k( 183) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0037175 k( 184) = ( 0.0725806 0.4274193 0.0725806), wk = 0.0037175 k( 185) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0037175 k( 186) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0037175 k( 187) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0037175 k( 188) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0037175 k( 189) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0037175 k( 190) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0037175 k( 191) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0037175 k( 192) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0037175 k( 193) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0037175 k( 194) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0037175 k( 195) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0037175 k( 196) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0037175 k( 197) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0037175 k( 198) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0037175 k( 199) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0037175 k( 200) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0037175 k( 201) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0037175 k( 202) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0037175 k( 203) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0037175 k( 204) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0037175 k( 205) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0037175 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 208) = ( 0.2750000 0.2750000 0.2206309), wk = 0.0037175 k( 209) = ( 0.3000000 0.3000000 0.1912618), wk = 0.0037175 k( 210) = ( 0.3250000 0.3250000 0.1618927), wk = 0.0037175 k( 211) = ( 0.3500000 0.3500000 0.1325236), wk = 0.0037175 k( 212) = ( 0.3750000 0.3750000 0.1031545), wk = 0.0037175 k( 213) = ( 0.4000000 0.4000000 0.0737854), wk = 0.0037175 k( 214) = ( 0.4250000 0.4250000 0.0444163), wk = 0.0037175 k( 215) = ( 0.4500000 0.4500000 0.0150472), wk = 0.0037175 k( 216) = ( 0.4750000 0.4750000 -0.0143219), wk = 0.0037175 k( 217) = ( 0.5000000 0.5000000 -0.0436910), wk = 0.0037175 k( 218) = ( 0.5000000 0.5000000 -0.0436910), wk = 0.0037175 k( 219) = ( 0.5000000 0.5000000 -0.0550987), wk = 0.0037175 k( 220) = ( 0.5000000 0.5000000 -0.0665065), wk = 0.0037175 k( 221) = ( 0.5000000 0.5000000 -0.0779142), wk = 0.0037175 k( 222) = ( 0.5000000 0.5000000 -0.0893219), wk = 0.0037175 k( 223) = ( 0.5000000 0.5000000 -0.1007296), wk = 0.0037175 k( 224) = ( 0.5000000 0.5000000 -0.1121374), wk = 0.0037175 k( 225) = ( 0.5000000 0.5000000 -0.1235451), wk = 0.0037175 k( 226) = ( 0.5000000 0.5000000 -0.1349528), wk = 0.0037175 k( 227) = ( 0.5000000 0.5000000 -0.1463605), wk = 0.0037175 k( 228) = ( 0.5000000 0.5000000 -0.1577683), wk = 0.0037175 k( 229) = ( 0.5000000 0.5000000 -0.1691760), wk = 0.0037175 k( 230) = ( 0.5000000 0.5000000 -0.1805837), wk = 0.0037175 k( 231) = ( 0.5000000 0.5000000 -0.1919914), wk = 0.0037175 k( 232) = ( 0.5000000 0.5000000 -0.2033992), wk = 0.0037175 k( 233) = ( 0.5000000 0.5000000 -0.2148069), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.2262146), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 -0.2376223), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 -0.2490301), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 -0.2604378), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 -0.2718455), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 -0.2832532), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 -0.2946610), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 -0.3060687), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 -0.3174764), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 -0.3288841), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 -0.3402919), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 -0.3516996), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 -0.3631073), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 -0.3745150), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 -0.3859228), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 -0.3973305), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 -0.4087382), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 -0.4201459), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 -0.4315537), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 -0.4429614), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 -0.4543691), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 -0.4657768), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 -0.4771846), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 -0.4885923), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 260) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0037175 k( 261) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037175 k( 262) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0037175 k( 263) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037175 k( 264) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0037175 k( 265) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037175 k( 266) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0037175 k( 267) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037175 k( 268) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0037175 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 Dense grid: 151293 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 66903 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 474, 68) NL pseudopotentials 0.66 Mb ( 237, 182) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 4202) G-vector shells 0.01 Mb ( 1881) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.97 Mb ( 474, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.38 Mb ( 182, 2, 68) The potential is recalculated from file : ./Ba4As2O.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 10.0 secs Computing kpt #: 4 total cpu time spent up to now is 12.6 secs Computing kpt #: 5 total cpu time spent up to now is 15.3 secs Computing kpt #: 6 total cpu time spent up to now is 17.7 secs Computing kpt #: 7 total cpu time spent up to now is 20.0 secs Computing kpt #: 8 total cpu time spent up to now is 22.4 secs Computing kpt #: 9 total cpu time spent up to now is 24.8 secs Computing kpt #: 10 total cpu time spent up to now is 27.3 secs Computing kpt #: 11 total cpu time spent up to now is 29.8 secs Computing kpt #: 12 total cpu time spent up to now is 32.3 secs Computing kpt #: 13 total cpu time spent up to now is 34.8 secs Computing kpt #: 14 total cpu time spent up to now is 37.3 secs Computing kpt #: 15 total cpu time spent up to now is 39.6 secs Computing kpt #: 16 total cpu time spent up to now is 42.0 secs Computing kpt #: 17 total cpu time spent up to now is 44.3 secs Computing kpt #: 18 total cpu time spent up to now is 46.6 secs Computing kpt #: 19 total cpu time spent up to now is 48.9 secs Computing kpt #: 20 total cpu time spent up to now is 51.2 secs Computing kpt #: 21 total cpu time spent up to now is 53.5 secs Computing kpt #: 22 total cpu time spent up to now is 55.9 secs Computing kpt #: 23 total cpu time spent up to now is 58.2 secs Computing kpt #: 24 total cpu time spent up to now is 60.5 secs Computing kpt #: 25 total cpu time spent up to now is 62.9 secs Computing kpt #: 26 total cpu time spent up to now is 65.2 secs Computing kpt #: 27 total cpu time spent up to now is 68.0 secs Computing kpt #: 28 total cpu time spent up to now is 70.7 secs Computing kpt #: 29 total cpu time spent up to now is 72.9 secs Computing kpt #: 30 total cpu time spent up to now is 75.1 secs Computing kpt #: 31 total cpu time spent up to now is 77.0 secs Computing kpt #: 32 total cpu time spent up to now is 78.9 secs Computing kpt #: 33 total cpu time spent up to now is 81.0 secs Computing kpt #: 34 total cpu time spent up to now is 83.2 secs Computing kpt #: 35 total cpu time spent up to now is 85.3 secs Computing kpt #: 36 total cpu time spent up to now is 87.5 secs Computing kpt #: 37 total cpu time spent up to now is 89.6 secs Computing kpt #: 38 total cpu time spent up to now is 91.8 secs Computing kpt #: 39 total cpu time spent up to now is 94.2 secs Computing kpt #: 40 total cpu time spent up to now is 96.5 secs Computing kpt #: 41 total cpu time spent up to now is 98.7 secs Computing kpt #: 42 total cpu time spent up to now is 101.5 secs Computing kpt #: 43 total cpu time spent up to now is 104.3 secs Computing kpt #: 44 total cpu time spent up to now is 107.1 secs Computing kpt #: 45 total cpu time spent up to now is 110.5 secs Computing kpt #: 46 total cpu time spent up to now is 113.4 secs Computing kpt #: 47 total cpu time spent up to now is 116.7 secs Computing kpt #: 48 total cpu time spent up to now is 120.1 secs Computing kpt #: 49 total cpu time spent up to now is 123.5 secs Computing kpt #: 50 total cpu time spent up to now is 127.4 secs Computing kpt #: 51 total cpu time spent up to now is 131.3 secs Computing kpt #: 52 total cpu time spent up to now is 135.8 secs Computing kpt #: 53 total cpu time spent up to now is 139.2 secs Computing kpt #: 54 total cpu time spent up to now is 142.5 secs Computing kpt #: 55 total cpu time spent up to now is 145.8 secs Computing kpt #: 56 total cpu time spent up to now is 148.1 secs Computing kpt #: 57 total cpu time spent up to now is 150.4 secs Computing kpt #: 58 total cpu time spent up to now is 152.7 secs Computing kpt #: 59 total cpu time spent up to now is 154.8 secs Computing kpt #: 60 total cpu time spent up to now is 157.0 secs Computing kpt #: 61 total cpu time spent up to now is 159.2 secs Computing kpt #: 62 total cpu time spent up to now is 161.3 secs Computing kpt #: 63 total cpu time spent up to now is 163.5 secs Computing kpt #: 64 total cpu time spent up to now is 165.7 secs Computing kpt #: 65 total cpu time spent up to now is 167.9 secs Computing kpt #: 66 total cpu time spent up to now is 170.2 secs Computing kpt #: 67 total cpu time spent up to now is 172.4 secs Computing kpt #: 68 total cpu time spent up to now is 174.7 secs Computing kpt #: 69 total cpu time spent up to now is 177.1 secs Computing kpt #: 70 total cpu time spent up to now is 179.4 secs Computing kpt #: 71 total cpu time spent up to now is 182.1 secs Computing kpt #: 72 total cpu time spent up to now is 184.5 secs Computing kpt #: 73 total cpu time spent up to now is 187.3 secs Computing kpt #: 74 total cpu time spent up to now is 190.0 secs Computing kpt #: 75 total cpu time spent up to now is 193.0 secs Computing kpt #: 76 total cpu time spent up to now is 195.8 secs Computing kpt #: 77 total cpu time spent up to now is 198.1 secs Computing kpt #: 78 total cpu time spent up to now is 200.4 secs Computing kpt #: 79 total cpu time spent up to now is 202.7 secs Computing kpt #: 80 total cpu time spent up to now is 205.0 secs Computing kpt #: 81 total cpu time spent up to now is 207.3 secs Computing kpt #: 82 total cpu time spent up to now is 209.8 secs Computing kpt #: 83 total cpu time spent up to now is 212.1 secs Computing kpt #: 84 total cpu time spent up to now is 214.5 secs Computing kpt #: 85 total cpu time spent up to now is 216.8 secs Computing kpt #: 86 total cpu time spent up to now is 219.1 secs Computing kpt #: 87 total cpu time spent up to now is 221.4 secs Computing kpt #: 88 total cpu time spent up to now is 223.9 secs Computing kpt #: 89 total cpu time spent up to now is 226.7 secs Computing kpt #: 90 total cpu time spent up to now is 229.2 secs Computing kpt #: 91 total cpu time spent up to now is 231.7 secs Computing kpt #: 92 total cpu time spent up to now is 234.2 secs Computing kpt #: 93 total cpu time spent up to now is 236.6 secs Computing kpt #: 94 total cpu time spent up to now is 238.9 secs Computing kpt #: 95 total cpu time spent up to now is 241.3 secs Computing kpt #: 96 total cpu time spent up to now is 243.4 secs Computing kpt #: 97 total cpu time spent up to now is 245.6 secs Computing kpt #: 98 total cpu time spent up to now is 247.8 secs Computing kpt #: 99 total cpu time spent up to now is 249.7 secs Computing kpt #: 100 total cpu time spent up to now is 251.9 secs Computing kpt #: 101 total cpu time spent up to now is 254.0 secs Computing kpt #: 102 total cpu time spent up to now is 256.2 secs Computing kpt #: 103 total cpu time spent up to now is 258.6 secs Computing kpt #: 104 total cpu time spent up to now is 260.8 secs Computing kpt #: 105 total cpu time spent up to now is 263.1 secs Computing kpt #: 106 total cpu time spent up to now is 265.4 secs Computing kpt #: 107 total cpu time spent up to now is 267.7 secs Computing kpt #: 108 total cpu time spent up to now is 270.1 secs Computing kpt #: 109 total cpu time spent up to now is 272.4 secs Computing kpt #: 110 total cpu time spent up to now is 274.9 secs Computing kpt #: 111 total cpu time spent up to now is 277.1 secs Computing kpt #: 112 total cpu time spent up to now is 279.3 secs Computing kpt #: 113 total cpu time spent up to now is 281.5 secs Computing kpt #: 114 total cpu time spent up to now is 283.7 secs Computing kpt #: 115 total cpu time spent up to now is 285.8 secs Computing kpt #: 116 total cpu time spent up to now is 288.0 secs Computing kpt #: 117 total cpu time spent up to now is 290.1 secs Computing kpt #: 118 total cpu time spent up to now is 292.2 secs Computing kpt #: 119 total cpu time spent up to now is 294.4 secs Computing kpt #: 120 total cpu time spent up to now is 296.6 secs Computing kpt #: 121 total cpu time spent up to now is 298.7 secs Computing kpt #: 122 total cpu time spent up to now is 300.9 secs Computing kpt #: 123 total cpu time spent up to now is 303.1 secs Computing kpt #: 124 total cpu time spent up to now is 305.2 secs Computing kpt #: 125 total cpu time spent up to now is 307.4 secs Computing kpt #: 126 total cpu time spent up to now is 309.6 secs Computing kpt #: 127 total cpu time spent up to now is 312.3 secs Computing kpt #: 128 total cpu time spent up to now is 314.8 secs Computing kpt #: 129 total cpu time spent up to now is 317.1 secs Computing kpt #: 130 total cpu time spent up to now is 319.3 secs Computing kpt #: 131 total cpu time spent up to now is 321.5 secs Computing kpt #: 132 total cpu time spent up to now is 323.8 secs Computing kpt #: 133 total cpu time spent up to now is 326.1 secs Computing kpt #: 134 total cpu time spent up to now is 328.4 secs Computing kpt #: 135 total cpu time spent up to now is 330.7 secs Computing kpt #: 136 total cpu time spent up to now is 333.0 secs Computing kpt #: 137 total cpu time spent up to now is 335.8 secs Computing kpt #: 138 total cpu time spent up to now is 339.6 secs Computing kpt #: 139 total cpu time spent up to now is 342.9 secs Computing kpt #: 140 total cpu time spent up to now is 345.6 secs Computing kpt #: 141 total cpu time spent up to now is 348.1 secs Computing kpt #: 142 total cpu time spent up to now is 350.3 secs Computing kpt #: 143 total cpu time spent up to now is 352.5 secs Computing kpt #: 144 total cpu time spent up to now is 354.7 secs Computing kpt #: 145 total cpu time spent up to now is 356.9 secs Computing kpt #: 146 total cpu time spent up to now is 359.1 secs Computing kpt #: 147 total cpu time spent up to now is 361.3 secs Computing kpt #: 148 total cpu time spent up to now is 363.4 secs Computing kpt #: 149 total cpu time spent up to now is 365.3 secs Computing kpt #: 150 total cpu time spent up to now is 367.1 secs Computing kpt #: 151 total cpu time spent up to now is 369.3 secs Computing kpt #: 152 total cpu time spent up to now is 371.5 secs Computing kpt #: 153 total cpu time spent up to now is 373.7 secs Computing kpt #: 154 total cpu time spent up to now is 375.9 secs Computing kpt #: 155 total cpu time spent up to now is 378.2 secs Computing kpt #: 156 total cpu time spent up to now is 380.4 secs Computing kpt #: 157 total cpu time spent up to now is 382.6 secs Computing kpt #: 158 total cpu time spent up to now is 384.9 secs Computing kpt #: 159 total cpu time spent up to now is 387.1 secs Computing kpt #: 160 total cpu time spent up to now is 389.4 secs Computing kpt #: 161 total cpu time spent up to now is 391.7 secs Computing kpt #: 162 total cpu time spent up to now is 394.1 secs Computing kpt #: 163 total cpu time spent up to now is 396.4 secs Computing kpt #: 164 total cpu time spent up to now is 398.7 secs Computing kpt #: 165 total cpu time spent up to now is 401.0 secs Computing kpt #: 166 total cpu time spent up to now is 403.4 secs Computing kpt #: 167 total cpu time spent up to now is 405.7 secs Computing kpt #: 168 total cpu time spent up to now is 408.1 secs Computing kpt #: 169 total cpu time spent up to now is 410.4 secs Computing kpt #: 170 total cpu time spent up to now is 412.7 secs Computing kpt #: 171 total cpu time spent up to now is 415.0 secs Computing kpt #: 172 total cpu time spent up to now is 417.3 secs Computing kpt #: 173 total cpu time spent up to now is 419.6 secs Computing kpt #: 174 total cpu time spent up to now is 421.8 secs Computing kpt #: 175 total cpu time spent up to now is 424.1 secs Computing kpt #: 176 total cpu time spent up to now is 426.4 secs Computing kpt #: 177 total cpu time spent up to now is 428.8 secs Computing kpt #: 178 total cpu time spent up to now is 431.1 secs Computing kpt #: 179 total cpu time spent up to now is 433.5 secs Computing kpt #: 180 total cpu time spent up to now is 436.0 secs Computing kpt #: 181 total cpu time spent up to now is 438.8 secs Computing kpt #: 182 total cpu time spent up to now is 441.7 secs Computing kpt #: 183 total cpu time spent up to now is 444.2 secs Computing kpt #: 184 total cpu time spent up to now is 446.5 secs Computing kpt #: 185 total cpu time spent up to now is 448.7 secs Computing kpt #: 186 total cpu time spent up to now is 451.0 secs Computing kpt #: 187 total cpu time spent up to now is 453.3 secs Computing kpt #: 188 total cpu time spent up to now is 455.6 secs Computing kpt #: 189 total cpu time spent up to now is 457.8 secs Computing kpt #: 190 total cpu time spent up to now is 460.0 secs Computing kpt #: 191 total cpu time spent up to now is 462.3 secs Computing kpt #: 192 total cpu time spent up to now is 464.6 secs Computing kpt #: 193 total cpu time spent up to now is 466.8 secs Computing kpt #: 194 total cpu time spent up to now is 469.1 secs Computing kpt #: 195 total cpu time spent up to now is 471.3 secs Computing kpt #: 196 total cpu time spent up to now is 473.6 secs Computing kpt #: 197 total cpu time spent up to now is 475.8 secs Computing kpt #: 198 total cpu time spent up to now is 478.0 secs Computing kpt #: 199 total cpu time spent up to now is 480.3 secs Computing kpt #: 200 total cpu time spent up to now is 482.5 secs Computing kpt #: 201 total cpu time spent up to now is 484.7 secs Computing kpt #: 202 total cpu time spent up to now is 486.8 secs Computing kpt #: 203 total cpu time spent up to now is 489.1 secs Computing kpt #: 204 total cpu time spent up to now is 491.3 secs Computing kpt #: 205 total cpu time spent up to now is 493.5 secs Computing kpt #: 206 total cpu time spent up to now is 495.6 secs Computing kpt #: 207 total cpu time spent up to now is 497.8 secs Computing kpt #: 208 total cpu time spent up to now is 499.9 secs Computing kpt #: 209 total cpu time spent up to now is 502.1 secs Computing kpt #: 210 total cpu time spent up to now is 504.3 secs Computing kpt #: 211 total cpu time spent up to now is 506.4 secs Computing kpt #: 212 total cpu time spent up to now is 508.6 secs Computing kpt #: 213 total cpu time spent up to now is 510.7 secs Computing kpt #: 214 total cpu time spent up to now is 513.0 secs Computing kpt #: 215 total cpu time spent up to now is 515.4 secs Computing kpt #: 216 total cpu time spent up to now is 518.2 secs Computing kpt #: 217 total cpu time spent up to now is 522.1 secs Computing kpt #: 218 total cpu time spent up to now is 526.1 secs Computing kpt #: 219 total cpu time spent up to now is 530.0 secs Computing kpt #: 220 total cpu time spent up to now is 533.0 secs Computing kpt #: 221 total cpu time spent up to now is 536.3 secs Computing kpt #: 222 total cpu time spent up to now is 538.5 secs Computing kpt #: 223 total cpu time spent up to now is 540.8 secs Computing kpt #: 224 total cpu time spent up to now is 542.9 secs Computing kpt #: 225 total cpu time spent up to now is 545.1 secs Computing kpt #: 226 total cpu time spent up to now is 547.3 secs Computing kpt #: 227 total cpu time spent up to now is 549.5 secs Computing kpt #: 228 total cpu time spent up to now is 551.3 secs Computing kpt #: 229 total cpu time spent up to now is 553.2 secs Computing kpt #: 230 total cpu time spent up to now is 555.1 secs Computing kpt #: 231 total cpu time spent up to now is 557.3 secs Computing kpt #: 232 total cpu time spent up to now is 560.0 secs Computing kpt #: 233 total cpu time spent up to now is 562.7 secs Computing kpt #: 234 total cpu time spent up to now is 565.5 secs Computing kpt #: 235 total cpu time spent up to now is 568.2 secs Computing kpt #: 236 total cpu time spent up to now is 570.5 secs Computing kpt #: 237 total cpu time spent up to now is 572.4 secs Computing kpt #: 238 total cpu time spent up to now is 574.5 secs Computing kpt #: 239 total cpu time spent up to now is 576.4 secs Computing kpt #: 240 total cpu time spent up to now is 578.5 secs Computing kpt #: 241 total cpu time spent up to now is 580.7 secs Computing kpt #: 242 total cpu time spent up to now is 582.9 secs Computing kpt #: 243 total cpu time spent up to now is 585.1 secs Computing kpt #: 244 total cpu time spent up to now is 587.3 secs Computing kpt #: 245 total cpu time spent up to now is 589.6 secs Computing kpt #: 246 total cpu time spent up to now is 591.8 secs Computing kpt #: 247 total cpu time spent up to now is 594.6 secs Computing kpt #: 248 total cpu time spent up to now is 597.0 secs Computing kpt #: 249 total cpu time spent up to now is 599.3 secs Computing kpt #: 250 total cpu time spent up to now is 601.6 secs Computing kpt #: 251 total cpu time spent up to now is 603.9 secs Computing kpt #: 252 total cpu time spent up to now is 606.2 secs Computing kpt #: 253 total cpu time spent up to now is 608.5 secs Computing kpt #: 254 total cpu time spent up to now is 611.0 secs Computing kpt #: 255 total cpu time spent up to now is 613.8 secs Computing kpt #: 256 total cpu time spent up to now is 616.2 secs Computing kpt #: 257 total cpu time spent up to now is 618.9 secs Computing kpt #: 258 total cpu time spent up to now is 621.2 secs Computing kpt #: 259 total cpu time spent up to now is 624.1 secs Computing kpt #: 260 total cpu time spent up to now is 626.8 secs Computing kpt #: 261 total cpu time spent up to now is 629.2 secs Computing kpt #: 262 total cpu time spent up to now is 631.3 secs Computing kpt #: 263 total cpu time spent up to now is 633.5 secs Computing kpt #: 264 total cpu time spent up to now is 635.6 secs Computing kpt #: 265 total cpu time spent up to now is 637.7 secs Computing kpt #: 266 total cpu time spent up to now is 639.9 secs Computing kpt #: 267 total cpu time spent up to now is 642.0 secs Computing kpt #: 268 total cpu time spent up to now is 644.2 secs Computing kpt #: 269 total cpu time spent up to now is 646.3 secs ethr = 1.79E-08, avg # of iterations = 32.3 total cpu time spent up to now is 646.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8419 PWs) bands (ev): -20.2109 -20.2109 -20.1750 -20.1750 -19.6438 -19.6438 -19.2926 -19.2926 -9.2946 -9.2946 -6.8510 -6.8510 -6.8359 -6.8359 -6.6410 -6.6410 -6.0442 -6.0442 -5.0999 -5.0999 -4.8601 -4.8601 -4.8559 -4.8559 -4.8036 -4.8036 -4.7117 -4.7117 -4.2691 -4.2691 -4.0663 -4.0663 -3.6484 -3.6484 -1.2852 -1.2852 -0.8404 -0.8404 5.0268 5.0268 5.7778 5.7778 6.2571 6.2571 6.3025 6.3025 6.7971 6.7971 6.9561 6.9561 7.3009 7.3009 7.5429 7.5429 7.5675 7.5675 8.7034 8.7034 8.8416 8.8416 9.0852 9.0852 9.2377 9.2377 9.3742 9.3742 9.4223 9.4223 k = 0.0000 0.0000 0.0295 ( 8399 PWs) bands (ev): -20.2109 -20.2109 -20.1750 -20.1750 -19.6435 -19.6435 -19.2928 -19.2928 -9.2960 -9.2960 -6.8512 -6.8512 -6.8358 -6.8358 -6.6398 -6.6398 -6.0441 -6.0441 -5.0986 -5.0986 -4.8602 -4.8602 -4.8564 -4.8564 -4.8031 -4.8031 -4.7118 -4.7118 -4.2689 -4.2689 -4.0665 -4.0665 -3.6490 -3.6490 -1.2841 -1.2841 -0.8405 -0.8405 5.0261 5.0261 5.7795 5.7795 6.2542 6.2542 6.2996 6.2996 6.7954 6.7954 6.9538 6.9538 7.2999 7.2999 7.5403 7.5403 7.5610 7.5610 8.7032 8.7032 8.8461 8.8461 9.0945 9.0945 9.2432 9.2432 9.3746 9.3746 9.4228 9.4228 k = 0.0000 0.0000 0.0589 ( 8395 PWs) bands (ev): -20.2108 -20.2108 -20.1750 -20.1750 -19.6428 -19.6428 -19.2935 -19.2935 -9.3001 -9.3001 -6.8518 -6.8518 -6.8354 -6.8354 -6.6364 -6.6364 -6.0439 -6.0439 -5.0948 -5.0948 -4.8603 -4.8603 -4.8576 -4.8576 -4.8019 -4.8019 -4.7123 -4.7123 -4.2685 -4.2685 -4.0670 -4.0670 -3.6507 -3.6507 -1.2809 -1.2809 -0.8406 -0.8406 5.0237 5.0237 5.7846 5.7846 6.2454 6.2454 6.2910 6.2910 6.7903 6.7903 6.9476 6.9476 7.2957 7.2957 7.5288 7.5288 7.5469 7.5469 8.7028 8.7028 8.8593 8.8593 9.1218 9.1218 9.2595 9.2595 9.3732 9.3732 9.4272 9.4272 k = 0.0000 0.0000 0.0884 ( 8387 PWs) bands (ev): -20.2106 -20.2106 -20.1751 -20.1751 -19.6417 -19.6417 -19.2945 -19.2945 -9.3069 -9.3069 -6.8528 -6.8528 -6.8348 -6.8348 -6.6307 -6.6307 -6.0434 -6.0434 -5.0886 -5.0886 -4.8606 -4.8606 -4.8596 -4.8596 -4.8000 -4.8000 -4.7130 -4.7130 -4.2677 -4.2677 -4.0677 -4.0677 -3.6535 -3.6535 -1.2756 -1.2756 -0.8408 -0.8408 5.0198 5.0198 5.7931 5.7931 6.2308 6.2308 6.2767 6.2767 6.7811 6.7811 6.9391 6.9391 7.2854 7.2854 7.5010 7.5010 7.5369 7.5369 8.7023 8.7023 8.8799 8.8799 9.1656 9.1656 9.2862 9.2862 9.3664 9.3664 9.4404 9.4404 k = 0.0000 0.0000 0.1178 ( 8385 PWs) bands (ev): -20.2104 -20.2104 -20.1752 -20.1752 -19.6401 -19.6401 -19.2960 -19.2960 -9.3163 -9.3163 -6.8540 -6.8540 -6.8341 -6.8341 -6.6230 -6.6230 -6.0428 -6.0428 -5.0800 -5.0800 -4.8621 -4.8621 -4.8609 -4.8609 -4.7975 -4.7975 -4.7139 -4.7139 -4.2666 -4.2666 -4.0689 -4.0689 -3.6571 -3.6571 -1.2683 -1.2683 -0.8411 -0.8411 5.0143 5.0143 5.8049 5.8049 6.2104 6.2104 6.2571 6.2571 6.7672 6.7672 6.9305 6.9305 7.2648 7.2648 7.4644 7.4644 7.5298 7.5298 8.7022 8.7022 8.9069 8.9069 9.2234 9.2234 9.3226 9.3226 9.3552 9.3552 9.4632 9.4632 k = 0.0000 0.0000 0.1473 ( 8401 PWs) bands (ev): -20.2101 -20.2101 -20.1753 -20.1753 -19.6381 -19.6381 -19.2979 -19.2979 -9.3282 -9.3282 -6.8553 -6.8553 -6.8335 -6.8335 -6.6132 -6.6132 -6.0420 -6.0420 -5.0692 -5.0692 -4.8650 -4.8650 -4.8614 -4.8614 -4.7946 -4.7946 -4.7151 -4.7151 -4.2652 -4.2652 -4.0703 -4.0703 -3.6616 -3.6616 -1.2590 -1.2590 -0.8416 -0.8416 5.0074 5.0074 5.8199 5.8199 6.1841 6.1841 6.2326 6.2326 6.7484 6.7484 6.9233 6.9233 7.2310 7.2310 7.4253 7.4253 7.5242 7.5242 8.7028 8.7028 8.9395 8.9395 9.2919 9.2919 9.3419 9.3419 9.3690 9.3690 9.4939 9.4939 k = 0.0000 0.0000 0.1768 ( 8403 PWs) bands (ev): -20.2097 -20.2097 -20.1754 -20.1754 -19.6356 -19.6356 -19.3002 -19.3002 -9.3426 -9.3426 -6.8567 -6.8567 -6.8328 -6.8328 -6.6016 -6.6016 -6.0409 -6.0409 -5.0564 -5.0564 -4.8679 -4.8679 -4.8619 -4.8619 -4.7914 -4.7914 -4.7164 -4.7164 -4.2635 -4.2635 -4.0720 -4.0720 -3.6665 -3.6665 -1.2480 -1.2480 -0.8423 -0.8423 4.9990 4.9990 5.8379 5.8379 6.1520 6.1520 6.2034 6.2034 6.7252 6.7252 6.9183 6.9183 7.1838 7.1838 7.3866 7.3866 7.5199 7.5199 8.7047 8.7047 8.9773 8.9773 9.3311 9.3311 9.3676 9.3676 9.4228 9.4228 9.5314 9.5314 k = 0.0000 0.0000 0.2062 ( 8403 PWs) bands (ev): -20.2093 -20.2093 -20.1756 -20.1756 -19.6328 -19.6328 -19.3028 -19.3028 -9.3593 -9.3593 -6.8581 -6.8581 -6.8322 -6.8322 -6.5884 -6.5884 -6.0396 -6.0396 -5.0419 -5.0419 -4.8708 -4.8708 -4.8624 -4.8624 -4.7880 -4.7880 -4.7178 -4.7178 -4.2616 -4.2616 -4.0740 -4.0740 -3.6718 -3.6718 -1.2354 -1.2354 -0.8432 -0.8432 4.9891 4.9891 5.8586 5.8586 6.1143 6.1143 6.1700 6.1700 6.6986 6.6986 6.9156 6.9156 7.1263 7.1263 7.3481 7.3481 7.5156 7.5156 8.7081 8.7081 9.0200 9.0200 9.3245 9.3245 9.4464 9.4464 9.4846 9.4846 9.5748 9.5748 k = 0.0000 0.0000 0.2357 ( 8391 PWs) bands (ev): -20.2088 -20.2088 -20.1758 -20.1758 -19.6295 -19.6295 -19.3059 -19.3059 -9.3781 -9.3781 -6.8594 -6.8594 -6.8318 -6.8318 -6.5737 -6.5737 -6.0381 -6.0381 -5.0261 -5.0261 -4.8734 -4.8734 -4.8630 -4.8630 -4.7844 -4.7844 -4.7191 -4.7191 -4.2593 -4.2593 -4.0762 -4.0762 -3.6772 -3.6772 -1.2213 -1.2213 -0.8443 -0.8443 4.9780 4.9780 5.8818 5.8818 6.0713 6.0713 6.1329 6.1329 6.6698 6.6698 6.9146 6.9146 7.0626 7.0626 7.3093 7.3093 7.5099 7.5099 8.7135 8.7135 9.0673 9.0673 9.3237 9.3237 9.5248 9.5248 9.5534 9.5534 9.6236 9.6236 k = 0.0000 0.0000 0.2652 ( 8391 PWs) bands (ev): -20.2083 -20.2083 -20.1760 -20.1760 -19.6258 -19.6258 -19.3093 -19.3093 -9.3988 -9.3988 -6.8608 -6.8608 -6.8314 -6.8314 -6.5578 -6.5578 -6.0362 -6.0362 -5.0098 -5.0098 -4.8753 -4.8753 -4.8636 -4.8636 -4.7807 -4.7807 -4.7203 -4.7203 -4.2568 -4.2568 -4.0786 -4.0786 -3.6824 -3.6824 -1.2059 -1.2059 -0.8459 -0.8459 4.9655 4.9655 5.9067 5.9067 6.0233 6.0233 6.0927 6.0927 6.6399 6.6399 6.9142 6.9142 6.9966 6.9966 7.2696 7.2696 7.5017 7.5017 8.7211 8.7211 9.1188 9.1188 9.3301 9.3301 9.5998 9.5998 9.6268 9.6268 9.6774 9.6774 k = 0.0000 0.0000 0.2946 ( 8381 PWs) bands (ev): -20.2077 -20.2077 -20.1762 -20.1762 -19.6217 -19.6217 -19.3130 -19.3130 -9.4214 -9.4214 -6.8621 -6.8621 -6.8312 -6.8312 -6.5411 -6.5411 -6.0340 -6.0340 -4.9938 -4.9938 -4.8760 -4.8760 -4.8641 -4.8641 -4.7767 -4.7767 -4.7213 -4.7213 -4.2541 -4.2541 -4.0810 -4.0810 -3.6872 -3.6872 -1.1894 -1.1894 -0.8478 -0.8478 4.9518 4.9518 5.9310 5.9310 5.9712 5.9712 6.0516 6.0516 6.6100 6.6100 6.9049 6.9049 6.9396 6.9396 7.2291 7.2291 7.4901 7.4901 8.7312 8.7312 9.1738 9.1738 9.3444 9.3444 9.6685 9.6685 9.7010 9.7010 9.7363 9.7363 k = 0.0000 0.0000 0.3241 ( 8385 PWs) bands (ev): -20.2070 -20.2070 -20.1764 -20.1764 -19.6173 -19.6173 -19.3170 -19.3170 -9.4457 -9.4457 -6.8632 -6.8632 -6.8311 -6.8311 -6.5237 -6.5237 -6.0314 -6.0314 -4.9792 -4.9792 -4.8749 -4.8749 -4.8645 -4.8645 -4.7725 -4.7725 -4.7217 -4.7217 -4.2511 -4.2511 -4.0832 -4.0832 -3.6914 -3.6914 -1.1719 -1.1719 -0.8502 -0.8502 4.9370 4.9370 5.9132 5.9132 5.9464 5.9464 6.0197 6.0197 6.5807 6.5807 6.8520 6.8520 6.9280 6.9280 7.1879 7.1879 7.4749 7.4749 8.7438 8.7438 9.2318 9.2318 9.3668 9.3668 9.7231 9.7231 9.7749 9.7749 9.8018 9.8018 k = 0.0000 0.0000 0.3535 ( 8373 PWs) bands (ev): -20.2063 -20.2063 -20.1767 -20.1767 -19.6125 -19.6125 -19.3214 -19.3214 -9.4714 -9.4714 -6.8644 -6.8644 -6.8311 -6.8311 -6.5059 -6.5059 -6.0282 -6.0282 -4.9676 -4.9676 -4.8716 -4.8716 -4.8644 -4.8644 -4.7679 -4.7679 -4.7212 -4.7212 -4.2479 -4.2479 -4.0852 -4.0852 -3.6948 -3.6948 -1.1538 -1.1538 -0.8531 -0.8531 4.9211 4.9211 5.8534 5.8534 5.9221 5.9221 6.0246 6.0246 6.5528 6.5528 6.7879 6.7879 6.9302 6.9302 7.1462 7.1462 7.4559 7.4559 8.7591 8.7591 9.2916 9.2916 9.3972 9.3972 9.7602 9.7602 9.8469 9.8469 9.8767 9.8767 k = 0.0000 0.0000 0.3830 ( 8369 PWs) bands (ev): -20.2056 -20.2056 -20.1770 -20.1770 -19.6075 -19.6075 -19.3260 -19.3260 -9.4984 -9.4984 -6.8654 -6.8654 -6.8312 -6.8312 -6.4883 -6.4883 -6.0244 -6.0244 -4.9599 -4.9599 -4.8681 -4.8681 -4.8617 -4.8617 -4.7627 -4.7627 -4.7193 -4.7193 -4.2444 -4.2444 -4.0865 -4.0865 -3.6971 -3.6971 -1.1352 -1.1352 -0.8567 -0.8567 4.9042 4.9042 5.7900 5.7900 5.8733 5.8733 6.0531 6.0531 6.5268 6.5268 6.7252 6.7252 6.9343 6.9343 7.1045 7.1045 7.4336 7.4336 8.7769 8.7769 9.3523 9.3523 9.4351 9.4351 9.7853 9.7853 9.9170 9.9170 9.9593 9.9593 k = 0.0000 0.0000 0.4125 ( 8355 PWs) bands (ev): -20.2048 -20.2048 -20.1773 -20.1773 -19.6021 -19.6021 -19.3308 -19.3308 -9.5264 -9.5264 -6.8663 -6.8663 -6.8315 -6.8315 -6.4709 -6.4709 -6.0198 -6.0198 -4.9562 -4.9562 -4.8674 -4.8674 -4.8544 -4.8544 -4.7573 -4.7573 -4.7152 -4.7152 -4.2405 -4.2405 -4.0870 -4.0870 -3.6984 -3.6984 -1.1163 -1.1163 -0.8608 -0.8608 4.8864 4.8864 5.7240 5.7240 5.8169 5.8169 6.0880 6.0880 6.5033 6.5033 6.6655 6.6655 6.9391 6.9391 7.0630 7.0630 7.4083 7.4083 8.7974 8.7974 9.4126 9.4126 9.4799 9.4799 9.8047 9.8047 9.9878 9.9878 10.0449 10.0449 k = 0.0000 0.0000 0.4419 ( 8351 PWs) bands (ev): -20.2040 -20.2040 -20.1776 -20.1776 -19.5964 -19.5964 -19.3359 -19.3359 -9.5554 -9.5554 -6.8671 -6.8671 -6.8319 -6.8319 -6.4543 -6.4543 -6.0143 -6.0143 -4.9557 -4.9557 -4.8674 -4.8674 -4.8464 -4.8464 -4.7521 -4.7521 -4.7075 -4.7075 -4.2360 -4.2360 -4.0865 -4.0865 -3.6984 -3.6984 -1.0972 -1.0972 -0.8656 -0.8656 4.8679 4.8679 5.6556 5.6556 5.7565 5.7565 6.1257 6.1257 6.4826 6.4826 6.6096 6.6096 6.9444 6.9444 7.0219 7.0219 7.3806 7.3806 8.8202 8.8202 9.4709 9.4709 9.5306 9.5306 9.8220 9.8220 10.0602 10.0602 10.1295 10.1295 k = 0.0000 0.0000 0.4714 ( 8349 PWs) bands (ev): -20.2032 -20.2032 -20.1779 -20.1779 -19.5905 -19.5905 -19.3411 -19.3411 -9.5852 -9.5852 -6.8678 -6.8678 -6.8325 -6.8325 -6.4388 -6.4388 -6.0077 -6.0077 -4.9573 -4.9573 -4.8676 -4.8676 -4.8397 -4.8397 -4.7480 -4.7480 -4.6957 -4.6957 -4.2308 -4.2308 -4.0846 -4.0846 -3.6973 -3.6973 -1.0783 -1.0783 -0.8712 -0.8712 4.8486 4.8486 5.5854 5.5854 5.6930 5.6930 6.1652 6.1652 6.4652 6.4652 6.5579 6.5579 6.9498 6.9498 6.9818 6.9818 7.3511 7.3511 8.8454 8.8454 9.5257 9.5257 9.5864 9.5864 9.8388 9.8388 10.1341 10.1341 10.2073 10.2073 k = 0.0000 0.0000 0.5009 ( 8347 PWs) bands (ev): -20.2024 -20.2024 -20.1782 -20.1782 -19.5844 -19.5844 -19.3465 -19.3465 -9.6155 -9.6155 -6.8684 -6.8684 -6.8331 -6.8331 -6.4246 -6.4246 -6.0000 -6.0000 -4.9603 -4.9603 -4.8677 -4.8677 -4.8350 -4.8350 -4.7450 -4.7450 -4.6801 -4.6801 -4.2245 -4.2245 -4.0811 -4.0811 -3.6949 -3.6949 -1.0595 -1.0595 -0.8775 -0.8775 4.8288 4.8288 5.5139 5.5139 5.6271 5.6271 6.2058 6.2058 6.4513 6.4513 6.5109 6.5109 6.9396 6.9396 6.9582 6.9582 7.3203 7.3203 8.8725 8.8725 9.5756 9.5756 9.6462 9.6462 9.8557 9.8557 10.2092 10.2092 10.2739 10.2739 k = 0.0000 0.0000 0.5303 ( 8349 PWs) bands (ev): -20.2015 -20.2015 -20.1785 -20.1785 -19.5781 -19.5781 -19.3521 -19.3521 -9.6462 -9.6462 -6.8688 -6.8688 -6.8339 -6.8339 -6.4121 -6.4121 -5.9910 -5.9910 -4.9642 -4.9642 -4.8677 -4.8677 -4.8325 -4.8325 -4.7429 -4.7429 -4.6621 -4.6621 -4.2166 -4.2166 -4.0760 -4.0760 -3.6912 -3.6912 -1.0412 -1.0412 -0.8846 -0.8846 4.8085 4.8085 5.4413 5.4413 5.5592 5.5592 6.2468 6.2468 6.4416 6.4416 6.4690 6.4690 6.9017 6.9017 6.9634 6.9634 7.2886 7.2886 8.9014 8.9014 9.6190 9.6190 9.7090 9.7090 9.8725 9.8725 10.2842 10.2842 10.3318 10.3318 k = 0.0000 0.0000 0.5598 ( 8353 PWs) bands (ev): -20.2006 -20.2006 -20.1789 -20.1789 -19.5717 -19.5717 -19.3577 -19.3577 -9.6772 -9.6772 -6.8692 -6.8692 -6.8347 -6.8347 -6.4015 -6.4015 -5.9807 -5.9807 -4.9687 -4.9687 -4.8677 -4.8677 -4.8316 -4.8316 -4.7416 -4.7416 -4.6433 -4.6433 -4.2067 -4.2067 -4.0692 -4.0692 -3.6864 -3.6864 -1.0234 -1.0234 -0.8924 -0.8924 4.7878 4.7878 5.3682 5.3682 5.4895 5.4895 6.2869 6.2869 6.4319 6.4319 6.4376 6.4376 6.8639 6.8639 6.9698 6.9698 7.2565 7.2565 8.9319 8.9319 9.6550 9.6550 9.7737 9.7737 9.8883 9.8883 10.3536 10.3536 10.3885 10.3885 k = 0.0000 0.0000 0.5892 ( 8353 PWs) bands (ev): -20.1997 -20.1997 -20.1792 -20.1792 -19.5651 -19.5651 -19.3634 -19.3634 -9.7082 -9.7082 -6.8695 -6.8695 -6.8357 -6.8357 -6.3929 -6.3929 -5.9692 -5.9692 -4.9735 -4.9735 -4.8676 -4.8676 -4.8319 -4.8319 -4.7407 -4.7407 -4.6248 -4.6248 -4.1943 -4.1943 -4.0605 -4.0605 -3.6804 -3.6804 -1.0064 -1.0064 -0.9009 -0.9009 4.7668 4.7668 5.2948 5.2948 5.4184 5.4184 6.3222 6.3222 6.4051 6.4051 6.4380 6.4380 6.8271 6.8271 6.9764 6.9764 7.2244 7.2244 8.9634 8.9634 9.6827 9.6827 9.8387 9.8387 9.9029 9.9029 10.4057 10.4057 10.4576 10.4576 k = 0.0000 0.0000 0.6187 ( 8357 PWs) bands (ev): -20.1988 -20.1988 -20.1796 -20.1796 -19.5584 -19.5584 -19.3692 -19.3692 -9.7392 -9.7392 -6.8697 -6.8697 -6.8367 -6.8367 -6.3865 -6.3865 -5.9563 -5.9563 -4.9784 -4.9784 -4.8675 -4.8675 -4.8331 -4.8331 -4.7402 -4.7402 -4.6078 -4.6078 -4.1793 -4.1793 -4.0499 -4.0499 -3.6733 -3.6733 -0.9904 -0.9904 -0.9099 -0.9099 4.7456 4.7456 5.2215 5.2215 5.3462 5.3462 6.3387 6.3387 6.3971 6.3971 6.4479 6.4479 6.7915 6.7915 6.9831 6.9831 7.1926 7.1926 8.9958 8.9958 9.7007 9.7007 9.8963 9.8963 9.9228 9.9228 10.4464 10.4464 10.5353 10.5353 k = 0.0000 0.0000 0.6482 ( 8361 PWs) bands (ev): -20.1979 -20.1979 -20.1799 -20.1799 -19.5517 -19.5517 -19.3750 -19.3750 -9.7699 -9.7699 -6.8697 -6.8697 -6.8378 -6.8378 -6.3821 -6.3821 -5.9424 -5.9424 -4.9833 -4.9833 -4.8674 -4.8674 -4.8350 -4.8350 -4.7401 -4.7401 -4.5928 -4.5928 -4.1614 -4.1614 -4.0374 -4.0374 -3.6651 -3.6651 -0.9756 -0.9756 -0.9193 -0.9193 4.7243 4.7243 5.1486 5.1486 5.2733 5.2733 6.3293 6.3293 6.4111 6.4111 6.4714 6.4714 6.7572 6.7572 6.9897 6.9897 7.1615 7.1615 9.0287 9.0287 9.7075 9.7075 9.9187 9.9187 9.9763 9.9763 10.4841 10.4841 10.6157 10.6157 k = 0.0000 0.0000 0.6776 ( 8365 PWs) bands (ev): -20.1970 -20.1970 -20.1803 -20.1803 -19.5450 -19.5450 -19.3808 -19.3808 -9.8003 -9.8003 -6.8697 -6.8697 -6.8389 -6.8389 -6.3797 -6.3797 -5.9276 -5.9276 -4.9882 -4.9882 -4.8674 -4.8674 -4.8371 -4.8371 -4.7405 -4.7405 -4.5801 -4.5801 -4.1411 -4.1411 -4.0229 -4.0229 -3.6559 -3.6559 -0.9633 -0.9633 -0.9278 -0.9278 4.7031 4.7031 5.0764 5.0764 5.2000 5.2000 6.3144 6.3144 6.4276 6.4276 6.5070 6.5070 6.7243 6.7243 6.9962 6.9962 7.1314 7.1314 9.0617 9.0617 9.7012 9.7012 9.9326 9.9326 10.0383 10.0383 10.5220 10.5220 10.6969 10.6969 k = 0.0000 0.0000 0.7071 ( 8369 PWs) bands (ev): -20.1961 -20.1961 -20.1806 -20.1806 -19.5382 -19.5382 -19.3865 -19.3865 -9.8302 -9.8302 -6.8696 -6.8696 -6.8401 -6.8401 -6.3792 -6.3792 -5.9121 -5.9121 -4.9929 -4.9929 -4.8677 -4.8677 -4.8393 -4.8393 -4.7412 -4.7412 -4.5697 -4.5697 -4.1188 -4.1188 -4.0061 -4.0061 -3.6458 -3.6458 -0.9576 -0.9576 -0.9313 -0.9313 4.6819 4.6819 5.0054 5.0054 5.1266 5.1266 6.3018 6.3018 6.4445 6.4445 6.5485 6.5485 6.6932 6.6932 7.0020 7.0020 7.1030 7.1030 9.0945 9.0945 9.6820 9.6820 9.9494 9.9494 10.0984 10.0984 10.5615 10.5615 10.7779 10.7779 k = 0.0000 0.0000 0.7366 ( 8375 PWs) bands (ev): -20.1952 -20.1952 -20.1810 -20.1810 -19.5315 -19.5315 -19.3922 -19.3922 -9.8594 -9.8594 -6.8695 -6.8695 -6.8413 -6.8413 -6.3803 -6.3803 -5.8962 -5.8962 -4.9974 -4.9974 -4.8682 -4.8682 -4.8414 -4.8414 -4.7423 -4.7423 -4.5614 -4.5614 -4.0954 -4.0954 -3.9869 -3.9869 -3.6348 -3.6348 -0.9629 -0.9629 -0.9254 -0.9254 4.6610 4.6610 4.9357 4.9357 5.0534 5.0534 6.2928 6.2928 6.4636 6.4636 6.5913 6.5913 6.6649 6.6649 7.0060 7.0060 7.0774 7.0774 9.1267 9.1267 9.6514 9.6514 9.9704 9.9704 10.1551 10.1551 10.6027 10.6027 10.8569 10.8569 k = 0.0000 0.0000 0.7660 ( 8375 PWs) bands (ev): -20.1944 -20.1944 -20.1813 -20.1813 -19.5249 -19.5249 -19.3977 -19.3977 -9.8879 -9.8879 -6.8692 -6.8692 -6.8425 -6.8425 -6.3828 -6.3828 -5.8801 -5.8801 -5.0015 -5.0015 -4.8694 -4.8694 -4.8430 -4.8430 -4.7438 -4.7438 -4.5549 -4.5549 -4.0718 -4.0718 -3.9651 -3.9651 -3.6229 -3.6229 -0.9734 -0.9734 -0.9158 -0.9158 4.6404 4.6404 4.8676 4.8676 4.9809 4.9809 6.2877 6.2877 6.4853 6.4853 6.6204 6.6204 6.6531 6.6531 7.0053 7.0053 7.0578 7.0578 9.1581 9.1581 9.6123 9.6123 9.9952 9.9952 10.2077 10.2077 10.6454 10.6454 10.9273 10.9273 k = 0.0000 0.0000 0.7955 ( 8361 PWs) bands (ev): -20.1935 -20.1935 -20.1817 -20.1817 -19.5184 -19.5184 -19.4031 -19.4031 -9.9156 -9.9156 -6.8689 -6.8689 -6.8437 -6.8437 -6.3866 -6.3866 -5.8639 -5.8639 -5.0053 -5.0053 -4.8711 -4.8711 -4.8441 -4.8441 -4.7456 -4.7456 -4.5499 -4.5499 -4.0488 -4.0488 -3.9405 -3.9405 -3.6103 -3.6103 -0.9855 -0.9855 -0.9059 -0.9059 4.6202 4.6202 4.8014 4.8014 4.9093 4.9093 6.2864 6.2864 6.5090 6.5090 6.6041 6.6041 6.6896 6.6896 6.9948 6.9948 7.0493 7.0493 9.1883 9.1883 9.5675 9.5675 10.0231 10.0231 10.2555 10.2555 10.6889 10.6889 10.9687 10.9687 k = 0.0000 0.0000 0.8249 ( 8355 PWs) bands (ev): -20.1927 -20.1927 -20.1820 -20.1820 -19.5120 -19.5120 -19.4084 -19.4084 -9.9423 -9.9423 -6.8686 -6.8686 -6.8450 -6.8450 -6.3914 -6.3914 -5.8480 -5.8480 -5.0087 -5.0087 -4.8736 -4.8736 -4.8444 -4.8444 -4.7479 -4.7479 -4.5461 -4.5461 -4.0272 -4.0272 -3.9135 -3.9135 -3.5968 -3.5968 -0.9984 -0.9984 -0.8965 -0.8965 4.6005 4.6005 4.7375 4.7375 4.8390 4.8390 6.2888 6.2888 6.5306 6.5306 6.5862 6.5862 6.7338 6.7338 6.9765 6.9765 7.0502 7.0502 9.2173 9.2173 9.5194 9.5194 10.0537 10.0537 10.2982 10.2982 10.7324 10.7324 10.9766 10.9766 k = 0.0000 0.0000 0.8544 ( 8355 PWs) bands (ev): -20.1919 -20.1919 -20.1823 -20.1823 -19.5059 -19.5059 -19.4135 -19.4135 -9.9679 -9.9679 -6.8682 -6.8682 -6.8462 -6.8462 -6.3970 -6.3970 -5.8325 -5.8325 -5.0116 -5.0116 -4.8768 -4.8768 -4.8442 -4.8442 -4.7505 -4.7505 -4.5430 -4.5430 -4.0070 -4.0070 -3.8847 -3.8847 -3.5827 -3.5827 -1.0115 -1.0115 -0.8880 -0.8880 4.5814 4.5814 4.6760 4.6760 4.7704 4.7704 6.2945 6.2945 6.5340 6.5340 6.5898 6.5898 6.7782 6.7782 6.9561 6.9561 7.0549 7.0549 9.2446 9.2446 9.4698 9.4698 10.0864 10.0864 10.3356 10.3356 10.7750 10.7750 10.9639 10.9639 k = 0.0000 0.0000 0.8839 ( 8359 PWs) bands (ev): -20.1912 -20.1912 -20.1826 -20.1826 -19.4999 -19.4999 -19.4184 -19.4184 -9.9923 -9.9923 -6.8677 -6.8677 -6.8474 -6.8474 -6.4032 -6.4032 -5.8176 -5.8176 -5.0141 -5.0141 -4.8804 -4.8804 -4.8434 -4.8434 -4.7533 -4.7533 -4.5406 -4.5406 -3.9883 -3.9883 -3.8547 -3.8547 -3.5680 -3.5680 -1.0248 -1.0248 -0.8803 -0.8803 4.5628 4.5628 4.6173 4.6173 4.7038 4.7038 6.3031 6.3031 6.5181 6.5181 6.6162 6.6162 6.8215 6.8215 6.9364 6.9364 7.0609 7.0609 9.2703 9.2703 9.4203 9.4203 10.1208 10.1208 10.3676 10.3676 10.8152 10.8152 10.9378 10.9378 k = 0.0000 0.0000 0.9133 ( 8367 PWs) bands (ev): -20.1904 -20.1904 -20.1829 -20.1829 -19.4942 -19.4942 -19.4231 -19.4231 -10.0155 -10.0155 -6.8673 -6.8673 -6.8485 -6.8485 -6.4098 -6.4098 -5.8034 -5.8034 -5.0161 -5.0161 -4.8845 -4.8845 -4.8421 -4.8421 -4.7565 -4.7565 -4.5387 -4.5387 -3.9710 -3.9710 -3.8244 -3.8244 -3.5526 -3.5526 -1.0380 -1.0380 -0.8734 -0.8734 4.5439 4.5439 4.5626 4.5626 4.6398 4.6398 6.3144 6.3144 6.4984 6.4984 6.6489 6.6489 6.8625 6.8625 6.9194 6.9194 7.0675 7.0675 9.2941 9.2941 9.3721 9.3721 10.1564 10.1564 10.3942 10.3942 10.8460 10.8460 10.9090 10.9090 k = 0.0000 0.0000 0.9428 ( 8357 PWs) bands (ev): -20.1898 -20.1898 -20.1832 -20.1832 -19.4888 -19.4888 -19.4275 -19.4275 -10.0373 -10.0373 -6.8668 -6.8668 -6.8496 -6.8496 -6.4166 -6.4166 -5.7900 -5.7900 -5.0176 -5.0176 -4.8888 -4.8888 -4.8406 -4.8406 -4.7599 -4.7599 -4.5371 -4.5371 -3.9549 -3.9549 -3.7945 -3.7945 -3.5368 -3.5368 -1.0509 -1.0509 -0.8674 -0.8674 4.5065 4.5065 4.5303 4.5303 4.5788 4.5788 6.3277 6.3277 6.4790 6.4790 6.6829 6.6829 6.8909 6.8909 6.9163 6.9163 7.0742 7.0742 9.3158 9.3158 9.3262 9.3262 10.1930 10.1930 10.4154 10.4154 10.8345 10.8345 10.9138 10.9138 k = 0.0000 0.0000 0.9723 ( 8347 PWs) bands (ev): -20.1891 -20.1891 -20.1834 -20.1834 -19.4836 -19.4836 -19.4316 -19.4316 -10.0576 -10.0576 -6.8663 -6.8663 -6.8507 -6.8507 -6.4234 -6.4234 -5.7774 -5.7774 -5.0187 -5.0187 -4.8932 -4.8932 -4.8387 -4.8387 -4.7634 -4.7634 -4.5357 -4.5357 -3.9400 -3.9400 -3.7658 -3.7658 -3.5207 -3.5207 -1.0635 -1.0635 -0.8622 -0.8622 4.4578 4.4578 4.5105 4.5105 4.5239 4.5239 6.3427 6.3427 6.4608 6.4608 6.7154 6.7154 6.8872 6.8872 6.9477 6.9477 7.0809 7.0809 9.2830 9.2830 9.3360 9.3360 10.2300 10.2300 10.4311 10.4311 10.7916 10.7916 10.9441 10.9441 k = 0.0000 0.0000 1.0017 ( 8327 PWs) bands (ev): -20.1885 -20.1885 -20.1837 -20.1837 -19.4789 -19.4789 -19.4355 -19.4355 -10.0765 -10.0765 -6.8658 -6.8658 -6.8517 -6.8517 -6.4302 -6.4302 -5.7658 -5.7658 -5.0193 -5.0193 -4.8978 -4.8978 -4.8366 -4.8366 -4.7672 -4.7672 -4.5344 -4.5344 -3.9263 -3.9263 -3.7387 -3.7387 -3.5043 -3.5043 -1.0755 -1.0755 -0.8576 -0.8576 4.4121 4.4121 4.4641 4.4641 4.5009 4.5009 6.3588 6.3588 6.4441 6.4441 6.7426 6.7426 6.8845 6.8845 6.9831 6.9831 7.0874 7.0874 9.2436 9.2436 9.3540 9.3540 10.2669 10.2669 10.4412 10.4412 10.7435 10.7435 10.9756 10.9756 k = 0.0000 0.0000 1.0312 ( 8329 PWs) bands (ev): -20.1880 -20.1880 -20.1839 -20.1839 -19.4745 -19.4745 -19.4390 -19.4390 -10.0937 -10.0937 -6.8653 -6.8653 -6.8527 -6.8527 -6.4368 -6.4368 -5.7553 -5.7553 -5.0194 -5.0194 -4.9023 -4.9023 -4.8344 -4.8344 -4.7710 -4.7710 -4.5333 -4.5333 -3.9137 -3.9137 -3.7137 -3.7137 -3.4880 -3.4880 -1.0869 -1.0869 -0.8538 -0.8538 4.3699 4.3699 4.4139 4.4139 4.4869 4.4869 6.3748 6.3748 6.4296 6.4296 6.7603 6.7603 6.8919 6.8919 7.0164 7.0164 7.0936 7.0936 9.2082 9.2082 9.3701 9.3701 10.3032 10.3032 10.4457 10.4457 10.6958 10.6958 11.0046 11.0046 k = 0.0000 0.0000 1.0606 ( 8331 PWs) bands (ev): -20.1875 -20.1875 -20.1841 -20.1841 -19.4704 -19.4704 -19.4422 -19.4422 -10.1094 -10.1094 -6.8648 -6.8648 -6.8536 -6.8536 -6.4429 -6.4429 -5.7458 -5.7458 -5.0192 -5.0192 -4.9067 -4.9067 -4.8319 -4.8319 -4.7749 -4.7749 -4.5323 -4.5323 -3.9024 -3.9024 -3.6911 -3.6911 -3.4720 -3.4720 -1.0974 -1.0974 -0.8505 -0.8505 4.3317 4.3317 4.3676 4.3676 4.4745 4.4745 6.3884 6.3884 6.4194 6.4194 6.7668 6.7668 6.9107 6.9107 7.0469 7.0469 7.0995 7.0995 9.1771 9.1771 9.3842 9.3842 10.3381 10.3381 10.4448 10.4448 10.6506 10.6506 11.0301 11.0301 k = 0.0000 0.0000 1.0901 ( 8327 PWs) bands (ev): -20.1871 -20.1871 -20.1843 -20.1843 -19.4668 -19.4668 -19.4451 -19.4451 -10.1233 -10.1233 -6.8643 -6.8643 -6.8544 -6.8544 -6.4486 -6.4486 -5.7373 -5.7373 -5.0187 -5.0187 -4.9110 -4.9110 -4.8293 -4.8293 -4.7788 -4.7788 -4.5314 -4.5314 -3.8923 -3.8923 -3.6710 -3.6710 -3.4566 -3.4566 -1.1070 -1.1070 -0.8478 -0.8478 4.2975 4.2975 4.3259 4.3259 4.4635 4.4635 6.3912 6.3912 6.4211 6.4211 6.7657 6.7657 6.9366 6.9366 7.0741 7.0741 7.1055 7.1055 9.1505 9.1505 9.3965 9.3965 10.3706 10.3706 10.4390 10.4390 10.6095 10.6095 11.0517 11.0517 k = 0.0000 0.0000 1.1196 ( 8329 PWs) bands (ev): -20.1867 -20.1867 -20.1844 -20.1844 -19.4637 -19.4637 -19.4476 -19.4476 -10.1354 -10.1354 -6.8639 -6.8639 -6.8552 -6.8552 -6.4538 -6.4538 -5.7300 -5.7300 -5.0179 -5.0179 -4.9150 -4.9150 -4.8266 -4.8266 -4.7828 -4.7828 -4.5306 -4.5306 -3.8835 -3.8835 -3.6536 -3.6536 -3.4423 -3.4423 -1.1156 -1.1156 -0.8456 -0.8456 4.2675 4.2675 4.2890 4.2890 4.4538 4.4538 6.3842 6.3842 6.4335 6.4335 6.7612 6.7612 6.9644 6.9644 7.0962 7.0962 7.1126 7.1126 9.1282 9.1282 9.4070 9.4070 10.3993 10.3993 10.4296 10.4296 10.5740 10.5740 11.0692 11.0692 k = 0.0000 0.0000 1.1490 ( 8321 PWs) bands (ev): -20.1863 -20.1863 -20.1846 -20.1846 -19.4610 -19.4610 -19.4497 -19.4497 -10.1458 -10.1458 -6.8635 -6.8635 -6.8558 -6.8558 -6.4583 -6.4583 -5.7238 -5.7238 -5.0170 -5.0170 -4.9187 -4.9187 -4.8237 -4.8237 -4.7867 -4.7867 -4.5299 -4.5299 -3.8760 -3.8760 -3.6390 -3.6390 -3.4294 -3.4294 -1.1231 -1.1231 -0.8438 -0.8438 4.2418 4.2418 4.2573 4.2573 4.4456 4.4456 6.3761 6.3761 6.4472 6.4472 6.7557 6.7557 6.9910 6.9910 7.1086 7.1086 7.1258 7.1258 9.1103 9.1103 9.4158 9.4158 10.4128 10.4128 10.4269 10.4269 10.5458 10.5458 11.0829 11.0829 k = 0.0000 0.0000 1.1785 ( 8313 PWs) bands (ev): -20.1861 -20.1861 -20.1847 -20.1847 -19.4587 -19.4587 -19.4515 -19.4515 -10.1543 -10.1543 -6.8631 -6.8631 -6.8564 -6.8564 -6.4621 -6.4621 -5.7187 -5.7187 -5.0160 -5.0160 -4.9220 -4.9220 -4.8207 -4.8207 -4.7905 -4.7905 -4.5293 -4.5293 -3.8698 -3.8698 -3.6270 -3.6270 -3.4182 -3.4182 -1.1293 -1.1293 -0.8423 -0.8423 4.2205 4.2205 4.2312 4.2312 4.4388 4.4388 6.3689 6.3689 6.4597 6.4597 6.7503 6.7503 7.0143 7.0143 7.1139 7.1139 7.1420 7.1420 9.0963 9.0963 9.4229 9.4229 10.4007 10.4007 10.4403 10.4403 10.5280 10.5280 11.0928 11.0929 k = 0.0000 0.0000 1.2080 ( 8327 PWs) bands (ev): -20.1859 -20.1859 -20.1848 -20.1848 -19.4570 -19.4570 -19.4529 -19.4529 -10.1610 -10.1610 -6.8627 -6.8627 -6.8569 -6.8569 -6.4651 -6.4651 -5.7148 -5.7148 -5.0151 -5.0151 -4.9246 -4.9246 -4.8177 -4.8177 -4.7942 -4.7942 -4.5288 -4.5288 -3.8649 -3.8649 -3.6177 -3.6177 -3.4091 -3.4091 -1.1342 -1.1342 -0.8413 -0.8413 4.2036 4.2036 4.2109 4.2109 4.4335 4.4335 6.3632 6.3632 6.4702 6.4702 6.7458 6.7458 7.0332 7.0332 7.1173 7.1173 7.1559 7.1559 9.0859 9.0859 9.4283 9.4283 10.3875 10.3875 10.4439 10.4439 10.5227 10.5227 11.0997 11.0997 k = 0.0000 0.0000 1.2374 ( 8326 PWs) bands (ev): -20.1857 -20.1857 -20.1848 -20.1848 -19.4557 -19.4557 -19.4539 -19.4539 -10.1658 -10.1658 -6.8625 -6.8625 -6.8573 -6.8573 -6.4672 -6.4672 -5.7119 -5.7119 -5.0144 -5.0144 -4.9266 -4.9266 -4.8147 -4.8147 -4.7977 -4.7977 -4.5285 -4.5285 -3.8614 -3.8614 -3.6111 -3.6111 -3.4025 -3.4025 -1.1377 -1.1377 -0.8406 -0.8406 4.1910 4.1910 4.1967 4.1967 4.4296 4.4296 6.3590 6.3590 6.4780 6.4780 6.7424 6.7424 7.0469 7.0469 7.1196 7.1196 7.1663 7.1663 9.0788 9.0788 9.4322 9.4322 10.3765 10.3765 10.4401 10.4401 10.5259 10.5259 11.1040 11.1040 k = 0.0000 0.0000 1.2669 ( 8342 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4549 -19.4549 -19.4545 -19.4545 -10.1687 -10.1687 -6.8623 -6.8623 -6.8575 -6.8575 -6.4686 -6.4686 -5.7102 -5.7102 -5.0139 -5.0139 -4.9279 -4.9279 -4.8121 -4.8121 -4.8006 -4.8006 -4.5283 -4.5283 -3.8594 -3.8594 -3.6072 -3.6072 -3.3984 -3.3984 -1.1399 -1.1399 -0.8401 -0.8401 4.1831 4.1831 4.1885 4.1885 4.4273 4.4273 6.3565 6.3565 6.4829 6.4829 6.7403 6.7403 7.0552 7.0552 7.1209 7.1209 7.1728 7.1728 9.0747 9.0747 9.4345 9.4345 10.3693 10.3693 10.4355 10.4355 10.5304 10.5304 11.1063 11.1063 k = 0.0000 0.0000 1.2963 ( 8338 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8622 -6.8622 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0137 -5.0137 -4.9283 -4.9283 -4.8108 -4.8108 -4.8020 -4.8020 -4.5282 -4.5282 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1406 -1.1406 -0.8400 -0.8400 4.1803 4.1803 4.1858 4.1858 4.4266 4.4266 6.3557 6.3557 6.4845 6.4845 6.7396 6.7396 7.0579 7.0579 7.1214 7.1214 7.1749 7.1749 9.0734 9.0734 9.4353 9.4353 10.3668 10.3668 10.4336 10.4336 10.5322 10.5322 11.1071 11.1071 k = 0.0000 0.0000 1.2963 ( 8338 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8622 -6.8622 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0137 -5.0137 -4.9283 -4.9283 -4.8108 -4.8108 -4.8020 -4.8020 -4.5282 -4.5282 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1406 -1.1406 -0.8400 -0.8400 4.1803 4.1803 4.1858 4.1858 4.4266 4.4266 6.3557 6.3557 6.4845 6.4845 6.7396 6.7396 7.0579 7.0579 7.1214 7.1214 7.1749 7.1749 9.0734 9.0734 9.4353 9.4353 10.3668 10.3668 10.4336 10.4336 10.5322 10.5322 11.1071 11.1071 k =-0.0109 0.0261 1.2963 ( 8342 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4549 -19.4549 -19.4545 -19.4545 -10.1687 -10.1687 -6.8623 -6.8623 -6.8575 -6.8575 -6.4686 -6.4686 -5.7102 -5.7102 -5.0134 -5.0134 -4.9284 -4.9284 -4.8120 -4.8120 -4.8008 -4.8008 -4.5281 -4.5281 -3.8593 -3.8593 -3.6071 -3.6071 -3.3982 -3.3982 -1.1400 -1.1400 -0.8400 -0.8400 4.1829 4.1829 4.1882 4.1882 4.4271 4.4271 6.3529 6.3529 6.4852 6.4852 6.7384 6.7384 7.0581 7.0581 7.1199 7.1199 7.1758 7.1758 9.0741 9.0741 9.4355 9.4355 10.3694 10.3694 10.4303 10.4303 10.5331 10.5331 11.1091 11.1091 k =-0.0218 0.0523 1.2963 ( 8336 PWs) bands (ev): -20.1856 -20.1856 -20.1850 -20.1850 -19.4556 -19.4556 -19.4539 -19.4539 -10.1661 -10.1661 -6.8626 -6.8626 -6.8571 -6.8571 -6.4674 -6.4674 -5.7118 -5.7118 -5.0126 -5.0126 -4.9288 -4.9288 -4.8146 -4.8146 -4.7982 -4.7982 -4.5279 -4.5279 -3.8613 -3.8613 -3.6108 -3.6108 -3.4020 -3.4020 -1.1382 -1.1382 -0.8399 -0.8399 4.1904 4.1904 4.1956 4.1956 4.4289 4.4289 6.3448 6.3448 6.4873 6.4873 6.7347 6.7347 7.0583 7.0583 7.1156 7.1156 7.1782 7.1782 9.0763 9.0763 9.4362 9.4362 10.3770 10.3770 10.4199 10.4199 10.5367 10.5367 11.1144 11.1145 k =-0.0328 0.0784 1.2963 ( 8338 PWs) bands (ev): -20.1855 -20.1855 -20.1851 -20.1851 -19.4568 -19.4568 -19.4530 -19.4530 -10.1617 -10.1617 -6.8630 -6.8630 -6.8566 -6.8566 -6.4654 -6.4654 -5.7145 -5.7145 -5.0112 -5.0112 -4.9294 -4.9294 -4.8177 -4.8177 -4.7951 -4.7951 -4.5275 -4.5275 -3.8646 -3.8646 -3.6170 -3.6170 -3.4080 -3.4080 -1.1351 -1.1351 -0.8397 -0.8397 4.2021 4.2021 4.2084 4.2084 4.4317 4.4317 6.3318 6.3318 6.4908 6.4908 6.7284 6.7284 7.0582 7.0582 7.1090 7.1090 7.1819 7.1819 9.0801 9.0801 9.4375 9.4375 10.3887 10.3887 10.4024 10.4024 10.5450 10.5450 11.1213 11.1214 k =-0.0437 0.1045 1.2963 ( 8318 PWs) bands (ev): -20.1855 -20.1855 -20.1853 -20.1853 -19.4584 -19.4584 -19.4517 -19.4517 -10.1555 -10.1555 -6.8636 -6.8636 -6.8558 -6.8558 -6.4626 -6.4626 -5.7182 -5.7182 -5.0093 -5.0093 -4.9301 -4.9301 -4.8210 -4.8210 -4.7917 -4.7917 -4.5270 -4.5270 -3.8693 -3.8693 -3.6257 -3.6257 -3.4163 -3.4163 -1.1309 -1.1309 -0.8395 -0.8395 4.2177 4.2177 4.2271 4.2271 4.4357 4.4357 6.3146 6.3146 6.4958 6.4958 6.7190 6.7190 7.0574 7.0574 7.1010 7.1010 7.1866 7.1866 9.0853 9.0853 9.4398 9.4398 10.3753 10.3753 10.4069 10.4069 10.5587 10.5587 11.1277 11.1277 k =-0.0437 0.1045 1.2963 ( 8318 PWs) bands (ev): -20.1855 -20.1855 -20.1853 -20.1853 -19.4584 -19.4584 -19.4517 -19.4517 -10.1555 -10.1555 -6.8636 -6.8636 -6.8558 -6.8558 -6.4626 -6.4626 -5.7182 -5.7182 -5.0093 -5.0093 -4.9301 -4.9301 -4.8210 -4.8210 -4.7917 -4.7917 -4.5270 -4.5270 -3.8693 -3.8693 -3.6257 -3.6257 -3.4163 -3.4163 -1.1309 -1.1309 -0.8395 -0.8395 4.2177 4.2177 4.2271 4.2271 4.4357 4.4357 6.3146 6.3146 6.4958 6.4958 6.7190 6.7190 7.0574 7.0574 7.1010 7.1010 7.1866 7.1866 9.0853 9.0853 9.4398 9.4398 10.3753 10.3753 10.4069 10.4069 10.5587 10.5587 11.1277 11.1277 k =-0.0518 0.1240 1.2752 ( 8323 PWs) bands (ev): -20.1855 -20.1855 -20.1854 -20.1854 -19.4598 -19.4598 -19.4507 -19.4507 -10.1493 -10.1493 -6.8641 -6.8641 -6.8551 -6.8551 -6.4598 -6.4598 -5.7219 -5.7219 -5.0076 -5.0076 -4.9305 -4.9305 -4.8238 -4.8238 -4.7889 -4.7889 -4.5266 -4.5266 -3.8740 -3.8740 -3.6346 -3.6346 -3.4243 -3.4243 -1.1267 -1.1267 -0.8395 -0.8395 4.2250 4.2250 4.2541 4.2541 4.4398 4.4398 6.2998 6.2998 6.4996 6.4996 6.7102 6.7102 7.0545 7.0545 7.0948 7.0948 7.1895 7.1895 9.0907 9.0907 9.4421 9.4421 10.3545 10.3545 10.4226 10.4226 10.5706 10.5706 11.1310 11.1310 k =-0.0600 0.1435 1.2541 ( 8333 PWs) bands (ev): -20.1855 -20.1855 -20.1855 -20.1855 -19.4613 -19.4613 -19.4497 -19.4497 -10.1412 -10.1412 -6.8646 -6.8646 -6.8543 -6.8543 -6.4562 -6.4562 -5.7268 -5.7268 -5.0059 -5.0059 -4.9306 -4.9306 -4.8269 -4.8269 -4.7857 -4.7857 -4.5262 -4.5262 -3.8802 -3.8802 -3.6464 -3.6464 -3.4340 -3.4340 -1.1211 -1.1211 -0.8396 -0.8396 4.2306 4.2306 4.2930 4.2930 4.4452 4.4452 6.2837 6.2837 6.5028 6.5028 6.7001 6.7001 7.0473 7.0473 7.0887 7.0887 7.1909 7.1909 9.0982 9.0982 9.4447 9.4447 10.3348 10.3348 10.4425 10.4425 10.5813 10.5813 11.1329 11.1330 k =-0.0681 0.1630 1.2330 ( 8333 PWs) bands (ev): -20.1857 -20.1857 -20.1855 -20.1855 -19.4627 -19.4627 -19.4488 -19.4488 -10.1313 -10.1313 -6.8652 -6.8652 -6.8534 -6.8534 -6.4518 -6.4518 -5.7329 -5.7329 -5.0041 -5.0041 -4.9301 -4.9301 -4.8302 -4.8302 -4.7823 -4.7823 -4.5257 -4.5257 -3.8879 -3.8879 -3.6612 -3.6612 -3.4450 -3.4450 -1.1143 -1.1143 -0.8398 -0.8398 4.2370 4.2370 4.3409 4.3409 4.4521 4.4521 6.2664 6.2664 6.5055 6.5055 6.6884 6.6884 7.0360 7.0360 7.0832 7.0832 7.1908 7.1908 9.1074 9.1074 9.4481 9.4481 10.3172 10.3172 10.4660 10.4660 10.5900 10.5900 11.1339 11.1339 k =-0.0763 0.1825 1.2118 ( 8340 PWs) bands (ev): -20.1859 -20.1859 -20.1855 -20.1855 -19.4642 -19.4642 -19.4479 -19.4479 -10.1196 -10.1196 -6.8658 -6.8658 -6.8525 -6.8525 -6.4466 -6.4466 -5.7401 -5.7401 -5.0023 -5.0023 -4.9292 -4.9292 -4.8336 -4.8336 -4.7787 -4.7787 -4.5253 -4.5253 -3.8974 -3.8974 -3.6791 -3.6791 -3.4567 -3.4567 -1.1063 -1.1063 -0.8401 -0.8401 4.2445 4.2445 4.3967 4.3967 4.4603 4.4603 6.2480 6.2480 6.5079 6.5079 6.6748 6.6748 7.0210 7.0210 7.0784 7.0784 7.1894 7.1894 9.1185 9.1185 9.4525 9.4525 10.3025 10.3025 10.4924 10.4924 10.5959 10.5959 11.1349 11.1349 k =-0.0844 0.2020 1.1907 ( 8340 PWs) bands (ev): -20.1861 -20.1861 -20.1856 -20.1856 -19.4658 -19.4658 -19.4471 -19.4471 -10.1062 -10.1062 -6.8664 -6.8664 -6.8515 -6.8515 -6.4408 -6.4408 -5.7484 -5.7484 -5.0006 -5.0006 -4.9278 -4.9278 -4.8371 -4.8371 -4.7750 -4.7750 -4.5249 -4.5249 -3.9085 -3.9085 -3.6998 -3.6998 -3.4686 -3.4686 -1.0972 -1.0972 -0.8405 -0.8405 4.2528 4.2528 4.4576 4.4576 4.4723 4.4723 6.2284 6.2284 6.5101 6.5101 6.6594 6.6594 7.0029 7.0029 7.0741 7.0741 7.1869 7.1869 9.1311 9.1311 9.4581 9.4581 10.2911 10.2911 10.5208 10.5208 10.5983 10.5983 11.1370 11.1370 k =-0.0926 0.2215 1.1696 ( 8344 PWs) bands (ev): -20.1862 -20.1862 -20.1857 -20.1857 -19.4673 -19.4673 -19.4463 -19.4463 -10.0913 -10.0913 -6.8670 -6.8670 -6.8504 -6.8504 -6.4343 -6.4343 -5.7578 -5.7578 -4.9989 -4.9989 -4.9259 -4.9259 -4.8406 -4.8406 -4.7713 -4.7713 -4.5244 -4.5244 -3.9215 -3.9215 -3.7231 -3.7231 -3.4804 -3.4804 -1.0872 -1.0872 -0.8411 -0.8411 4.2621 4.2621 4.4784 4.4784 4.5325 4.5325 6.2078 6.2078 6.5122 6.5122 6.6419 6.6419 6.9821 6.9821 7.0704 7.0704 7.1835 7.1835 9.1454 9.1454 9.4650 9.4650 10.2831 10.2831 10.5502 10.5502 10.5969 10.5969 11.1406 11.1406 k =-0.1007 0.2410 1.1485 ( 8344 PWs) bands (ev): -20.1864 -20.1864 -20.1858 -20.1858 -19.4689 -19.4689 -19.4456 -19.4456 -10.0750 -10.0750 -6.8677 -6.8677 -6.8494 -6.8494 -6.4273 -6.4273 -5.7683 -5.7683 -4.9972 -4.9972 -4.9235 -4.9235 -4.8442 -4.8442 -4.7676 -4.7676 -4.5240 -4.5240 -3.9364 -3.9364 -3.7484 -3.7484 -3.4919 -3.4919 -1.0762 -1.0762 -0.8417 -0.8417 4.2721 4.2721 4.4901 4.4901 4.6091 4.6091 6.1863 6.1863 6.5145 6.5145 6.6225 6.6225 6.9591 6.9591 7.0677 7.0677 7.1792 7.1792 9.1612 9.1612 9.4735 9.4735 10.2784 10.2784 10.5794 10.5794 10.5921 10.5921 11.1427 11.1427 k =-0.1089 0.2604 1.1273 ( 8338 PWs) bands (ev): -20.1866 -20.1866 -20.1859 -20.1859 -19.4705 -19.4705 -19.4450 -19.4450 -10.0573 -10.0573 -6.8683 -6.8683 -6.8483 -6.8483 -6.4199 -6.4199 -5.7798 -5.7798 -4.9957 -4.9957 -4.9207 -4.9207 -4.8478 -4.8478 -4.7639 -4.7639 -4.5235 -4.5235 -3.9531 -3.9531 -3.7754 -3.7754 -3.5027 -3.5027 -1.0644 -1.0644 -0.8425 -0.8425 4.2827 4.2827 4.5024 4.5024 4.6915 4.6915 6.1639 6.1639 6.5170 6.5170 6.6012 6.6012 6.9341 6.9341 7.0658 7.0658 7.1742 7.1742 9.1784 9.1784 9.4835 9.4835 10.2766 10.2766 10.5828 10.5828 10.6087 10.6087 11.1417 11.1417 k =-0.1170 0.2799 1.1062 ( 8350 PWs) bands (ev): -20.1868 -20.1868 -20.1860 -20.1860 -19.4720 -19.4720 -19.4444 -19.4444 -10.0384 -10.0384 -6.8690 -6.8690 -6.8473 -6.8473 -6.4120 -6.4120 -5.7922 -5.7922 -4.9942 -4.9942 -4.9175 -4.9175 -4.8514 -4.8514 -4.7603 -4.7603 -4.5229 -4.5229 -3.9719 -3.9719 -3.8033 -3.8033 -3.5130 -3.5130 -1.0519 -1.0519 -0.8433 -0.8433 4.2939 4.2939 4.5155 4.5155 4.7787 4.7787 6.1407 6.1407 6.5196 6.5196 6.5786 6.5786 6.9075 6.9075 7.0649 7.0649 7.1688 7.1688 9.1971 9.1971 9.4950 9.4950 10.2767 10.2767 10.5725 10.5725 10.6344 10.6344 11.1395 11.1395 k =-0.1252 0.2994 1.0851 ( 8349 PWs) bands (ev): -20.1870 -20.1870 -20.1862 -20.1862 -19.4735 -19.4735 -19.4439 -19.4439 -10.0185 -10.0185 -6.8697 -6.8697 -6.8462 -6.8462 -6.4039 -6.4039 -5.8056 -5.8056 -4.9929 -4.9929 -4.9139 -4.9139 -4.8550 -4.8550 -4.7567 -4.7567 -4.5222 -4.5222 -3.9925 -3.9925 -3.8315 -3.8315 -3.5226 -3.5226 -1.0389 -1.0389 -0.8442 -0.8442 4.3054 4.3054 4.5293 4.5293 4.8700 4.8700 6.1170 6.1170 6.5214 6.5214 6.5559 6.5559 6.8798 6.8798 7.0648 7.0648 7.1630 7.1630 9.2172 9.2172 9.5078 9.5078 10.2777 10.2777 10.5618 10.5618 10.6563 10.6563 11.1370 11.1370 k =-0.1333 0.3189 1.0640 ( 8351 PWs) bands (ev): -20.1872 -20.1872 -20.1863 -20.1863 -19.4751 -19.4751 -19.4434 -19.4434 -9.9977 -9.9977 -6.8704 -6.8704 -6.8452 -6.8452 -6.3956 -6.3956 -5.8197 -5.8197 -4.9916 -4.9916 -4.9102 -4.9102 -4.8583 -4.8583 -4.7532 -4.7532 -4.5214 -4.5214 -4.0147 -4.0147 -3.8597 -3.8597 -3.5316 -3.5316 -1.0255 -1.0255 -0.8451 -0.8451 4.3172 4.3172 4.5437 4.5437 4.9643 4.9643 6.0929 6.0929 6.5157 6.5157 6.5404 6.5404 6.8512 6.8512 7.0651 7.0651 7.1573 7.1573 9.2385 9.2385 9.5219 9.5219 10.2779 10.2779 10.5531 10.5531 10.6731 10.6731 11.1346 11.1346 k =-0.1415 0.3384 1.0428 ( 8353 PWs) bands (ev): -20.1874 -20.1874 -20.1865 -20.1865 -19.4766 -19.4766 -19.4430 -19.4430 -9.9763 -9.9763 -6.8711 -6.8711 -6.8442 -6.8442 -6.3872 -6.3872 -5.8345 -5.8345 -4.9905 -4.9905 -4.9065 -4.9065 -4.8614 -4.8614 -4.7498 -4.7498 -4.5205 -4.5205 -4.0382 -4.0382 -3.8875 -3.8875 -3.5400 -3.5400 -1.0118 -1.0118 -0.8460 -0.8460 4.3292 4.3292 4.5584 4.5584 5.0607 5.0607 6.0685 6.0685 6.4946 6.4946 6.5403 6.5403 6.8222 6.8222 7.0655 7.0655 7.1519 7.1519 9.2611 9.2611 9.5370 9.5370 10.2756 10.2756 10.5485 10.5485 10.6836 10.6836 11.1324 11.1324 k =-0.1496 0.3579 1.0217 ( 8352 PWs) bands (ev): -20.1876 -20.1876 -20.1866 -20.1866 -19.4780 -19.4780 -19.4426 -19.4426 -9.9544 -9.9544 -6.8718 -6.8718 -6.8432 -6.8432 -6.3789 -6.3789 -5.8499 -5.8499 -4.9896 -4.9896 -4.9032 -4.9032 -4.8638 -4.8638 -4.7465 -4.7465 -4.5194 -4.5194 -4.0626 -4.0626 -3.9148 -3.9148 -3.5478 -3.5478 -0.9980 -0.9980 -0.8470 -0.8470 4.3411 4.3411 4.5734 4.5734 5.1584 5.1584 6.0442 6.0442 6.4687 6.4687 6.5456 6.5456 6.7932 6.7932 7.0655 7.0655 7.1474 7.1474 9.2845 9.2845 9.5528 9.5528 10.2696 10.2696 10.5499 10.5499 10.6877 10.6877 11.1299 11.1299 k =-0.1578 0.3774 1.0006 ( 8360 PWs) bands (ev): -20.1878 -20.1878 -20.1868 -20.1868 -19.4794 -19.4794 -19.4422 -19.4422 -9.9323 -9.9323 -6.8726 -6.8726 -6.8422 -6.8422 -6.3707 -6.3707 -5.8657 -5.8657 -4.9888 -4.9888 -4.9005 -4.9005 -4.8653 -4.8653 -4.7433 -4.7433 -4.5181 -4.5181 -4.0872 -4.0872 -3.9414 -3.9414 -3.5549 -3.5549 -0.9842 -0.9842 -0.8480 -0.8480 4.3529 4.3529 4.5886 4.5886 5.2563 5.2563 6.0201 6.0201 6.4418 6.4418 6.5526 6.5526 6.7646 6.7646 7.0644 7.0644 7.1441 7.1441 9.3087 9.3087 9.5691 9.5691 10.2595 10.2595 10.5579 10.5579 10.6857 10.6857 11.1267 11.1267 k =-0.1659 0.3969 0.9794 ( 8365 PWs) bands (ev): -20.1880 -20.1880 -20.1870 -20.1870 -19.4808 -19.4808 -19.4419 -19.4419 -9.9102 -9.9102 -6.8733 -6.8733 -6.8413 -6.8413 -6.3628 -6.3628 -5.8816 -5.8816 -4.9882 -4.9882 -4.8991 -4.8991 -4.8655 -4.8655 -4.7404 -4.7404 -4.5165 -4.5165 -4.1115 -4.1115 -3.9675 -3.9675 -3.5615 -3.5615 -0.9706 -0.9706 -0.8490 -0.8490 4.3645 4.3645 4.6037 4.6037 5.3533 5.3533 5.9967 5.9967 6.4150 6.4150 6.5607 6.5607 6.7369 6.7369 7.0617 7.0617 7.1425 7.1425 9.3333 9.3333 9.5856 9.5856 10.2462 10.2462 10.5719 10.5719 10.6788 10.6788 11.1224 11.1224 k =-0.1741 0.4164 0.9583 ( 8367 PWs) bands (ev): -20.1882 -20.1882 -20.1872 -20.1872 -19.4820 -19.4820 -19.4417 -19.4417 -9.8883 -9.8883 -6.8741 -6.8741 -6.8404 -6.8404 -6.3553 -6.3553 -5.8975 -5.8975 -4.9879 -4.9879 -4.8990 -4.8990 -4.8640 -4.8640 -4.7375 -4.7375 -4.5147 -4.5147 -4.1349 -4.1349 -3.9930 -3.9930 -3.5676 -3.5676 -0.9573 -0.9573 -0.8500 -0.8500 4.3757 4.3757 4.6187 4.6187 5.4484 5.4484 5.9743 5.9743 6.3888 6.3888 6.5692 6.5692 6.7109 6.7109 7.0571 7.0571 7.1427 7.1427 9.3577 9.3577 9.6020 9.6020 10.2311 10.2311 10.5900 10.5900 10.6688 10.6688 11.1171 11.1171 k =-0.1822 0.4359 0.9372 ( 8373 PWs) bands (ev): -20.1883 -20.1883 -20.1873 -20.1873 -19.4833 -19.4833 -19.4414 -19.4414 -9.8668 -9.8668 -6.8748 -6.8748 -6.8396 -6.8396 -6.3484 -6.3484 -5.9132 -5.9132 -4.9878 -4.9878 -4.9002 -4.9002 -4.8612 -4.8612 -4.7349 -4.7349 -4.5124 -4.5124 -4.1568 -4.1568 -4.0180 -4.0180 -3.5731 -3.5731 -0.9444 -0.9444 -0.8509 -0.8509 4.3864 4.3864 4.6332 4.6332 5.5401 5.5401 5.9534 5.9534 6.3635 6.3635 6.5774 6.5774 6.6874 6.6874 7.0506 7.0506 7.1446 7.1446 9.3816 9.3816 9.6179 9.6179 10.2161 10.2161 10.6083 10.6083 10.6598 10.6598 11.1117 11.1117 k =-0.1904 0.4554 0.9161 ( 8363 PWs) bands (ev): -20.1885 -20.1885 -20.1875 -20.1875 -19.4844 -19.4844 -19.4412 -19.4412 -9.8461 -9.8461 -6.8756 -6.8756 -6.8389 -6.8389 -6.3420 -6.3420 -5.9284 -5.9284 -4.9881 -4.9881 -4.9021 -4.9021 -4.8575 -4.8575 -4.7325 -4.7325 -4.5098 -4.5098 -4.1770 -4.1770 -4.0425 -4.0425 -3.5781 -3.5781 -0.9321 -0.9321 -0.8518 -0.8518 4.3965 4.3965 4.6472 4.6472 5.6267 5.6267 5.9349 5.9349 6.3396 6.3396 6.5835 6.5835 6.6686 6.6686 7.0425 7.0425 7.1477 7.1477 9.4042 9.4042 9.6330 9.6330 10.2028 10.2028 10.6158 10.6158 10.6623 10.6623 11.1071 11.1071 k =-0.1985 0.4749 0.8949 ( 8369 PWs) bands (ev): -20.1886 -20.1886 -20.1876 -20.1876 -19.4854 -19.4854 -19.4410 -19.4410 -9.8263 -9.8263 -6.8764 -6.8764 -6.8382 -6.8382 -6.3364 -6.3364 -5.9429 -5.9429 -4.9886 -4.9886 -4.9043 -4.9043 -4.8533 -4.8533 -4.7303 -4.7303 -4.5067 -4.5067 -4.1951 -4.1951 -4.0665 -4.0665 -3.5825 -3.5825 -0.9206 -0.9206 -0.8526 -0.8526 4.4059 4.4059 4.6605 4.6605 5.7054 5.7054 5.9209 5.9209 6.3174 6.3174 6.5840 6.5840 6.6577 6.6577 7.0332 7.0332 7.1517 7.1517 9.4250 9.4250 9.6470 9.6470 10.1925 10.1925 10.6076 10.6076 10.6811 10.6811 11.1042 11.1042 k =-0.2067 0.4943 0.8738 ( 8373 PWs) bands (ev): -20.1888 -20.1888 -20.1878 -20.1878 -19.4864 -19.4864 -19.4409 -19.4409 -9.8077 -9.8077 -6.8771 -6.8771 -6.8375 -6.8375 -6.3315 -6.3315 -5.9563 -5.9563 -4.9895 -4.9895 -4.9065 -4.9065 -4.8490 -4.8490 -4.7283 -4.7283 -4.5033 -4.5033 -4.2108 -4.2108 -4.0897 -4.0897 -3.5865 -3.5865 -0.9099 -0.9099 -0.8534 -0.8534 4.4146 4.4146 4.6730 4.6730 5.7703 5.7703 5.9163 5.9163 6.2971 6.2971 6.5768 6.5768 6.6572 6.6572 7.0231 7.0231 7.1561 7.1561 9.4435 9.4435 9.6596 9.6596 10.1860 10.1860 10.5944 10.5944 10.7051 10.7051 11.1039 11.1039 k =-0.2148 0.5138 0.8527 ( 8379 PWs) bands (ev): -20.1889 -20.1889 -20.1879 -20.1879 -19.4873 -19.4873 -19.4408 -19.4408 -9.7907 -9.7907 -6.8778 -6.8778 -6.8369 -6.8369 -6.3274 -6.3274 -5.9686 -5.9686 -4.9906 -4.9906 -4.9085 -4.9085 -4.8448 -4.8448 -4.7266 -4.7266 -4.4995 -4.4995 -4.2239 -4.2239 -4.1122 -4.1122 -3.5900 -3.5900 -0.9002 -0.9002 -0.8540 -0.8540 4.4224 4.4224 4.6844 4.6844 5.8090 5.8090 5.9327 5.9327 6.2791 6.2791 6.5644 6.5644 6.6644 6.6644 7.0123 7.0123 7.1605 7.1605 9.4593 9.4593 9.6708 9.6708 10.1841 10.1841 10.5809 10.5809 10.7291 10.7291 11.1067 11.1067 k =-0.2230 0.5333 0.8316 ( 8383 PWs) bands (ev): -20.1890 -20.1890 -20.1880 -20.1880 -19.4880 -19.4880 -19.4407 -19.4407 -9.7753 -9.7753 -6.8784 -6.8784 -6.8365 -6.8365 -6.3241 -6.3241 -5.9796 -5.9796 -4.9919 -4.9919 -4.9102 -4.9102 -4.8409 -4.8409 -4.7251 -4.7251 -4.4955 -4.4955 -4.2344 -4.2344 -4.1336 -4.1336 -3.5930 -3.5930 -0.8916 -0.8916 -0.8546 -0.8546 4.4293 4.4293 4.6946 4.6946 5.8188 5.8188 5.9719 5.9719 6.2637 6.2637 6.5506 6.5506 6.6753 6.6753 7.0014 7.0014 7.1648 7.1648 9.4720 9.4720 9.6802 9.6802 10.1865 10.1865 10.5685 10.5685 10.7508 10.7508 11.1129 11.1129 k =-0.2311 0.5528 0.8104 ( 8379 PWs) bands (ev): -20.1891 -20.1891 -20.1881 -20.1881 -19.4887 -19.4887 -19.4406 -19.4406 -9.7619 -9.7619 -6.8790 -6.8790 -6.8360 -6.8360 -6.3215 -6.3215 -5.9890 -5.9890 -4.9933 -4.9933 -4.9117 -4.9117 -4.8374 -4.8374 -4.7239 -4.7239 -4.4914 -4.4914 -4.2422 -4.2422 -4.1537 -4.1537 -3.5955 -3.5955 -0.8842 -0.8842 -0.8550 -0.8550 4.4352 4.4352 4.7035 4.7035 5.8155 5.8155 6.0171 6.0171 6.2513 6.2513 6.5374 6.5374 6.6875 6.6875 6.9907 6.9907 7.1687 7.1687 9.4818 9.4818 9.6881 9.6881 10.1928 10.1928 10.5577 10.5577 10.7688 10.7688 11.1213 11.1213 k =-0.2393 0.5723 0.7893 ( 8369 PWs) bands (ev): -20.1892 -20.1892 -20.1882 -20.1882 -19.4892 -19.4892 -19.4405 -19.4405 -9.7507 -9.7507 -6.8795 -6.8795 -6.8357 -6.8357 -6.3196 -6.3196 -5.9967 -5.9967 -4.9946 -4.9946 -4.9128 -4.9128 -4.8345 -4.8345 -4.7230 -4.7230 -4.4874 -4.4874 -4.2472 -4.2472 -4.1722 -4.1722 -3.5975 -3.5975 -0.8781 -0.8781 -0.8553 -0.8553 4.4401 4.4401 4.7109 4.7109 5.8091 5.8091 6.0574 6.0574 6.2422 6.2422 6.5259 6.5259 6.6996 6.6996 6.9806 6.9806 7.1721 7.1721 9.4890 9.4890 9.6943 9.6943 10.2018 10.2018 10.5488 10.5488 10.7820 10.7820 11.1215 11.1215 k =-0.2474 0.5918 0.7682 ( 8361 PWs) bands (ev): -20.1892 -20.1892 -20.1883 -20.1883 -19.4896 -19.4896 -19.4405 -19.4405 -9.7417 -9.7417 -6.8799 -6.8799 -6.8354 -6.8354 -6.3182 -6.3182 -6.0028 -6.0028 -4.9958 -4.9958 -4.9137 -4.9137 -4.8321 -4.8321 -4.7223 -4.7223 -4.4839 -4.4839 -4.2495 -4.2495 -4.1886 -4.1886 -3.5991 -3.5991 -0.8734 -0.8734 -0.8554 -0.8554 4.4440 4.4440 4.7168 4.7168 5.8029 5.8029 6.0890 6.0890 6.2367 6.2367 6.5167 6.5167 6.7105 6.7105 6.9717 6.9717 7.1749 7.1749 9.4938 9.4938 9.6990 9.6990 10.2118 10.2118 10.5420 10.5420 10.7902 10.7902 11.1054 11.1054 k =-0.2555 0.6113 0.7471 ( 8373 PWs) bands (ev): -20.1893 -20.1893 -20.1883 -20.1883 -19.4899 -19.4899 -19.4404 -19.4404 -9.7352 -9.7352 -6.8802 -6.8802 -6.8352 -6.8352 -6.3173 -6.3173 -6.0071 -6.0071 -4.9967 -4.9967 -4.9142 -4.9142 -4.8303 -4.8303 -4.7218 -4.7218 -4.4812 -4.4812 -4.2494 -4.2494 -4.2024 -4.2024 -3.6003 -3.6003 -0.8701 -0.8701 -0.8554 -0.8554 4.4468 4.4468 4.7211 4.7211 5.7979 5.7979 6.1106 6.1106 6.2344 6.2344 6.5099 6.5099 6.7192 6.7192 6.9646 6.9646 7.1769 7.1769 9.4968 9.4968 9.7023 9.7023 10.2209 10.2209 10.5372 10.5372 10.7939 10.7939 11.0915 11.0915 k =-0.2637 0.6308 0.7259 ( 8361 PWs) bands (ev): -20.1893 -20.1893 -20.1884 -20.1884 -19.4901 -19.4901 -19.4404 -19.4404 -9.7313 -9.7313 -6.8804 -6.8804 -6.8351 -6.8351 -6.3169 -6.3169 -6.0097 -6.0097 -4.9973 -4.9973 -4.9145 -4.9145 -4.8293 -4.8293 -4.7215 -4.7215 -4.4794 -4.4794 -4.2479 -4.2479 -4.2123 -4.2123 -3.6009 -3.6009 -0.8682 -0.8682 -0.8553 -0.8553 4.4484 4.4484 4.7237 4.7237 5.7948 5.7948 6.1227 6.1227 6.2343 6.2343 6.5058 6.5058 6.7249 6.7249 6.9599 6.9599 7.1782 7.1782 9.4985 9.4985 9.7042 9.7042 10.2274 10.2274 10.5343 10.5343 10.7949 10.7949 11.0836 11.0836 k =-0.2718 0.6503 0.7048 ( 8359 PWs) bands (ev): -20.1893 -20.1893 -20.1884 -20.1884 -19.4902 -19.4902 -19.4404 -19.4404 -9.7299 -9.7299 -6.8805 -6.8805 -6.8350 -6.8350 -6.3167 -6.3167 -6.0106 -6.0106 -4.9975 -4.9975 -4.9146 -4.9146 -4.8289 -4.8289 -4.7214 -4.7214 -4.4788 -4.4788 -4.2468 -4.2468 -4.2161 -4.2161 -3.6012 -3.6012 -0.8676 -0.8676 -0.8552 -0.8552 4.4490 4.4490 4.7246 4.7246 5.7938 5.7938 6.1264 6.1264 6.2345 6.2345 6.5045 6.5045 6.7268 6.7268 6.9583 6.9583 7.1786 7.1786 9.4990 9.4990 9.7048 9.7048 10.2297 10.2297 10.5334 10.5334 10.7950 10.7950 11.0811 11.0811 k =-0.2718 0.6503 0.7048 ( 8359 PWs) bands (ev): -20.1893 -20.1893 -20.1884 -20.1884 -19.4902 -19.4902 -19.4404 -19.4404 -9.7299 -9.7299 -6.8805 -6.8805 -6.8350 -6.8350 -6.3167 -6.3167 -6.0106 -6.0106 -4.9975 -4.9975 -4.9146 -4.9146 -4.8289 -4.8289 -4.7214 -4.7214 -4.4788 -4.4788 -4.2468 -4.2468 -4.2161 -4.2161 -3.6012 -3.6012 -0.8676 -0.8676 -0.8552 -0.8552 4.4490 4.4490 4.7246 4.7246 5.7938 5.7938 6.1264 6.1264 6.2345 6.2345 6.5045 6.5045 6.7268 6.7268 6.9583 6.9583 7.1786 7.1786 9.4990 9.4990 9.7048 9.7048 10.2297 10.2297 10.5334 10.5334 10.7950 10.7950 11.0811 11.0811 k =-0.2639 0.6311 0.6841 ( 8363 PWs) bands (ev): -20.1890 -20.1890 -20.1885 -20.1885 -19.4817 -19.4817 -19.4488 -19.4488 -9.7342 -9.7342 -6.8785 -6.8785 -6.8377 -6.8377 -6.3141 -6.3141 -6.0098 -6.0098 -4.9975 -4.9975 -4.9137 -4.9137 -4.8314 -4.8314 -4.7226 -4.7226 -4.4705 -4.4705 -4.2444 -4.2444 -4.2232 -4.2232 -3.5956 -3.5956 -0.8658 -0.8658 -0.8552 -0.8552 4.4301 4.4301 4.7239 4.7239 5.7775 5.7775 6.1285 6.1285 6.2505 6.2505 6.5090 6.5090 6.7324 6.7324 6.9458 6.9458 7.1548 7.1548 9.5264 9.5264 9.6670 9.6670 10.2843 10.2843 10.4912 10.4912 10.8162 10.8162 11.1230 11.1230 k =-0.2559 0.6120 0.6633 ( 8371 PWs) bands (ev): -20.1897 -20.1897 -20.1878 -20.1878 -19.4741 -19.4741 -19.4564 -19.4564 -9.7365 -9.7365 -6.8767 -6.8767 -6.8401 -6.8401 -6.3126 -6.3126 -6.0092 -6.0092 -4.9972 -4.9972 -4.9125 -4.9125 -4.8337 -4.8337 -4.7238 -4.7238 -4.4653 -4.4653 -4.2414 -4.2414 -4.2287 -4.2287 -3.5925 -3.5925 -0.8644 -0.8644 -0.8566 -0.8566 4.4197 4.4197 4.7245 4.7245 5.7662 5.7662 6.1307 6.1307 6.2682 6.2682 6.5150 6.5150 6.7342 6.7342 6.9353 6.9353 7.1340 7.1340 9.5527 9.5527 9.6289 9.6289 10.3335 10.3335 10.4380 10.4380 10.8313 10.8313 11.1438 11.1438 k =-0.2479 0.5929 0.6426 ( 8369 PWs) bands (ev): -20.1905 -20.1905 -20.1870 -20.1870 -19.4717 -19.4717 -19.4588 -19.4588 -9.7370 -9.7370 -6.8749 -6.8749 -6.8423 -6.8423 -6.3124 -6.3124 -6.0089 -6.0089 -4.9965 -4.9965 -4.9111 -4.9111 -4.8356 -4.8356 -4.7252 -4.7252 -4.4635 -4.4635 -4.2376 -4.2376 -4.2323 -4.2323 -3.5919 -3.5919 -0.8632 -0.8632 -0.8594 -0.8594 4.4178 4.4178 4.7264 4.7264 5.7599 5.7599 6.1330 6.1330 6.2874 6.2874 6.5223 6.5223 6.7320 6.7320 6.9269 6.9269 7.1165 7.1165 9.5766 9.5766 9.5915 9.5915 10.3723 10.3723 10.3809 10.3809 10.8386 10.8386 11.1328 11.1328 k =-0.2399 0.5738 0.6219 ( 8383 PWs) bands (ev): -20.1912 -20.1912 -20.1863 -20.1863 -19.4780 -19.4780 -19.4525 -19.4525 -9.7356 -9.7356 -6.8732 -6.8732 -6.8441 -6.8441 -6.3135 -6.3135 -6.0088 -6.0088 -4.9955 -4.9955 -4.9095 -4.9095 -4.8371 -4.8371 -4.7265 -4.7265 -4.4652 -4.4652 -4.2362 -4.2362 -4.2306 -4.2306 -3.5940 -3.5940 -0.8641 -0.8641 -0.8618 -0.8618 4.4247 4.4247 4.7295 4.7295 5.7587 5.7587 6.1356 6.1356 6.3074 6.3074 6.5309 6.5309 6.7259 6.7259 6.9207 6.9207 7.1026 7.1026 9.5529 9.5529 9.5997 9.5997 10.3054 10.3054 10.4180 10.4180 10.8360 10.8360 11.0995 11.0995 k =-0.2319 0.5546 0.6012 ( 8381 PWs) bands (ev): -20.1920 -20.1920 -20.1856 -20.1856 -19.4862 -19.4862 -19.4443 -19.4443 -9.7323 -9.7323 -6.8717 -6.8717 -6.8456 -6.8456 -6.3157 -6.3157 -6.0090 -6.0090 -4.9941 -4.9941 -4.9076 -4.9076 -4.8383 -4.8383 -4.7279 -4.7279 -4.4703 -4.4703 -4.2371 -4.2371 -4.2240 -4.2240 -3.5985 -3.5985 -0.8700 -0.8700 -0.8610 -0.8610 4.4401 4.4401 4.7338 4.7338 5.7625 5.7625 6.1384 6.1384 6.3280 6.3280 6.5408 6.5408 6.7161 6.7161 6.9167 6.9167 7.0928 7.0928 9.5163 9.5163 9.6183 9.6183 10.2299 10.2299 10.4546 10.4546 10.8214 10.8214 11.0521 11.0521 k =-0.2239 0.5355 0.5804 ( 8383 PWs) bands (ev): -20.1928 -20.1928 -20.1849 -20.1849 -19.4947 -19.4947 -19.4359 -19.4359 -9.7271 -9.7271 -6.8704 -6.8704 -6.8466 -6.8466 -6.3192 -6.3192 -6.0094 -6.0094 -4.9923 -4.9923 -4.9056 -4.9056 -4.8392 -4.8392 -4.7293 -4.7293 -4.4786 -4.4786 -4.2375 -4.2375 -4.2156 -4.2156 -3.6054 -3.6054 -0.8776 -0.8776 -0.8600 -0.8600 4.4639 4.4639 4.7392 4.7392 5.7713 5.7713 6.1415 6.1415 6.3487 6.3487 6.5515 6.5515 6.7030 6.7030 6.9153 6.9153 7.0872 7.0872 9.4808 9.4808 9.6332 9.6332 10.1497 10.1497 10.4886 10.4886 10.7932 10.7932 10.9943 10.9943 k =-0.2159 0.5164 0.5597 ( 8381 PWs) bands (ev): -20.1937 -20.1937 -20.1842 -20.1842 -19.5034 -19.5034 -19.4274 -19.4274 -9.7202 -9.7202 -6.8694 -6.8694 -6.8472 -6.8472 -6.3238 -6.3238 -6.0101 -6.0101 -4.9903 -4.9903 -4.9034 -4.9034 -4.8398 -4.8398 -4.7306 -4.7306 -4.4896 -4.4896 -4.2373 -4.2373 -4.2059 -4.2059 -3.6144 -3.6144 -0.8869 -0.8869 -0.8591 -0.8591 4.4959 4.4959 4.7458 4.7458 5.7848 5.7848 6.1450 6.1450 6.3689 6.3689 6.5628 6.5628 6.6871 6.6871 6.9167 6.9167 7.0860 7.0860 9.4468 9.4468 9.6440 9.6440 10.0659 10.0659 10.5197 10.5197 10.7504 10.7504 10.9287 10.9287 k =-0.2079 0.4973 0.5390 ( 8379 PWs) bands (ev): -20.1945 -20.1945 -20.1836 -20.1836 -19.5119 -19.5119 -19.4189 -19.4189 -9.7114 -9.7114 -6.8686 -6.8686 -6.8474 -6.8474 -6.3297 -6.3297 -6.0110 -6.0110 -4.9879 -4.9879 -4.9011 -4.9011 -4.8401 -4.8401 -4.7319 -4.7319 -4.5029 -4.5029 -4.2369 -4.2369 -4.1952 -4.1952 -3.6251 -3.6251 -0.8977 -0.8977 -0.8581 -0.8581 4.5359 4.5359 4.7534 4.7534 5.8030 5.8030 6.1490 6.1490 6.3885 6.3885 6.5735 6.5735 6.6696 6.6696 6.9211 6.9211 7.0892 7.0892 9.4146 9.4146 9.6506 9.6506 9.9795 9.9795 10.5457 10.5457 10.6936 10.6936 10.8570 10.8570 k =-0.1999 0.4781 0.5182 ( 8383 PWs) bands (ev): -20.1954 -20.1954 -20.1829 -20.1829 -19.5204 -19.5204 -19.4106 -19.4106 -9.7009 -9.7009 -6.8682 -6.8682 -6.8471 -6.8471 -6.3367 -6.3367 -6.0121 -6.0121 -4.9853 -4.9853 -4.8987 -4.8987 -4.8402 -4.8402 -4.7331 -4.7331 -4.5183 -4.5183 -4.2364 -4.2364 -4.1838 -4.1838 -3.6370 -3.6370 -0.9100 -0.9100 -0.8572 -0.8572 4.5834 4.5834 4.7620 4.7620 5.8256 5.8256 6.1534 6.1534 6.4071 6.4071 6.5812 6.5812 6.6532 6.6532 6.9287 6.9287 7.0968 7.0968 9.3844 9.3844 9.6532 9.6532 9.8915 9.8915 10.5604 10.5604 10.6246 10.6246 10.7819 10.7819 k =-0.1919 0.4590 0.4975 ( 8379 PWs) bands (ev): -20.1963 -20.1963 -20.1823 -20.1823 -19.5288 -19.5288 -19.4024 -19.4024 -9.6888 -9.6888 -6.8679 -6.8679 -6.8464 -6.8464 -6.3448 -6.3448 -6.0133 -6.0133 -4.9825 -4.9825 -4.8962 -4.8962 -4.8402 -4.8402 -4.7341 -4.7341 -4.5353 -4.5353 -4.2358 -4.2358 -4.1721 -4.1721 -3.6497 -3.6497 -0.9238 -0.9238 -0.8563 -0.8563 4.6380 4.6380 4.7717 4.7717 5.8520 5.8520 6.1584 6.1584 6.4246 6.4246 6.5803 6.5803 6.6441 6.6441 6.9396 6.9396 7.1087 7.1087 9.3565 9.3565 9.6522 9.6522 9.8026 9.8026 10.5394 10.5394 10.5577 10.5577 10.7052 10.7052 k =-0.1839 0.4399 0.4768 ( 8377 PWs) bands (ev): -20.1971 -20.1971 -20.1817 -20.1817 -19.5371 -19.5371 -19.3943 -19.3943 -9.6751 -9.6751 -6.8678 -6.8678 -6.8455 -6.8455 -6.3541 -6.3541 -6.0147 -6.0147 -4.9796 -4.9796 -4.8938 -4.8938 -4.8400 -4.8400 -4.7350 -4.7350 -4.5537 -4.5537 -4.2354 -4.2354 -4.1605 -4.1605 -3.6626 -3.6626 -0.9388 -0.9388 -0.8554 -0.8554 4.6994 4.6994 4.7822 4.7822 5.8817 5.8817 6.1641 6.1641 6.4408 6.4408 6.5666 6.5666 6.6470 6.6470 6.9537 6.9537 7.1250 7.1250 9.3312 9.3312 9.6472 9.6472 9.7143 9.7143 10.4546 10.4546 10.5133 10.5133 10.6268 10.6268 k =-0.1759 0.4208 0.4561 ( 8373 PWs) bands (ev): -20.1980 -20.1980 -20.1811 -20.1811 -19.5452 -19.5452 -19.3865 -19.3865 -9.6599 -9.6599 -6.8677 -6.8677 -6.8444 -6.8444 -6.3645 -6.3645 -6.0162 -6.0162 -4.9765 -4.9765 -4.8914 -4.8914 -4.8398 -4.8398 -4.7357 -4.7357 -4.5733 -4.5733 -4.2351 -4.2351 -4.1492 -4.1492 -3.6752 -3.6752 -0.9551 -0.9551 -0.8544 -0.8544 4.7669 4.7669 4.7935 4.7935 5.9138 5.9138 6.1707 6.1707 6.4557 6.4557 6.5457 6.5457 6.6575 6.6575 6.9708 6.9708 7.1452 7.1452 9.3085 9.3085 9.6180 9.6180 9.6481 9.6481 10.3610 10.3610 10.4475 10.4475 10.5457 10.5457 k =-0.1679 0.4016 0.4353 ( 8361 PWs) bands (ev): -20.1989 -20.1989 -20.1806 -20.1806 -19.5531 -19.5531 -19.3788 -19.3788 -9.6433 -9.6433 -6.8677 -6.8677 -6.8431 -6.8431 -6.3759 -6.3759 -6.0178 -6.0178 -4.9734 -4.9734 -4.8892 -4.8892 -4.8397 -4.8397 -4.7362 -4.7362 -4.5939 -4.5939 -4.2350 -4.2350 -4.1385 -4.1385 -3.6869 -3.6869 -0.9725 -0.9725 -0.8535 -0.8535 4.8055 4.8055 4.8400 4.8400 5.9470 5.9470 6.1782 6.1782 6.4688 6.4688 6.5239 6.5239 6.6712 6.6712 6.9905 6.9905 7.1692 7.1692 9.2886 9.2886 9.5339 9.5339 9.6355 9.6355 10.2632 10.2632 10.3722 10.3722 10.4630 10.4630 k =-0.1599 0.3825 0.4146 ( 8371 PWs) bands (ev): -20.1998 -20.1998 -20.1801 -20.1801 -19.5607 -19.5607 -19.3714 -19.3714 -9.6254 -9.6254 -6.8676 -6.8676 -6.8418 -6.8418 -6.3883 -6.3883 -6.0195 -6.0195 -4.9703 -4.9703 -4.8871 -4.8871 -4.8399 -4.8399 -4.7365 -4.7365 -4.6150 -4.6150 -4.2352 -4.2352 -4.1287 -4.1287 -3.6972 -3.6972 -0.9908 -0.9908 -0.8525 -0.8525 4.8182 4.8182 4.9179 4.9179 5.9793 5.9793 6.1870 6.1870 6.4768 6.4768 6.5085 6.5085 6.6862 6.6862 7.0125 7.0125 7.1965 7.1965 9.2718 9.2718 9.4481 9.4481 9.6243 9.6243 10.1631 10.1631 10.2951 10.2951 10.3800 10.3800 k =-0.1519 0.3634 0.3939 ( 8377 PWs) bands (ev): -20.2007 -20.2007 -20.1796 -20.1796 -19.5682 -19.5682 -19.3643 -19.3643 -9.6064 -9.6064 -6.8674 -6.8674 -6.8405 -6.8405 -6.4016 -6.4016 -6.0212 -6.0212 -4.9673 -4.9673 -4.8853 -4.8853 -4.8403 -4.8403 -4.7365 -4.7365 -4.6365 -4.6365 -4.2358 -4.2358 -4.1199 -4.1199 -3.7058 -3.7058 -1.0099 -1.0099 -0.8516 -0.8516 4.8315 4.8315 5.0002 5.0002 6.0083 6.0083 6.1970 6.1970 6.4729 6.4729 6.5099 6.5099 6.7020 6.7020 7.0364 7.0364 7.2265 7.2265 9.2580 9.2580 9.3642 9.3642 9.6115 9.6115 10.0621 10.0621 10.2200 10.2200 10.2976 10.2976 k =-0.1439 0.3443 0.3731 ( 8373 PWs) bands (ev): -20.2016 -20.2016 -20.1791 -20.1791 -19.5754 -19.5754 -19.3574 -19.3574 -9.5863 -9.5863 -6.8672 -6.8672 -6.8392 -6.8392 -6.4157 -6.4157 -6.0230 -6.0230 -4.9646 -4.9646 -4.8838 -4.8838 -4.8412 -4.8412 -4.7363 -4.7363 -4.6578 -4.6578 -4.2367 -4.2367 -4.1121 -4.1121 -3.7122 -3.7122 -1.0296 -1.0296 -0.8506 -0.8506 4.8452 4.8452 5.0860 5.0860 6.0308 6.0308 6.2075 6.2075 6.4687 6.4687 6.5212 6.5212 6.7181 6.7181 7.0619 7.0619 7.2586 7.2586 9.2469 9.2469 9.2834 9.2834 9.5966 9.5966 9.9613 9.9613 10.1488 10.1488 10.2166 10.2166 k =-0.1359 0.3251 0.3524 ( 8367 PWs) bands (ev): -20.2025 -20.2025 -20.1786 -20.1786 -19.5823 -19.5823 -19.3507 -19.3507 -9.5655 -9.5655 -6.8668 -6.8668 -6.8380 -6.8380 -6.4306 -6.4306 -6.0247 -6.0247 -4.9625 -4.9625 -4.8828 -4.8828 -4.8427 -4.8427 -4.7359 -4.7359 -4.6785 -4.6785 -4.2380 -4.2380 -4.1054 -4.1054 -3.7164 -3.7164 -1.0498 -1.0498 -0.8497 -0.8497 4.8593 4.8593 5.1746 5.1746 6.0444 6.0444 6.2169 6.2169 6.4760 6.4760 6.5351 6.5351 6.7344 6.7344 7.0886 7.0886 7.2920 7.2920 9.2034 9.2034 9.2417 9.2417 9.5792 9.5792 9.8617 9.8617 10.0830 10.0830 10.1377 10.1377 k =-0.1279 0.3060 0.3317 ( 8373 PWs) bands (ev): -20.2033 -20.2033 -20.1782 -20.1782 -19.5889 -19.5889 -19.3444 -19.3444 -9.5440 -9.5440 -6.8664 -6.8664 -6.8369 -6.8369 -6.4461 -6.4461 -6.0265 -6.0265 -4.9611 -4.9611 -4.8823 -4.8823 -4.8447 -4.8447 -4.7354 -4.7354 -4.6979 -4.6979 -4.2397 -4.2397 -4.0998 -4.0998 -3.7183 -3.7183 -1.0703 -1.0703 -0.8488 -0.8488 4.8735 4.8735 5.2653 5.2653 6.0479 6.0479 6.2238 6.2238 6.4992 6.4992 6.5503 6.5503 6.7508 6.7508 7.1165 7.1165 7.3260 7.3260 9.1298 9.1298 9.2371 9.2371 9.5589 9.5589 9.7641 9.7641 10.0233 10.0233 10.0617 10.0617 k =-0.1199 0.2869 0.3109 ( 8379 PWs) bands (ev): -20.2041 -20.2041 -20.1778 -20.1778 -19.5952 -19.5952 -19.3384 -19.3384 -9.5220 -9.5220 -6.8658 -6.8658 -6.8359 -6.8359 -6.4622 -6.4622 -6.0282 -6.0282 -4.9611 -4.9611 -4.8824 -4.8824 -4.8471 -4.8471 -4.7353 -4.7353 -4.7148 -4.7148 -4.2417 -4.2417 -4.0950 -4.0950 -3.7181 -3.7181 -1.0909 -1.0909 -0.8479 -0.8479 4.8879 4.8879 5.3571 5.3571 6.0417 6.0417 6.2282 6.2282 6.5376 6.5376 6.5672 6.5672 6.7671 6.7671 7.1452 7.1452 7.3594 7.3594 9.0601 9.0601 9.2363 9.2363 9.5352 9.5352 9.6690 9.6690 9.9687 9.9687 9.9907 9.9907 k =-0.1119 0.2678 0.2902 ( 8375 PWs) bands (ev): -20.2049 -20.2049 -20.1775 -20.1775 -19.6012 -19.6012 -19.3327 -19.3327 -9.4998 -9.4998 -6.8651 -6.8651 -6.8350 -6.8350 -6.4786 -6.4786 -6.0300 -6.0300 -4.9630 -4.9630 -4.8830 -4.8830 -4.8497 -4.8497 -4.7386 -4.7386 -4.7258 -4.7258 -4.2440 -4.2440 -4.0910 -4.0910 -3.7159 -3.7159 -1.1113 -1.1113 -0.8470 -0.8470 4.9023 4.9023 5.4493 5.4493 6.0276 6.0276 6.2317 6.2317 6.5792 6.5792 6.5948 6.5948 6.7832 6.7832 7.1745 7.1745 7.3915 7.3915 8.9956 8.9956 9.2387 9.2387 9.5075 9.5075 9.5774 9.5774 9.9096 9.9096 9.9353 9.9353 k =-0.1039 0.2486 0.2695 ( 8369 PWs) bands (ev): -20.2057 -20.2057 -20.1771 -20.1771 -19.6069 -19.6069 -19.3273 -19.3273 -9.4776 -9.4776 -6.8643 -6.8643 -6.8342 -6.8342 -6.4953 -6.4953 -6.0316 -6.0316 -4.9676 -4.9676 -4.8839 -4.8839 -4.8521 -4.8521 -4.7483 -4.7483 -4.7278 -4.7278 -4.2465 -4.2465 -4.0876 -4.0876 -3.7121 -3.7121 -1.1315 -1.1315 -0.8462 -0.8462 4.9165 4.9165 5.5410 5.5410 6.0076 6.0076 6.2353 6.2353 6.6002 6.6002 6.6535 6.6535 6.7992 6.7992 7.2042 7.2042 7.4214 7.4214 8.9367 8.9367 9.2441 9.2441 9.4722 9.4722 9.4937 9.4937 9.8448 9.8448 9.8966 9.8966 k =-0.0959 0.2295 0.2488 ( 8377 PWs) bands (ev): -20.2064 -20.2064 -20.1768 -20.1768 -19.6122 -19.6122 -19.3223 -19.3223 -9.4555 -9.4555 -6.8634 -6.8634 -6.8336 -6.8336 -6.5121 -6.5121 -6.0333 -6.0333 -4.9753 -4.9753 -4.8843 -4.8843 -4.8541 -4.8541 -4.7582 -4.7582 -4.7269 -4.7269 -4.2491 -4.2491 -4.0846 -4.0846 -3.7070 -3.7070 -1.1512 -1.1512 -0.8454 -0.8454 4.9304 4.9304 5.6311 5.6311 5.9840 5.9840 6.2394 6.2394 6.6198 6.6198 6.7210 6.7210 6.8152 6.8152 7.2341 7.2341 7.4481 7.4481 8.8841 8.8841 9.2523 9.2523 9.4002 9.4002 9.4479 9.4479 9.7821 9.7821 9.8662 9.8662 k =-0.0880 0.2104 0.2280 ( 8397 PWs) bands (ev): -20.2071 -20.2071 -20.1765 -20.1765 -19.6171 -19.6171 -19.3177 -19.3177 -9.4338 -9.4338 -6.8625 -6.8625 -6.8331 -6.8331 -6.5288 -6.5288 -6.0348 -6.0348 -4.9860 -4.9860 -4.8840 -4.8840 -4.8555 -4.8555 -4.7665 -4.7665 -4.7253 -4.7253 -4.2518 -4.2518 -4.0819 -4.0819 -3.7009 -3.7009 -1.1701 -1.1701 -0.8446 -0.8446 4.9438 4.9438 5.7187 5.7187 5.9588 5.9588 6.2440 6.2440 6.6399 6.6399 6.7912 6.7912 6.8331 6.8331 7.2639 7.2639 7.4710 7.4710 8.8384 8.8384 9.2630 9.2630 9.3207 9.3207 9.4122 9.4122 9.7231 9.7231 9.8408 9.8408 k =-0.0800 0.1913 0.2073 ( 8383 PWs) bands (ev): -20.2077 -20.2077 -20.1762 -20.1762 -19.6216 -19.6216 -19.3134 -19.3134 -9.4129 -9.4129 -6.8614 -6.8614 -6.8328 -6.8328 -6.5451 -6.5451 -6.0363 -6.0363 -4.9992 -4.9992 -4.8827 -4.8827 -4.8566 -4.8566 -4.7732 -4.7732 -4.7236 -4.7236 -4.2545 -4.2545 -4.0795 -4.0795 -3.6943 -3.6943 -1.1882 -1.1882 -0.8439 -0.8439 4.9567 4.9567 5.8021 5.8021 5.9340 5.9340 6.2490 6.2490 6.6606 6.6606 6.8375 6.8375 6.8776 6.8776 7.2932 7.2932 7.4897 7.4897 8.7998 8.7998 9.2451 9.2451 9.2759 9.2759 9.3768 9.3768 9.6684 9.6684 9.8162 9.8162 k =-0.0720 0.1721 0.1866 ( 8381 PWs) bands (ev): -20.2083 -20.2083 -20.1760 -20.1760 -19.6257 -19.6257 -19.3095 -19.3095 -9.3929 -9.3929 -6.8602 -6.8602 -6.8327 -6.8327 -6.5608 -6.5608 -6.0377 -6.0377 -5.0138 -5.0138 -4.8804 -4.8804 -4.8573 -4.8573 -4.7788 -4.7788 -4.7218 -4.7218 -4.2570 -4.2570 -4.0772 -4.0772 -3.6874 -3.6874 -1.2052 -1.2052 -0.8433 -0.8433 4.9689 4.9689 5.8734 5.8734 5.9175 5.9175 6.2542 6.2542 6.6815 6.6815 6.8551 6.8551 6.9518 6.9518 7.3218 7.3218 7.5039 7.5039 8.7685 8.7685 9.1745 9.1745 9.2903 9.2903 9.3419 9.3419 9.6184 9.6184 9.7817 9.7817 k =-0.0640 0.1530 0.1658 ( 8377 PWs) bands (ev): -20.2088 -20.2088 -20.1758 -20.1758 -19.6295 -19.6295 -19.3060 -19.3060 -9.3741 -9.3741 -6.8590 -6.8590 -6.8327 -6.8327 -6.5758 -6.5758 -6.0390 -6.0390 -5.0288 -5.0288 -4.8776 -4.8776 -4.8578 -4.8578 -4.7836 -4.7836 -4.7199 -4.7199 -4.2594 -4.2594 -4.0752 -4.0752 -3.6804 -3.6804 -1.2210 -1.2210 -0.8427 -0.8427 4.9802 4.9802 5.8763 5.8763 5.9655 5.9655 6.2594 6.2594 6.7021 6.7021 6.8699 6.8699 7.0278 7.0278 7.3495 7.3495 7.5141 7.5141 8.7443 8.7443 9.1094 9.1094 9.3054 9.3054 9.3087 9.3087 9.5733 9.5733 9.7150 9.7150 k =-0.0560 0.1339 0.1451 ( 8385 PWs) bands (ev): -20.2093 -20.2093 -20.1756 -20.1756 -19.6328 -19.6328 -19.3029 -19.3029 -9.3567 -9.3567 -6.8577 -6.8577 -6.8329 -6.8329 -6.5898 -6.5898 -6.0401 -6.0401 -5.0436 -5.0436 -4.8742 -4.8742 -4.8582 -4.8582 -4.7877 -4.7877 -4.7182 -4.7182 -4.2616 -4.2616 -4.0733 -4.0733 -3.6738 -3.6738 -1.2353 -1.2353 -0.8422 -0.8422 4.9906 4.9906 5.8560 5.8560 6.0321 6.0321 6.2645 6.2645 6.7221 6.7221 6.8842 6.8842 7.1009 7.1009 7.3764 7.3764 7.5210 7.5210 8.7268 8.7268 9.0501 9.0501 9.2761 9.2761 9.3219 9.3219 9.5332 9.5332 9.6207 9.6207 k =-0.0480 0.1148 0.1244 ( 8389 PWs) bands (ev): -20.2097 -20.2097 -20.1754 -20.1754 -19.6357 -19.6357 -19.3002 -19.3002 -9.3411 -9.3411 -6.8564 -6.8564 -6.8332 -6.8332 -6.6025 -6.6025 -6.0412 -6.0412 -5.0574 -5.0574 -4.8708 -4.8708 -4.8585 -4.8585 -4.7914 -4.7914 -4.7166 -4.7166 -4.2636 -4.2636 -4.0715 -4.0715 -3.6676 -3.6676 -1.2481 -1.2481 -0.8417 -0.8417 4.9998 4.9998 5.8365 5.8365 6.0930 6.0930 6.2695 6.2695 6.7407 6.7407 6.8983 6.8983 7.1673 7.1673 7.4033 7.4033 7.5261 7.5261 8.7150 8.7150 8.9972 8.9972 9.2455 9.2455 9.3374 9.3374 9.4976 9.4976 9.5232 9.5232 k =-0.0400 0.0956 0.1036 ( 8389 PWs) bands (ev): -20.2101 -20.2101 -20.1753 -20.1753 -19.6381 -19.6381 -19.2979 -19.2979 -9.3274 -9.3274 -6.8551 -6.8551 -6.8337 -6.8337 -6.6137 -6.6137 -6.0421 -6.0421 -5.0698 -5.0698 -4.8673 -4.8673 -4.8587 -4.8587 -4.7946 -4.7946 -4.7152 -4.7152 -4.2652 -4.2652 -4.0700 -4.0700 -3.6620 -3.6620 -1.2591 -1.2591 -0.8413 -0.8413 5.0079 5.0079 5.8191 5.8191 6.1460 6.1460 6.2745 6.2745 6.7573 6.7573 6.9121 6.9121 7.2223 7.2223 7.4322 7.4322 7.5305 7.5305 8.7079 8.7079 8.9513 8.9513 9.2156 9.2156 9.3516 9.3516 9.4297 9.4297 9.4714 9.4714 k =-0.0320 0.0765 0.0829 ( 8399 PWs) bands (ev): -20.2104 -20.2104 -20.1752 -20.1752 -19.6402 -19.6402 -19.2960 -19.2960 -9.3159 -9.3159 -6.8539 -6.8539 -6.8343 -6.8343 -6.6233 -6.6233 -6.0428 -6.0428 -5.0803 -5.0803 -4.8642 -4.8642 -4.8587 -4.8587 -4.7975 -4.7975 -4.7140 -4.7140 -4.2666 -4.2666 -4.0687 -4.0687 -3.6573 -3.6573 -1.2684 -1.2684 -0.8410 -0.8410 5.0146 5.0146 5.8045 5.8045 6.1897 6.1897 6.2798 6.2798 6.7714 6.7714 6.9254 6.9254 7.2615 7.2615 7.4647 7.4647 7.5355 7.5355 8.7043 8.7043 8.9127 8.9127 9.1847 9.1847 9.3523 9.3523 9.3646 9.3646 9.4486 9.4486 k =-0.0240 0.0574 0.0622 ( 8397 PWs) bands (ev): -20.2106 -20.2106 -20.1751 -20.1751 -19.6417 -19.6417 -19.2945 -19.2945 -9.3067 -9.3067 -6.8528 -6.8528 -6.8349 -6.8349 -6.6309 -6.6309 -6.0434 -6.0434 -5.0887 -5.0887 -4.8617 -4.8617 -4.8584 -4.8584 -4.8000 -4.8000 -4.7130 -4.7130 -4.2677 -4.2677 -4.0677 -4.0677 -3.6535 -3.6535 -1.2756 -1.2756 -0.8408 -0.8408 5.0199 5.0199 5.7929 5.7929 6.2225 6.2225 6.2859 6.2859 6.7826 6.7826 6.9374 6.9374 7.2845 7.2845 7.4988 7.4988 7.5413 7.5413 8.7030 8.7030 8.8820 8.8820 9.1514 9.1514 9.2967 9.2967 9.3716 9.3716 9.4332 9.4332 k =-0.0160 0.0383 0.0415 ( 8395 PWs) bands (ev): -20.2108 -20.2108 -20.1750 -20.1750 -19.6429 -19.6429 -19.2935 -19.2935 -9.3000 -9.3000 -6.8518 -6.8518 -6.8354 -6.8354 -6.6364 -6.6364 -6.0439 -6.0439 -5.0949 -5.0949 -4.8605 -4.8605 -4.8574 -4.8574 -4.8019 -4.8019 -4.7123 -4.7123 -4.2685 -4.2685 -4.0669 -4.0669 -3.6507 -3.6507 -1.2809 -1.2809 -0.8406 -0.8406 5.0237 5.0237 5.7845 5.7845 6.2436 6.2436 6.2931 6.2931 6.7906 6.7906 6.9473 6.9473 7.2956 7.2956 7.5271 7.5271 7.5491 7.5491 8.7029 8.7029 8.8597 8.8597 9.1186 9.1186 9.2615 9.2615 9.3748 9.3748 9.4252 9.4252 k =-0.0080 0.0191 0.0207 ( 8411 PWs) bands (ev): -20.2109 -20.2109 -20.1750 -20.1750 -19.6435 -19.6435 -19.2928 -19.2928 -9.2960 -9.2960 -6.8512 -6.8512 -6.8358 -6.8358 -6.6398 -6.6398 -6.0441 -6.0441 -5.0986 -5.0986 -4.8602 -4.8602 -4.8564 -4.8564 -4.8031 -4.8031 -4.7118 -4.7118 -4.2689 -4.2689 -4.0665 -4.0665 -3.6490 -3.6490 -1.2841 -1.2841 -0.8405 -0.8405 5.0261 5.0261 5.7795 5.7795 6.2541 6.2541 6.2998 6.2998 6.7954 6.7954 6.9538 6.9538 7.2999 7.2999 7.5402 7.5402 7.5612 7.5612 8.7032 8.7032 8.8461 8.8461 9.0942 9.0942 9.2432 9.2432 9.3747 9.3747 9.4227 9.4227 k = 0.0000 0.0000 0.0000 ( 8419 PWs) bands (ev): -20.2109 -20.2109 -20.1750 -20.1750 -19.6438 -19.6438 -19.2926 -19.2926 -9.2946 -9.2946 -6.8510 -6.8510 -6.8359 -6.8359 -6.6410 -6.6410 -6.0442 -6.0442 -5.0999 -5.0999 -4.8601 -4.8601 -4.8559 -4.8559 -4.8036 -4.8036 -4.7117 -4.7117 -4.2691 -4.2691 -4.0663 -4.0663 -3.6484 -3.6484 -1.2852 -1.2852 -0.8404 -0.8404 5.0268 5.0268 5.7778 5.7778 6.2571 6.2571 6.3025 6.3025 6.7971 6.7971 6.9561 6.9561 7.3009 7.3009 7.5429 7.5429 7.5675 7.5675 8.7034 8.7034 8.8416 8.8416 9.0852 9.0852 9.2377 9.2377 9.3742 9.3742 9.4223 9.4223 k = 0.0000 0.0000 0.0000 ( 8419 PWs) bands (ev): -20.2109 -20.2109 -20.1750 -20.1750 -19.6438 -19.6438 -19.2926 -19.2926 -9.2946 -9.2946 -6.8510 -6.8510 -6.8359 -6.8359 -6.6410 -6.6410 -6.0442 -6.0442 -5.0999 -5.0999 -4.8601 -4.8601 -4.8559 -4.8559 -4.8036 -4.8036 -4.7117 -4.7117 -4.2691 -4.2691 -4.0663 -4.0663 -3.6484 -3.6484 -1.2852 -1.2852 -0.8404 -0.8404 5.0268 5.0268 5.7778 5.7778 6.2571 6.2571 6.3025 6.3025 6.7971 6.7971 6.9561 6.9561 7.3009 7.3009 7.5429 7.5429 7.5675 7.5675 8.7034 8.7034 8.8416 8.8416 9.0852 9.0852 9.2377 9.2377 9.3742 9.3742 9.4223 9.4223 k = 0.0263 0.0110 0.0000 ( 8403 PWs) bands (ev): -20.2109 -20.2109 -20.1750 -20.1750 -19.6438 -19.6438 -19.2926 -19.2926 -9.2946 -9.2946 -6.8534 -6.8534 -6.8334 -6.8334 -6.6410 -6.6410 -6.0443 -6.0443 -5.1000 -5.1000 -4.8601 -4.8601 -4.8559 -4.8559 -4.8032 -4.8032 -4.7116 -4.7116 -4.2691 -4.2691 -4.0669 -4.0669 -3.6484 -3.6484 -1.2844 -1.2844 -0.8406 -0.8406 5.0258 5.0258 5.7805 5.7805 6.2571 6.2571 6.3025 6.3025 6.7955 6.7955 6.9543 6.9543 7.2990 7.2990 7.5399 7.5399 7.5692 7.5692 8.6968 8.6968 8.8419 8.8419 9.0907 9.0907 9.2468 9.2468 9.3780 9.3780 9.4259 9.4259 k = 0.0526 0.0220 0.0000 ( 8419 PWs) bands (ev): -20.2108 -20.2108 -20.1751 -20.1751 -19.6438 -19.6438 -19.2926 -19.2926 -9.2946 -9.2946 -6.8585 -6.8585 -6.8280 -6.8280 -6.6410 -6.6410 -6.0445 -6.0445 -5.1005 -5.1005 -4.8602 -4.8602 -4.8559 -4.8559 -4.8020 -4.8020 -4.7115 -4.7115 -4.2692 -4.2692 -4.0687 -4.0687 -3.6485 -3.6485 -1.2821 -1.2821 -0.8411 -0.8411 5.0229 5.0229 5.7884 5.7884 6.2570 6.2570 6.3024 6.3024 6.7911 6.7911 6.9490 6.9490 7.2928 7.2928 7.5318 7.5318 7.5740 7.5740 8.6782 8.6782 8.8428 8.8428 9.1068 9.1068 9.2730 9.2730 9.3892 9.3892 9.4368 9.4368 k = 0.0789 0.0330 0.0000 ( 8387 PWs) bands (ev): -20.2106 -20.2106 -20.1753 -20.1753 -19.6437 -19.6437 -19.2926 -19.2926 -9.2946 -9.2946 -6.8641 -6.8641 -6.8219 -6.8219 -6.6410 -6.6410 -6.0448 -6.0448 -5.1013 -5.1013 -4.8602 -4.8602 -4.8559 -4.8559 -4.8001 -4.8001 -4.7113 -4.7113 -4.2694 -4.2694 -4.0717 -4.0717 -3.6485 -3.6485 -1.2784 -1.2784 -0.8420 -0.8420 5.0185 5.0185 5.8009 5.8009 6.2570 6.2570 6.3022 6.3022 6.7840 6.7840 6.9405 6.9405 7.2811 7.2811 7.5210 7.5210 7.5818 7.5818 8.6508 8.6508 8.8442 8.8442 9.1320 9.1320 9.3129 9.3129 9.4079 9.4079 9.4550 9.4550 k = 0.1053 0.0440 0.0000 ( 8391 PWs) bands (ev): -20.2104 -20.2104 -20.1756 -20.1756 -19.6437 -19.6437 -19.2926 -19.2926 -9.2945 -9.2945 -6.8698 -6.8698 -6.8155 -6.8155 -6.6410 -6.6410 -6.0453 -6.0453 -5.1023 -5.1023 -4.8603 -4.8603 -4.8559 -4.8559 -4.7975 -4.7975 -4.7110 -4.7110 -4.2696 -4.2696 -4.0758 -4.0758 -3.6486 -3.6486 -1.2732 -1.2732 -0.8432 -0.8432 5.0130 5.0130 5.8171 5.8171 6.2570 6.2570 6.3020 6.3020 6.7746 6.7746 6.9293 6.9293 7.2625 7.2625 7.5107 7.5107 7.5921 7.5921 8.6179 8.6179 8.8461 8.8461 9.1645 9.1645 9.3632 9.3632 9.4339 9.4339 9.4802 9.4802 k = 0.1316 0.0550 0.0000 ( 8404 PWs) bands (ev): -20.2100 -20.2100 -20.1759 -20.1759 -19.6437 -19.6437 -19.2926 -19.2926 -9.2944 -9.2944 -6.8754 -6.8754 -6.8090 -6.8090 -6.6411 -6.6411 -6.0458 -6.0458 -5.1035 -5.1035 -4.8604 -4.8604 -4.8559 -4.8559 -4.7943 -4.7943 -4.7107 -4.7107 -4.2698 -4.2698 -4.0808 -4.0808 -3.6487 -3.6487 -1.2667 -1.2667 -0.8449 -0.8449 5.0071 5.0071 5.8359 5.8359 6.2570 6.2570 6.3017 6.3017 6.7632 6.7632 6.9160 6.9160 7.2363 7.2363 7.5034 7.5034 7.6043 7.6043 8.5822 8.5822 8.8484 8.8484 9.2016 9.2016 9.4210 9.4210 9.4671 9.4671 9.5124 9.5124 k = 0.1579 0.0660 0.0000 ( 8408 PWs) bands (ev): -20.2097 -20.2097 -20.1763 -20.1763 -19.6437 -19.6437 -19.2926 -19.2926 -9.2943 -9.2943 -6.8808 -6.8808 -6.8026 -6.8026 -6.6411 -6.6411 -6.0465 -6.0465 -5.1049 -5.1049 -4.8605 -4.8605 -4.8559 -4.8559 -4.7906 -4.7906 -4.7102 -4.7102 -4.2701 -4.2701 -4.0867 -4.0867 -3.6488 -3.6488 -1.2591 -1.2591 -0.8469 -0.8469 5.0013 5.0013 5.8559 5.8559 6.2569 6.2569 6.3013 6.3013 6.7506 6.7506 6.9012 6.9012 7.2037 7.2037 7.5003 7.5003 7.6179 7.6179 8.5456 8.5456 8.8511 8.8511 9.2403 9.2403 9.4840 9.4840 9.5071 9.5071 9.5514 9.5514 k = 0.1842 0.0770 0.0000 ( 8400 PWs) bands (ev): -20.2092 -20.2092 -20.1768 -20.1768 -19.6437 -19.6437 -19.2926 -19.2926 -9.2943 -9.2943 -6.8859 -6.8859 -6.7964 -6.7964 -6.6412 -6.6412 -6.0472 -6.0472 -5.1065 -5.1065 -4.8607 -4.8607 -4.8559 -4.8559 -4.7864 -4.7864 -4.7098 -4.7098 -4.2704 -4.2704 -4.0933 -4.0933 -3.6489 -3.6489 -1.2504 -1.2504 -0.8494 -0.8494 4.9963 4.9963 5.8758 5.8758 6.2569 6.2569 6.3009 6.3009 6.7371 6.7371 6.8853 6.8853 7.1670 7.1670 7.5012 7.5012 7.6324 7.6324 8.5094 8.5094 8.8542 8.8542 9.2767 9.2767 9.5505 9.5505 9.5536 9.5536 9.5969 9.5969 k = 0.2105 0.0880 0.0000 ( 8384 PWs) bands (ev): -20.2088 -20.2088 -20.1773 -20.1773 -19.6437 -19.6437 -19.2926 -19.2926 -9.2941 -9.2941 -6.8907 -6.8907 -6.7904 -6.7904 -6.6412 -6.6412 -6.0480 -6.0480 -5.1081 -5.1081 -4.8608 -4.8608 -4.8560 -4.8560 -4.7818 -4.7818 -4.7093 -4.7093 -4.2708 -4.2708 -4.1005 -4.1005 -3.6490 -3.6490 -1.2408 -1.2408 -0.8523 -0.8523 4.9924 4.9924 5.8941 5.8941 6.2569 6.2569 6.3005 6.3005 6.7232 6.7232 6.8690 6.8690 7.1289 7.1289 7.5050 7.5050 7.6472 7.6472 8.4745 8.4745 8.8575 8.8575 9.3055 9.3055 9.6054 9.6054 9.6192 9.6192 9.6488 9.6488 k = 0.2368 0.0990 0.0000 ( 8376 PWs) bands (ev): -20.2083 -20.2083 -20.1778 -20.1778 -19.6436 -19.6436 -19.2926 -19.2926 -9.2940 -9.2940 -6.8952 -6.8952 -6.7846 -6.7846 -6.6413 -6.6413 -6.0488 -6.0488 -5.1098 -5.1098 -4.8609 -4.8609 -4.8560 -4.8560 -4.7770 -4.7770 -4.7088 -4.7088 -4.2711 -4.2711 -4.1081 -4.1081 -3.6491 -3.6491 -1.2305 -1.2305 -0.8556 -0.8556 4.9899 4.9899 5.9095 5.9095 6.2569 6.2569 6.3000 6.3000 6.7096 6.7096 6.8527 6.8527 7.0921 7.0921 7.5108 7.5108 7.6619 7.6619 8.4415 8.4415 8.8610 8.8610 9.3198 9.3198 9.6392 9.6392 9.6708 9.6708 9.6890 9.6890 k = 0.2632 0.1100 0.0000 ( 8352 PWs) bands (ev): -20.2077 -20.2077 -20.1783 -20.1783 -19.6436 -19.6436 -19.2926 -19.2926 -9.2939 -9.2939 -6.8993 -6.8993 -6.7792 -6.7792 -6.6413 -6.6413 -6.0496 -6.0496 -5.1115 -5.1115 -4.8610 -4.8610 -4.8560 -4.8560 -4.7721 -4.7721 -4.7082 -4.7082 -4.2715 -4.2715 -4.1158 -4.1158 -3.6492 -3.6492 -1.2198 -1.2198 -0.8593 -0.8593 4.9890 4.9890 5.9210 5.9210 6.2569 6.2569 6.2995 6.2995 6.6965 6.6965 6.8368 6.8368 7.0587 7.0587 7.5178 7.5178 7.6762 7.6762 8.4109 8.4109 8.8646 8.8646 9.3147 9.3147 9.6473 9.6473 9.7327 9.7327 9.7585 9.7586 k = 0.2895 0.1210 0.0000 ( 8356 PWs) bands (ev): -20.2072 -20.2072 -20.1789 -20.1789 -19.6436 -19.6436 -19.2926 -19.2926 -9.2938 -9.2938 -6.9030 -6.9030 -6.7742 -6.7742 -6.6414 -6.6414 -6.0505 -6.0505 -5.1132 -5.1132 -4.8611 -4.8611 -4.8560 -4.8560 -4.7672 -4.7672 -4.7077 -4.7077 -4.2719 -4.2719 -4.1235 -4.1235 -3.6494 -3.6494 -1.2089 -1.2089 -0.8634 -0.8634 4.9898 4.9898 5.9279 5.9279 6.2569 6.2569 6.2991 6.2991 6.6843 6.6843 6.8217 6.8217 7.0303 7.0303 7.5253 7.5253 7.6897 7.6897 8.3830 8.3830 8.8682 8.8682 9.2919 9.2919 9.6704 9.6704 9.8020 9.8020 9.8269 9.8269 k = 0.3158 0.1320 0.0000 ( 8336 PWs) bands (ev): -20.2067 -20.2067 -20.1795 -20.1795 -19.6436 -19.6436 -19.2926 -19.2926 -9.2937 -9.2937 -6.9063 -6.9063 -6.7696 -6.7696 -6.6414 -6.6414 -6.0513 -6.0513 -5.1147 -5.1147 -4.8612 -4.8612 -4.8560 -4.8560 -4.7625 -4.7625 -4.7072 -4.7072 -4.2722 -4.2722 -4.1310 -4.1310 -3.6495 -3.6495 -1.1980 -1.1980 -0.8676 -0.8676 4.9920 4.9920 5.9300 5.9300 6.2569 6.2569 6.2987 6.2987 6.6733 6.6733 6.8078 6.8078 7.0077 7.0077 7.5327 7.5327 7.7022 7.7022 8.3579 8.3579 8.8716 8.8716 9.2583 9.2583 9.7046 9.7046 9.8760 9.8760 9.8928 9.8928 k = 0.3421 0.1430 0.0000 ( 8340 PWs) bands (ev): -20.2061 -20.2061 -20.1800 -20.1800 -19.6435 -19.6435 -19.2926 -19.2926 -9.2936 -9.2936 -6.9092 -6.9092 -6.7655 -6.7655 -6.6415 -6.6415 -6.0520 -6.0520 -5.1162 -5.1162 -4.8613 -4.8613 -4.8560 -4.8560 -4.7580 -4.7580 -4.7067 -4.7067 -4.2725 -4.2725 -4.1380 -4.1380 -3.6496 -3.6496 -1.1875 -1.1875 -0.8720 -0.8720 4.9955 4.9955 5.9277 5.9277 6.2569 6.2569 6.2983 6.2983 6.6635 6.6635 6.7952 6.7952 6.9911 6.9911 7.5398 7.5398 7.7135 7.7135 8.3359 8.3359 8.8749 8.8749 9.2203 9.2203 9.7441 9.7441 9.9540 9.9540 9.9546 9.9546 k = 0.3684 0.1540 0.0000 ( 8356 PWs) bands (ev): -20.2056 -20.2056 -20.1805 -20.1805 -19.6435 -19.6435 -19.2926 -19.2926 -9.2936 -9.2936 -6.9117 -6.9117 -6.7620 -6.7620 -6.6415 -6.6415 -6.0527 -6.0527 -5.1174 -5.1174 -4.8614 -4.8614 -4.8560 -4.8560 -4.7539 -4.7539 -4.7063 -4.7063 -4.2728 -4.2728 -4.1443 -4.1443 -3.6497 -3.6497 -1.1778 -1.1778 -0.8763 -0.8763 4.9998 4.9998 5.9220 5.9220 6.2569 6.2569 6.2979 6.2979 6.6551 6.6551 6.7842 6.7842 6.9799 6.9799 7.5462 7.5462 7.7233 7.7233 8.3172 8.3172 8.8778 8.8778 9.1827 9.1827 9.7845 9.7845 10.0109 10.0109 10.0350 10.0350 k = 0.3947 0.1650 0.0000 ( 8336 PWs) bands (ev): -20.2052 -20.2052 -20.1810 -20.1810 -19.6435 -19.6435 -19.2926 -19.2926 -9.2935 -9.2935 -6.9138 -6.9138 -6.7590 -6.7590 -6.6416 -6.6416 -6.0533 -6.0533 -5.1185 -5.1185 -4.8614 -4.8614 -4.8560 -4.8560 -4.7503 -4.7503 -4.7060 -4.7060 -4.2731 -4.2731 -4.1498 -4.1498 -3.6497 -3.6497 -1.1691 -1.1691 -0.8803 -0.8803 5.0045 5.0045 5.9143 5.9143 6.2569 6.2569 6.2977 6.2977 6.6482 6.6482 6.7750 6.7750 6.9733 6.9733 7.5517 7.5517 7.7315 7.7315 8.3017 8.3017 8.8803 8.8803 9.1486 9.1486 9.8227 9.8227 10.0599 10.0599 10.1176 10.1176 k = 0.4211 0.1760 0.0000 ( 8336 PWs) bands (ev): -20.2048 -20.2048 -20.1814 -20.1814 -19.6435 -19.6435 -19.2926 -19.2926 -9.2934 -9.2934 -6.9154 -6.9154 -6.7567 -6.7567 -6.6416 -6.6416 -6.0538 -6.0538 -5.1194 -5.1194 -4.8615 -4.8615 -4.8560 -4.8560 -4.7475 -4.7475 -4.7057 -4.7057 -4.2733 -4.2733 -4.1543 -4.1543 -3.6498 -3.6498 -1.1619 -1.1619 -0.8838 -0.8838 5.0089 5.0089 5.9061 5.9061 6.2569 6.2569 6.2975 6.2975 6.6426 6.6426 6.7677 6.7677 6.9699 6.9699 7.5561 7.5561 7.7380 7.7380 8.2896 8.2896 8.8824 8.8824 9.1200 9.1200 9.8560 9.8560 10.1002 10.1002 10.1995 10.1995 k = 0.4474 0.1870 0.0000 ( 8336 PWs) bands (ev): -20.2046 -20.2046 -20.1817 -20.1817 -19.6435 -19.6435 -19.2926 -19.2926 -9.2934 -9.2934 -6.9165 -6.9165 -6.7550 -6.7550 -6.6416 -6.6416 -6.0541 -6.0541 -5.1200 -5.1200 -4.8615 -4.8615 -4.8560 -4.8560 -4.7453 -4.7453 -4.7055 -4.7055 -4.2734 -4.2734 -4.1576 -4.1576 -3.6499 -3.6499 -1.1564 -1.1564 -0.8865 -0.8865 5.0126 5.0126 5.8990 5.8990 6.2570 6.2570 6.2974 6.2974 6.6386 6.6386 6.7624 6.7624 6.9686 6.9686 7.5594 7.5594 7.7428 7.7428 8.2809 8.2809 8.8839 8.8839 9.0985 9.0985 9.8819 9.8819 10.1303 10.1303 10.2760 10.2760 k = 0.4737 0.1980 0.0000 ( 8352 PWs) bands (ev): -20.2044 -20.2044 -20.1818 -20.1818 -19.6435 -19.6435 -19.2926 -19.2926 -9.2934 -9.2934 -6.9172 -6.9172 -6.7540 -6.7540 -6.6416 -6.6416 -6.0543 -6.0543 -5.1204 -5.1204 -4.8615 -4.8615 -4.8560 -4.8560 -4.7440 -4.7440 -4.7053 -4.7053 -4.2735 -4.2735 -4.1596 -4.1596 -3.6499 -3.6499 -1.1530 -1.1530 -0.8882 -0.8882 5.0150 5.0150 5.8942 5.8942 6.2570 6.2570 6.2973 6.2973 6.6362 6.6362 6.7592 6.7592 6.9683 6.9683 7.5614 7.5614 7.7456 7.7456 8.2757 8.2757 8.8849 8.8849 9.0853 9.0853 9.8984 9.8984 10.1488 10.1488 10.3364 10.3364 k = 0.5000 0.2090 0.0000 ( 8360 PWs) bands (ev): -20.2043 -20.2043 -20.1819 -20.1819 -19.6435 -19.6435 -19.2926 -19.2926 -9.2934 -9.2934 -6.9175 -6.9175 -6.7536 -6.7536 -6.6416 -6.6416 -6.0544 -6.0544 -5.1205 -5.1205 -4.8615 -4.8615 -4.8560 -4.8560 -4.7436 -4.7436 -4.7053 -4.7053 -4.2736 -4.2736 -4.1603 -4.1603 -3.6499 -3.6499 -1.1518 -1.1518 -0.8888 -0.8888 5.0159 5.0159 5.8925 5.8925 6.2570 6.2570 6.2972 6.2972 6.6354 6.6354 6.7581 6.7581 6.9683 6.9683 7.5620 7.5620 7.7466 7.7466 8.2739 8.2739 8.8852 8.8852 9.0808 9.0808 9.9041 9.9041 10.1551 10.1551 10.3612 10.3612 k = 0.5000 0.2090 0.0000 ( 8360 PWs) bands (ev): -20.2043 -20.2043 -20.1819 -20.1819 -19.6435 -19.6435 -19.2926 -19.2926 -9.2934 -9.2934 -6.9175 -6.9175 -6.7536 -6.7536 -6.6416 -6.6416 -6.0544 -6.0544 -5.1205 -5.1205 -4.8615 -4.8615 -4.8560 -4.8560 -4.7436 -4.7436 -4.7053 -4.7053 -4.2736 -4.2736 -4.1603 -4.1603 -3.6499 -3.6499 -1.1518 -1.1518 -0.8888 -0.8888 5.0159 5.0159 5.8925 5.8925 6.2570 6.2570 6.2972 6.2972 6.6354 6.6354 6.7581 6.7581 6.9683 6.9683 7.5620 7.5620 7.7466 7.7466 8.2739 8.2739 8.8852 8.8852 9.0808 9.0808 9.9041 9.9041 10.1551 10.1551 10.3612 10.3612 k = 0.4919 0.2285 0.0211 ( 8352 PWs) bands (ev): -20.2043 -20.2043 -20.1819 -20.1819 -19.6432 -19.6432 -19.2928 -19.2928 -9.2948 -9.2948 -6.9174 -6.9174 -6.7539 -6.7539 -6.6404 -6.6404 -6.0543 -6.0543 -5.1193 -5.1193 -4.8613 -4.8613 -4.8563 -4.8563 -4.7434 -4.7434 -4.7057 -4.7057 -4.2734 -4.2734 -4.1602 -4.1602 -3.6505 -3.6505 -1.1510 -1.1510 -0.8887 -0.8887 5.0148 5.0148 5.8941 5.8941 6.2538 6.2538 6.2944 6.2944 6.6300 6.6300 6.7497 6.7497 6.9827 6.9827 7.5550 7.5550 7.7379 7.7379 8.2839 8.2839 8.8899 8.8899 9.0842 9.0842 9.9014 9.9014 10.1548 10.1548 10.3608 10.3608 k = 0.4837 0.2480 0.0423 ( 8340 PWs) bands (ev): -20.2042 -20.2042 -20.1819 -20.1819 -19.6425 -19.6425 -19.2935 -19.2935 -9.2990 -9.2990 -6.9172 -6.9172 -6.7546 -6.7546 -6.6367 -6.6367 -6.0540 -6.0540 -5.1158 -5.1158 -4.8605 -4.8605 -4.8572 -4.8572 -4.7429 -4.7429 -4.7068 -4.7068 -4.2728 -4.2728 -4.1599 -4.1599 -3.6521 -3.6521 -1.1484 -1.1484 -0.8885 -0.8885 5.0116 5.0116 5.8991 5.8991 6.2426 6.2426 6.2876 6.2876 6.6131 6.6131 6.7320 6.7320 7.0192 7.0192 7.5333 7.5333 7.7151 7.7151 8.3114 8.3114 8.9040 8.9040 9.0941 9.0941 9.8934 9.8934 10.1548 10.1548 10.3595 10.3595 k = 0.4756 0.2675 0.0634 ( 8340 PWs) bands (ev): -20.2041 -20.2041 -20.1819 -20.1819 -19.6414 -19.6414 -19.2946 -19.2946 -9.3059 -9.3059 -6.9168 -6.9168 -6.7558 -6.7558 -6.6307 -6.6307 -6.0534 -6.0534 -5.1101 -5.1101 -4.8592 -4.8592 -4.8587 -4.8587 -4.7422 -4.7422 -4.7087 -4.7087 -4.2718 -4.2718 -4.1594 -4.1594 -3.6549 -3.6549 -1.1442 -1.1442 -0.8881 -0.8881 5.0064 5.0064 5.9073 5.9073 6.2198 6.2198 6.2807 6.2807 6.5850 6.5850 6.7152 6.7152 7.0669 7.0669 7.4960 7.4960 7.6852 7.6852 8.3513 8.3513 8.9271 8.9271 9.1101 9.1101 9.8802 9.8802 10.1570 10.1570 10.3566 10.3566 k = 0.4674 0.2870 0.0845 ( 8336 PWs) bands (ev): -20.2039 -20.2039 -20.1819 -20.1819 -19.6397 -19.6397 -19.2961 -19.2961 -9.3154 -9.3154 -6.9162 -6.9162 -6.7574 -6.7574 -6.6225 -6.6225 -6.0526 -6.0526 -5.1023 -5.1023 -4.8608 -4.8608 -4.8571 -4.8571 -4.7413 -4.7413 -4.7112 -4.7112 -4.2706 -4.2706 -4.1587 -4.1587 -3.6587 -3.6587 -1.1383 -1.1383 -0.8875 -0.8875 4.9993 4.9993 5.9186 5.9186 6.1848 6.1848 6.2750 6.2750 6.5489 6.5489 6.7019 6.7019 7.1193 7.1193 7.4439 7.4439 7.6538 7.6538 8.3987 8.3987 8.9589 8.9589 9.1311 9.1311 9.8628 9.8628 10.1633 10.1633 10.3483 10.3483 k = 0.4593 0.3065 0.1056 ( 8340 PWs) bands (ev): -20.2037 -20.2037 -20.1820 -20.1820 -19.6377 -19.6377 -19.2981 -19.2981 -9.3274 -9.3274 -6.9156 -6.9156 -6.7592 -6.7592 -6.6123 -6.6123 -6.0517 -6.0517 -5.0927 -5.0927 -4.8633 -4.8633 -4.8543 -4.8543 -4.7402 -4.7402 -4.7142 -4.7142 -4.2691 -4.2691 -4.1576 -4.1576 -3.6633 -3.6633 -1.1309 -1.1309 -0.8868 -0.8868 4.9903 4.9903 5.9329 5.9329 6.1389 6.1389 6.2699 6.2699 6.5091 6.5091 6.6909 6.6909 7.1724 7.1724 7.3803 7.3803 7.6229 7.6229 8.4505 8.4505 8.9989 8.9989 9.1559 9.1559 9.8429 9.8429 10.1745 10.1745 10.3287 10.3287 k = 0.4511 0.3260 0.1268 ( 8346 PWs) bands (ev): -20.2034 -20.2034 -20.1820 -20.1820 -19.6351 -19.6351 -19.3005 -19.3005 -9.3416 -9.3416 -6.9148 -6.9148 -6.7614 -6.7614 -6.6005 -6.6005 -6.0506 -6.0506 -5.0816 -5.0816 -4.8662 -4.8662 -4.8505 -4.8505 -4.7393 -4.7393 -4.7175 -4.7175 -4.2675 -4.2675 -4.1562 -4.1562 -3.6688 -3.6688 -1.1220 -1.1220 -0.8860 -0.8860 4.9797 4.9797 5.9497 5.9497 6.0836 6.0836 6.2648 6.2648 6.4683 6.4683 6.6809 6.6809 7.2196 7.2196 7.3134 7.3134 7.5922 7.5922 8.5049 8.5049 9.0466 9.0466 9.1833 9.1833 9.8227 9.8227 10.1902 10.1902 10.3029 10.3029 k = 0.4430 0.3455 0.1479 ( 8350 PWs) bands (ev): -20.2031 -20.2031 -20.1820 -20.1820 -19.6321 -19.6321 -19.3033 -19.3033 -9.3577 -9.3577 -6.9140 -6.9140 -6.7638 -6.7638 -6.5871 -6.5871 -6.0493 -6.0493 -5.0694 -5.0694 -4.8695 -4.8695 -4.8454 -4.8454 -4.7389 -4.7389 -4.7208 -4.7208 -4.2658 -4.2658 -4.1545 -4.1545 -3.6749 -3.6749 -1.1118 -1.1118 -0.8850 -0.8850 4.9676 4.9676 5.9673 5.9673 6.0216 6.0216 6.2594 6.2594 6.4285 6.4285 6.6710 6.6710 7.2094 7.2094 7.2963 7.2963 7.5615 7.5615 8.5610 8.5610 9.1015 9.1015 9.2121 9.2121 9.8047 9.8047 10.2070 10.2070 10.2799 10.2799 k = 0.4348 0.3650 0.1690 ( 8352 PWs) bands (ev): -20.2027 -20.2027 -20.1821 -20.1821 -19.6287 -19.6287 -19.3065 -19.3065 -9.3757 -9.3757 -6.9130 -6.9130 -6.7664 -6.7664 -6.5726 -6.5726 -6.0478 -6.0478 -5.0567 -5.0567 -4.8730 -4.8730 -4.8389 -4.8389 -4.7394 -4.7394 -4.7235 -4.7235 -4.2641 -4.2641 -4.1524 -4.1524 -3.6814 -3.6814 -1.1004 -1.1004 -0.8839 -0.8839 4.9543 4.9543 5.9430 5.9430 5.9964 5.9964 6.2536 6.2536 6.3906 6.3906 6.6609 6.6609 7.1353 7.1353 7.3359 7.3359 7.5305 7.5305 8.6186 8.6186 9.1629 9.1629 9.2413 9.2413 9.7911 9.7911 10.2115 10.2115 10.2750 10.2750 k = 0.4267 0.3844 0.1901 ( 8352 PWs) bands (ev): -20.2023 -20.2023 -20.1821 -20.1821 -19.6249 -19.6249 -19.3102 -19.3102 -9.3951 -9.3951 -6.9119 -6.9119 -6.7691 -6.7691 -6.5571 -6.5571 -6.0462 -6.0462 -5.0439 -5.0439 -4.8766 -4.8766 -4.8306 -4.8306 -4.7416 -4.7416 -4.7248 -4.7248 -4.2625 -4.2625 -4.1499 -4.1499 -3.6882 -3.6882 -1.0879 -1.0879 -0.8828 -0.8828 4.9399 4.9399 5.8676 5.8676 6.0178 6.0178 6.2473 6.2473 6.3554 6.3554 6.6505 6.6505 7.0540 7.0540 7.3755 7.3755 7.5002 7.5002 8.6775 8.6775 9.2298 9.2298 9.2707 9.2707 9.7839 9.7839 10.1953 10.1953 10.2973 10.2973 k = 0.4185 0.4039 0.2113 ( 8378 PWs) bands (ev): -20.2019 -20.2019 -20.1822 -20.1822 -19.6206 -19.6206 -19.3142 -19.3142 -9.4157 -9.4157 -6.9108 -6.9108 -6.7721 -6.7721 -6.5408 -6.5408 -6.0445 -6.0445 -5.0317 -5.0317 -4.8804 -4.8804 -4.8201 -4.8201 -4.7453 -4.7453 -4.7249 -4.7249 -4.2610 -4.2610 -4.1471 -4.1471 -3.6950 -3.6950 -1.0744 -1.0744 -0.8815 -0.8815 4.9247 4.9247 5.7850 5.7850 6.0423 6.0423 6.2403 6.2403 6.3237 6.3237 6.6397 6.6397 6.9719 6.9719 7.4050 7.4050 7.4746 7.4746 8.7377 8.7377 9.2900 9.2900 9.3116 9.3116 9.7847 9.7847 10.1726 10.1726 10.3307 10.3307 k = 0.4104 0.4234 0.2324 ( 8376 PWs) bands (ev): -20.2014 -20.2014 -20.1823 -20.1823 -19.6159 -19.6159 -19.3186 -19.3186 -9.4372 -9.4372 -6.9096 -6.9096 -6.7752 -6.7752 -6.5240 -6.5240 -6.0427 -6.0427 -5.0206 -5.0206 -4.8842 -4.8842 -4.8073 -4.8073 -4.7500 -4.7500 -4.7242 -4.7242 -4.2598 -4.2598 -4.1441 -4.1441 -3.7014 -3.7014 -1.0602 -1.0602 -0.8802 -0.8802 4.9090 4.9090 5.6979 5.6979 6.0675 6.0675 6.2320 6.2320 6.2963 6.2963 6.6285 6.6285 6.8913 6.8913 7.4069 7.4069 7.4696 7.4696 8.7992 8.7992 9.3199 9.3199 9.3871 9.3871 9.7947 9.7947 10.1496 10.1496 10.3594 10.3594 k = 0.4022 0.4429 0.2535 ( 8372 PWs) bands (ev): -20.2008 -20.2008 -20.1824 -20.1824 -19.6108 -19.6108 -19.3234 -19.3234 -9.4595 -9.4595 -6.9083 -6.9083 -6.7784 -6.7784 -6.5070 -6.5070 -6.0408 -6.0408 -5.0111 -5.0111 -4.8879 -4.8879 -4.7921 -4.7921 -4.7552 -4.7552 -4.7232 -4.7232 -4.2588 -4.2588 -4.1409 -4.1409 -3.7072 -3.7072 -1.0454 -1.0454 -0.8789 -0.8789 4.8929 4.8929 5.6075 5.6075 6.0921 6.0921 6.2213 6.2213 6.2746 6.2746 6.6171 6.6171 6.8137 6.8137 7.3821 7.3821 7.4836 7.4836 8.8617 8.8617 9.3453 9.3453 9.4713 9.4713 9.8149 9.8149 10.1275 10.1275 10.3777 10.3777 k = 0.3941 0.4624 0.2746 ( 8380 PWs) bands (ev): -20.2003 -20.2003 -20.1826 -20.1826 -19.6054 -19.6054 -19.3286 -19.3286 -9.4821 -9.4821 -6.9070 -6.9070 -6.7818 -6.7818 -6.4899 -6.4899 -6.0388 -6.0388 -5.0033 -5.0033 -4.8916 -4.8916 -4.7749 -4.7749 -4.7602 -4.7602 -4.7220 -4.7220 -4.2579 -4.2579 -4.1380 -4.1380 -3.7120 -3.7120 -1.0301 -1.0301 -0.8776 -0.8776 4.8768 4.8768 5.5150 5.5150 6.1146 6.1146 6.2078 6.2078 6.2596 6.2596 6.6051 6.6051 6.7412 6.7412 7.3507 7.3507 7.4967 7.4967 8.9246 8.9246 9.3699 9.3699 9.5608 9.5608 9.8456 9.8456 10.1065 10.1065 10.3974 10.3974 k = 0.3859 0.4819 0.2958 ( 8374 PWs) bands (ev): -20.1997 -20.1997 -20.1827 -20.1827 -19.5996 -19.5996 -19.3342 -19.3342 -9.5048 -9.5048 -6.9056 -6.9056 -6.7853 -6.7853 -6.4729 -6.4729 -6.0367 -6.0367 -4.9973 -4.9973 -4.8951 -4.8951 -4.7676 -4.7676 -4.7534 -4.7534 -4.7208 -4.7208 -4.2573 -4.2573 -4.1354 -4.1354 -3.7154 -3.7154 -1.0145 -1.0145 -0.8762 -0.8762 4.8607 4.8607 5.4212 5.4212 6.1330 6.1330 6.1925 6.1925 6.2500 6.2500 6.5917 6.5917 6.6769 6.6769 7.3177 7.3177 7.5036 7.5036 8.9871 8.9871 9.3952 9.3952 9.6549 9.6549 9.8866 9.8866 10.0865 10.0865 10.4210 10.4210 k = 0.3778 0.5014 0.3169 ( 8376 PWs) bands (ev): -20.1991 -20.1991 -20.1829 -20.1829 -19.5934 -19.5934 -19.3401 -19.3401 -9.5274 -9.5274 -6.9041 -6.9041 -6.7889 -6.7889 -6.4563 -6.4563 -6.0346 -6.0346 -4.9930 -4.9930 -4.8985 -4.8985 -4.7726 -4.7726 -4.7328 -4.7328 -4.7195 -4.7195 -4.2568 -4.2568 -4.1336 -4.1336 -3.7172 -3.7172 -0.9989 -0.9989 -0.8748 -0.8748 4.8449 4.8449 5.3272 5.3272 6.1448 6.1448 6.1785 6.1785 6.2427 6.2427 6.5735 6.5735 6.6274 6.6274 7.2846 7.2846 7.5036 7.5036 9.0481 9.0481 9.4229 9.4229 9.7534 9.7534 9.9376 9.9376 10.0671 10.0671 10.4490 10.4490 k = 0.3696 0.5209 0.3380 ( 8366 PWs) bands (ev): -20.1984 -20.1984 -20.1831 -20.1831 -19.5869 -19.5869 -19.3463 -19.3463 -9.5498 -9.5498 -6.9026 -6.9026 -6.7925 -6.7925 -6.4400 -6.4400 -6.0325 -6.0325 -4.9902 -4.9902 -4.9016 -4.9016 -4.7780 -4.7780 -4.7196 -4.7196 -4.7093 -4.7093 -4.2564 -4.2564 -4.1328 -4.1328 -3.7168 -3.7168 -0.9834 -0.9834 -0.8734 -0.8734 4.8296 4.8296 5.2339 5.2339 6.1466 6.1466 6.1691 6.1691 6.2335 6.2335 6.5472 6.5472 6.6003 6.6003 7.2518 7.2518 7.4969 7.4969 9.1057 9.1057 9.4551 9.4551 9.8556 9.8556 9.9975 9.9975 10.0480 10.0480 10.4809 10.4809 k = 0.3615 0.5404 0.3591 ( 8364 PWs) bands (ev): -20.1977 -20.1977 -20.1834 -20.1834 -19.5800 -19.5800 -19.3528 -19.3528 -9.5715 -9.5715 -6.9010 -6.9010 -6.7963 -6.7963 -6.4244 -6.4244 -6.0304 -6.0304 -4.9886 -4.9886 -4.9044 -4.9044 -4.7834 -4.7834 -4.7185 -4.7185 -4.6866 -4.6866 -4.2561 -4.2561 -4.1333 -4.1333 -3.7143 -3.7143 -0.9682 -0.9682 -0.8721 -0.8721 4.8149 4.8149 5.1422 5.1422 6.1393 6.1393 6.1629 6.1629 6.2195 6.2195 6.5234 6.5234 6.5884 6.5884 7.2196 7.2196 7.4841 7.4841 9.1584 9.1584 9.4940 9.4940 9.9610 9.9610 10.0290 10.0290 10.0651 10.0651 10.5161 10.5161 k = 0.3533 0.5599 0.3803 ( 8370 PWs) bands (ev): -20.1970 -20.1970 -20.1836 -20.1836 -19.5729 -19.5729 -19.3597 -19.3597 -9.5925 -9.5925 -6.8994 -6.8994 -6.8000 -6.8000 -6.4095 -6.4095 -6.0282 -6.0282 -4.9880 -4.9880 -4.9070 -4.9070 -4.7886 -4.7886 -4.7178 -4.7178 -4.6633 -4.6633 -4.2558 -4.2558 -4.1354 -4.1354 -3.7093 -3.7093 -0.9535 -0.9535 -0.8707 -0.8707 4.8010 4.8010 5.0529 5.0529 6.1285 6.1285 6.1508 6.1508 6.2038 6.2038 6.5105 6.5105 6.5841 6.5841 7.1884 7.1884 7.4660 7.4660 9.2045 9.2045 9.5412 9.5412 10.0078 10.0078 10.0703 10.0703 10.1387 10.1387 10.5520 10.5521 k = 0.3452 0.5794 0.4014 ( 8364 PWs) bands (ev): -20.1963 -20.1963 -20.1839 -20.1839 -19.5655 -19.5655 -19.3668 -19.3668 -9.6127 -9.6127 -6.8977 -6.8977 -6.8038 -6.8038 -6.3954 -6.3954 -6.0261 -6.0261 -4.9882 -4.9882 -4.9092 -4.9092 -4.7936 -4.7936 -4.7173 -4.7173 -4.6401 -4.6401 -4.2555 -4.2555 -4.1390 -4.1390 -3.7021 -3.7021 -0.9394 -0.9394 -0.8694 -0.8694 4.7879 4.7879 4.9669 4.9669 6.1096 6.1096 6.1335 6.1335 6.1935 6.1935 6.5060 6.5060 6.5864 6.5864 7.1582 7.1582 7.4436 7.4436 9.2440 9.2440 9.5972 9.5972 9.9870 9.9870 10.1790 10.1790 10.2172 10.2172 10.5864 10.5864 k = 0.3370 0.5989 0.4225 ( 8360 PWs) bands (ev): -20.1955 -20.1955 -20.1843 -20.1843 -19.5578 -19.5578 -19.3742 -19.3742 -9.6317 -9.6317 -6.8959 -6.8959 -6.8076 -6.8076 -6.3822 -6.3822 -6.0240 -6.0240 -4.9889 -4.9889 -4.9111 -4.9111 -4.7984 -4.7984 -4.7171 -4.7171 -4.6174 -4.6174 -4.2551 -4.2551 -4.1443 -4.1443 -3.6927 -3.6927 -0.9261 -0.9261 -0.8680 -0.8680 4.7757 4.7757 4.8851 4.8851 6.0741 6.0741 6.1243 6.1243 6.1888 6.1888 6.5047 6.5047 6.5955 6.5955 7.1293 7.1293 7.4176 7.4176 9.2778 9.2778 9.6607 9.6607 9.9644 9.9644 10.2805 10.2805 10.3047 10.3047 10.6217 10.6217 k = 0.3289 0.6183 0.4436 ( 8364 PWs) bands (ev): -20.1948 -20.1948 -20.1847 -20.1847 -19.5499 -19.5499 -19.3819 -19.3819 -9.6495 -9.6495 -6.8941 -6.8941 -6.8114 -6.8114 -6.3700 -6.3700 -6.0219 -6.0219 -4.9900 -4.9900 -4.9127 -4.9127 -4.8031 -4.8031 -4.7170 -4.7170 -4.5955 -4.5955 -4.2547 -4.2547 -4.1510 -4.1510 -3.6817 -3.6817 -0.9139 -0.9139 -0.8666 -0.8666 4.7637 4.7637 4.8087 4.8087 6.0317 6.0317 6.1198 6.1198 6.1870 6.1870 6.5036 6.5036 6.6106 6.6106 7.1019 7.1019 7.3891 7.3891 9.3076 9.3076 9.7297 9.7297 9.9402 9.9402 10.3622 10.3622 10.4078 10.4078 10.6619 10.6619 k = 0.3207 0.6378 0.4648 ( 8368 PWs) bands (ev): -20.1940 -20.1940 -20.1851 -20.1851 -19.5418 -19.5418 -19.3898 -19.3898 -9.6659 -9.6659 -6.8922 -6.8922 -6.8151 -6.8151 -6.3589 -6.3589 -6.0199 -6.0199 -4.9913 -4.9913 -4.9140 -4.9140 -4.8075 -4.8075 -4.7172 -4.7172 -4.5745 -4.5745 -4.2541 -4.2541 -4.1591 -4.1591 -3.6693 -3.6693 -0.9028 -0.9028 -0.8652 -0.8652 4.7318 4.7318 4.7590 4.7590 5.9885 5.9885 6.1179 6.1179 6.1871 6.1871 6.5020 6.5020 6.6294 6.6294 7.0760 7.0760 7.3588 7.3588 9.3351 9.3351 9.8012 9.8012 9.9152 9.9152 10.4329 10.4329 10.5084 10.5084 10.7120 10.7120 k = 0.3126 0.6573 0.4859 ( 8358 PWs) bands (ev): -20.1932 -20.1932 -20.1855 -20.1855 -19.5335 -19.5335 -19.3978 -19.3978 -9.6808 -9.6808 -6.8903 -6.8903 -6.8187 -6.8187 -6.3489 -6.3489 -6.0180 -6.0180 -4.9927 -4.9927 -4.9149 -4.9149 -4.8117 -4.8117 -4.7175 -4.7175 -4.5546 -4.5546 -4.2534 -4.2534 -4.1682 -4.1682 -3.6563 -3.6563 -0.8931 -0.8931 -0.8637 -0.8637 4.6682 4.6682 4.7483 4.7483 5.9467 5.9467 6.1176 6.1176 6.1891 6.1891 6.5003 6.5003 6.6497 6.6497 7.0517 7.0517 7.3274 7.3274 9.3616 9.3616 9.8592 9.8592 9.9032 9.9032 10.4926 10.4926 10.5928 10.5928 10.7788 10.7788 k = 0.3044 0.6768 0.5070 ( 8354 PWs) bands (ev): -20.1924 -20.1924 -20.1860 -20.1860 -19.5250 -19.5250 -19.4061 -19.4061 -9.6941 -9.6941 -6.8884 -6.8884 -6.8223 -6.8223 -6.3400 -6.3400 -6.0162 -6.0162 -4.9941 -4.9941 -4.9155 -4.9155 -4.8156 -4.8156 -4.7179 -4.7179 -4.5360 -4.5360 -4.2526 -4.2526 -4.1779 -4.1779 -3.6432 -3.6432 -0.8849 -0.8849 -0.8620 -0.8620 4.6093 4.6093 4.7407 4.7407 5.9079 5.9079 6.1185 6.1185 6.1933 6.1933 6.4990 6.4990 6.6697 6.6697 7.0292 7.0292 7.2958 7.2958 9.3881 9.3881 9.8455 9.8455 9.9606 9.9606 10.5379 10.5379 10.6550 10.6550 10.8538 10.8538 k = 0.2963 0.6963 0.5282 ( 8346 PWs) bands (ev): -20.1917 -20.1917 -20.1866 -20.1866 -19.5164 -19.5164 -19.4145 -19.4145 -9.7058 -9.7058 -6.8864 -6.8864 -6.8257 -6.8257 -6.3323 -6.3323 -6.0145 -6.0145 -4.9953 -4.9953 -4.9157 -4.9157 -4.8194 -4.8194 -4.7186 -4.7186 -4.5188 -4.5188 -4.2516 -4.2516 -4.1880 -4.1880 -3.6307 -3.6307 -0.8784 -0.8784 -0.8601 -0.8601 4.5574 4.5574 4.7346 4.7346 5.8727 5.8727 6.1202 6.1202 6.1997 6.1997 6.4986 6.4986 6.6882 6.6882 7.0086 7.0086 7.2645 7.2645 9.4150 9.4150 9.8140 9.8140 10.0322 10.0322 10.5655 10.5655 10.7007 10.7007 10.9165 10.9166 k = 0.2881 0.7158 0.5493 ( 8342 PWs) bands (ev): -20.1909 -20.1909 -20.1871 -20.1871 -19.5077 -19.5077 -19.4231 -19.4231 -9.7157 -9.7157 -6.8844 -6.8844 -6.8290 -6.8290 -6.3259 -6.3259 -6.0130 -6.0130 -4.9963 -4.9963 -4.9157 -4.9157 -4.8228 -4.8228 -4.7194 -4.7194 -4.5034 -4.5034 -4.2503 -4.2503 -4.1980 -4.1980 -3.6191 -3.6191 -0.8735 -0.8735 -0.8581 -0.8581 4.5131 4.5131 4.7299 4.7299 5.8417 5.8417 6.1222 6.1222 6.2087 6.2087 6.4993 6.4993 6.7043 6.7043 6.9899 6.9899 7.2342 7.2342 9.4426 9.4426 9.7793 9.7793 10.1023 10.1023 10.5735 10.5735 10.7373 10.7373 10.9743 10.9743 k = 0.2800 0.7353 0.5704 ( 8353 PWs) bands (ev): -20.1901 -20.1901 -20.1877 -20.1877 -19.4989 -19.4989 -19.4317 -19.4317 -9.7238 -9.7238 -6.8825 -6.8825 -6.8321 -6.8321 -6.3207 -6.3207 -6.0117 -6.0117 -4.9971 -4.9971 -4.9153 -4.9153 -4.8260 -4.8260 -4.7204 -4.7204 -4.4899 -4.4899 -4.2488 -4.2488 -4.2075 -4.2075 -3.6092 -3.6092 -0.8701 -0.8701 -0.8563 -0.8563 4.4769 4.4769 4.7266 4.7266 5.8153 5.8153 6.1243 6.1243 6.2204 6.2204 6.5012 6.5012 6.7173 6.7173 6.9731 6.9731 7.2054 7.2054 9.4707 9.4707 9.7427 9.7427 10.1685 10.1685 10.5620 10.5620 10.7684 10.7684 11.0296 11.0296 k = 0.2718 0.7548 0.5915 ( 8359 PWs) bands (ev): -20.1893 -20.1893 -20.1884 -20.1884 -19.4902 -19.4902 -19.4404 -19.4404 -9.7299 -9.7299 -6.8805 -6.8805 -6.8350 -6.8350 -6.3167 -6.3167 -6.0106 -6.0106 -4.9975 -4.9975 -4.9146 -4.9146 -4.8289 -4.8289 -4.7214 -4.7214 -4.4788 -4.4788 -4.2468 -4.2468 -4.2161 -4.2161 -3.6012 -3.6012 -0.8676 -0.8676 -0.8552 -0.8552 4.4490 4.4490 4.7246 4.7246 5.7938 5.7938 6.1264 6.1264 6.2345 6.2345 6.5045 6.5045 6.7268 6.7268 6.9583 6.9583 7.1786 7.1786 9.4990 9.4990 9.7048 9.7048 10.2297 10.2297 10.5334 10.5334 10.7950 10.7950 11.0811 11.0811 k = 0.2718 0.7548 0.5915 ( 8359 PWs) bands (ev): -20.1893 -20.1893 -20.1884 -20.1884 -19.4902 -19.4902 -19.4404 -19.4404 -9.7299 -9.7299 -6.8805 -6.8805 -6.8350 -6.8350 -6.3167 -6.3167 -6.0106 -6.0106 -4.9975 -4.9975 -4.9146 -4.9146 -4.8289 -4.8289 -4.7214 -4.7214 -4.4788 -4.4788 -4.2468 -4.2468 -4.2161 -4.2161 -3.6012 -3.6012 -0.8676 -0.8676 -0.8552 -0.8552 4.4490 4.4490 4.7246 4.7246 5.7938 5.7938 6.1264 6.1264 6.2345 6.2345 6.5045 6.5045 6.7268 6.7268 6.9583 6.9583 7.1786 7.1786 9.4990 9.4990 9.7048 9.7048 10.2297 10.2297 10.5334 10.5334 10.7950 10.7950 11.0811 11.0811 k = 0.2447 0.7496 0.5972 ( 8361 PWs) bands (ev): -20.1892 -20.1892 -20.1884 -20.1884 -19.4878 -19.4878 -19.4427 -19.4427 -9.7313 -9.7313 -6.8799 -6.8799 -6.8359 -6.8359 -6.3159 -6.3159 -6.0103 -6.0103 -4.9973 -4.9973 -4.9151 -4.9151 -4.8290 -4.8290 -4.7220 -4.7220 -4.4762 -4.4762 -4.2462 -4.2462 -4.2182 -4.2182 -3.5994 -3.5994 -0.8671 -0.8671 -0.8551 -0.8551 4.4430 4.4430 4.7243 4.7243 5.7889 5.7889 6.1270 6.1270 6.2389 6.2389 6.5059 6.5059 6.7300 6.7300 6.9543 6.9543 7.1700 7.1700 9.5080 9.5080 9.6946 9.6946 10.2439 10.2439 10.5220 10.5220 10.7946 10.7946 11.0824 11.0824 k = 0.2175 0.7443 0.6029 ( 8356 PWs) bands (ev): -20.1893 -20.1893 -20.1883 -20.1883 -19.4855 -19.4855 -19.4450 -19.4450 -9.7325 -9.7325 -6.8792 -6.8792 -6.8368 -6.8368 -6.3151 -6.3151 -6.0101 -6.0101 -4.9966 -4.9966 -4.9168 -4.9168 -4.8277 -4.8277 -4.7231 -4.7231 -4.4739 -4.4739 -4.2454 -4.2454 -4.2203 -4.2203 -3.5978 -3.5978 -0.8667 -0.8667 -0.8552 -0.8552 4.4376 4.4376 4.7240 4.7240 5.7845 5.7845 6.1275 6.1275 6.2436 6.2436 6.5082 6.5082 6.7354 6.7354 6.9497 6.9497 7.1583 7.1583 9.5196 9.5196 9.6848 9.6848 10.2545 10.2545 10.5081 10.5081 10.7822 10.7822 11.0704 11.0704 k = 0.1903 0.7391 0.6085 ( 8358 PWs) bands (ev): -20.1895 -20.1895 -20.1881 -20.1881 -19.4832 -19.4832 -19.4473 -19.4473 -9.7335 -9.7335 -6.8785 -6.8785 -6.8377 -6.8377 -6.3144 -6.3144 -6.0099 -6.0099 -4.9955 -4.9955 -4.9195 -4.9195 -4.8253 -4.8253 -4.7246 -4.7246 -4.4718 -4.4718 -4.2444 -4.2444 -4.2223 -4.2223 -3.5964 -3.5964 -0.8663 -0.8663 -0.8554 -0.8554 4.4329 4.4329 4.7238 4.7238 5.7808 5.7808 6.1278 6.1278 6.2485 6.2485 6.5110 6.5110 6.7430 6.7430 6.9444 6.9444 7.1438 7.1438 9.5334 9.5334 9.6760 9.6760 10.2606 10.2606 10.4934 10.4934 10.7617 10.7617 11.0568 11.0568 k = 0.1631 0.7339 0.6142 ( 8356 PWs) bands (ev): -20.1897 -20.1897 -20.1879 -20.1879 -19.4810 -19.4810 -19.4495 -19.4495 -9.7345 -9.7345 -6.8778 -6.8778 -6.8387 -6.8387 -6.3139 -6.3139 -6.0096 -6.0096 -4.9940 -4.9940 -4.9231 -4.9231 -4.8222 -4.8222 -4.7264 -4.7264 -4.4699 -4.4699 -4.2433 -4.2433 -4.2242 -4.2242 -3.5952 -3.5952 -0.8658 -0.8658 -0.8558 -0.8558 4.4288 4.4288 4.7236 4.7236 5.7776 5.7776 6.1281 6.1281 6.2532 6.2532 6.5142 6.5142 6.7528 6.7528 6.9387 6.9387 7.1275 7.1275 9.5488 9.5488 9.6685 9.6685 10.2610 10.2610 10.4803 10.4803 10.7375 10.7375 11.0460 11.0460 k = 0.1359 0.7287 0.6199 ( 8351 PWs) bands (ev): -20.1899 -20.1899 -20.1877 -20.1877 -19.4788 -19.4788 -19.4517 -19.4517 -9.7353 -9.7353 -6.8770 -6.8770 -6.8396 -6.8396 -6.3134 -6.3134 -6.0094 -6.0094 -4.9921 -4.9921 -4.9271 -4.9271 -4.8185 -4.8185 -4.7285 -4.7285 -4.4683 -4.4683 -4.2422 -4.2422 -4.2260 -4.2260 -3.5942 -3.5942 -0.8652 -0.8652 -0.8564 -0.8564 4.4253 4.4253 4.7234 4.7234 5.7751 5.7751 6.1282 6.1282 6.2575 6.2575 6.5175 6.5175 6.7645 6.7645 6.9325 6.9325 7.1101 7.1101 9.5648 9.5648 9.6624 9.6624 10.2555 10.2555 10.4705 10.4705 10.7127 10.7127 11.0384 11.0384 k = 0.1087 0.7234 0.6255 ( 8357 PWs) bands (ev): -20.1900 -20.1900 -20.1875 -20.1875 -19.4766 -19.4766 -19.4538 -19.4538 -9.7359 -9.7359 -6.8763 -6.8763 -6.8405 -6.8405 -6.3130 -6.3130 -6.0093 -6.0093 -4.9901 -4.9901 -4.9311 -4.9311 -4.8148 -4.8148 -4.7307 -4.7307 -4.4670 -4.4670 -4.2410 -4.2410 -4.2278 -4.2278 -3.5933 -3.5933 -0.8646 -0.8646 -0.8571 -0.8571 4.4225 4.4225 4.7232 4.7232 5.7731 5.7731 6.1283 6.1283 6.2612 6.2612 6.5207 6.5207 6.7775 6.7775 6.9259 6.9259 7.0930 7.0930 9.5806 9.5806 9.6577 9.6577 10.2454 10.2454 10.4647 10.4647 10.6900 10.6900 11.0334 11.0334 k = 0.0816 0.7182 0.6312 ( 8359 PWs) bands (ev): -20.1901 -20.1901 -20.1874 -20.1874 -19.4747 -19.4747 -19.4558 -19.4558 -9.7364 -9.7364 -6.8757 -6.8757 -6.8412 -6.8412 -6.3127 -6.3127 -6.0091 -6.0091 -4.9881 -4.9881 -4.9349 -4.9349 -4.8114 -4.8114 -4.7328 -4.7328 -4.4660 -4.4660 -4.2398 -4.2398 -4.2294 -4.2294 -3.5927 -3.5927 -0.8638 -0.8638 -0.8580 -0.8580 4.4203 4.4203 4.7231 4.7231 5.7715 5.7715 6.1283 6.1283 6.2641 6.2641 6.5235 6.5235 6.7910 6.7910 6.9190 6.9190 7.0773 7.0773 9.5949 9.5949 9.6542 9.6542 10.2330 10.2330 10.4621 10.4621 10.6708 10.6708 11.0305 11.0305 k = 0.0544 0.7130 0.6368 ( 8355 PWs) bands (ev): -20.1902 -20.1902 -20.1873 -20.1873 -19.4729 -19.4729 -19.4575 -19.4575 -9.7368 -9.7368 -6.8753 -6.8753 -6.8418 -6.8418 -6.3125 -6.3125 -6.0090 -6.0090 -4.9862 -4.9862 -4.9381 -4.9381 -4.8087 -4.8087 -4.7345 -4.7345 -4.4652 -4.4652 -4.2386 -4.2386 -4.2309 -4.2309 -3.5922 -3.5922 -0.8630 -0.8630 -0.8589 -0.8589 4.4187 4.4187 4.7230 4.7230 5.7705 5.7705 6.1283 6.1283 6.2663 6.2663 6.5257 6.5257 6.8036 6.8036 6.9122 6.9122 7.0646 7.0646 9.6064 9.6064 9.6518 9.6518 10.2213 10.2213 10.4615 10.4615 10.6564 10.6564 11.0288 11.0288 k = 0.0272 0.7078 0.6425 ( 8353 PWs) bands (ev): -20.1902 -20.1902 -20.1873 -20.1873 -19.4717 -19.4717 -19.4588 -19.4588 -9.7370 -9.7370 -6.8750 -6.8750 -6.8421 -6.8421 -6.3123 -6.3123 -6.0090 -6.0090 -4.9850 -4.9850 -4.9402 -4.9402 -4.8068 -4.8068 -4.7357 -4.7357 -4.4648 -4.4648 -4.2375 -4.2375 -4.2321 -4.2321 -3.5919 -3.5919 -0.8622 -0.8622 -0.8597 -0.8597 4.4178 4.4178 4.7229 4.7229 5.7699 5.7699 6.1283 6.1283 6.2676 6.2676 6.5271 6.5271 6.8130 6.8130 6.9068 6.9068 7.0563 7.0563 9.6140 9.6140 9.6504 9.6504 10.2131 10.2131 10.4616 10.4616 10.6475 10.6475 11.0279 11.0279 k = 0.0000 0.7025 0.6482 ( 8362 PWs) bands (ev): -20.1903 -20.1903 -20.1872 -20.1872 -19.4712 -19.4712 -19.4592 -19.4592 -9.7370 -9.7370 -6.8749 -6.8749 -6.8423 -6.8423 -6.3123 -6.3123 -6.0090 -6.0090 -4.9845 -4.9845 -4.9409 -4.9409 -4.8062 -4.8062 -4.7361 -4.7361 -4.4646 -4.4646 -4.2371 -4.2371 -4.2326 -4.2326 -3.5918 -3.5918 -0.8617 -0.8617 -0.8603 -0.8603 4.4175 4.4175 4.7229 4.7229 5.7697 5.7697 6.1283 6.1283 6.2681 6.2681 6.5276 6.5276 6.8166 6.8166 6.9046 6.9046 7.0535 7.0535 9.6166 9.6166 9.6500 9.6500 10.2101 10.2101 10.4617 10.4617 10.6445 10.6445 11.0276 11.0276 k = 0.0000 0.7025 0.6482 ( 8362 PWs) bands (ev): -20.1903 -20.1903 -20.1872 -20.1872 -19.4712 -19.4712 -19.4592 -19.4592 -9.7370 -9.7370 -6.8749 -6.8749 -6.8423 -6.8423 -6.3123 -6.3123 -6.0090 -6.0090 -4.9845 -4.9845 -4.9409 -4.9409 -4.8062 -4.8062 -4.7361 -4.7361 -4.4646 -4.4646 -4.2371 -4.2371 -4.2326 -4.2326 -3.5918 -3.5918 -0.8617 -0.8617 -0.8603 -0.8603 4.4175 4.4175 4.7229 4.7229 5.7697 5.7697 6.1283 6.1283 6.2681 6.2681 6.5276 6.5276 6.8166 6.8166 6.9046 6.9046 7.0535 7.0535 9.6166 9.6166 9.6500 9.6500 10.2101 10.2101 10.4617 10.4617 10.6445 10.6445 11.0276 11.0276 k = 0.0081 0.6832 0.6691 ( 8360 PWs) bands (ev): -20.1903 -20.1903 -20.1872 -20.1872 -19.4712 -19.4712 -19.4592 -19.4592 -9.7383 -9.7383 -6.8748 -6.8748 -6.8423 -6.8423 -6.3125 -6.3125 -6.0081 -6.0081 -4.9843 -4.9843 -4.9410 -4.9410 -4.8064 -4.8064 -4.7361 -4.7361 -4.4655 -4.4655 -4.2419 -4.2419 -4.2247 -4.2247 -3.5916 -3.5916 -0.8623 -0.8623 -0.8603 -0.8603 4.4169 4.4169 4.7221 4.7221 5.7710 5.7710 6.1241 6.1241 6.2685 6.2685 6.5284 6.5284 6.8113 6.8113 6.9092 6.9092 7.0537 7.0537 9.6022 9.6022 9.6665 9.6665 10.1949 10.1949 10.4643 10.4643 10.6605 10.6605 11.0278 11.0278 k = 0.0161 0.6639 0.6900 ( 8356 PWs) bands (ev): -20.1902 -20.1902 -20.1872 -20.1872 -19.4711 -19.4711 -19.4592 -19.4592 -9.7422 -9.7422 -6.8747 -6.8747 -6.8423 -6.8423 -6.3131 -6.3131 -6.0055 -6.0055 -4.9836 -4.9836 -4.9411 -4.9411 -4.8070 -4.8070 -4.7363 -4.7363 -4.4681 -4.4681 -4.2455 -4.2455 -4.2122 -4.2122 -3.5909 -3.5909 -0.8644 -0.8644 -0.8603 -0.8603 4.4153 4.4153 4.7196 4.7196 5.7749 5.7749 6.1111 6.1111 6.2702 6.2702 6.5309 6.5309 6.7979 6.7979 6.9204 6.9204 7.0544 7.0544 9.5800 9.5800 9.6949 9.6949 10.1551 10.1551 10.4716 10.4716 10.7026 10.7026 11.0286 11.0286 k = 0.0242 0.6447 0.7109 ( 8360 PWs) bands (ev): -20.1902 -20.1902 -20.1872 -20.1872 -19.4708 -19.4708 -19.4591 -19.4591 -9.7486 -9.7486 -6.8744 -6.8744 -6.8425 -6.8425 -6.3141 -6.3141 -6.0011 -6.0011 -4.9827 -4.9827 -4.9412 -4.9412 -4.8081 -4.8081 -4.7365 -4.7365 -4.4721 -4.4721 -4.2461 -4.2461 -4.1970 -4.1970 -3.5899 -3.5899 -0.8679 -0.8679 -0.8602 -0.8602 4.4125 4.4125 4.7156 4.7156 5.7812 5.7812 6.0886 6.0886 6.2743 6.2743 6.5349 6.5349 6.7804 6.7804 6.9340 6.9340 7.0559 7.0559 9.5583 9.5583 9.7268 9.7268 10.1011 10.1011 10.4833 10.4833 10.7592 10.7592 11.0312 11.0312 k = 0.0323 0.6254 0.7318 ( 8368 PWs) bands (ev): -20.1901 -20.1901 -20.1872 -20.1872 -19.4706 -19.4706 -19.4590 -19.4590 -9.7573 -9.7573 -6.8741 -6.8741 -6.8426 -6.8426 -6.3157 -6.3157 -5.9950 -5.9950 -4.9815 -4.9815 -4.9413 -4.9413 -4.8095 -4.8095 -4.7369 -4.7369 -4.4770 -4.4770 -4.2437 -4.2437 -4.1797 -4.1797 -3.5883 -3.5883 -0.8728 -0.8728 -0.8599 -0.8599 4.4088 4.4088 4.7100 4.7100 5.7896 5.7896 6.0564 6.0564 6.2814 6.2814 6.5406 6.5406 6.7613 6.7613 6.9475 6.9475 7.0586 7.0586 9.5379 9.5379 9.7611 9.7611 10.0404 10.0404 10.4990 10.4990 10.8189 10.8189 11.0389 11.0389 k = 0.0403 0.6061 0.7527 ( 8366 PWs) bands (ev): -20.1900 -20.1900 -20.1871 -20.1871 -19.4702 -19.4702 -19.4589 -19.4589 -9.7684 -9.7684 -6.8737 -6.8737 -6.8428 -6.8428 -6.3179 -6.3179 -5.9872 -5.9872 -4.9803 -4.9803 -4.9412 -4.9412 -4.8114 -4.8114 -4.7373 -4.7373 -4.4826 -4.4826 -4.2384 -4.2384 -4.1604 -4.1604 -3.5864 -3.5864 -0.8791 -0.8791 -0.8596 -0.8596 4.4039 4.4039 4.7029 4.7029 5.7990 5.7990 6.0153 6.0153 6.2918 6.2918 6.5477 6.5477 6.7418 6.7418 6.9594 6.9594 7.0628 7.0628 9.5190 9.5190 9.7970 9.7970 9.9780 9.9780 10.5184 10.5184 10.8686 10.8686 11.0595 11.0595 k = 0.0484 0.5868 0.7736 ( 8362 PWs) bands (ev): -20.1898 -20.1898 -20.1870 -20.1870 -19.4698 -19.4698 -19.4588 -19.4588 -9.7815 -9.7815 -6.8733 -6.8733 -6.8431 -6.8431 -6.3208 -6.3208 -5.9777 -5.9777 -4.9793 -4.9793 -4.9407 -4.9407 -4.8136 -4.8136 -4.7378 -4.7378 -4.4883 -4.4883 -4.2304 -4.2304 -4.1395 -4.1395 -3.5840 -3.5840 -0.8866 -0.8866 -0.8592 -0.8592 4.3981 4.3981 4.6945 4.6945 5.8072 5.8072 5.9685 5.9685 6.3053 6.3053 6.5562 6.5562 6.7229 6.7229 6.9688 6.9688 7.0691 7.0691 9.5014 9.5014 9.8316 9.8316 9.9187 9.9187 10.5411 10.5411 10.8957 10.8957 11.1013 11.1013 k = 0.0565 0.5675 0.7945 ( 8362 PWs) bands (ev): -20.1897 -20.1897 -20.1870 -20.1870 -19.4692 -19.4692 -19.4587 -19.4587 -9.7966 -9.7966 -6.8728 -6.8728 -6.8434 -6.8434 -6.3244 -6.3244 -5.9668 -5.9668 -4.9787 -4.9787 -4.9397 -4.9397 -4.8162 -4.8162 -4.7385 -4.7385 -4.4940 -4.4940 -4.2198 -4.2198 -4.1174 -4.1174 -3.5811 -3.5811 -0.8953 -0.8953 -0.8587 -0.8587 4.3913 4.3913 4.6848 4.6848 5.8056 5.8056 5.9249 5.9249 6.3216 6.3216 6.5656 6.5656 6.7052 6.7052 6.9755 6.9755 7.0774 7.0774 9.4851 9.4851 9.8329 9.8329 9.8959 9.8959 10.5661 10.5661 10.9001 10.9001 11.1518 11.1518 k = 0.0645 0.5482 0.8154 ( 8376 PWs) bands (ev): -20.1895 -20.1895 -20.1869 -20.1869 -19.4687 -19.4687 -19.4585 -19.4585 -9.8134 -9.8134 -6.8722 -6.8722 -6.8438 -6.8438 -6.3289 -6.3289 -5.9545 -5.9545 -4.9786 -4.9786 -4.9382 -4.9382 -4.8191 -4.8191 -4.7392 -4.7392 -4.4993 -4.4993 -4.2067 -4.2067 -4.0942 -4.0942 -3.5777 -3.5777 -0.9050 -0.9050 -0.8582 -0.8582 4.3836 4.3836 4.6739 4.6739 5.7749 5.7749 5.9049 5.9049 6.3399 6.3399 6.5758 6.5758 6.6895 6.6895 6.9797 6.9797 7.0876 7.0876 9.4698 9.4698 9.7811 9.7811 9.9299 9.9299 10.5926 10.5926 10.8899 10.8899 11.1353 11.1353 k = 0.0726 0.5289 0.8363 ( 8364 PWs) bands (ev): -20.1894 -20.1894 -20.1868 -20.1868 -19.4680 -19.4680 -19.4584 -19.4584 -9.8316 -9.8316 -6.8717 -6.8717 -6.8442 -6.8442 -6.3341 -6.3341 -5.9410 -5.9410 -4.9792 -4.9792 -4.9361 -4.9361 -4.8221 -4.8221 -4.7401 -4.7401 -4.5041 -4.5041 -4.1912 -4.1912 -4.0702 -4.0702 -3.5739 -3.5739 -0.9157 -0.9157 -0.8576 -0.8576 4.3750 4.3750 4.6621 4.6621 5.7130 5.7130 5.9113 5.9113 6.3598 6.3598 6.5862 6.5862 6.6766 6.6766 6.9821 6.9821 7.0991 7.0991 9.4555 9.4555 9.7244 9.7244 9.9727 9.9727 10.6188 10.6188 10.8711 10.8711 11.0923 11.0923 k = 0.0806 0.5096 0.8573 ( 8370 PWs) bands (ev): -20.1892 -20.1892 -20.1867 -20.1867 -19.4674 -19.4674 -19.4582 -19.4582 -9.8510 -9.8510 -6.8711 -6.8711 -6.8446 -6.8446 -6.3400 -6.3400 -5.9265 -5.9265 -4.9804 -4.9804 -4.9336 -4.9336 -4.8253 -4.8253 -4.7411 -4.7411 -4.5084 -4.5084 -4.1734 -4.1734 -4.0455 -4.0455 -3.5696 -3.5696 -0.9273 -0.9273 -0.8570 -0.8570 4.3657 4.3657 4.6494 4.6494 5.6356 5.6356 5.9295 5.9295 6.3802 6.3802 6.5961 6.5961 6.6677 6.6677 6.9832 6.9832 7.1113 7.1113 9.4419 9.4419 9.6695 9.6695 10.0178 10.0178 10.6422 10.6422 10.8471 10.8471 11.0531 11.0531 k = 0.0887 0.4903 0.8782 ( 8364 PWs) bands (ev): -20.1889 -20.1889 -20.1866 -20.1866 -19.4666 -19.4666 -19.4580 -19.4580 -9.8715 -9.8715 -6.8706 -6.8706 -6.8451 -6.8451 -6.3466 -6.3466 -5.9114 -5.9114 -4.9820 -4.9820 -4.9309 -4.9309 -4.8286 -4.8286 -4.7423 -4.7423 -4.5122 -4.5122 -4.1537 -4.1537 -4.0202 -4.0202 -3.5648 -3.5648 -0.9396 -0.9396 -0.8563 -0.8563 4.3557 4.3557 4.6360 4.6360 5.5500 5.5500 5.9527 5.9527 6.4000 6.4000 6.6052 6.6052 6.6640 6.6640 6.9838 6.9838 7.1238 7.1238 9.4289 9.4289 9.6174 9.6174 10.0641 10.0641 10.6592 10.6592 10.8202 10.8202 11.0231 11.0231 k = 0.0968 0.4710 0.8991 ( 8362 PWs) bands (ev): -20.1887 -20.1887 -20.1865 -20.1865 -19.4659 -19.4659 -19.4577 -19.4577 -9.8926 -9.8926 -6.8700 -6.8700 -6.8456 -6.8456 -6.3539 -6.3539 -5.8957 -5.8957 -4.9840 -4.9840 -4.9280 -4.9280 -4.8318 -4.8318 -4.7436 -4.7436 -4.5154 -4.5154 -4.1322 -4.1322 -3.9944 -3.9944 -3.5595 -3.5595 -0.9525 -0.9525 -0.8556 -0.8556 4.3451 4.3451 4.6220 4.6220 5.4593 5.4593 5.9788 5.9788 6.4178 6.4178 6.6136 6.6136 6.6660 6.6660 6.9845 6.9845 7.1362 7.1362 9.4163 9.4163 9.5686 9.5686 10.1108 10.1108 10.6659 10.6659 10.7917 10.7917 11.0066 11.0066 k = 0.1048 0.4517 0.9200 ( 8354 PWs) bands (ev): -20.1885 -20.1885 -20.1864 -20.1864 -19.4651 -19.4651 -19.4575 -19.4575 -9.9143 -9.9143 -6.8695 -6.8695 -6.8462 -6.8462 -6.3616 -6.3616 -5.8798 -5.8798 -4.9863 -4.9863 -4.9252 -4.9252 -4.8349 -4.8349 -4.7451 -4.7451 -4.5182 -4.5182 -4.1094 -4.1094 -3.9681 -3.9681 -3.5536 -3.5536 -0.9659 -0.9659 -0.8548 -0.8548 4.3340 4.3340 4.6077 4.6077 5.3651 5.3651 6.0069 6.0069 6.4321 6.4321 6.6231 6.6231 6.6731 6.6731 6.9856 6.9856 7.1483 7.1483 9.4040 9.4040 9.5232 9.5232 10.1573 10.1573 10.6598 10.6598 10.7625 10.7625 11.0065 11.0065 k = 0.1129 0.4325 0.9409 ( 8354 PWs) bands (ev): -20.1883 -20.1883 -20.1862 -20.1862 -19.4642 -19.4642 -19.4573 -19.4573 -9.9362 -9.9362 -6.8690 -6.8690 -6.8468 -6.8468 -6.3697 -6.3697 -5.8639 -5.8639 -4.9888 -4.9888 -4.9226 -4.9226 -4.8379 -4.8379 -4.7466 -4.7466 -4.5205 -4.5205 -4.0856 -4.0856 -3.9414 -3.9414 -3.5472 -3.5472 -0.9796 -0.9796 -0.8541 -0.8541 4.3225 4.3225 4.5931 4.5931 5.2689 5.2689 6.0364 6.0364 6.4418 6.4418 6.6350 6.6350 6.6842 6.6842 6.9877 6.9877 7.1600 7.1600 9.3918 9.3918 9.4815 9.4815 10.2030 10.2030 10.6429 10.6429 10.7325 10.7325 11.0218 11.0218 k = 0.1210 0.4132 0.9618 ( 8354 PWs) bands (ev): -20.1880 -20.1880 -20.1861 -20.1861 -19.4634 -19.4634 -19.4571 -19.4571 -9.9581 -9.9581 -6.8685 -6.8685 -6.8475 -6.8475 -6.3781 -6.3781 -5.8482 -5.8482 -4.9914 -4.9914 -4.9202 -4.9202 -4.8406 -4.8406 -4.7483 -4.7483 -4.5224 -4.5224 -4.0615 -4.0615 -3.9141 -3.9141 -3.5402 -3.5402 -0.9934 -0.9934 -0.8533 -0.8533 4.3107 4.3107 4.5785 4.5785 5.1717 5.1717 6.0668 6.0668 6.4470 6.4470 6.6486 6.6486 6.6994 6.6994 6.9910 6.9910 7.1711 7.1711 9.3797 9.3797 9.4436 9.4436 10.2471 10.2471 10.6195 10.6195 10.7018 10.7018 11.0488 11.0488 k = 0.1290 0.3939 0.9827 ( 8352 PWs) bands (ev): -20.1878 -20.1878 -20.1860 -20.1860 -19.4626 -19.4626 -19.4568 -19.4568 -9.9798 -9.9798 -6.8680 -6.8680 -6.8481 -6.8481 -6.3867 -6.3867 -5.8328 -5.8328 -4.9940 -4.9940 -4.9180 -4.9180 -4.8432 -4.8432 -4.7500 -4.7500 -4.5239 -4.5239 -4.0375 -4.0375 -3.8863 -3.8863 -3.5327 -3.5327 -1.0073 -1.0073 -0.8525 -0.8525 4.2988 4.2988 4.5639 4.5639 5.0745 5.0745 6.0977 6.0977 6.4485 6.4485 6.6615 6.6615 6.7196 6.7196 6.9957 6.9957 7.1815 7.1815 9.3674 9.3674 9.4096 9.4096 10.2887 10.2887 10.5936 10.5936 10.6713 10.6713 11.0832 11.0832 k = 0.1371 0.3746 1.0036 ( 8348 PWs) bands (ev): -20.1876 -20.1876 -20.1859 -20.1859 -19.4617 -19.4617 -19.4566 -19.4566 -10.0011 -10.0011 -6.8676 -6.8676 -6.8488 -6.8488 -6.3953 -6.3953 -5.8180 -5.8180 -4.9966 -4.9966 -4.9161 -4.9161 -4.8457 -4.8457 -4.7517 -4.7517 -4.5252 -4.5252 -4.0142 -4.0142 -3.8580 -3.8580 -3.5245 -3.5245 -1.0212 -1.0212 -0.8516 -0.8516 4.2868 4.2868 4.5495 4.5495 4.9785 4.9785 6.1287 6.1287 6.4475 6.4475 6.6716 6.6716 6.7454 6.7454 7.0020 7.0020 7.1912 7.1912 9.3548 9.3548 9.3798 9.3798 10.3271 10.3271 10.5679 10.5679 10.6417 10.6417 11.1217 11.1217 k = 0.1452 0.3553 1.0245 ( 8340 PWs) bands (ev): -20.1873 -20.1873 -20.1858 -20.1858 -19.4609 -19.4609 -19.4564 -19.4564 -10.0218 -10.0218 -6.8671 -6.8671 -6.8496 -6.8496 -6.4038 -6.4038 -5.8038 -5.8038 -4.9992 -4.9992 -4.9143 -4.9143 -4.8480 -4.8480 -4.7534 -4.7534 -4.5263 -4.5263 -3.9920 -3.9920 -3.8294 -3.8294 -3.5157 -3.5157 -1.0347 -1.0347 -0.8508 -0.8508 4.2750 4.2750 4.5354 4.5354 4.8844 4.8844 6.1596 6.1596 6.4451 6.4451 6.6785 6.6785 6.7755 6.7755 7.0097 7.0097 7.2001 7.2001 9.3407 9.3407 9.3550 9.3550 10.3612 10.3612 10.5443 10.5443 10.6139 10.6139 11.1613 11.1613 k = 0.1532 0.3360 1.0454 ( 8340 PWs) bands (ev): -20.1871 -20.1871 -20.1857 -20.1857 -19.4601 -19.4601 -19.4562 -19.4562 -10.0416 -10.0416 -6.8667 -6.8667 -6.8503 -6.8503 -6.4122 -6.4122 -5.7904 -5.7904 -5.0016 -5.0016 -4.9127 -4.9127 -4.8503 -4.8503 -4.7550 -4.7550 -4.5271 -4.5271 -3.9713 -3.9713 -3.8008 -3.8008 -3.5062 -3.5062 -1.0479 -1.0479 -0.8501 -0.8501 4.2634 4.2634 4.5219 4.5219 4.7932 4.7932 6.1900 6.1900 6.4420 6.4420 6.6826 6.6826 6.8082 6.8082 7.0188 7.0188 7.2082 7.2082 9.3235 9.3235 9.3371 9.3371 10.3896 10.3896 10.5242 10.5242 10.5885 10.5885 11.1717 11.1717 k = 0.1613 0.3167 1.0663 ( 8338 PWs) bands (ev): -20.1869 -20.1869 -20.1856 -20.1856 -19.4593 -19.4593 -19.4560 -19.4560 -10.0605 -10.0605 -6.8663 -6.8663 -6.8511 -6.8511 -6.4203 -6.4203 -5.7779 -5.7779 -5.0040 -5.0040 -4.9112 -4.9112 -4.8526 -4.8526 -4.7566 -4.7566 -4.5279 -4.5279 -3.9523 -3.9523 -3.7726 -3.7726 -3.4962 -3.4962 -1.0606 -1.0606 -0.8493 -0.8493 4.2521 4.2521 4.5089 4.5089 4.7057 4.7057 6.2195 6.2195 6.4387 6.4387 6.6846 6.6846 6.8423 6.8423 7.0290 7.0290 7.2154 7.2154 9.3056 9.3056 9.3236 9.3236 10.4109 10.4109 10.5091 10.5091 10.5660 10.5660 11.1267 11.1267 k = 0.1694 0.2974 1.0873 ( 8330 PWs) bands (ev): -20.1867 -20.1867 -20.1854 -20.1854 -19.4586 -19.4586 -19.4558 -19.4558 -10.0783 -10.0783 -6.8658 -6.8658 -6.8518 -6.8518 -6.4280 -6.4280 -5.7663 -5.7663 -5.0062 -5.0062 -4.9097 -4.9097 -4.8549 -4.8549 -4.7580 -4.7580 -4.5284 -4.5284 -3.9352 -3.9352 -3.7453 -3.7453 -3.4854 -3.4854 -1.0727 -1.0727 -0.8485 -0.8485 4.2413 4.2413 4.4966 4.4966 4.6228 4.6228 6.2478 6.2478 6.4356 6.4356 6.6849 6.6849 6.8766 6.8766 7.0399 7.0399 7.2216 7.2216 9.2897 9.2897 9.3115 9.3115 10.4230 10.4230 10.5006 10.5006 10.5471 10.5471 11.0793 11.0793 k = 0.1774 0.2781 1.1082 ( 8328 PWs) bands (ev): -20.1865 -20.1865 -20.1854 -20.1854 -19.4579 -19.4579 -19.4556 -19.4556 -10.0948 -10.0948 -6.8654 -6.8654 -6.8526 -6.8526 -6.4352 -6.4352 -5.7557 -5.7557 -5.0082 -5.0082 -4.9082 -4.9082 -4.8573 -4.8573 -4.7593 -4.7593 -4.5289 -4.5289 -3.9200 -3.9200 -3.7195 -3.7195 -3.4742 -3.4742 -1.0840 -1.0840 -0.8478 -0.8478 4.2312 4.2312 4.4847 4.4847 4.5456 4.5456 6.2746 6.2746 6.4327 6.4327 6.6838 6.6838 6.9105 6.9105 7.0513 7.0513 7.2268 7.2268 9.2765 9.2765 9.3001 9.3001 10.4263 10.4263 10.4974 10.4974 10.5330 10.5330 11.0328 11.0328 k = 0.1855 0.2588 1.1291 ( 8324 PWs) bands (ev): -20.1863 -20.1863 -20.1853 -20.1853 -19.4573 -19.4573 -19.4554 -19.4554 -10.1099 -10.1099 -6.8650 -6.8650 -6.8533 -6.8533 -6.4419 -6.4419 -5.7461 -5.7461 -5.0100 -5.0100 -4.9066 -4.9066 -4.8599 -4.8599 -4.7604 -4.7604 -4.5293 -4.5293 -3.9066 -3.9066 -3.6957 -3.6957 -3.4625 -3.4625 -1.0944 -1.0944 -0.8472 -0.8472 4.2217 4.2217 4.4663 4.4663 4.4819 4.4819 6.2996 6.2996 6.4303 6.4303 6.6818 6.6818 6.9431 6.9431 7.0627 7.0627 7.2309 7.2309 9.2659 9.2659 9.2895 9.2895 10.4242 10.4242 10.4945 10.4945 10.5254 10.5254 10.9882 10.9882 k = 0.1935 0.2395 1.1500 ( 8326 PWs) bands (ev): -20.1861 -20.1861 -20.1852 -20.1852 -19.4567 -19.4567 -19.4552 -19.4552 -10.1235 -10.1235 -6.8646 -6.8646 -6.8541 -6.8541 -6.4480 -6.4480 -5.7377 -5.7377 -5.0117 -5.0117 -4.9049 -4.9049 -4.8625 -4.8625 -4.7614 -4.7614 -4.5296 -4.5296 -3.8950 -3.8950 -3.6744 -3.6744 -3.4505 -3.4505 -1.1039 -1.1039 -0.8466 -0.8466 4.2131 4.2131 4.4068 4.4068 4.4669 4.4669 6.3225 6.3225 6.4284 6.4284 6.6791 6.6791 6.9739 6.9739 7.0738 7.0738 7.2338 7.2338 9.2576 9.2576 9.2798 9.2798 10.4209 10.4209 10.4885 10.4885 10.5238 10.5238 10.9459 10.9459 k = 0.2016 0.2203 1.1709 ( 8322 PWs) bands (ev): -20.1860 -20.1860 -20.1851 -20.1851 -19.4562 -19.4562 -19.4551 -19.4551 -10.1355 -10.1355 -6.8641 -6.8641 -6.8548 -6.8548 -6.4534 -6.4534 -5.7303 -5.7303 -5.0131 -5.0131 -4.9030 -4.9030 -4.8653 -4.8653 -4.7622 -4.7622 -4.5299 -4.5299 -3.8851 -3.8851 -3.6558 -3.6558 -3.4388 -3.4388 -1.1122 -1.1122 -0.8461 -0.8461 4.2055 4.2055 4.3495 4.3495 4.4582 4.4582 6.3429 6.3429 6.4270 6.4270 6.6760 6.6760 7.0022 7.0022 7.0845 7.0845 7.2357 7.2357 9.2512 9.2512 9.2710 9.2710 10.4183 10.4183 10.4814 10.4814 10.5245 10.5245 10.9065 10.9065 k = 0.2097 0.2010 1.1918 ( 8320 PWs) bands (ev): -20.1859 -20.1859 -20.1850 -20.1850 -19.4557 -19.4557 -19.4550 -19.4550 -10.1458 -10.1458 -6.8637 -6.8637 -6.8555 -6.8555 -6.4581 -6.4581 -5.7240 -5.7240 -5.0144 -5.0144 -4.9010 -4.9010 -4.8681 -4.8681 -4.7628 -4.7628 -4.5300 -4.5300 -3.8769 -3.8769 -3.6403 -3.6403 -3.4276 -3.4276 -1.1195 -1.1195 -0.8456 -0.8456 4.1988 4.1988 4.2998 4.2998 4.4509 4.4509 6.3605 6.3605 6.4262 6.4262 6.6727 6.6727 7.0273 7.0273 7.0946 7.0946 7.2364 7.2364 9.2464 9.2464 9.2636 9.2636 10.4174 10.4174 10.4748 10.4748 10.5252 10.5252 10.8707 10.8707 k = 0.2177 0.1817 1.2127 ( 8316 PWs) bands (ev): -20.1858 -20.1858 -20.1850 -20.1850 -19.4554 -19.4554 -19.4549 -19.4549 -10.1543 -10.1543 -6.8633 -6.8633 -6.8561 -6.8561 -6.4619 -6.4619 -5.7189 -5.7189 -5.0154 -5.0154 -4.8989 -4.8989 -4.8709 -4.8709 -4.7634 -4.7634 -4.5302 -4.5302 -3.8703 -3.8703 -3.6277 -3.6277 -3.4174 -3.4174 -1.1255 -1.1255 -0.8452 -0.8452 4.1932 4.1932 4.2585 4.2585 4.4449 4.4449 6.3749 6.3749 6.4260 6.4260 6.6697 6.6697 7.0486 7.0486 7.1039 7.1039 7.2361 7.2361 9.2427 9.2427 9.2576 9.2576 10.4182 10.4182 10.4689 10.4689 10.5256 10.5256 10.8392 10.8392 k = 0.2258 0.1624 1.2336 ( 8324 PWs) bands (ev): -20.1857 -20.1857 -20.1849 -20.1849 -19.4551 -19.4551 -19.4548 -19.4548 -10.1610 -10.1610 -6.8630 -6.8630 -6.8566 -6.8566 -6.4650 -6.4650 -5.7148 -5.7148 -5.0162 -5.0162 -4.8969 -4.8969 -4.8735 -4.8735 -4.7638 -4.7638 -4.5303 -4.5303 -3.8652 -3.8652 -3.6180 -3.6180 -3.4089 -3.4089 -1.1303 -1.1303 -0.8449 -0.8449 4.1887 4.1887 4.2258 4.2258 4.4402 4.4402 6.3859 6.3859 6.4264 6.4264 6.6670 6.6670 7.0653 7.0653 7.1124 7.1124 7.2351 7.2351 9.2397 9.2397 9.2532 9.2532 10.4207 10.4207 10.4632 10.4632 10.5261 10.5261 10.8130 10.8130 k = 0.2339 0.1431 1.2545 ( 8322 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4549 -19.4549 -19.4547 -19.4547 -10.1658 -10.1658 -6.8627 -6.8627 -6.8571 -6.8571 -6.4672 -6.4672 -5.7120 -5.7120 -5.0168 -5.0168 -4.8949 -4.8949 -4.8759 -4.8759 -4.7640 -4.7640 -4.5304 -4.5304 -3.8616 -3.8616 -3.6112 -3.6112 -3.4024 -3.4024 -1.1337 -1.1337 -0.8447 -0.8447 4.1853 4.1853 4.2025 4.2025 4.4369 4.4369 6.3933 6.3933 6.4274 6.4274 6.6648 6.6648 7.0771 7.0771 7.1197 7.1197 7.2337 7.2337 9.2375 9.2375 9.2504 9.2504 10.4243 10.4243 10.4577 10.4577 10.5268 10.5268 10.7930 10.7930 k = 0.2419 0.1238 1.2754 ( 8326 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1687 -10.1687 -6.8625 -6.8625 -6.8574 -6.8574 -6.4685 -6.4685 -5.7103 -5.7103 -5.0171 -5.0171 -4.8934 -4.8934 -4.8777 -4.8777 -4.7642 -4.7642 -4.5304 -4.5304 -3.8594 -3.8594 -3.6072 -3.6072 -3.3984 -3.3984 -1.1358 -1.1358 -0.8445 -0.8445 4.1824 4.1824 4.1892 4.1892 4.4349 4.4349 6.3974 6.3974 6.4284 6.4284 6.6635 6.6635 7.0839 7.0839 7.1248 7.1248 7.2325 7.2325 9.2360 9.2360 9.2489 9.2489 10.4280 10.4280 10.4530 10.4530 10.5274 10.5274 10.7805 10.7805 k = 0.2500 0.1045 1.2963 ( 8328 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8624 -6.8624 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0172 -5.0172 -4.8929 -4.8929 -4.8784 -4.8784 -4.7642 -4.7642 -4.5304 -4.5304 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1365 -1.1365 -0.8445 -0.8445 4.1804 4.1804 4.1858 4.1858 4.4342 4.4342 6.3987 6.3987 6.4288 6.4288 6.6630 6.6630 7.0861 7.0861 7.1267 7.1267 7.2320 7.2320 9.2355 9.2355 9.2484 9.2484 10.4298 10.4298 10.4510 10.4510 10.5277 10.5277 10.7762 10.7762 k = 0.2500 0.1045 1.2963 ( 8328 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8624 -6.8624 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0172 -5.0172 -4.8929 -4.8929 -4.8784 -4.8784 -4.7642 -4.7642 -4.5304 -4.5304 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1365 -1.1365 -0.8445 -0.8445 4.1804 4.1804 4.1858 4.1858 4.4342 4.4342 6.3987 6.3987 6.4288 6.4288 6.6630 6.6630 7.0861 7.0861 7.1267 7.1267 7.2320 7.2320 9.2355 9.2355 9.2484 9.2484 10.4298 10.4298 10.4510 10.4510 10.5277 10.5277 10.7762 10.7762 k = 0.2750 0.1150 1.2850 ( 8329 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1695 -10.1695 -6.8624 -6.8624 -6.8575 -6.8575 -6.4689 -6.4689 -5.7098 -5.7098 -5.0171 -5.0171 -4.8957 -4.8957 -4.8751 -4.8751 -4.7647 -4.7647 -4.5304 -4.5304 -3.8588 -3.8588 -3.6061 -3.6061 -3.3972 -3.3972 -1.1365 -1.1365 -0.8444 -0.8444 4.1808 4.1808 4.1862 4.1862 4.4341 4.4341 6.3957 6.3957 6.4319 6.4319 6.6646 6.6646 7.0854 7.0854 7.1264 7.1264 7.2306 7.2306 9.2136 9.2136 9.2711 9.2711 10.4276 10.4276 10.4505 10.4505 10.5278 10.5278 10.7824 10.7824 k = 0.3000 0.1254 1.2737 ( 8322 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4548 -19.4548 -19.4546 -19.4546 -10.1691 -10.1691 -6.8624 -6.8624 -6.8574 -6.8574 -6.4687 -6.4687 -5.7100 -5.7100 -5.0168 -5.0168 -4.9012 -4.9012 -4.8686 -4.8686 -4.7661 -4.7661 -4.5302 -4.5302 -3.8591 -3.8591 -3.6067 -3.6067 -3.3978 -3.3978 -1.1365 -1.1365 -0.8441 -0.8441 4.1820 4.1820 4.1874 4.1874 4.4338 4.4338 6.3884 6.3884 6.4393 6.4393 6.6693 6.6693 7.0834 7.0834 7.1252 7.1252 7.2269 7.2269 9.1876 9.1876 9.2992 9.2992 10.4217 10.4217 10.4489 10.4489 10.5281 10.5281 10.8003 10.8003 k = 0.3250 0.1359 1.2624 ( 8322 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4550 -19.4550 -19.4544 -19.4544 -10.1683 -10.1683 -6.8625 -6.8625 -6.8574 -6.8574 -6.4684 -6.4684 -5.7104 -5.7104 -5.0163 -5.0163 -4.9069 -4.9069 -4.8612 -4.8612 -4.7684 -4.7684 -4.5299 -4.5299 -3.8596 -3.8596 -3.6076 -3.6076 -3.3988 -3.3988 -1.1364 -1.1364 -0.8436 -0.8436 4.1840 4.1840 4.1893 4.1893 4.4335 4.4335 6.3793 6.3793 6.4484 6.4484 6.6765 6.6765 7.0804 7.0804 7.1233 7.1233 7.2213 7.2213 9.1634 9.1634 9.3269 9.3269 10.4138 10.4138 10.4455 10.4455 10.5290 10.5290 10.8283 10.8283 k = 0.3500 0.1463 1.2510 ( 8316 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4553 -19.4553 -19.4542 -19.4542 -10.1674 -10.1674 -6.8625 -6.8625 -6.8572 -6.8572 -6.4679 -6.4679 -5.7110 -5.7110 -5.0156 -5.0156 -4.9123 -4.9123 -4.8535 -4.8535 -4.7716 -4.7716 -4.5295 -4.5295 -3.8604 -3.8604 -3.6090 -3.6090 -3.4002 -3.4002 -1.1363 -1.1363 -0.8429 -0.8429 4.1868 4.1868 4.1921 4.1921 4.4330 4.4330 6.3696 6.3696 6.4577 6.4577 6.6857 6.6857 7.0764 7.0764 7.1206 7.1206 7.2144 7.2144 9.1417 9.1417 9.3531 9.3531 10.4055 10.4055 10.4403 10.4403 10.5307 10.5307 10.8641 10.8641 k = 0.3750 0.1568 1.2397 ( 8322 PWs) bands (ev): -20.1856 -20.1856 -20.1850 -20.1850 -19.4556 -19.4556 -19.4539 -19.4539 -10.1661 -10.1661 -6.8626 -6.8626 -6.8571 -6.8571 -6.4674 -6.4674 -5.7118 -5.7118 -5.0147 -5.0147 -4.9172 -4.9172 -4.8458 -4.8458 -4.7754 -4.7754 -4.5291 -4.5291 -3.8613 -3.8613 -3.6108 -3.6108 -3.4020 -3.4020 -1.1361 -1.1361 -0.8422 -0.8422 4.1904 4.1904 4.1956 4.1956 4.4327 4.4327 6.3597 6.3597 6.4668 6.4668 6.6959 6.6959 7.0719 7.0719 7.1174 7.1174 7.2070 7.2070 9.1230 9.1230 9.3770 9.3770 10.3984 10.3984 10.4331 10.4331 10.5333 10.5333 10.9056 10.9056 k = 0.4000 0.1672 1.2284 ( 8314 PWs) bands (ev): -20.1856 -20.1856 -20.1850 -20.1850 -19.4560 -19.4560 -19.4536 -19.4536 -10.1645 -10.1645 -6.8628 -6.8628 -6.8569 -6.8569 -6.4667 -6.4667 -5.7127 -5.7127 -5.0136 -5.0136 -4.9214 -4.9214 -4.8383 -4.8383 -4.7798 -4.7798 -4.5286 -4.5286 -3.8625 -3.8625 -3.6130 -3.6130 -3.4041 -3.4041 -1.1356 -1.1356 -0.8414 -0.8414 4.1946 4.1946 4.2001 4.2001 4.4325 4.4325 6.3499 6.3499 6.4750 6.4750 6.7059 6.7059 7.0672 7.0672 7.1141 7.1141 7.1999 7.1999 9.1077 9.1077 9.3979 9.3979 10.3933 10.3933 10.4244 10.4244 10.5369 10.5369 10.9506 10.9506 k = 0.4250 0.1777 1.2170 ( 8321 PWs) bands (ev): -20.1856 -20.1856 -20.1850 -20.1850 -19.4565 -19.4565 -19.4532 -19.4532 -10.1627 -10.1627 -6.8629 -6.8629 -6.8567 -6.8567 -6.4658 -6.4658 -5.7138 -5.7138 -5.0125 -5.0125 -4.9249 -4.9249 -4.8313 -4.8313 -4.7843 -4.7843 -4.5281 -4.5281 -3.8639 -3.8639 -3.6156 -3.6156 -3.4067 -3.4067 -1.1350 -1.1350 -0.8407 -0.8407 4.1995 4.1995 4.2054 4.2054 4.4326 4.4326 6.3404 6.3404 6.4822 6.4822 6.7143 6.7143 7.0630 7.0630 7.1107 7.1107 7.1936 7.1936 9.0961 9.0961 9.4151 9.4151 10.3908 10.3908 10.4146 10.4146 10.5414 10.5414 10.9973 10.9973 k = 0.4500 0.1881 1.2057 ( 8324 PWs) bands (ev): -20.1855 -20.1855 -20.1851 -20.1851 -19.4571 -19.4571 -19.4528 -19.4528 -10.1606 -10.1606 -6.8631 -6.8631 -6.8564 -6.8564 -6.4649 -6.4649 -5.7151 -5.7151 -5.0113 -5.0113 -4.9276 -4.9276 -4.8254 -4.8254 -4.7886 -4.7886 -4.5277 -4.5277 -3.8655 -3.8655 -3.6185 -3.6185 -3.4095 -3.4095 -1.1340 -1.1340 -0.8401 -0.8401 4.2049 4.2049 4.2117 4.2117 4.4332 4.4332 6.3313 6.3313 6.4882 6.4882 6.7198 6.7198 7.0599 7.0599 7.1075 7.1075 7.1888 7.1888 9.0885 9.0885 9.4280 9.4280 10.3900 10.3900 10.4053 10.4053 10.5466 10.5466 11.0441 11.0441 k = 0.4750 0.1986 1.1944 ( 8323 PWs) bands (ev): -20.1855 -20.1855 -20.1852 -20.1852 -19.4577 -19.4577 -19.4523 -19.4523 -10.1582 -10.1582 -6.8633 -6.8633 -6.8561 -6.8561 -6.4638 -6.4638 -5.7165 -5.7165 -5.0103 -5.0103 -4.9293 -4.9293 -4.8215 -4.8215 -4.7915 -4.7915 -4.5273 -4.5273 -3.8673 -3.8673 -3.6219 -3.6219 -3.4128 -3.4128 -1.1326 -1.1326 -0.8397 -0.8397 4.2110 4.2110 4.2189 4.2189 4.4342 4.4342 6.3226 6.3226 6.4927 6.4927 6.7215 6.7215 7.0581 7.0581 7.1043 7.1043 7.1863 7.1863 9.0848 9.0848 9.4363 9.4363 10.3855 10.3855 10.4020 10.4020 10.5524 10.5524 11.0895 11.0895 k = 0.5000 0.2090 1.1831 ( 8318 PWs) bands (ev): -20.1855 -20.1855 -20.1853 -20.1853 -19.4584 -19.4584 -19.4517 -19.4517 -10.1555 -10.1555 -6.8636 -6.8636 -6.8558 -6.8558 -6.4626 -6.4626 -5.7182 -5.7182 -5.0093 -5.0093 -4.9301 -4.9301 -4.8210 -4.8210 -4.7917 -4.7917 -4.5270 -4.5270 -3.8693 -3.8693 -3.6257 -3.6257 -3.4163 -3.4163 -1.1309 -1.1309 -0.8395 -0.8395 4.2177 4.2177 4.2271 4.2271 4.4357 4.4357 6.3147 6.3147 6.4957 6.4957 6.7190 6.7190 7.0574 7.0574 7.1011 7.1011 7.1866 7.1866 9.0852 9.0852 9.4399 9.4399 10.3753 10.3753 10.4069 10.4069 10.5587 10.5587 11.1278 11.1278 k = 0.5000 0.2090 1.1831 ( 8318 PWs) bands (ev): -20.1855 -20.1855 -20.1853 -20.1853 -19.4584 -19.4584 -19.4517 -19.4517 -10.1555 -10.1555 -6.8636 -6.8636 -6.8558 -6.8558 -6.4626 -6.4626 -5.7182 -5.7182 -5.0093 -5.0093 -4.9301 -4.9301 -4.8210 -4.8210 -4.7917 -4.7917 -4.5270 -4.5270 -3.8693 -3.8693 -3.6257 -3.6257 -3.4163 -3.4163 -1.1309 -1.1309 -0.8395 -0.8395 4.2177 4.2177 4.2271 4.2271 4.4357 4.4357 6.3147 6.3147 6.4957 6.4957 6.7190 6.7190 7.0574 7.0574 7.1011 7.1011 7.1866 7.1866 9.0852 9.0852 9.4399 9.4399 10.3753 10.3753 10.4069 10.4069 10.5587 10.5587 11.1278 11.1278 k = 0.5000 0.2090 1.1535 ( 8332 PWs) bands (ev): -20.1855 -20.1855 -20.1854 -20.1854 -19.4606 -19.4606 -19.4500 -19.4500 -10.1472 -10.1472 -6.8643 -6.8643 -6.8548 -6.8548 -6.4589 -6.4589 -5.7232 -5.7232 -5.0067 -5.0067 -4.9311 -4.9311 -4.8247 -4.8247 -4.7880 -4.7880 -4.5264 -4.5264 -3.8755 -3.8755 -3.6375 -3.6375 -3.4270 -3.4270 -1.1253 -1.1253 -0.8394 -0.8394 4.2382 4.2382 4.2524 4.2524 4.4410 4.4410 6.2933 6.2933 6.5023 6.5023 6.7056 6.7056 7.0554 7.0554 7.0925 7.0925 7.1918 7.1918 9.0923 9.0923 9.4436 9.4436 10.3430 10.3430 10.4275 10.4275 10.5785 10.5785 11.1320 11.1321 k = 0.5000 0.2090 1.1239 ( 8334 PWs) bands (ev): -20.1857 -20.1857 -20.1853 -20.1853 -19.4632 -19.4632 -19.4479 -19.4479 -10.1370 -10.1370 -6.8651 -6.8651 -6.8536 -6.8536 -6.4544 -6.4544 -5.7293 -5.7293 -5.0035 -5.0035 -4.9321 -4.9321 -4.8286 -4.8286 -4.7842 -4.7842 -4.5256 -4.5256 -3.8831 -3.8831 -3.6520 -3.6520 -3.4396 -3.4396 -1.1185 -1.1185 -0.8393 -0.8393 4.2630 4.2630 4.2834 4.2834 4.4476 4.4476 6.2693 6.2693 6.5104 6.5104 6.6878 6.6878 7.0523 7.0523 7.0848 7.0848 7.1965 7.1965 9.1010 9.1010 9.4492 9.4492 10.3063 10.3063 10.4512 10.4512 10.6030 10.6030 11.1327 11.1328 k = 0.5000 0.2090 1.0943 ( 8332 PWs) bands (ev): -20.1860 -20.1860 -20.1853 -20.1853 -19.4664 -19.4664 -19.4455 -19.4455 -10.1251 -10.1251 -6.8660 -6.8660 -6.8523 -6.8523 -6.4493 -6.4493 -5.7366 -5.7366 -4.9997 -4.9997 -4.9332 -4.9332 -4.8326 -4.8326 -4.7804 -4.7804 -4.5248 -4.5248 -3.8920 -3.8920 -3.6694 -3.6694 -3.4536 -3.4536 -1.1107 -1.1107 -0.8394 -0.8394 4.2920 4.2920 4.3197 4.3197 4.4553 4.4553 6.2439 6.2439 6.5199 6.5199 6.6652 6.6652 7.0482 7.0482 7.0789 7.0789 7.1997 7.1997 9.1113 9.1113 9.4569 9.4569 10.2667 10.2667 10.4767 10.4767 10.6310 10.6310 11.1296 11.1296 k = 0.5000 0.2090 1.0648 ( 8332 PWs) bands (ev): -20.1864 -20.1864 -20.1852 -20.1852 -19.4699 -19.4699 -19.4426 -19.4426 -10.1113 -10.1113 -6.8670 -6.8670 -6.8507 -6.8507 -6.4436 -6.4436 -5.7450 -5.7450 -4.9954 -4.9954 -4.9344 -4.9344 -4.8367 -4.8367 -4.7764 -4.7764 -4.5240 -4.5240 -3.9023 -3.9023 -3.6894 -3.6894 -3.4686 -3.4686 -1.1019 -1.1019 -0.8396 -0.8396 4.3253 4.3253 4.3610 4.3610 4.4641 4.4641 6.2180 6.2180 6.5308 6.5308 6.6377 6.6377 7.0436 7.0436 7.0754 7.0754 7.2006 7.2006 9.1234 9.1234 9.4669 9.4669 10.2252 10.2252 10.5033 10.5033 10.6608 10.6608 11.1216 11.1216 k = 0.5000 0.2090 1.0352 ( 8352 PWs) bands (ev): -20.1868 -20.1868 -20.1851 -20.1851 -19.4739 -19.4739 -19.4395 -19.4395 -10.0958 -10.0958 -6.8682 -6.8682 -6.8490 -6.8490 -6.4375 -6.4375 -5.7546 -5.7546 -4.9905 -4.9905 -4.9354 -4.9354 -4.8410 -4.8410 -4.7724 -4.7724 -4.5233 -4.5233 -3.9138 -3.9138 -3.7122 -3.7122 -3.4844 -3.4844 -1.0922 -1.0922 -0.8402 -0.8402 4.3626 4.3626 4.4069 4.4069 4.4741 4.4741 6.1927 6.1927 6.5427 6.5427 6.6059 6.6059 7.0382 7.0382 7.0749 7.0749 7.1986 7.1986 9.1372 9.1372 9.4796 9.4796 10.1824 10.1824 10.5300 10.5300 10.6906 10.6906 11.1091 11.1091 k = 0.5000 0.2090 1.0056 ( 8342 PWs) bands (ev): -20.1872 -20.1872 -20.1850 -20.1850 -19.4783 -19.4783 -19.4359 -19.4359 -10.0787 -10.0787 -6.8694 -6.8694 -6.8471 -6.8471 -6.4309 -6.4309 -5.7652 -5.7652 -4.9850 -4.9850 -4.9363 -4.9363 -4.8454 -4.8454 -4.7684 -4.7684 -4.5226 -4.5226 -3.9265 -3.9265 -3.7374 -3.7374 -3.5005 -3.5005 -1.0817 -1.0817 -0.8411 -0.8411 4.4038 4.4038 4.4570 4.4570 4.4854 4.4854 6.1686 6.1686 6.5525 6.5525 6.5736 6.5736 7.0318 7.0318 7.0779 7.0779 7.1935 7.1935 9.1527 9.1527 9.4950 9.4950 10.1384 10.1384 10.5562 10.5562 10.7176 10.7176 11.0923 11.0923 k = 0.5000 0.2090 0.9760 ( 8346 PWs) bands (ev): -20.1877 -20.1877 -20.1848 -20.1848 -19.4830 -19.4830 -19.4321 -19.4321 -10.0599 -10.0599 -6.8707 -6.8707 -6.8450 -6.8450 -6.4241 -6.4241 -5.7769 -5.7769 -4.9792 -4.9792 -4.9370 -4.9370 -4.8498 -4.8498 -4.7645 -4.7645 -4.5222 -4.5222 -3.9404 -3.9404 -3.7648 -3.7648 -3.5168 -3.5168 -1.0706 -1.0706 -0.8424 -0.8424 4.4487 4.4487 4.4962 4.4962 4.5126 4.5126 6.1465 6.1465 6.5270 6.5270 6.5749 6.5749 7.0241 7.0241 7.0837 7.0837 7.1855 7.1855 9.1700 9.1700 9.5131 9.5131 10.0935 10.0935 10.5811 10.5811 10.7387 10.7387 11.0714 11.0714 k = 0.5000 0.2090 0.9465 ( 8344 PWs) bands (ev): -20.1882 -20.1882 -20.1847 -20.1847 -19.4881 -19.4881 -19.4280 -19.4280 -10.0396 -10.0396 -6.8722 -6.8722 -6.8428 -6.8428 -6.4172 -6.4172 -5.7895 -5.7895 -4.9730 -4.9730 -4.9373 -4.9373 -4.8543 -4.8543 -4.7606 -4.7606 -4.5221 -4.5221 -3.9555 -3.9555 -3.7940 -3.7940 -3.5329 -3.5329 -1.0590 -1.0590 -0.8443 -0.8443 4.4964 4.4964 4.5106 4.5106 4.5700 4.5700 6.1270 6.1270 6.4865 6.4865 6.5904 6.5904 7.0152 7.0152 7.0910 7.0910 7.1756 7.1756 9.1890 9.1890 9.5340 9.5340 10.0478 10.0478 10.6038 10.6038 10.7501 10.7501 11.0468 11.0468 k = 0.5000 0.2090 0.9169 ( 8356 PWs) bands (ev): -20.1887 -20.1887 -20.1846 -20.1846 -19.4935 -19.4935 -19.4236 -19.4236 -10.0179 -10.0179 -6.8737 -6.8737 -6.8403 -6.8403 -6.4103 -6.4103 -5.8031 -5.8031 -4.9666 -4.9666 -4.9370 -4.9370 -4.8587 -4.8587 -4.7568 -4.7568 -4.5223 -4.5223 -3.9715 -3.9715 -3.8246 -3.8246 -3.5488 -3.5488 -1.0471 -1.0471 -0.8468 -0.8468 4.5227 4.5227 4.5501 4.5501 4.6311 4.6311 6.1105 6.1105 6.4443 6.4443 6.6078 6.6078 7.0052 7.0052 7.0964 7.0964 7.1670 7.1670 9.2097 9.2097 9.5576 9.5576 10.0013 10.0013 10.6233 10.6233 10.7483 10.7483 11.0193 11.0193 k = 0.5000 0.2090 0.8873 ( 8352 PWs) bands (ev): -20.1893 -20.1893 -20.1844 -20.1844 -19.4992 -19.4992 -19.4190 -19.4190 -9.9948 -9.9948 -6.8752 -6.8752 -6.8378 -6.8378 -6.4036 -6.4036 -5.8175 -5.8175 -4.9606 -4.9606 -4.9359 -4.9359 -4.8629 -4.8629 -4.7531 -4.7531 -4.5232 -4.5232 -3.9887 -3.9887 -3.8559 -3.8559 -3.5642 -3.5642 -1.0349 -1.0349 -0.8500 -0.8500 4.5377 4.5377 4.6048 4.6048 4.6951 4.6951 6.0975 6.0975 6.4019 6.4019 6.6267 6.6267 6.9942 6.9942 7.0937 7.0937 7.1656 7.1656 9.2321 9.2321 9.5838 9.5838 9.9541 9.9541 10.6382 10.6382 10.7309 10.7309 10.9901 10.9901 k = 0.5000 0.2090 0.8577 ( 8358 PWs) bands (ev): -20.1899 -20.1899 -20.1843 -20.1843 -19.5052 -19.5052 -19.4141 -19.4141 -9.9703 -9.9703 -6.8769 -6.8769 -6.8350 -6.8350 -6.3973 -6.3973 -5.8327 -5.8327 -4.9556 -4.9556 -4.9332 -4.9332 -4.8669 -4.8669 -4.7495 -4.7495 -4.5248 -4.5248 -4.0070 -4.0070 -3.8874 -3.8874 -3.5791 -3.5791 -1.0226 -1.0226 -0.8540 -0.8540 4.5532 4.5532 4.6627 4.6627 4.7616 4.7616 6.0882 6.0882 6.3602 6.3602 6.6468 6.6468 6.9822 6.9822 7.0798 7.0798 7.1746 7.1746 9.2561 9.2561 9.6123 9.6123 9.9065 9.9065 10.6463 10.6463 10.6973 10.6973 10.9612 10.9612 k = 0.5000 0.2090 0.8281 ( 8366 PWs) bands (ev): -20.1905 -20.1905 -20.1841 -20.1841 -19.5114 -19.5114 -19.4090 -19.4090 -9.9447 -9.9447 -6.8786 -6.8786 -6.8322 -6.8322 -6.3915 -6.3915 -5.8484 -5.8484 -4.9520 -4.9520 -4.9288 -4.9288 -4.8706 -4.8706 -4.7462 -4.7462 -4.5274 -4.5274 -4.0264 -4.0264 -3.9183 -3.9183 -3.5934 -3.5934 -1.0104 -1.0104 -0.8588 -0.8588 4.5695 4.5695 4.7234 4.7234 4.8303 4.8303 6.0828 6.0828 6.3201 6.3201 6.6682 6.6682 6.9689 6.9689 7.0582 7.0582 7.1907 7.1907 9.2818 9.2818 9.6429 9.6429 9.8587 9.8587 10.6391 10.6391 10.6549 10.6549 10.9352 10.9352 k = 0.5000 0.2090 0.7986 ( 8354 PWs) bands (ev): -20.1911 -20.1911 -20.1840 -20.1840 -19.5177 -19.5177 -19.4037 -19.4037 -9.9180 -9.9180 -6.8804 -6.8804 -6.8292 -6.8292 -6.3865 -6.3865 -5.8646 -5.8646 -4.9498 -4.9498 -4.9227 -4.9227 -4.8736 -4.8736 -4.7430 -4.7430 -4.5312 -4.5312 -4.0469 -4.0469 -3.9478 -3.9478 -3.6070 -3.6070 -0.9984 -0.9984 -0.8644 -0.8644 4.5864 4.5864 4.7865 4.7865 4.9006 4.9006 6.0814 6.0814 6.2823 6.2823 6.6908 6.6908 6.9542 6.9542 7.0329 7.0329 7.2106 7.2106 9.3089 9.3089 9.6750 9.6750 9.8112 9.8112 10.5825 10.5825 10.6374 10.6374 10.9140 10.9140 k = 0.5000 0.2090 0.7690 ( 8342 PWs) bands (ev): -20.1918 -20.1918 -20.1838 -20.1838 -19.5242 -19.5242 -19.3983 -19.3983 -9.8903 -9.8903 -6.8822 -6.8822 -6.8261 -6.8261 -6.3825 -6.3825 -5.8811 -5.8811 -4.9486 -4.9486 -4.9162 -4.9162 -4.8754 -4.8754 -4.7401 -4.7401 -4.5365 -4.5365 -4.0685 -4.0685 -3.9753 -3.9753 -3.6200 -3.6200 -0.9868 -0.9868 -0.8708 -0.8708 4.6040 4.6040 4.8519 4.8519 4.9724 4.9724 6.0839 6.0839 6.2472 6.2472 6.7144 6.7144 6.9375 6.9375 7.0066 7.0066 7.2325 7.2325 9.3372 9.3372 9.7067 9.7067 9.7657 9.7657 10.5098 10.5098 10.6133 10.6133 10.8954 10.8954 k = 0.5000 0.2090 0.7394 ( 8334 PWs) bands (ev): -20.1925 -20.1925 -20.1837 -20.1837 -19.5309 -19.5309 -19.3927 -19.3927 -9.8617 -9.8617 -6.8840 -6.8840 -6.8228 -6.8228 -6.3797 -6.3797 -5.8976 -5.8976 -4.9479 -4.9479 -4.9102 -4.9102 -4.8755 -4.8755 -4.7374 -4.7374 -4.5438 -4.5438 -4.0907 -4.0907 -4.0002 -4.0002 -3.6321 -3.6321 -0.9757 -0.9757 -0.8781 -0.8781 4.6221 4.6221 4.9193 4.9193 5.0451 5.0451 6.0902 6.0902 6.2155 6.2155 6.7391 6.7391 6.9184 6.9184 6.9813 6.9813 7.2556 7.2556 9.3666 9.3666 9.7083 9.7083 9.7518 9.7518 10.4291 10.4291 10.5786 10.5786 10.8581 10.8581 k = 0.5000 0.2090 0.7098 ( 8342 PWs) bands (ev): -20.1932 -20.1932 -20.1835 -20.1835 -19.5376 -19.5376 -19.3870 -19.3870 -9.8323 -9.8323 -6.8859 -6.8859 -6.8195 -6.8195 -6.3784 -6.3784 -5.9140 -5.9140 -4.9476 -4.9476 -4.9061 -4.9061 -4.8726 -4.8726 -4.7349 -4.7349 -4.5532 -4.5532 -4.1130 -4.1130 -4.0226 -4.0226 -3.6435 -3.6435 -0.9653 -0.9653 -0.8861 -0.8861 4.6408 4.6408 4.9883 4.9883 5.1185 5.1185 6.0998 6.0998 6.1875 6.1875 6.7645 6.7645 6.8967 6.8967 6.9585 6.9585 7.2791 7.2791 9.3966 9.3966 9.6655 9.6655 9.7832 9.7832 10.3431 10.3431 10.5356 10.5356 10.7947 10.7947 k = 0.5000 0.2090 0.6803 ( 8346 PWs) bands (ev): -20.1938 -20.1938 -20.1834 -20.1834 -19.5444 -19.5444 -19.3813 -19.3813 -9.8024 -9.8024 -6.8878 -6.8878 -6.8161 -6.8161 -6.3787 -6.3787 -5.9299 -5.9299 -4.9476 -4.9476 -4.9042 -4.9042 -4.8668 -4.8668 -4.7328 -4.7328 -4.5651 -4.5651 -4.1344 -4.1344 -4.0425 -4.0425 -3.6539 -3.6539 -0.9561 -0.9561 -0.8946 -0.8946 4.6600 4.6600 5.0588 5.0588 5.1922 5.1922 6.1121 6.1121 6.1636 6.1636 6.7896 6.7896 6.8744 6.8744 6.9385 6.9385 7.3027 7.3027 9.4265 9.4265 9.6203 9.6203 9.8171 9.8171 10.2541 10.2541 10.4876 10.4876 10.7259 10.7259 k = 0.5000 0.2090 0.6507 ( 8354 PWs) bands (ev): -20.1945 -20.1945 -20.1833 -20.1833 -19.5511 -19.5511 -19.3755 -19.3755 -9.7718 -9.7718 -6.8897 -6.8897 -6.8126 -6.8126 -6.3808 -6.3808 -5.9452 -5.9452 -4.9481 -4.9481 -4.9038 -4.9038 -4.8587 -4.8587 -4.7309 -4.7309 -4.5797 -4.5797 -4.1543 -4.1543 -4.0603 -4.0603 -3.6634 -3.6634 -0.9486 -0.9486 -0.9030 -0.9030 4.6796 4.6796 5.1305 5.1305 5.2658 5.2658 6.1253 6.1253 6.1449 6.1449 6.8091 6.8091 6.8586 6.8586 6.9208 6.9208 7.3257 7.3257 9.4552 9.4552 9.5758 9.5758 9.8498 9.8498 10.1648 10.1648 10.4373 10.4373 10.6426 10.6426 k = 0.5000 0.2090 0.6211 ( 8362 PWs) bands (ev): -20.1952 -20.1952 -20.1831 -20.1831 -19.5579 -19.5579 -19.3697 -19.3697 -9.7410 -9.7410 -6.8916 -6.8916 -6.8091 -6.8091 -6.3849 -6.3849 -5.9597 -5.9597 -4.9490 -4.9490 -4.9037 -4.9037 -4.8494 -4.8494 -4.7293 -4.7293 -4.5969 -4.5969 -4.1720 -4.1720 -4.0760 -4.0760 -3.6718 -3.6718 -0.9443 -0.9443 -0.9097 -0.9097 4.6996 4.6996 5.2031 5.2031 5.3391 5.3391 6.1253 6.1253 6.1447 6.1447 6.8077 6.8077 6.8670 6.8670 6.9049 6.9049 7.3477 7.3477 9.4807 9.4807 9.5323 9.5323 9.8794 9.8794 10.0780 10.0780 10.3873 10.3873 10.5378 10.5378 k = 0.5000 0.2090 0.5915 ( 8352 PWs) bands (ev): -20.1959 -20.1959 -20.1830 -20.1830 -19.5646 -19.5646 -19.3639 -19.3639 -9.7099 -9.7099 -6.8935 -6.8935 -6.8055 -6.8055 -6.3911 -6.3911 -5.9730 -5.9730 -4.9506 -4.9506 -4.9036 -4.9036 -4.8394 -4.8394 -4.7281 -4.7281 -4.6165 -4.6165 -4.1873 -4.1873 -4.0900 -4.0900 -3.6792 -3.6792 -0.9460 -0.9460 -0.9120 -0.9120 4.7199 4.7199 5.2762 5.2762 5.4116 5.4116 6.1154 6.1154 6.1585 6.1585 6.7945 6.7945 6.8850 6.8850 6.8980 6.8980 7.3682 7.3682 9.4896 9.4896 9.5000 9.5000 9.9037 9.9037 9.9983 9.9983 10.3398 10.3398 10.4293 10.4293 k = 0.5000 0.2090 0.5620 ( 8354 PWs) bands (ev): -20.1966 -20.1966 -20.1829 -20.1829 -19.5712 -19.5712 -19.3581 -19.3581 -9.6787 -9.6787 -6.8953 -6.8953 -6.8019 -6.8019 -6.3994 -6.3994 -5.9852 -5.9852 -4.9529 -4.9529 -4.9031 -4.9031 -4.8292 -4.8292 -4.7272 -4.7272 -4.6382 -4.6382 -4.2000 -4.2000 -4.1023 -4.1023 -3.6855 -3.6855 -0.9539 -0.9539 -0.9099 -0.9099 4.7405 4.7405 5.3496 5.3496 5.4832 5.4832 6.1089 6.1089 6.1710 6.1710 6.7845 6.7845 6.8731 6.8731 6.9266 6.9266 7.3867 7.3867 9.4489 9.4489 9.5056 9.5056 9.9184 9.9184 9.9344 9.9344 10.2911 10.2911 10.3279 10.3279 k = 0.5000 0.2090 0.5324 ( 8350 PWs) bands (ev): -20.1973 -20.1973 -20.1828 -20.1828 -19.5776 -19.5776 -19.3525 -19.3525 -9.6475 -9.6475 -6.8972 -6.8972 -6.7983 -6.7983 -6.4098 -6.4098 -5.9960 -5.9960 -4.9561 -4.9561 -4.9020 -4.9020 -4.8189 -4.8189 -4.7267 -4.7267 -4.6612 -4.6612 -4.2105 -4.2105 -4.1130 -4.1130 -3.6906 -3.6906 -0.9651 -0.9651 -0.9058 -0.9058 4.7612 4.7612 5.4228 5.4228 5.5534 5.5534 6.1066 6.1066 6.1799 6.1799 6.7822 6.7822 6.8591 6.8591 6.9603 6.9603 7.4025 7.4025 9.4093 9.4093 9.4900 9.4900 9.8872 9.8872 9.9285 9.9285 10.2003 10.2003 10.2790 10.2790 k = 0.5000 0.2090 0.5028 ( 8370 PWs) bands (ev): -20.1980 -20.1980 -20.1827 -20.1827 -19.5840 -19.5840 -19.3469 -19.3469 -9.6166 -9.6166 -6.8990 -6.8990 -6.7948 -6.7948 -6.4222 -6.4222 -6.0055 -6.0055 -4.9603 -4.9603 -4.9005 -4.9005 -4.8088 -4.8088 -4.7269 -4.7269 -4.6846 -4.6846 -4.2191 -4.2191 -4.1221 -4.1221 -3.6944 -3.6944 -0.9780 -0.9780 -0.9014 -0.9014 4.7821 4.7821 5.4956 5.4956 5.6220 5.6220 6.1081 6.1081 6.1841 6.1841 6.7897 6.7897 6.8457 6.8457 6.9961 6.9961 7.4151 7.4151 9.3709 9.3709 9.4482 9.4482 9.8716 9.8716 9.9235 9.9235 10.0942 10.0942 10.2589 10.2589 k = 0.5000 0.2090 0.4732 ( 8360 PWs) bands (ev): -20.1986 -20.1986 -20.1826 -20.1826 -19.5901 -19.5901 -19.3414 -19.3414 -9.5861 -9.5861 -6.9008 -6.9008 -6.7912 -6.7912 -6.4363 -6.4363 -6.0137 -6.0137 -4.9657 -4.9657 -4.8984 -4.8984 -4.7989 -4.7989 -4.7288 -4.7288 -4.7065 -4.7065 -4.2263 -4.2263 -4.1298 -4.1298 -3.6970 -3.6970 -0.9917 -0.9917 -0.8975 -0.8975 4.8030 4.8030 5.5676 5.5676 5.6888 5.6888 6.1123 6.1123 6.1840 6.1840 6.8059 6.8059 6.8349 6.8349 7.0338 7.0338 7.4240 7.4240 9.3337 9.3337 9.3846 9.3846 9.8793 9.8793 9.9085 9.9085 9.9897 9.9897 10.2510 10.2510 k = 0.5000 0.2090 0.4436 ( 8358 PWs) bands (ev): -20.1992 -20.1992 -20.1825 -20.1825 -19.5960 -19.5960 -19.3362 -19.3362 -9.5562 -9.5562 -6.9026 -6.9026 -6.7878 -6.7878 -6.4517 -6.4517 -6.0207 -6.0207 -4.9723 -4.9723 -4.8959 -4.8959 -4.7895 -4.7895 -4.7389 -4.7389 -4.7197 -4.7197 -4.2323 -4.2323 -4.1361 -4.1361 -3.6982 -3.6982 -1.0060 -1.0060 -0.8940 -0.8940 4.8237 4.8237 5.6382 5.6382 5.7533 5.7533 6.1166 6.1166 6.1822 6.1822 6.8117 6.8117 6.8458 6.8458 7.0733 7.0733 7.4284 7.4284 9.2945 9.2945 9.3104 9.3104 9.8759 9.8759 9.8953 9.8953 9.9069 9.9069 10.2505 10.2505 k = 0.5000 0.2090 0.4141 ( 8370 PWs) bands (ev): -20.1998 -20.1998 -20.1824 -20.1824 -19.6017 -19.6017 -19.3311 -19.3311 -9.5270 -9.5270 -6.9043 -6.9043 -6.7843 -6.7843 -6.4684 -6.4684 -6.0266 -6.0266 -4.9804 -4.9804 -4.8930 -4.8930 -4.7809 -4.7809 -4.7572 -4.7572 -4.7230 -4.7230 -4.2377 -4.2377 -4.1412 -4.1412 -3.6983 -3.6983 -1.0205 -1.0205 -0.8912 -0.8912 4.8442 4.8442 5.7070 5.7070 5.8153 5.8153 6.1157 6.1157 6.1851 6.1851 6.8014 6.8014 6.8832 6.8832 7.1145 7.1145 7.4278 7.4278 9.2195 9.2195 9.2660 9.2660 9.7862 9.7862 9.8662 9.8662 9.9371 9.9371 10.2510 10.2510 k = 0.5000 0.2090 0.3845 ( 8358 PWs) bands (ev): -20.2004 -20.2004 -20.1823 -20.1823 -19.6071 -19.6071 -19.3262 -19.3262 -9.4987 -9.4987 -6.9059 -6.9059 -6.7810 -6.7810 -6.4857 -6.4857 -6.0316 -6.0316 -4.9900 -4.9900 -4.8899 -4.8899 -4.7805 -4.7805 -4.7680 -4.7680 -4.7243 -4.7243 -4.2424 -4.2424 -4.1451 -4.1451 -3.6971 -3.6971 -1.0350 -1.0350 -0.8891 -0.8891 4.8643 4.8643 5.7735 5.7735 5.8746 5.8746 6.1058 6.1058 6.1977 6.1977 6.7895 6.7895 6.9309 6.9309 7.1577 7.1577 7.4219 7.4219 9.1319 9.1319 9.2320 9.2320 9.6932 9.6932 9.8442 9.8442 9.9747 9.9747 10.2410 10.2410 k = 0.5000 0.2090 0.3549 ( 8370 PWs) bands (ev): -20.2009 -20.2009 -20.1822 -20.1822 -19.6122 -19.6122 -19.3216 -19.3216 -9.4715 -9.4715 -6.9074 -6.9074 -6.7778 -6.7778 -6.5035 -6.5035 -6.0359 -6.0359 -5.0011 -5.0011 -4.8865 -4.8865 -4.7957 -4.7957 -4.7619 -4.7619 -4.7252 -4.7252 -4.2468 -4.2468 -4.1482 -4.1482 -3.6948 -3.6948 -1.0494 -1.0494 -0.8875 -0.8875 4.8838 4.8838 5.8370 5.8370 5.9308 5.9308 6.0892 6.0892 6.2193 6.2193 6.7777 6.7777 6.9854 6.9854 7.2027 7.2027 7.4104 7.4104 9.0428 9.0428 9.1994 9.1994 9.6048 9.6048 9.8262 9.8262 10.0152 10.0152 10.2221 10.2221 k = 0.5000 0.2090 0.3253 ( 8368 PWs) bands (ev): -20.2015 -20.2015 -20.1822 -20.1822 -19.6169 -19.6169 -19.3172 -19.3172 -9.4456 -9.4456 -6.9089 -6.9089 -6.7747 -6.7747 -6.5214 -6.5214 -6.0394 -6.0394 -5.0136 -5.0136 -4.8830 -4.8830 -4.8101 -4.8101 -4.7548 -4.7548 -4.7260 -4.7260 -4.2509 -4.2509 -4.1506 -4.1506 -3.6915 -3.6915 -1.0635 -1.0635 -0.8865 -0.8865 4.9026 4.9026 5.8964 5.8964 5.9834 5.9834 6.0702 6.0702 6.2473 6.2473 6.7665 6.7665 7.0446 7.0446 7.2498 7.2498 7.3931 7.3931 8.9540 8.9540 9.1675 9.1675 9.5218 9.5218 9.8136 9.8136 10.0569 10.0569 10.2038 10.2038 k = 0.5000 0.2090 0.2958 ( 8352 PWs) bands (ev): -20.2019 -20.2019 -20.1821 -20.1821 -19.6214 -19.6214 -19.3132 -19.3132 -9.4212 -9.4212 -6.9103 -6.9103 -6.7717 -6.7717 -6.5389 -6.5389 -6.0424 -6.0424 -5.0271 -5.0271 -4.8795 -4.8795 -4.8222 -4.8222 -4.7484 -4.7484 -4.7264 -4.7264 -4.2547 -4.2547 -4.1525 -4.1525 -3.6874 -3.6874 -1.0770 -1.0770 -0.8859 -0.8859 4.9205 4.9205 5.9490 5.9490 6.0299 6.0299 6.0556 6.0556 6.2803 6.2803 6.7560 6.7560 7.1063 7.1063 7.2986 7.2986 7.3708 7.3708 8.8664 8.8664 9.1361 9.1361 9.4449 9.4449 9.8069 9.8069 10.0985 10.0985 10.1888 10.1888 k = 0.5000 0.2090 0.2662 ( 8344 PWs) bands (ev): -20.2024 -20.2024 -20.1821 -20.1821 -19.6255 -19.6255 -19.3094 -19.3094 -9.3984 -9.3984 -6.9116 -6.9116 -6.7688 -6.7688 -6.5559 -6.5559 -6.0449 -6.0449 -5.0412 -5.0412 -4.8759 -4.8759 -4.8321 -4.8321 -4.7434 -4.7434 -4.7261 -4.7261 -4.2581 -4.2581 -4.1540 -4.1540 -3.6827 -3.6827 -1.0899 -1.0899 -0.8857 -0.8857 4.9373 4.9373 5.9826 5.9826 6.0457 6.0457 6.0827 6.0827 6.3176 6.3176 6.7463 6.7463 7.1678 7.1678 7.3361 7.3361 7.3578 7.3578 8.7809 8.7809 9.1048 9.1048 9.3745 9.3745 9.8063 9.8063 10.1376 10.1376 10.1789 10.1789 k = 0.5000 0.2090 0.2366 ( 8334 PWs) bands (ev): -20.2028 -20.2028 -20.1820 -20.1820 -19.6291 -19.6291 -19.3060 -19.3060 -9.3775 -9.3775 -6.9128 -6.9128 -6.7661 -6.7661 -6.5720 -6.5720 -6.0471 -6.0471 -5.0553 -5.0553 -4.8724 -4.8724 -4.8399 -4.8399 -4.7403 -4.7403 -4.7245 -4.7245 -4.2613 -4.2613 -4.1553 -4.1553 -3.6777 -3.6777 -1.1019 -1.1019 -0.8858 -0.8858 4.9529 4.9529 5.9803 5.9803 6.0757 6.0757 6.1239 6.1239 6.3584 6.3584 6.7376 6.7376 7.2219 7.2219 7.3153 7.3153 7.4068 7.4068 8.6981 8.6981 9.0735 9.0735 9.3111 9.3111 9.8114 9.8114 10.1585 10.1585 10.1889 10.1889 k = 0.5000 0.2090 0.2070 ( 8350 PWs) bands (ev): -20.2031 -20.2031 -20.1820 -20.1820 -19.6324 -19.6324 -19.3029 -19.3029 -9.3585 -9.3585 -6.9138 -6.9138 -6.7636 -6.7636 -6.5870 -6.5870 -6.0489 -6.0489 -5.0689 -5.0689 -4.8691 -4.8691 -4.8461 -4.8461 -4.7393 -4.7393 -4.7215 -4.7215 -4.2641 -4.2641 -4.1564 -4.1564 -3.6724 -3.6724 -1.1129 -1.1129 -0.8861 -0.8861 4.9670 4.9670 5.9645 5.9645 6.1149 6.1149 6.1619 6.1619 6.4021 6.4021 6.7301 6.7301 7.2362 7.2362 7.3227 7.3227 7.4622 7.4622 8.6186 8.6186 9.0419 9.0419 9.2552 9.2552 9.8215 9.8215 10.1564 10.1564 10.2225 10.2225 k = 0.5000 0.2090 0.1775 ( 8350 PWs) bands (ev): -20.2034 -20.2034 -20.1820 -20.1820 -19.6353 -19.6353 -19.3002 -19.3002 -9.3417 -9.3417 -6.9148 -6.9148 -6.7612 -6.7612 -6.6006 -6.6006 -6.0504 -6.0504 -5.0816 -5.0816 -4.8660 -4.8660 -4.8508 -4.8508 -4.7396 -4.7396 -4.7178 -4.7178 -4.2666 -4.2666 -4.1573 -4.1573 -3.6673 -3.6673 -1.1228 -1.1228 -0.8866 -0.8866 4.9795 4.9795 5.9473 5.9473 6.1516 6.1516 6.1959 6.1959 6.4478 6.4478 6.7242 6.7242 7.2036 7.2036 7.3690 7.3690 7.5189 7.5189 8.5433 8.5433 9.0102 9.0102 9.2073 9.2073 9.8353 9.8353 10.1535 10.1535 10.2566 10.2566 k = 0.5000 0.2090 0.1479 ( 8350 PWs) bands (ev): -20.2037 -20.2037 -20.1820 -20.1820 -19.6378 -19.6378 -19.2979 -19.2979 -9.3273 -9.3273 -6.9156 -6.9156 -6.7591 -6.7591 -6.6126 -6.6126 -6.0516 -6.0516 -5.0929 -5.0929 -4.8632 -4.8632 -4.8545 -4.8545 -4.7404 -4.7404 -4.7143 -4.7143 -4.2687 -4.2687 -4.1582 -4.1582 -3.6625 -3.6625 -1.1314 -1.1314 -0.8871 -0.8871 4.9904 4.9904 5.9315 5.9315 6.1836 6.1836 6.2256 6.2256 6.4944 6.4944 6.7204 6.7204 7.1592 7.1592 7.4192 7.4192 7.5750 7.5750 8.4733 8.4733 8.9790 8.9790 9.1674 9.1674 9.8511 9.8511 10.1521 10.1521 10.2878 10.2878 k = 0.5000 0.2090 0.1183 ( 8356 PWs) bands (ev): -20.2039 -20.2039 -20.1819 -20.1819 -19.6398 -19.6398 -19.2960 -19.2960 -9.3152 -9.3152 -6.9162 -6.9162 -6.7573 -6.7573 -6.6227 -6.6227 -6.0526 -6.0526 -5.1025 -5.1025 -4.8607 -4.8607 -4.8572 -4.8572 -4.7413 -4.7413 -4.7112 -4.7112 -4.2704 -4.2704 -4.1589 -4.1589 -3.6582 -3.6582 -1.1386 -1.1386 -0.8877 -0.8877 4.9994 4.9994 5.9179 5.9179 6.2100 6.2100 6.2507 6.2507 6.5399 6.5399 6.7196 6.7196 7.1111 7.1111 7.4654 7.4654 7.6281 7.6281 8.4099 8.4099 8.9496 8.9496 9.1355 9.1355 9.8673 9.8673 10.1521 10.1521 10.3152 10.3152 k = 0.5000 0.2090 0.0887 ( 8348 PWs) bands (ev): -20.2041 -20.2041 -20.1819 -20.1819 -19.6414 -19.6414 -19.2945 -19.2945 -9.3057 -9.3057 -6.9168 -6.9168 -6.7558 -6.7558 -6.6308 -6.6308 -6.0534 -6.0534 -5.1103 -5.1103 -4.8593 -4.8593 -4.8586 -4.8586 -4.7422 -4.7422 -4.7086 -4.7086 -4.2718 -4.2718 -4.1595 -4.1595 -3.6547 -3.6547 -1.1443 -1.1443 -0.8881 -0.8881 5.0066 5.0066 5.9069 5.9069 6.2306 6.2306 6.2707 6.2707 6.5808 6.5808 6.7237 6.7237 7.0626 7.0626 7.5050 7.5050 7.6752 7.6752 8.3552 8.3552 8.9236 8.9236 9.1113 9.1113 9.8821 9.8821 10.1528 10.1528 10.3377 10.3377 k = 0.5000 0.2090 0.0592 ( 8348 PWs) bands (ev): -20.2042 -20.2042 -20.1819 -20.1819 -19.6426 -19.6426 -19.2935 -19.2935 -9.2989 -9.2989 -6.9172 -6.9172 -6.7546 -6.7546 -6.6368 -6.6368 -6.0540 -6.0540 -5.1159 -5.1159 -4.8605 -4.8605 -4.8572 -4.8572 -4.7429 -4.7429 -4.7068 -4.7068 -4.2728 -4.2728 -4.1599 -4.1599 -3.6521 -3.6521 -1.1485 -1.1485 -0.8885 -0.8885 5.0117 5.0117 5.8989 5.8989 6.2452 6.2452 6.2853 6.2853 6.6121 6.6121 6.7346 6.7346 7.0175 7.0175 7.5357 7.5357 7.7130 7.7130 8.3120 8.3120 8.9030 8.9030 9.0942 9.0942 9.8939 9.8939 10.1539 10.1539 10.3535 10.3535 k = 0.5000 0.2090 0.0296 ( 8352 PWs) bands (ev): -20.2043 -20.2043 -20.1819 -20.1819 -19.6432 -19.6432 -19.2928 -19.2928 -9.2947 -9.2947 -6.9174 -6.9174 -6.7539 -6.7539 -6.6404 -6.6404 -6.0543 -6.0543 -5.1194 -5.1194 -4.8613 -4.8613 -4.8563 -4.8563 -4.7434 -4.7434 -4.7057 -4.7057 -4.2734 -4.2734 -4.1602 -4.1602 -3.6505 -3.6505 -1.1510 -1.1510 -0.8887 -0.8887 5.0148 5.0148 5.8941 5.8941 6.2540 6.2540 6.2943 6.2943 6.6300 6.6300 6.7500 6.7500 6.9824 6.9824 7.5553 7.5553 7.7379 7.7379 8.2838 8.2838 8.8898 8.8898 9.0841 9.0841 9.9015 9.9015 10.1547 10.1547 10.3603 10.3603 k = 0.5000 0.2090 0.0000 ( 8360 PWs) bands (ev): -20.2043 -20.2043 -20.1819 -20.1819 -19.6435 -19.6435 -19.2926 -19.2926 -9.2934 -9.2934 -6.9175 -6.9175 -6.7536 -6.7536 -6.6416 -6.6416 -6.0544 -6.0544 -5.1205 -5.1205 -4.8615 -4.8615 -4.8560 -4.8560 -4.7436 -4.7436 -4.7053 -4.7053 -4.2736 -4.2736 -4.1603 -4.1603 -3.6499 -3.6499 -1.1518 -1.1518 -0.8888 -0.8888 5.0159 5.0159 5.8925 5.8925 6.2570 6.2570 6.2972 6.2972 6.6354 6.6354 6.7581 6.7581 6.9683 6.9683 7.5620 7.5620 7.7466 7.7466 8.2739 8.2739 8.8852 8.8852 9.0808 9.0808 9.9041 9.9041 10.1551 10.1551 10.3612 10.3612 k = 0.0000 0.0000 1.2963 ( 8338 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8622 -6.8622 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0137 -5.0137 -4.9283 -4.9283 -4.8108 -4.8108 -4.8020 -4.8020 -4.5282 -4.5282 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1406 -1.1406 -0.8400 -0.8400 4.1803 4.1803 4.1858 4.1858 4.4266 4.4266 6.3557 6.3557 6.4845 6.4845 6.7396 6.7396 7.0579 7.0579 7.1214 7.1214 7.1749 7.1749 9.0734 9.0734 9.4353 9.4353 10.3668 10.3668 10.4336 10.4336 10.5322 10.5322 11.1071 11.1071 k = 0.0250 0.0105 1.2963 ( 8340 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8622 -6.8622 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0138 -5.0138 -4.9278 -4.9278 -4.8151 -4.8151 -4.7981 -4.7981 -4.5282 -4.5282 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1405 -1.1405 -0.8401 -0.8401 4.1803 4.1803 4.1858 4.1858 4.4267 4.4267 6.3563 6.3563 6.4836 6.4836 6.7373 6.7373 7.0591 7.0591 7.1216 7.1216 7.1761 7.1761 9.0754 9.0754 9.4327 9.4327 10.3680 10.3680 10.4340 10.4340 10.5321 10.5321 11.0712 11.0712 k = 0.0500 0.0209 1.2963 ( 8332 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8622 -6.8622 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0141 -5.0141 -4.9263 -4.9263 -4.8223 -4.8223 -4.7920 -4.7920 -4.5284 -4.5284 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1402 -1.1402 -0.8404 -0.8404 4.1803 4.1803 4.1858 4.1858 4.4273 4.4273 6.3581 6.3581 6.4810 6.4810 6.7307 6.7307 7.0623 7.0623 7.1223 7.1223 7.1797 7.1797 9.0812 9.0812 9.4250 9.4250 10.3715 10.3715 10.4351 10.4351 10.5318 10.5318 11.0244 11.0244 k = 0.0750 0.0314 1.2963 ( 8324 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8623 -6.8623 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0145 -5.0145 -4.9239 -4.9239 -4.8300 -4.8300 -4.7861 -4.7861 -4.5286 -4.5286 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1398 -1.1398 -0.8409 -0.8409 4.1803 4.1803 4.1858 4.1858 4.4281 4.4281 6.3610 6.3610 6.4767 6.4767 6.7209 6.7209 7.0668 7.0668 7.1232 7.1232 7.1856 7.1856 9.0909 9.0909 9.4126 9.4126 10.3772 10.3772 10.4368 10.4368 10.5314 10.5314 10.9781 10.9781 k = 0.1000 0.0418 1.2963 ( 8318 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8623 -6.8623 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0150 -5.0150 -4.9206 -4.9206 -4.8379 -4.8379 -4.7806 -4.7806 -4.5290 -4.5290 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1392 -1.1392 -0.8415 -0.8415 4.1803 4.1803 4.1858 4.1858 4.4292 4.4292 6.3651 6.3651 6.4710 6.4710 6.7094 6.7094 7.0715 7.0715 7.1242 7.1242 7.1934 7.1934 9.1041 9.1041 9.3958 9.3958 10.3849 10.3849 10.4390 10.4390 10.5308 10.5308 10.9335 10.9335 k = 0.1250 0.0523 1.2963 ( 8302 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8623 -6.8623 -6.8576 -6.8576 -6.4690 -6.4690 -5.7097 -5.7097 -5.0156 -5.0156 -4.9166 -4.9166 -4.8458 -4.8458 -4.7758 -4.7758 -4.5293 -4.5293 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1385 -1.1385 -0.8422 -0.8422 4.1804 4.1804 4.1858 4.1858 4.4304 4.4304 6.3702 6.3702 6.4639 6.4639 6.6974 6.6974 7.0758 7.0758 7.1250 7.1250 7.2023 7.2023 9.1208 9.1208 9.3753 9.3753 10.3940 10.3940 10.4414 10.4414 10.5301 10.5301 10.8919 10.8919 k = 0.1500 0.0627 1.2963 ( 8306 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8623 -6.8623 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0161 -5.0161 -4.9118 -4.9118 -4.8538 -4.8538 -4.7718 -4.7718 -4.5297 -4.5297 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1379 -1.1379 -0.8429 -0.8429 4.1804 4.1804 4.1858 4.1858 4.4315 4.4315 6.3763 6.3763 6.4559 6.4559 6.6861 6.6861 7.0795 7.0795 7.1257 7.1257 7.2114 7.2114 9.1405 9.1405 9.3518 9.3518 10.4040 10.4040 10.4439 10.4439 10.5294 10.5294 10.8543 10.8543 k = 0.1750 0.0732 1.2963 ( 8310 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8624 -6.8624 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0166 -5.0166 -4.9066 -4.9066 -4.8615 -4.8615 -4.7685 -4.7685 -4.5300 -4.5300 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1373 -1.1373 -0.8436 -0.8436 4.1804 4.1804 4.1858 4.1858 4.4326 4.4326 6.3829 6.3829 6.4474 6.4474 6.6764 6.6764 7.0824 7.0824 7.1262 7.1262 7.2197 7.2197 9.1628 9.1628 9.3260 9.3260 10.4139 10.4139 10.4464 10.4464 10.5287 10.5287 10.8223 10.8223 k = 0.2000 0.0836 1.2963 ( 8328 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8624 -6.8624 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0169 -5.0169 -4.9010 -4.9010 -4.8688 -4.8688 -4.7662 -4.7662 -4.5302 -4.5302 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1369 -1.1369 -0.8441 -0.8441 4.1804 4.1804 4.1858 4.1858 4.4334 4.4334 6.3899 6.3899 6.4390 6.4390 6.6691 6.6691 7.0845 7.0845 7.1265 7.1265 7.2263 7.2263 9.1874 9.1874 9.2988 9.2988 10.4223 10.4223 10.4486 10.4486 10.5282 10.5282 10.7975 10.7975 k = 0.2250 0.0941 1.2963 ( 8338 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8624 -6.8624 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0172 -5.0172 -4.8956 -4.8956 -4.8752 -4.8752 -4.7647 -4.7647 -4.5304 -4.5304 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1366 -1.1366 -0.8444 -0.8444 4.1804 4.1804 4.1858 4.1858 4.4340 4.4340 6.3960 6.3960 6.4319 6.4319 6.6646 6.6646 7.0857 7.0857 7.1266 7.1266 7.2305 7.2305 9.2136 9.2136 9.2709 9.2709 10.4279 10.4279 10.4503 10.4503 10.5278 10.5278 10.7817 10.7817 k = 0.2500 0.1045 1.2963 ( 8328 PWs) bands (ev): -20.1856 -20.1856 -20.1849 -20.1849 -19.4547 -19.4547 -19.4547 -19.4547 -10.1696 -10.1696 -6.8624 -6.8624 -6.8575 -6.8575 -6.4690 -6.4690 -5.7097 -5.7097 -5.0172 -5.0172 -4.8929 -4.8929 -4.8784 -4.8784 -4.7642 -4.7642 -4.5304 -4.5304 -3.8587 -3.8587 -3.6059 -3.6059 -3.3970 -3.3970 -1.1365 -1.1365 -0.8445 -0.8445 4.1804 4.1804 4.1858 4.1858 4.4342 4.4342 6.3987 6.3987 6.4288 6.4288 6.6630 6.6630 7.0861 7.0861 7.1267 7.1267 7.2320 7.2320 9.2355 9.2355 9.2484 9.2484 10.4298 10.4298 10.4510 10.4510 10.5277 10.5277 10.7762 10.7762 Writing output data file Ba4As2O.save init_run : 1.05s CPU 1.38s WALL ( 1 calls) electrons : 639.41s CPU 643.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.27s WALL ( 1 calls) Called by electrons: c_bands : 639.40s CPU 643.25s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.09s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.13s WALL ( 269 calls) cegterg : 598.98s CPU 602.06s WALL ( 594 calls) Called by sum_band: Called by *egterg: h_psi : 484.86s CPU 487.05s WALL ( 9539 calls) s_psi : 11.82s CPU 11.91s WALL ( 9539 calls) g_psi : 0.60s CPU 0.60s WALL ( 8676 calls) cdiaghg : 89.21s CPU 90.26s WALL ( 8945 calls) cegterg:over : 17.06s CPU 16.87s WALL ( 8676 calls) cegterg:upda : 16.44s CPU 16.71s WALL ( 8676 calls) cegterg:last : 8.39s CPU 8.50s WALL ( 1401 calls) cdiaghg:chol : 4.98s CPU 5.30s WALL ( 8945 calls) cdiaghg:inve : 3.65s CPU 3.69s WALL ( 8945 calls) cdiaghg:para : 6.20s CPU 6.22s WALL ( 17890 calls) Called by h_psi: h_psi:vloc : 457.41s CPU 459.41s WALL ( 9539 calls) h_psi:vnl : 26.69s CPU 26.91s WALL ( 9539 calls) add_vuspsi : 13.71s CPU 13.65s WALL ( 9539 calls) General routines calbec : 12.96s CPU 13.23s WALL ( 9539 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 422.96s CPU 425.38s WALL ( 1030828 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.28s CPU 0.38s WALL ( 538 calls) Parallel routines fft_scatter : 96.33s CPU 97.27s WALL ( 1030851 calls) PWSCF : 11m 6.62s CPU 11m30.83s WALL This run was terminated on: 19:37:15 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=