Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 5:27 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: ./Ba.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 42 33 9 1423 978 151 Max 43 34 10 1430 1006 156 Sum 1543 1221 355 51399 35821 5557 bravais-lattice index = 14 lattice parameter (alat) = 12.1098 a.u. unit-cell volume = 1133.8851 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.109753 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.136780 celldm(5)= -0.136780 celldm(6)= -0.726439 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.726439 0.687231 0.000000 ) a(3) = ( -0.136780 -0.343615 0.929096 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.057053 0.538157 ) b(2) = ( 0.000000 1.455115 0.538157 ) b(3) = ( 0.000000 0.000000 1.076315 ) 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.8632196 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3436153 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.8632196 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.3436153 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0199318), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0398635), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0597953), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0797270), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0996588), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1195905), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1395223), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1594541), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1793858), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1993176), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2192493), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2391811), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2591128), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.2790446), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.2989764), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3189081), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3388399), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3587716), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.3787034), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.3986351), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4185669), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4384987), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4584304), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.4783622), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.4982939), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5182257), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5381574), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.5381574), wk = 0.0036765 k( 30) = ( -0.0185185 0.0073715 0.5381574), wk = 0.0036765 k( 31) = ( -0.0370370 0.0147431 0.5381574), wk = 0.0036765 k( 32) = ( -0.0555556 0.0221146 0.5381574), wk = 0.0036765 k( 33) = ( -0.0740741 0.0294861 0.5381574), wk = 0.0036765 k( 34) = ( -0.0925926 0.0368576 0.5381574), wk = 0.0036765 k( 35) = ( -0.1111111 0.0442292 0.5381574), wk = 0.0036765 k( 36) = ( -0.1296296 0.0516007 0.5381574), wk = 0.0036765 k( 37) = ( -0.1481482 0.0589722 0.5381574), wk = 0.0036765 k( 38) = ( -0.1666667 0.0663437 0.5381574), wk = 0.0036765 k( 39) = ( -0.1851852 0.0737153 0.5381574), wk = 0.0036765 k( 40) = ( -0.2037037 0.0810868 0.5381574), wk = 0.0036765 k( 41) = ( -0.2222222 0.0884583 0.5381574), wk = 0.0036765 k( 42) = ( -0.2407407 0.0958299 0.5381574), wk = 0.0036765 k( 43) = ( -0.2592593 0.1032014 0.5381574), wk = 0.0036765 k( 44) = ( -0.2777778 0.1105729 0.5381574), wk = 0.0036765 k( 45) = ( -0.2962963 0.1179444 0.5381574), wk = 0.0036765 k( 46) = ( -0.3148148 0.1253160 0.5381574), wk = 0.0036765 k( 47) = ( -0.3333333 0.1326875 0.5381574), wk = 0.0036765 k( 48) = ( -0.3518519 0.1400590 0.5381574), wk = 0.0036765 k( 49) = ( -0.3703704 0.1474306 0.5381574), wk = 0.0036765 k( 50) = ( -0.3888889 0.1548021 0.5381574), wk = 0.0036765 k( 51) = ( -0.4074074 0.1621736 0.5381574), wk = 0.0036765 k( 52) = ( -0.4259259 0.1695451 0.5381574), wk = 0.0036765 k( 53) = ( -0.4444444 0.1769167 0.5381574), wk = 0.0036765 k( 54) = ( -0.4629630 0.1842882 0.5381574), wk = 0.0036765 k( 55) = ( -0.4814815 0.1916597 0.5381574), wk = 0.0036765 k( 56) = ( -0.5000000 0.1990312 0.5381574), wk = 0.0036765 k( 57) = ( -0.5000000 0.1990312 0.5381574), wk = 0.0036765 k( 58) = ( -0.4868421 0.1937936 0.5239954), wk = 0.0036765 k( 59) = ( -0.4736842 0.1885559 0.5098334), wk = 0.0036765 k( 60) = ( -0.4605263 0.1833183 0.4956713), wk = 0.0036765 k( 61) = ( -0.4473684 0.1780806 0.4815093), wk = 0.0036765 k( 62) = ( -0.4342105 0.1728429 0.4673473), wk = 0.0036765 k( 63) = ( -0.4210526 0.1676053 0.4531852), wk = 0.0036765 k( 64) = ( -0.4078947 0.1623676 0.4390232), wk = 0.0036765 k( 65) = ( -0.3947368 0.1571299 0.4248611), wk = 0.0036765 k( 66) = ( -0.3815789 0.1518923 0.4106991), wk = 0.0036765 k( 67) = ( -0.3684211 0.1466546 0.3965371), wk = 0.0036765 k( 68) = ( -0.3552632 0.1414169 0.3823750), wk = 0.0036765 k( 69) = ( -0.3421053 0.1361793 0.3682130), wk = 0.0036765 k( 70) = ( -0.3289474 0.1309416 0.3540510), wk = 0.0036765 k( 71) = ( -0.3157895 0.1257039 0.3398889), wk = 0.0036765 k( 72) = ( -0.3026316 0.1204663 0.3257269), wk = 0.0036765 k( 73) = ( -0.2894737 0.1152286 0.3115648), wk = 0.0036765 k( 74) = ( -0.2763158 0.1099910 0.2974028), wk = 0.0036765 k( 75) = ( -0.2631579 0.1047533 0.2832408), wk = 0.0036765 k( 76) = ( -0.2500000 0.0995156 0.2690787), wk = 0.0036765 k( 77) = ( -0.2368421 0.0942780 0.2549167), wk = 0.0036765 k( 78) = ( -0.2236842 0.0890403 0.2407546), wk = 0.0036765 k( 79) = ( -0.2105263 0.0838026 0.2265926), wk = 0.0036765 k( 80) = ( -0.1973684 0.0785650 0.2124306), wk = 0.0036765 k( 81) = ( -0.1842105 0.0733273 0.1982685), wk = 0.0036765 k( 82) = ( -0.1710526 0.0680896 0.1841065), wk = 0.0036765 k( 83) = ( -0.1578947 0.0628520 0.1699445), wk = 0.0036765 k( 84) = ( -0.1447368 0.0576143 0.1557824), wk = 0.0036765 k( 85) = ( -0.1315790 0.0523766 0.1416204), wk = 0.0036765 k( 86) = ( -0.1184210 0.0471390 0.1274583), wk = 0.0036765 k( 87) = ( -0.1052632 0.0419013 0.1132963), wk = 0.0036765 k( 88) = ( -0.0921053 0.0366636 0.0991343), wk = 0.0036765 k( 89) = ( -0.0789474 0.0314260 0.0849722), wk = 0.0036765 k( 90) = ( -0.0657895 0.0261883 0.0708102), wk = 0.0036765 k( 91) = ( -0.0526316 0.0209507 0.0566482), wk = 0.0036765 k( 92) = ( -0.0394737 0.0157130 0.0424861), wk = 0.0036765 k( 93) = ( -0.0263158 0.0104753 0.0283241), wk = 0.0036765 k( 94) = ( -0.0131579 0.0052377 0.0141620), wk = 0.0036765 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 97) = ( 0.0074824 0.0187971 0.0000000), wk = 0.0036765 k( 98) = ( 0.0149649 0.0375942 0.0000000), wk = 0.0036765 k( 99) = ( 0.0224473 0.0563914 0.0000000), wk = 0.0036765 k( 100) = ( 0.0299297 0.0751885 0.0000000), wk = 0.0036765 k( 101) = ( 0.0374121 0.0939856 0.0000000), wk = 0.0036765 k( 102) = ( 0.0448946 0.1127827 0.0000000), wk = 0.0036765 k( 103) = ( 0.0523770 0.1315798 0.0000000), wk = 0.0036765 k( 104) = ( 0.0598594 0.1503770 0.0000000), wk = 0.0036765 k( 105) = ( 0.0673419 0.1691741 0.0000000), wk = 0.0036765 k( 106) = ( 0.0748243 0.1879712 0.0000000), wk = 0.0036765 k( 107) = ( 0.0823067 0.2067683 0.0000000), wk = 0.0036765 k( 108) = ( 0.0897891 0.2255655 0.0000000), wk = 0.0036765 k( 109) = ( 0.0972716 0.2443626 0.0000000), wk = 0.0036765 k( 110) = ( 0.1047540 0.2631597 0.0000000), wk = 0.0036765 k( 111) = ( 0.1122364 0.2819568 0.0000000), wk = 0.0036765 k( 112) = ( 0.1197189 0.3007539 0.0000000), wk = 0.0036765 k( 113) = ( 0.1272013 0.3195511 0.0000000), wk = 0.0036765 k( 114) = ( 0.1346837 0.3383482 0.0000000), wk = 0.0036765 k( 115) = ( 0.1421661 0.3571453 0.0000000), wk = 0.0036765 k( 116) = ( 0.1496486 0.3759424 0.0000000), wk = 0.0036765 k( 117) = ( 0.1571310 0.3947396 0.0000000), wk = 0.0036765 k( 118) = ( 0.1646134 0.4135367 0.0000000), wk = 0.0036765 k( 119) = ( 0.1720959 0.4323338 0.0000000), wk = 0.0036765 k( 120) = ( 0.1795783 0.4511309 0.0000000), wk = 0.0036765 k( 121) = ( 0.1870607 0.4699280 0.0000000), wk = 0.0036765 k( 122) = ( 0.1945431 0.4887252 0.0000000), wk = 0.0036765 k( 123) = ( 0.2020256 0.5075223 0.0000000), wk = 0.0036765 k( 124) = ( 0.2095080 0.5263194 0.0000000), wk = 0.0036765 k( 125) = ( 0.2169904 0.5451165 0.0000000), wk = 0.0036765 k( 126) = ( 0.2244729 0.5639136 0.0000000), wk = 0.0036765 k( 127) = ( 0.2319553 0.5827108 0.0000000), wk = 0.0036765 k( 128) = ( 0.2394377 0.6015079 0.0000000), wk = 0.0036765 k( 129) = ( 0.2469202 0.6203050 0.0000000), wk = 0.0036765 k( 130) = ( 0.2544026 0.6391021 0.0000000), wk = 0.0036765 k( 131) = ( 0.2618850 0.6578992 0.0000000), wk = 0.0036765 k( 132) = ( 0.2693674 0.6766964 0.0000000), wk = 0.0036765 k( 133) = ( 0.2768499 0.6954935 0.0000000), wk = 0.0036765 k( 134) = ( 0.2843323 0.7142906 0.0000000), wk = 0.0036765 k( 135) = ( 0.2918147 0.7330877 0.0000000), wk = 0.0036765 k( 136) = ( 0.2992972 0.7518849 0.0000000), wk = 0.0036765 k( 137) = ( 0.3067796 0.7706820 0.0000000), wk = 0.0036765 k( 138) = ( 0.3142620 0.7894791 0.0000000), wk = 0.0036765 k( 139) = ( 0.3217444 0.8082762 0.0000000), wk = 0.0036765 k( 140) = ( 0.3292269 0.8270733 0.0000000), wk = 0.0036765 k( 141) = ( 0.3292269 0.8270733 0.0000000), wk = 0.0036765 k( 142) = ( 0.3264949 0.8202102 0.0185572), wk = 0.0036765 k( 143) = ( 0.3237629 0.8133471 0.0371143), wk = 0.0036765 k( 144) = ( 0.3210310 0.8064839 0.0556715), wk = 0.0036765 k( 145) = ( 0.3182990 0.7996208 0.0742286), wk = 0.0036765 k( 146) = ( 0.3155671 0.7927576 0.0927858), wk = 0.0036765 k( 147) = ( 0.3128351 0.7858945 0.1113429), wk = 0.0036765 k( 148) = ( 0.3101031 0.7790313 0.1299001), wk = 0.0036765 k( 149) = ( 0.3073712 0.7721682 0.1484572), wk = 0.0036765 k( 150) = ( 0.3046392 0.7653050 0.1670144), wk = 0.0036765 k( 151) = ( 0.3019073 0.7584419 0.1855715), wk = 0.0036765 k( 152) = ( 0.2991753 0.7515787 0.2041287), wk = 0.0036765 k( 153) = ( 0.2964433 0.7447156 0.2226858), wk = 0.0036765 k( 154) = ( 0.2937114 0.7378524 0.2412430), wk = 0.0036765 k( 155) = ( 0.2909794 0.7309893 0.2598001), wk = 0.0036765 k( 156) = ( 0.2882475 0.7241262 0.2783573), wk = 0.0036765 k( 157) = ( 0.2855155 0.7172630 0.2969144), wk = 0.0036765 k( 158) = ( 0.2827835 0.7103998 0.3154716), wk = 0.0036765 k( 159) = ( 0.2800516 0.7035367 0.3340288), wk = 0.0036765 k( 160) = ( 0.2773196 0.6966736 0.3525859), wk = 0.0036765 k( 161) = ( 0.2745877 0.6898104 0.3711431), wk = 0.0036765 k( 162) = ( 0.2718557 0.6829473 0.3897002), wk = 0.0036765 k( 163) = ( 0.2691237 0.6760841 0.4082574), wk = 0.0036765 k( 164) = ( 0.2663918 0.6692210 0.4268145), wk = 0.0036765 k( 165) = ( 0.2636598 0.6623578 0.4453717), wk = 0.0036765 k( 166) = ( 0.2609278 0.6554947 0.4639288), wk = 0.0036765 k( 167) = ( 0.2581959 0.6486315 0.4824860), wk = 0.0036765 k( 168) = ( 0.2554639 0.6417684 0.5010431), wk = 0.0036765 k( 169) = ( 0.2527320 0.6349052 0.5196003), wk = 0.0036765 k( 170) = ( 0.2500000 0.6280421 0.5381574), wk = 0.0036765 k( 171) = ( 0.2500000 0.6280421 0.5381574), wk = 0.0036765 k( 172) = ( 0.2368421 0.6332798 0.5239954), wk = 0.0036765 k( 173) = ( 0.2236842 0.6385174 0.5098334), wk = 0.0036765 k( 174) = ( 0.2105263 0.6437551 0.4956713), wk = 0.0036765 k( 175) = ( 0.1973684 0.6489928 0.4815093), wk = 0.0036765 k( 176) = ( 0.1842105 0.6542304 0.4673473), wk = 0.0036765 k( 177) = ( 0.1710526 0.6594681 0.4531852), wk = 0.0036765 k( 178) = ( 0.1578947 0.6647057 0.4390232), wk = 0.0036765 k( 179) = ( 0.1447368 0.6699434 0.4248611), wk = 0.0036765 k( 180) = ( 0.1315790 0.6751811 0.4106991), wk = 0.0036765 k( 181) = ( 0.1184210 0.6804187 0.3965371), wk = 0.0036765 k( 182) = ( 0.1052632 0.6856564 0.3823750), wk = 0.0036765 k( 183) = ( 0.0921053 0.6908941 0.3682130), wk = 0.0036765 k( 184) = ( 0.0789474 0.6961317 0.3540510), wk = 0.0036765 k( 185) = ( 0.0657895 0.7013694 0.3398889), wk = 0.0036765 k( 186) = ( 0.0526316 0.7066071 0.3257269), wk = 0.0036765 k( 187) = ( 0.0394737 0.7118447 0.3115648), wk = 0.0036765 k( 188) = ( 0.0263158 0.7170824 0.2974028), wk = 0.0036765 k( 189) = ( 0.0131579 0.7223201 0.2832408), wk = 0.0036765 k( 190) = ( 0.0000000 0.7275577 0.2690787), wk = 0.0036765 k( 191) = ( 0.0000000 0.7275577 0.2690787), wk = 0.0036765 k( 192) = ( -0.0149649 0.7230343 0.2813096), wk = 0.0036765 k( 193) = ( -0.0299297 0.7185108 0.2935404), wk = 0.0036765 k( 194) = ( -0.0448946 0.7139874 0.3057713), wk = 0.0036765 k( 195) = ( -0.0598594 0.7094640 0.3180021), wk = 0.0036765 k( 196) = ( -0.0748243 0.7049405 0.3302330), wk = 0.0036765 k( 197) = ( -0.0897891 0.7004171 0.3424638), wk = 0.0036765 k( 198) = ( -0.1047540 0.6958937 0.3546947), wk = 0.0036765 k( 199) = ( -0.1197189 0.6913702 0.3669255), wk = 0.0036765 k( 200) = ( -0.1346837 0.6868468 0.3791564), wk = 0.0036765 k( 201) = ( -0.1496486 0.6823233 0.3913872), wk = 0.0036765 k( 202) = ( -0.1646134 0.6777999 0.4036181), wk = 0.0036765 k( 203) = ( -0.1795783 0.6732765 0.4158489), wk = 0.0036765 k( 204) = ( -0.1945431 0.6687530 0.4280798), wk = 0.0036765 k( 205) = ( -0.2095080 0.6642296 0.4403106), wk = 0.0036765 k( 206) = ( -0.2244729 0.6597062 0.4525415), wk = 0.0036765 k( 207) = ( -0.2394377 0.6551827 0.4647723), wk = 0.0036765 k( 208) = ( -0.2544026 0.6506593 0.4770032), wk = 0.0036765 k( 209) = ( -0.2693674 0.6461359 0.4892340), wk = 0.0036765 k( 210) = ( -0.2843323 0.6416124 0.5014649), wk = 0.0036765 k( 211) = ( -0.2992972 0.6370890 0.5136957), wk = 0.0036765 k( 212) = ( -0.3142620 0.6325655 0.5259266), wk = 0.0036765 k( 213) = ( -0.3292269 0.6280421 0.5381574), wk = 0.0036765 k( 214) = ( -0.3292269 0.6280421 0.5381574), wk = 0.0036765 k( 215) = ( -0.3366518 0.6093895 0.5381574), wk = 0.0036765 k( 216) = ( -0.3440767 0.5907368 0.5381574), wk = 0.0036765 k( 217) = ( -0.3515016 0.5720842 0.5381574), wk = 0.0036765 k( 218) = ( -0.3589266 0.5534315 0.5381574), wk = 0.0036765 k( 219) = ( -0.3663515 0.5347789 0.5381574), wk = 0.0036765 k( 220) = ( -0.3737764 0.5161262 0.5381574), wk = 0.0036765 k( 221) = ( -0.3812013 0.4974736 0.5381574), wk = 0.0036765 k( 222) = ( -0.3886262 0.4788209 0.5381574), wk = 0.0036765 k( 223) = ( -0.3960511 0.4601683 0.5381574), wk = 0.0036765 k( 224) = ( -0.4034761 0.4415156 0.5381574), wk = 0.0036765 k( 225) = ( -0.4109010 0.4228630 0.5381574), wk = 0.0036765 k( 226) = ( -0.4183259 0.4042103 0.5381574), wk = 0.0036765 k( 227) = ( -0.4257508 0.3855577 0.5381574), wk = 0.0036765 k( 228) = ( -0.4331757 0.3669051 0.5381574), wk = 0.0036765 k( 229) = ( -0.4406006 0.3482524 0.5381574), wk = 0.0036765 k( 230) = ( -0.4480256 0.3295998 0.5381574), wk = 0.0036765 k( 231) = ( -0.4554505 0.3109471 0.5381574), wk = 0.0036765 k( 232) = ( -0.4628754 0.2922945 0.5381574), wk = 0.0036765 k( 233) = ( -0.4703003 0.2736418 0.5381574), wk = 0.0036765 k( 234) = ( -0.4777252 0.2549892 0.5381574), wk = 0.0036765 k( 235) = ( -0.4851502 0.2363365 0.5381574), wk = 0.0036765 k( 236) = ( -0.4925751 0.2176839 0.5381574), wk = 0.0036765 k( 237) = ( -0.5000000 0.1990312 0.5381574), wk = 0.0036765 k( 238) = ( 0.0000000 0.0000000 0.5381574), wk = 0.0036765 k( 239) = ( 0.0073529 0.0184718 0.5381574), wk = 0.0036765 k( 240) = ( 0.0147059 0.0369436 0.5381574), wk = 0.0036765 k( 241) = ( 0.0220588 0.0554155 0.5381574), wk = 0.0036765 k( 242) = ( 0.0294118 0.0738873 0.5381574), wk = 0.0036765 k( 243) = ( 0.0367647 0.0923591 0.5381574), wk = 0.0036765 k( 244) = ( 0.0441177 0.1108310 0.5381574), wk = 0.0036765 k( 245) = ( 0.0514706 0.1293028 0.5381574), wk = 0.0036765 k( 246) = ( 0.0588235 0.1477746 0.5381574), wk = 0.0036765 k( 247) = ( 0.0661765 0.1662464 0.5381574), wk = 0.0036765 k( 248) = ( 0.0735294 0.1847183 0.5381574), wk = 0.0036765 k( 249) = ( 0.0808824 0.2031901 0.5381574), wk = 0.0036765 k( 250) = ( 0.0882353 0.2216619 0.5381574), wk = 0.0036765 k( 251) = ( 0.0955882 0.2401338 0.5381574), wk = 0.0036765 k( 252) = ( 0.1029412 0.2586056 0.5381574), wk = 0.0036765 k( 253) = ( 0.1102941 0.2770774 0.5381574), wk = 0.0036765 k( 254) = ( 0.1176471 0.2955492 0.5381574), wk = 0.0036765 k( 255) = ( 0.1250000 0.3140210 0.5381574), wk = 0.0036765 k( 256) = ( 0.1323529 0.3324929 0.5381574), wk = 0.0036765 k( 257) = ( 0.1397059 0.3509647 0.5381574), wk = 0.0036765 k( 258) = ( 0.1470588 0.3694365 0.5381574), wk = 0.0036765 k( 259) = ( 0.1544118 0.3879083 0.5381574), wk = 0.0036765 k( 260) = ( 0.1617647 0.4063802 0.5381574), wk = 0.0036765 k( 261) = ( 0.1691177 0.4248520 0.5381574), wk = 0.0036765 k( 262) = ( 0.1764706 0.4433238 0.5381574), wk = 0.0036765 k( 263) = ( 0.1838235 0.4617957 0.5381574), wk = 0.0036765 k( 264) = ( 0.1911765 0.4802675 0.5381574), wk = 0.0036765 k( 265) = ( 0.1985294 0.4987393 0.5381574), wk = 0.0036765 k( 266) = ( 0.2058823 0.5172111 0.5381574), wk = 0.0036765 k( 267) = ( 0.2132353 0.5356830 0.5381574), wk = 0.0036765 k( 268) = ( 0.2205882 0.5541548 0.5381574), wk = 0.0036765 k( 269) = ( 0.2279412 0.5726266 0.5381574), wk = 0.0036765 k( 270) = ( 0.2352941 0.5910985 0.5381574), wk = 0.0036765 k( 271) = ( 0.2426471 0.6095703 0.5381574), wk = 0.0036765 k( 272) = ( 0.2500000 0.6280421 0.5381574), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 30) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0036765 k( 31) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0036765 k( 32) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0036765 k( 33) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0036765 k( 34) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0036765 k( 35) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0036765 k( 36) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0036765 k( 37) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0036765 k( 38) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0036765 k( 39) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0036765 k( 40) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0036765 k( 41) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0036765 k( 42) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0036765 k( 43) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0036765 k( 44) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0036765 k( 45) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0036765 k( 46) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0036765 k( 47) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0036765 k( 48) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0036765 k( 49) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0036765 k( 50) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0036765 k( 51) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0036765 k( 52) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0036765 k( 53) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0036765 k( 54) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0036765 k( 55) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0036765 k( 56) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 57) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 58) = ( -0.4868421 0.4868421 0.4868421), wk = 0.0036765 k( 59) = ( -0.4736842 0.4736842 0.4736842), wk = 0.0036765 k( 60) = ( -0.4605263 0.4605263 0.4605263), wk = 0.0036765 k( 61) = ( -0.4473684 0.4473684 0.4473684), wk = 0.0036765 k( 62) = ( -0.4342105 0.4342105 0.4342105), wk = 0.0036765 k( 63) = ( -0.4210526 0.4210526 0.4210526), wk = 0.0036765 k( 64) = ( -0.4078947 0.4078947 0.4078947), wk = 0.0036765 k( 65) = ( -0.3947368 0.3947368 0.3947368), wk = 0.0036765 k( 66) = ( -0.3815789 0.3815789 0.3815790), wk = 0.0036765 k( 67) = ( -0.3684211 0.3684211 0.3684211), wk = 0.0036765 k( 68) = ( -0.3552632 0.3552632 0.3552632), wk = 0.0036765 k( 69) = ( -0.3421053 0.3421053 0.3421053), wk = 0.0036765 k( 70) = ( -0.3289474 0.3289474 0.3289474), wk = 0.0036765 k( 71) = ( -0.3157895 0.3157895 0.3157895), wk = 0.0036765 k( 72) = ( -0.3026316 0.3026316 0.3026316), wk = 0.0036765 k( 73) = ( -0.2894737 0.2894737 0.2894737), wk = 0.0036765 k( 74) = ( -0.2763158 0.2763158 0.2763158), wk = 0.0036765 k( 75) = ( -0.2631579 0.2631579 0.2631579), wk = 0.0036765 k( 76) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 77) = ( -0.2368421 0.2368421 0.2368421), wk = 0.0036765 k( 78) = ( -0.2236842 0.2236842 0.2236842), wk = 0.0036765 k( 79) = ( -0.2105263 0.2105263 0.2105263), wk = 0.0036765 k( 80) = ( -0.1973684 0.1973684 0.1973684), wk = 0.0036765 k( 81) = ( -0.1842105 0.1842105 0.1842105), wk = 0.0036765 k( 82) = ( -0.1710526 0.1710526 0.1710526), wk = 0.0036765 k( 83) = ( -0.1578947 0.1578947 0.1578947), wk = 0.0036765 k( 84) = ( -0.1447368 0.1447368 0.1447368), wk = 0.0036765 k( 85) = ( -0.1315790 0.1315790 0.1315790), wk = 0.0036765 k( 86) = ( -0.1184210 0.1184210 0.1184210), wk = 0.0036765 k( 87) = ( -0.1052632 0.1052632 0.1052632), wk = 0.0036765 k( 88) = ( -0.0921053 0.0921053 0.0921053), wk = 0.0036765 k( 89) = ( -0.0789474 0.0789474 0.0789474), wk = 0.0036765 k( 90) = ( -0.0657895 0.0657895 0.0657895), wk = 0.0036765 k( 91) = ( -0.0526316 0.0526316 0.0526316), wk = 0.0036765 k( 92) = ( -0.0394737 0.0394737 0.0394737), wk = 0.0036765 k( 93) = ( -0.0263158 0.0263158 0.0263158), wk = 0.0036765 k( 94) = ( -0.0131579 0.0131579 0.0131579), wk = 0.0036765 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 97) = ( 0.0074824 0.0074824 -0.0074824), wk = 0.0036765 k( 98) = ( 0.0149649 0.0149649 -0.0149649), wk = 0.0036765 k( 99) = ( 0.0224473 0.0224473 -0.0224473), wk = 0.0036765 k( 100) = ( 0.0299297 0.0299297 -0.0299297), wk = 0.0036765 k( 101) = ( 0.0374121 0.0374121 -0.0374121), wk = 0.0036765 k( 102) = ( 0.0448946 0.0448946 -0.0448946), wk = 0.0036765 k( 103) = ( 0.0523770 0.0523770 -0.0523770), wk = 0.0036765 k( 104) = ( 0.0598594 0.0598594 -0.0598594), wk = 0.0036765 k( 105) = ( 0.0673419 0.0673419 -0.0673419), wk = 0.0036765 k( 106) = ( 0.0748243 0.0748243 -0.0748243), wk = 0.0036765 k( 107) = ( 0.0823067 0.0823067 -0.0823067), wk = 0.0036765 k( 108) = ( 0.0897891 0.0897892 -0.0897892), wk = 0.0036765 k( 109) = ( 0.0972716 0.0972716 -0.0972716), wk = 0.0036765 k( 110) = ( 0.1047540 0.1047540 -0.1047540), wk = 0.0036765 k( 111) = ( 0.1122364 0.1122364 -0.1122364), wk = 0.0036765 k( 112) = ( 0.1197189 0.1197189 -0.1197189), wk = 0.0036765 k( 113) = ( 0.1272013 0.1272013 -0.1272013), wk = 0.0036765 k( 114) = ( 0.1346837 0.1346837 -0.1346837), wk = 0.0036765 k( 115) = ( 0.1421661 0.1421662 -0.1421661), wk = 0.0036765 k( 116) = ( 0.1496486 0.1496486 -0.1496486), wk = 0.0036765 k( 117) = ( 0.1571310 0.1571310 -0.1571310), wk = 0.0036765 k( 118) = ( 0.1646134 0.1646134 -0.1646134), wk = 0.0036765 k( 119) = ( 0.1720959 0.1720959 -0.1720959), wk = 0.0036765 k( 120) = ( 0.1795783 0.1795783 -0.1795783), wk = 0.0036765 k( 121) = ( 0.1870607 0.1870607 -0.1870607), wk = 0.0036765 k( 122) = ( 0.1945431 0.1945432 -0.1945431), wk = 0.0036765 k( 123) = ( 0.2020256 0.2020256 -0.2020256), wk = 0.0036765 k( 124) = ( 0.2095080 0.2095080 -0.2095080), wk = 0.0036765 k( 125) = ( 0.2169904 0.2169904 -0.2169904), wk = 0.0036765 k( 126) = ( 0.2244729 0.2244729 -0.2244729), wk = 0.0036765 k( 127) = ( 0.2319553 0.2319553 -0.2319553), wk = 0.0036765 k( 128) = ( 0.2394377 0.2394377 -0.2394377), wk = 0.0036765 k( 129) = ( 0.2469202 0.2469202 -0.2469202), wk = 0.0036765 k( 130) = ( 0.2544026 0.2544026 -0.2544026), wk = 0.0036765 k( 131) = ( 0.2618850 0.2618850 -0.2618850), wk = 0.0036765 k( 132) = ( 0.2693674 0.2693674 -0.2693674), wk = 0.0036765 k( 133) = ( 0.2768499 0.2768499 -0.2768499), wk = 0.0036765 k( 134) = ( 0.2843323 0.2843323 -0.2843323), wk = 0.0036765 k( 135) = ( 0.2918147 0.2918147 -0.2918147), wk = 0.0036765 k( 136) = ( 0.2992972 0.2992972 -0.2992972), wk = 0.0036765 k( 137) = ( 0.3067796 0.3067796 -0.3067796), wk = 0.0036765 k( 138) = ( 0.3142620 0.3142620 -0.3142620), wk = 0.0036765 k( 139) = ( 0.3217444 0.3217444 -0.3217444), wk = 0.0036765 k( 140) = ( 0.3292269 0.3292269 -0.3292269), wk = 0.0036765 k( 141) = ( 0.3292269 0.3292269 -0.3292269), wk = 0.0036765 k( 142) = ( 0.3264949 0.3264949 -0.3092535), wk = 0.0036765 k( 143) = ( 0.3237629 0.3237629 -0.2892802), wk = 0.0036765 k( 144) = ( 0.3210310 0.3210310 -0.2693068), wk = 0.0036765 k( 145) = ( 0.3182990 0.3182990 -0.2493335), wk = 0.0036765 k( 146) = ( 0.3155671 0.3155671 -0.2293602), wk = 0.0036765 k( 147) = ( 0.3128351 0.3128351 -0.2093868), wk = 0.0036765 k( 148) = ( 0.3101031 0.3101031 -0.1894135), wk = 0.0036765 k( 149) = ( 0.3073712 0.3073712 -0.1694402), wk = 0.0036765 k( 150) = ( 0.3046392 0.3046392 -0.1494668), wk = 0.0036765 k( 151) = ( 0.3019073 0.3019073 -0.1294935), wk = 0.0036765 k( 152) = ( 0.2991753 0.2991753 -0.1095201), wk = 0.0036765 k( 153) = ( 0.2964433 0.2964433 -0.0895468), wk = 0.0036765 k( 154) = ( 0.2937114 0.2937114 -0.0695734), wk = 0.0036765 k( 155) = ( 0.2909794 0.2909794 -0.0496001), wk = 0.0036765 k( 156) = ( 0.2882475 0.2882475 -0.0296268), wk = 0.0036765 k( 157) = ( 0.2855155 0.2855155 -0.0096534), wk = 0.0036765 k( 158) = ( 0.2827835 0.2827835 0.0103199), wk = 0.0036765 k( 159) = ( 0.2800516 0.2800516 0.0302933), wk = 0.0036765 k( 160) = ( 0.2773196 0.2773196 0.0502666), wk = 0.0036765 k( 161) = ( 0.2745877 0.2745877 0.0702399), wk = 0.0036765 k( 162) = ( 0.2718557 0.2718557 0.0902133), wk = 0.0036765 k( 163) = ( 0.2691237 0.2691237 0.1101866), wk = 0.0036765 k( 164) = ( 0.2663918 0.2663918 0.1301600), wk = 0.0036765 k( 165) = ( 0.2636598 0.2636598 0.1501333), wk = 0.0036765 k( 166) = ( 0.2609278 0.2609278 0.1701066), wk = 0.0036765 k( 167) = ( 0.2581959 0.2581959 0.1900800), wk = 0.0036765 k( 168) = ( 0.2554639 0.2554639 0.2100533), wk = 0.0036765 k( 169) = ( 0.2527320 0.2527320 0.2300267), wk = 0.0036765 k( 170) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 171) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 172) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0036765 k( 173) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0036765 k( 174) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0036765 k( 175) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0036765 k( 176) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0036765 k( 177) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0036765 k( 178) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0036765 k( 179) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0036765 k( 180) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0036765 k( 181) = ( 0.1184210 0.3815790 0.1184211), wk = 0.0036765 k( 182) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0036765 k( 183) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0036765 k( 184) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0036765 k( 185) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0036765 k( 186) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0036765 k( 187) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0036765 k( 188) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0036765 k( 189) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0036765 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 191) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 192) = ( -0.0149649 0.5077624 0.0149649), wk = 0.0036765 k( 193) = ( -0.0299297 0.5155248 0.0299297), wk = 0.0036765 k( 194) = ( -0.0448946 0.5232872 0.0448946), wk = 0.0036765 k( 195) = ( -0.0598594 0.5310497 0.0598594), wk = 0.0036765 k( 196) = ( -0.0748243 0.5388121 0.0748243), wk = 0.0036765 k( 197) = ( -0.0897891 0.5465745 0.0897891), wk = 0.0036765 k( 198) = ( -0.1047540 0.5543369 0.1047540), wk = 0.0036765 k( 199) = ( -0.1197189 0.5620993 0.1197189), wk = 0.0036765 k( 200) = ( -0.1346837 0.5698617 0.1346837), wk = 0.0036765 k( 201) = ( -0.1496486 0.5776242 0.1496486), wk = 0.0036765 k( 202) = ( -0.1646134 0.5853866 0.1646134), wk = 0.0036765 k( 203) = ( -0.1795783 0.5931490 0.1795783), wk = 0.0036765 k( 204) = ( -0.1945431 0.6009114 0.1945432), wk = 0.0036765 k( 205) = ( -0.2095080 0.6086738 0.2095080), wk = 0.0036765 k( 206) = ( -0.2244729 0.6164362 0.2244729), wk = 0.0036765 k( 207) = ( -0.2394377 0.6241986 0.2394377), wk = 0.0036765 k( 208) = ( -0.2544026 0.6319611 0.2544026), wk = 0.0036765 k( 209) = ( -0.2693674 0.6397235 0.2693674), wk = 0.0036765 k( 210) = ( -0.2843323 0.6474859 0.2843323), wk = 0.0036765 k( 211) = ( -0.2992972 0.6552483 0.2992972), wk = 0.0036765 k( 212) = ( -0.3142620 0.6630107 0.3142620), wk = 0.0036765 k( 213) = ( -0.3292269 0.6707731 0.3292269), wk = 0.0036765 k( 214) = ( -0.3292269 0.6707731 0.3292269), wk = 0.0036765 k( 215) = ( -0.3366518 0.6633482 0.3366518), wk = 0.0036765 k( 216) = ( -0.3440767 0.6559233 0.3440767), wk = 0.0036765 k( 217) = ( -0.3515016 0.6484984 0.3515016), wk = 0.0036765 k( 218) = ( -0.3589266 0.6410735 0.3589266), wk = 0.0036765 k( 219) = ( -0.3663515 0.6336485 0.3663515), wk = 0.0036765 k( 220) = ( -0.3737764 0.6262236 0.3737764), wk = 0.0036765 k( 221) = ( -0.3812013 0.6187987 0.3812013), wk = 0.0036765 k( 222) = ( -0.3886262 0.6113738 0.3886262), wk = 0.0036765 k( 223) = ( -0.3960511 0.6039489 0.3960511), wk = 0.0036765 k( 224) = ( -0.4034761 0.5965239 0.4034761), wk = 0.0036765 k( 225) = ( -0.4109010 0.5890990 0.4109010), wk = 0.0036765 k( 226) = ( -0.4183259 0.5816741 0.4183259), wk = 0.0036765 k( 227) = ( -0.4257508 0.5742492 0.4257508), wk = 0.0036765 k( 228) = ( -0.4331757 0.5668243 0.4331757), wk = 0.0036765 k( 229) = ( -0.4406006 0.5593993 0.4406007), wk = 0.0036765 k( 230) = ( -0.4480256 0.5519744 0.4480256), wk = 0.0036765 k( 231) = ( -0.4554505 0.5445495 0.4554505), wk = 0.0036765 k( 232) = ( -0.4628754 0.5371246 0.4628754), wk = 0.0036765 k( 233) = ( -0.4703003 0.5296997 0.4703003), wk = 0.0036765 k( 234) = ( -0.4777252 0.5222748 0.4777252), wk = 0.0036765 k( 235) = ( -0.4851502 0.5148498 0.4851502), wk = 0.0036765 k( 236) = ( -0.4925751 0.5074249 0.4925751), wk = 0.0036765 k( 237) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 239) = ( 0.0073529 0.0073529 0.4926471), wk = 0.0036765 k( 240) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0036765 k( 241) = ( 0.0220588 0.0220588 0.4779412), wk = 0.0036765 k( 242) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0036765 k( 243) = ( 0.0367647 0.0367647 0.4632353), wk = 0.0036765 k( 244) = ( 0.0441177 0.0441177 0.4558824), wk = 0.0036765 k( 245) = ( 0.0514706 0.0514706 0.4485294), wk = 0.0036765 k( 246) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0036765 k( 247) = ( 0.0661765 0.0661765 0.4338235), wk = 0.0036765 k( 248) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0036765 k( 249) = ( 0.0808824 0.0808823 0.4191177), wk = 0.0036765 k( 250) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0036765 k( 251) = ( 0.0955882 0.0955882 0.4044118), wk = 0.0036765 k( 252) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0036765 k( 253) = ( 0.1102941 0.1102941 0.3897059), wk = 0.0036765 k( 254) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0036765 k( 255) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036765 k( 256) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0036765 k( 257) = ( 0.1397059 0.1397059 0.3602941), wk = 0.0036765 k( 258) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0036765 k( 259) = ( 0.1544118 0.1544118 0.3455882), wk = 0.0036765 k( 260) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0036765 k( 261) = ( 0.1691177 0.1691177 0.3308823), wk = 0.0036765 k( 262) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0036765 k( 263) = ( 0.1838235 0.1838235 0.3161765), wk = 0.0036765 k( 264) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0036765 k( 265) = ( 0.1985294 0.1985294 0.3014706), wk = 0.0036765 k( 266) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0036765 k( 267) = ( 0.2132353 0.2132353 0.2867647), wk = 0.0036765 k( 268) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0036765 k( 269) = ( 0.2279412 0.2279412 0.2720588), wk = 0.0036765 k( 270) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0036765 k( 271) = ( 0.2426471 0.2426471 0.2573529), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 51399 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 35821 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 258, 48) NL pseudopotentials 0.28 Mb ( 129, 140) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1429) G-vector shells 0.01 Mb ( 658) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 258, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.21 Mb ( 140, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt 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Computing kpt #: 62 total cpu time spent up to now is 36.3 secs Computing kpt #: 63 total cpu time spent up to now is 36.9 secs Computing kpt #: 64 total cpu time spent up to now is 37.4 secs Computing kpt #: 65 total cpu time spent up to now is 38.0 secs Computing kpt #: 66 total cpu time spent up to now is 38.5 secs Computing kpt #: 67 total cpu time spent up to now is 39.0 secs Computing kpt #: 68 total cpu time spent up to now is 39.6 secs Computing kpt #: 69 total cpu time spent up to now is 40.1 secs Computing kpt #: 70 total cpu time spent up to now is 40.6 secs Computing kpt #: 71 total cpu time spent up to now is 41.1 secs Computing kpt #: 72 total cpu time spent up to now is 41.6 secs Computing kpt #: 73 total cpu time spent up to now is 42.1 secs Computing kpt #: 74 total cpu time spent up to now is 42.6 secs Computing kpt #: 75 total cpu time spent up to now is 43.1 secs Computing kpt #: 76 total cpu time spent up to now is 43.6 secs Computing kpt #: 77 total cpu time spent 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total cpu time spent up to now is 77.7 secs Computing kpt #: 140 total cpu time spent up to now is 78.1 secs Computing kpt #: 141 total cpu time spent up to now is 78.6 secs Computing kpt #: 142 total cpu time spent up to now is 79.1 secs Computing kpt #: 143 total cpu time spent up to now is 79.6 secs Computing kpt #: 144 total cpu time spent up to now is 80.1 secs Computing kpt #: 145 total cpu time spent up to now is 80.6 secs Computing kpt #: 146 total cpu time spent up to now is 81.0 secs Computing kpt #: 147 total cpu time spent up to now is 81.5 secs Computing kpt #: 148 total cpu time spent up to now is 82.0 secs Computing kpt #: 149 total cpu time spent up to now is 82.4 secs Computing kpt #: 150 total cpu time spent up to now is 82.9 secs Computing kpt #: 151 total cpu time spent up to now is 83.4 secs Computing kpt #: 152 total cpu time spent up to now is 83.9 secs Computing kpt #: 153 total cpu time spent up to now is 84.4 secs Computing kpt #: 154 total cpu time spent up 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total cpu time spent up to now is 100.7 secs Computing kpt #: 186 total cpu time spent up to now is 101.2 secs Computing kpt #: 187 total cpu time spent up to now is 101.6 secs Computing kpt #: 188 total cpu time spent up to now is 102.1 secs Computing kpt #: 189 total cpu time spent up to now is 102.7 secs Computing kpt #: 190 total cpu time spent up to now is 103.2 secs Computing kpt #: 191 total cpu time spent up to now is 103.8 secs Computing kpt #: 192 total cpu time spent up to now is 104.2 secs Computing kpt #: 193 total cpu time spent up to now is 104.7 secs Computing kpt #: 194 total cpu time spent up to now is 105.1 secs Computing kpt #: 195 total cpu time spent up to now is 105.6 secs Computing kpt #: 196 total cpu time spent up to now is 106.1 secs Computing kpt #: 197 total cpu time spent up to now is 106.5 secs Computing kpt #: 198 total cpu time spent up to now is 107.0 secs Computing kpt #: 199 total cpu time spent up to now is 107.4 secs Computing kpt #: 200 total cpu time spent up to now is 107.9 secs Computing kpt #: 201 total cpu time spent up to now is 108.3 secs Computing kpt #: 202 total cpu time spent up to now is 108.8 secs Computing kpt #: 203 total cpu time spent up to now is 109.3 secs Computing kpt #: 204 total cpu time spent up to now is 109.8 secs Computing kpt #: 205 total cpu time spent up to now is 110.2 secs Computing kpt #: 206 total cpu time spent up to now is 110.7 secs Computing kpt #: 207 total cpu time spent up to now is 111.1 secs Computing kpt #: 208 total cpu time spent up to now is 111.6 secs Computing kpt #: 209 total cpu time spent up to now is 112.1 secs Computing kpt #: 210 total cpu time spent up to now is 112.5 secs Computing kpt #: 211 total cpu time spent up to now is 113.0 secs Computing kpt #: 212 total cpu time spent up to now is 113.6 secs Computing kpt #: 213 total cpu time spent up to now is 114.1 secs Computing kpt #: 214 total cpu time spent up to now is 114.6 secs Computing kpt #: 215 total cpu time spent up to now is 115.2 secs Computing kpt #: 216 total cpu time spent up to now is 115.7 secs Computing kpt #: 217 total cpu time spent up to now is 116.2 secs Computing kpt #: 218 total cpu time spent up to now is 116.7 secs Computing kpt #: 219 total cpu time spent up to now is 117.3 secs Computing kpt #: 220 total cpu time spent up to now is 117.8 secs Computing kpt #: 221 total cpu time spent up to now is 118.3 secs Computing kpt #: 222 total cpu time spent up to now is 118.8 secs Computing kpt #: 223 total cpu time spent up to now is 119.7 secs Computing kpt #: 224 total cpu time spent up to now is 120.3 secs Computing kpt #: 225 total cpu time spent up to now is 120.8 secs Computing kpt #: 226 total cpu time spent up to now is 121.3 secs Computing kpt #: 227 total cpu time spent up to now is 121.9 secs Computing kpt #: 228 total cpu time spent up to now is 122.4 secs Computing kpt #: 229 total cpu time spent up to now is 122.9 secs Computing kpt #: 230 total cpu time spent up to now is 123.5 secs Computing kpt #: 231 total cpu time spent up to now is 124.3 secs Computing kpt #: 232 total cpu time spent up to now is 124.9 secs Computing kpt #: 233 total cpu time spent up to now is 125.5 secs Computing kpt #: 234 total cpu time spent up to now is 126.3 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.7 secs Computing kpt #: 236 total cpu time spent up to now is 128.5 secs Computing kpt #: 237 total cpu time spent up to now is 129.3 secs Computing kpt #: 238 total cpu time spent up to now is 129.8 secs Computing kpt #: 239 total cpu time spent up to now is 130.4 secs Computing kpt #: 240 total cpu time spent up to now is 130.9 secs Computing kpt #: 241 total cpu time spent up to now is 131.5 secs Computing kpt #: 242 total cpu time spent up to now is 132.0 secs Computing kpt #: 243 total cpu time spent up to now is 132.5 secs Computing kpt #: 244 total cpu time spent up to now is 132.9 secs Computing kpt #: 245 total cpu time spent up to now is 133.4 secs Computing kpt #: 246 total cpu time spent up to now is 134.0 secs Computing kpt #: 247 total cpu time spent up to now is 134.4 secs Computing kpt #: 248 total cpu time spent up to now is 135.0 secs Computing kpt #: 249 total cpu time spent up to now is 135.5 secs Computing kpt #: 250 total cpu time spent up to now is 136.0 secs Computing kpt #: 251 total cpu time spent up to now is 136.4 secs Computing kpt #: 252 total cpu time spent up to now is 137.0 secs Computing kpt #: 253 total cpu time spent up to now is 137.4 secs Computing kpt #: 254 total cpu time spent up to now is 138.0 secs Computing kpt #: 255 total cpu time spent up to now is 138.5 secs Computing kpt #: 256 total cpu time spent up to now is 139.0 secs Computing kpt #: 257 total cpu time spent up to now is 139.5 secs Computing kpt #: 258 total cpu time spent up to now is 140.2 secs Computing kpt #: 259 total cpu time spent up to now is 140.7 secs Computing kpt #: 260 total cpu time spent up to now is 141.2 secs Computing kpt #: 261 total cpu time spent up to now is 141.7 secs Computing kpt #: 262 total cpu time spent up to now is 142.2 secs Computing kpt #: 263 total cpu time spent up to now is 142.7 secs Computing kpt #: 264 total cpu time spent up to now is 143.3 secs Computing kpt #: 265 total cpu time spent up to now is 143.8 secs Computing kpt #: 266 total cpu time spent up to now is 144.3 secs Computing kpt #: 267 total cpu time spent up to now is 144.9 secs Computing kpt #: 268 total cpu time spent up to now is 145.4 secs Computing kpt #: 269 total cpu time spent up to now is 146.0 secs Computing kpt #: 270 total cpu time spent up to now is 146.5 secs Computing kpt #: 271 total cpu time spent up to now is 147.1 secs Computing kpt #: 272 total cpu time spent up to now is 147.6 secs ethr = 2.50E-08, avg # of iterations = 23.4 total cpu time spent up to now is 147.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4465 PWs) bands (ev): -19.3823 -19.3823 -18.8518 -18.8518 -18.7179 -18.7179 -18.7160 -18.7160 -6.3045 -6.3045 -6.0123 -6.0123 -5.9188 -5.9188 -5.0376 -5.0376 -4.5898 -4.5898 -4.1851 -4.1851 -4.1634 -4.1634 -4.0303 -4.0303 -3.7034 -3.7034 -3.2176 -3.2176 -2.6836 -2.6836 -2.4334 -2.4334 7.2319 7.2319 8.3076 8.3076 8.3558 8.3558 9.1037 9.1037 9.3951 9.3951 9.8170 9.8170 10.7506 10.7506 10.8837 10.8837 k = 0.0000 0.0000 0.0199 ( 4451 PWs) bands (ev): -19.3820 -19.3820 -18.8524 -18.8524 -18.7176 -18.7176 -18.7160 -18.7160 -6.3041 -6.3041 -6.0131 -6.0131 -5.9179 -5.9179 -5.0380 -5.0380 -4.5896 -4.5896 -4.1934 -4.1934 -4.1541 -4.1541 -4.0300 -4.0300 -3.7036 -3.7036 -3.2175 -3.2175 -2.6845 -2.6845 -2.4343 -2.4343 7.2348 7.2348 8.3050 8.3050 8.3536 8.3536 9.1112 9.1112 9.3966 9.3966 9.8122 9.8122 10.7325 10.7325 10.8532 10.8532 k = 0.0000 0.0000 0.0399 ( 4459 PWs) bands (ev): -19.3812 -19.3812 -18.8543 -18.8543 -18.7167 -18.7167 -18.7160 -18.7160 -6.3030 -6.3030 -6.0152 -6.0152 -5.9154 -5.9154 -5.0393 -5.0393 -4.5889 -4.5889 -4.2067 -4.2067 -4.1378 -4.1378 -4.0294 -4.0294 -3.7042 -3.7042 -3.2172 -3.2172 -2.6869 -2.6869 -2.4371 -2.4371 7.2435 7.2435 8.2947 8.2947 8.3502 8.3502 9.1327 9.1327 9.4012 9.4012 9.7980 9.7980 10.6736 10.6736 10.8131 10.8131 k = 0.0000 0.0000 0.0598 ( 4462 PWs) bands (ev): -19.3798 -19.3798 -18.8573 -18.8573 -18.7161 -18.7161 -18.7152 -18.7152 -6.3012 -6.3012 -6.0184 -6.0184 -5.9115 -5.9115 -5.0415 -5.0415 -4.5878 -4.5878 -4.2201 -4.2201 -4.1195 -4.1195 -4.0283 -4.0283 -3.7051 -3.7051 -3.2168 -3.2168 -2.6910 -2.6910 -2.4415 -2.4415 7.2578 7.2578 8.2735 8.2735 8.3510 8.3510 9.1661 9.1661 9.4088 9.4088 9.7743 9.7743 10.5894 10.5894 10.7851 10.7851 k = 0.0000 0.0000 0.0797 ( 4464 PWs) bands (ev): -19.3779 -19.3779 -18.8614 -18.8614 -18.7161 -18.7161 -18.7133 -18.7133 -6.2987 -6.2987 -6.0227 -6.0227 -5.9062 -5.9062 -5.0446 -5.0446 -4.5863 -4.5863 -4.2328 -4.2328 -4.1000 -4.1000 -4.0267 -4.0267 -3.7064 -3.7064 -3.2162 -3.2162 -2.6968 -2.6968 -2.4476 -2.4476 7.2779 7.2779 8.2431 8.2431 8.3568 8.3568 9.2082 9.2082 9.4194 9.4194 9.7415 9.7415 10.4981 10.4981 10.7559 10.7559 k = 0.0000 0.0000 0.0997 ( 4470 PWs) bands (ev): -19.3755 -19.3755 -18.8664 -18.8664 -18.7161 -18.7161 -18.7110 -18.7110 -6.2956 -6.2956 -6.0278 -6.0278 -5.8999 -5.8999 -5.0485 -5.0485 -4.5843 -4.5843 -4.2449 -4.2449 -4.0794 -4.0794 -4.0246 -4.0246 -3.7080 -3.7080 -3.2155 -3.2155 -2.7044 -2.7044 -2.4552 -2.4552 7.3035 7.3035 8.2071 8.2071 8.3663 8.3663 9.2562 9.2562 9.4330 9.4330 9.7000 9.7000 10.4061 10.4061 10.7219 10.7219 k = 0.0000 0.0000 0.1196 ( 4474 PWs) bands (ev): -19.3725 -19.3725 -18.8724 -18.8724 -18.7160 -18.7160 -18.7084 -18.7084 -6.2919 -6.2919 -6.0334 -6.0334 -5.8926 -5.8926 -5.0532 -5.0532 -4.5819 -4.5819 -4.2562 -4.2562 -4.0581 -4.0581 -4.0219 -4.0219 -3.7098 -3.7098 -3.2146 -3.2146 -2.7137 -2.7137 -2.4642 -2.4642 7.3345 7.3345 8.1684 8.1684 8.3788 8.3788 9.3072 9.3072 9.4495 9.4495 9.6506 9.6506 10.3156 10.3156 10.6839 10.6839 k = 0.0000 0.0000 0.1395 ( 4482 PWs) bands (ev): -19.3691 -19.3691 -18.8790 -18.8790 -18.7160 -18.7160 -18.7056 -18.7056 -6.2877 -6.2877 -6.0395 -6.0395 -5.8844 -5.8844 -5.0587 -5.0587 -4.5790 -4.5790 -4.2669 -4.2669 -4.0370 -4.0370 -4.0178 -4.0178 -3.7118 -3.7118 -3.2136 -3.2136 -2.7248 -2.7248 -2.4742 -2.4742 7.3708 7.3708 8.1288 8.1288 8.3936 8.3936 9.3582 9.3582 9.4689 9.4689 9.5947 9.5947 10.2276 10.2276 10.6442 10.6442 k = 0.0000 0.0000 0.1595 ( 4488 PWs) bands (ev): -19.3652 -19.3652 -18.8863 -18.8863 -18.7160 -18.7160 -18.7027 -18.7027 -6.2830 -6.2830 -6.0459 -6.0459 -5.8755 -5.8755 -5.0649 -5.0649 -4.5756 -4.5756 -4.2770 -4.2770 -4.0216 -4.0216 -4.0068 -4.0068 -3.7139 -3.7139 -3.2125 -3.2125 -2.7379 -2.7379 -2.4852 -2.4852 7.4122 7.4122 8.0899 8.0899 8.4106 8.4106 9.4040 9.4040 9.4912 9.4912 9.5363 9.5363 10.1425 10.1425 10.6047 10.6047 k = 0.0000 0.0000 0.1794 ( 4490 PWs) bands (ev): -19.3608 -19.3608 -18.8942 -18.8942 -18.7160 -18.7160 -18.6998 -18.6998 -6.2779 -6.2779 -6.0526 -6.0526 -5.8659 -5.8659 -5.0718 -5.0718 -4.5718 -4.5718 -4.2865 -4.2865 -4.0156 -4.0156 -3.9855 -3.9855 -3.7158 -3.7158 -3.2113 -3.2113 -2.7528 -2.7528 -2.4969 -2.4969 7.4585 7.4585 8.0526 8.0526 8.4293 8.4293 9.4192 9.4192 9.5000 9.5000 9.5164 9.5164 10.0610 10.0610 10.5668 10.5668 k = 0.0000 0.0000 0.1993 ( 4480 PWs) bands (ev): -19.3560 -19.3560 -18.9025 -18.9025 -18.7160 -18.7160 -18.6969 -18.6969 -6.2725 -6.2725 -6.0594 -6.0594 -5.8557 -5.8557 -5.0794 -5.0794 -4.5675 -4.5675 -4.2956 -4.2956 -4.0112 -4.0112 -3.9620 -3.9620 -3.7174 -3.7174 -3.2100 -3.2100 -2.7697 -2.7697 -2.5091 -2.5091 7.5094 7.5094 8.0177 8.0177 8.4495 8.4495 9.3666 9.3666 9.5220 9.5220 9.5442 9.5442 9.9833 9.9833 10.5317 10.5317 k = 0.0000 0.0000 0.2192 ( 4484 PWs) bands (ev): -19.3508 -19.3508 -18.9112 -18.9112 -18.7160 -18.7160 -18.6940 -18.6940 -6.2669 -6.2669 -6.0663 -6.0663 -5.8448 -5.8448 -5.0876 -5.0876 -4.5628 -4.5628 -4.3042 -4.3042 -4.0069 -4.0069 -3.9383 -3.9383 -3.7183 -3.7183 -3.2087 -3.2087 -2.7886 -2.7886 -2.5214 -2.5214 7.5645 7.5645 7.9860 7.9860 8.4710 8.4710 9.2929 9.2929 9.5547 9.5547 9.5747 9.5747 9.9099 9.9099 10.5005 10.5005 k = 0.0000 0.0000 0.2392 ( 4484 PWs) bands (ev): -19.3453 -19.3453 -18.9202 -18.9202 -18.7160 -18.7160 -18.6912 -18.6912 -6.2611 -6.2611 -6.0733 -6.0733 -5.8334 -5.8334 -5.0963 -5.0963 -4.5576 -4.5576 -4.3126 -4.3126 -4.0023 -4.0023 -3.9153 -3.9153 -3.7178 -3.7178 -3.2074 -3.2074 -2.8093 -2.8093 -2.5338 -2.5338 7.6234 7.6234 7.9582 7.9582 8.4933 8.4933 9.2141 9.2141 9.5809 9.5809 9.6076 9.6076 9.8416 9.8416 10.4740 10.4740 k = 0.0000 0.0000 0.2591 ( 4488 PWs) bands (ev): -19.3395 -19.3394 -18.9294 -18.9294 -18.7160 -18.7160 -18.6886 -18.6886 -6.2552 -6.2552 -6.0803 -6.0803 -5.8215 -5.8215 -5.1055 -5.1055 -4.5520 -4.5520 -4.3207 -4.3207 -3.9975 -3.9975 -3.8938 -3.8938 -3.7153 -3.7153 -3.2061 -3.2061 -2.8320 -2.8320 -2.5460 -2.5460 7.6851 7.6851 7.9351 7.9351 8.5163 8.5163 9.1331 9.1331 9.5961 9.5961 9.6429 9.6429 9.7794 9.7794 10.4531 10.4531 k = 0.0000 0.0000 0.2790 ( 4490 PWs) bands (ev): -19.3333 -19.3333 -18.9387 -18.9387 -18.7160 -18.7160 -18.6860 -18.6860 -6.2492 -6.2492 -6.0873 -6.0873 -5.8093 -5.8093 -5.1151 -5.1151 -4.5459 -4.5459 -4.3285 -4.3285 -3.9925 -3.9925 -3.8749 -3.8749 -3.7096 -3.7096 -3.2049 -3.2049 -2.8563 -2.8563 -2.5579 -2.5579 7.7475 7.7475 7.9188 7.9188 8.5396 8.5396 9.0515 9.0515 9.5963 9.5963 9.6805 9.6805 9.7256 9.7256 10.4384 10.4384 k = 0.0000 0.0000 0.2990 ( 4484 PWs) bands (ev): -19.3270 -19.3270 -18.9480 -18.9480 -18.7159 -18.7159 -18.6836 -18.6836 -6.2433 -6.2433 -6.0942 -6.0942 -5.7967 -5.7967 -5.1250 -5.1250 -4.5394 -4.5394 -4.3362 -4.3362 -3.9872 -3.9872 -3.8600 -3.8600 -3.6996 -3.6996 -3.2038 -3.2038 -2.8822 -2.8822 -2.5693 -2.5693 7.8037 7.8037 7.9162 7.9162 8.5627 8.5627 8.9703 8.9703 9.5782 9.5782 9.6826 9.6826 9.7201 9.7201 10.4301 10.4301 k = 0.0000 0.0000 0.3189 ( 4486 PWs) bands (ev): -19.3206 -19.3206 -18.9574 -18.9574 -18.7159 -18.7159 -18.6814 -18.6814 -6.2374 -6.2374 -6.1010 -6.1010 -5.7839 -5.7839 -5.1350 -5.1350 -4.5326 -4.5326 -4.3438 -4.3438 -3.9816 -3.9816 -3.8498 -3.8498 -3.6846 -3.6846 -3.2028 -3.2028 -2.9095 -2.9095 -2.5801 -2.5801 7.8354 7.8354 7.9452 7.9452 8.5853 8.5853 8.8904 8.8904 9.5444 9.5444 9.6477 9.6477 9.7616 9.7616 10.4277 10.4277 k = 0.0000 0.0000 0.3388 ( 4494 PWs) bands (ev): -19.3141 -19.3141 -18.9665 -18.9665 -18.7159 -18.7159 -18.6794 -18.6794 -6.2315 -6.2315 -6.1077 -6.1077 -5.7711 -5.7711 -5.1451 -5.1451 -4.5254 -4.5254 -4.3514 -4.3514 -3.9759 -3.9759 -3.8442 -3.8442 -3.6646 -3.6646 -3.2022 -3.2022 -2.9379 -2.9379 -2.5903 -2.5903 7.8419 7.8419 8.0062 8.0062 8.6069 8.6069 8.8130 8.8130 9.5032 9.5032 9.6134 9.6134 9.8047 9.8047 10.4303 10.4303 k = 0.0000 0.0000 0.3588 ( 4492 PWs) bands (ev): -19.3076 -19.3076 -18.9755 -18.9755 -18.7159 -18.7159 -18.6775 -18.6775 -6.2258 -6.2258 -6.1143 -6.1143 -5.7584 -5.7584 -5.1552 -5.1552 -4.5179 -4.5179 -4.3589 -4.3589 -3.9699 -3.9699 -3.8424 -3.8424 -3.6406 -3.6406 -3.2019 -3.2019 -2.9671 -2.9671 -2.5997 -2.5997 7.8420 7.8420 8.0798 8.0798 8.6260 8.6260 8.7397 8.7397 9.4605 9.4605 9.5750 9.5750 9.8490 9.8490 10.4368 10.4368 k = 0.0000 0.0000 0.3787 ( 4496 PWs) bands (ev): -19.3012 -19.3012 -18.9841 -18.9841 -18.7159 -18.7159 -18.6758 -18.6758 -6.2203 -6.2203 -6.1207 -6.1207 -5.7461 -5.7461 -5.1650 -5.1650 -4.5102 -4.5102 -4.3665 -4.3665 -3.9638 -3.9638 -3.8434 -3.8434 -3.6136 -3.6136 -3.2023 -3.2023 -2.9967 -2.9967 -2.6083 -2.6083 7.8427 7.8427 8.1585 8.1585 8.6332 8.6332 8.6803 8.6803 9.4183 9.4183 9.5317 9.5317 9.8943 9.8943 10.4458 10.4458 k = 0.0000 0.0000 0.3986 ( 4488 PWs) bands (ev): -19.2951 -19.2951 -18.9922 -18.9922 -18.7159 -18.7159 -18.6743 -18.6743 -6.2148 -6.2148 -6.1268 -6.1268 -5.7343 -5.7343 -5.1744 -5.1744 -4.5022 -4.5022 -4.3740 -4.3740 -3.9575 -3.9575 -3.8465 -3.8465 -3.5846 -3.5846 -3.2035 -3.2035 -3.0261 -3.0261 -2.6161 -2.6161 7.8459 7.8459 8.2396 8.2396 8.5883 8.5883 8.6756 8.6756 9.3765 9.3765 9.4852 9.4852 9.9399 9.9399 10.4560 10.4560 k = 0.0000 0.0000 0.4186 ( 4494 PWs) bands (ev): -19.2894 -19.2894 -18.9996 -18.9996 -18.7159 -18.7159 -18.6731 -18.6731 -6.2096 -6.2096 -6.1328 -6.1328 -5.7233 -5.7233 -5.1832 -5.1832 -4.4942 -4.4942 -4.3815 -4.3815 -3.9512 -3.9512 -3.8508 -3.8508 -3.5545 -3.5545 -3.2060 -3.2060 -3.0546 -3.0546 -2.6229 -2.6229 7.8517 7.8517 8.3218 8.3218 8.5283 8.5283 8.6889 8.6889 9.3334 9.3334 9.4390 9.4390 9.9853 9.9853 10.4665 10.4665 k = 0.0000 0.0000 0.4385 ( 4490 PWs) bands (ev): -19.2842 -19.2842 -19.0063 -19.0063 -18.7159 -18.7159 -18.6720 -18.6720 -6.2046 -6.2046 -6.1384 -6.1384 -5.7134 -5.7134 -5.1911 -5.1911 -4.4862 -4.4862 -4.3890 -4.3890 -3.9449 -3.9449 -3.8558 -3.8558 -3.5239 -3.5239 -3.2106 -3.2106 -3.0810 -3.0810 -2.6287 -2.6287 7.8599 7.8599 8.4034 8.4034 8.4726 8.4726 8.7023 8.7023 9.2857 9.2857 9.3976 9.3976 10.0294 10.0294 10.4763 10.4763 k = 0.0000 0.0000 0.4584 ( 4494 PWs) bands (ev): -19.2796 -19.2796 -19.0121 -19.0121 -18.7159 -18.7159 -18.6711 -18.6711 -6.1998 -6.1998 -6.1436 -6.1436 -5.7048 -5.7048 -5.1980 -5.1980 -4.4783 -4.4783 -4.3964 -4.3964 -3.9388 -3.9388 -3.8613 -3.8613 -3.4937 -3.4937 -3.2182 -3.2182 -3.1038 -3.1038 -2.6336 -2.6336 7.8697 7.8697 8.4204 8.4204 8.4862 8.4862 8.7138 8.7138 9.2319 9.2319 9.3647 9.3647 10.0711 10.0711 10.4850 10.4850 k = 0.0000 0.0000 0.4784 ( 4500 PWs) bands (ev): -19.2759 -19.2759 -19.0168 -19.0168 -18.7159 -18.7159 -18.6704 -18.6704 -6.1955 -6.1955 -6.1484 -6.1484 -5.6978 -5.6978 -5.2037 -5.2037 -4.4709 -4.4709 -4.4033 -4.4033 -3.9331 -3.9331 -3.8666 -3.8666 -3.4650 -3.4650 -3.2293 -3.2293 -3.1213 -3.1213 -2.6374 -2.6374 7.8801 7.8801 8.3791 8.3791 8.5624 8.5624 8.7230 8.7230 9.1740 9.1740 9.3407 9.3407 10.1084 10.1084 10.4919 10.4919 k = 0.0000 0.0000 0.4983 ( 4476 PWs) bands (ev): -19.2731 -19.2731 -19.0203 -19.0203 -18.7159 -18.7159 -18.6699 -18.6699 -6.1919 -6.1919 -6.1523 -6.1523 -5.6926 -5.6926 -5.2079 -5.2079 -4.4643 -4.4643 -4.4095 -4.4095 -3.9282 -3.9282 -3.8713 -3.8713 -3.4398 -3.4398 -3.2430 -3.2430 -3.1329 -3.1329 -2.6402 -2.6402 7.8894 7.8894 8.3471 8.3471 8.6311 8.6311 8.7297 8.7297 9.1178 9.1178 9.3245 9.3245 10.1390 10.1390 10.4968 10.4968 k = 0.0000 0.0000 0.5182 ( 4478 PWs) bands (ev): -19.2713 -19.2713 -19.0224 -19.0224 -18.7159 -18.7159 -18.6696 -18.6696 -6.1894 -6.1894 -6.1550 -6.1550 -5.6894 -5.6894 -5.2105 -5.2105 -4.4595 -4.4595 -4.4141 -4.4141 -3.9248 -3.9248 -3.8746 -3.8746 -3.4212 -3.4212 -3.2552 -3.2552 -3.1392 -3.1392 -2.6418 -2.6418 7.8961 7.8961 8.3267 8.3267 8.6832 8.6832 8.7336 8.7336 9.0729 9.0729 9.3152 9.3152 10.1595 10.1595 10.4995 10.4995 k = 0.0000 0.0000 0.5382 ( 4486 PWs) bands (ev): -19.2708 -19.2708 -19.0231 -19.0231 -18.7159 -18.7159 -18.6695 -18.6695 -6.1884 -6.1884 -6.1561 -6.1561 -5.6884 -5.6884 -5.2114 -5.2114 -4.4576 -4.4576 -4.4159 -4.4159 -3.9236 -3.9236 -3.8758 -3.8758 -3.4141 -3.4141 -3.2604 -3.2604 -3.1411 -3.1411 -2.6424 -2.6424 7.8985 7.8985 8.3197 8.3197 8.7039 8.7039 8.7347 8.7347 9.0547 9.0547 9.3122 9.3122 10.1668 10.1668 10.5002 10.5002 k = 0.0000 0.0000 0.5382 ( 4486 PWs) bands (ev): -19.2708 -19.2708 -19.0231 -19.0231 -18.7159 -18.7159 -18.6695 -18.6695 -6.1884 -6.1884 -6.1561 -6.1561 -5.6884 -5.6884 -5.2114 -5.2114 -4.4576 -4.4576 -4.4159 -4.4159 -3.9236 -3.9236 -3.8758 -3.8758 -3.4141 -3.4141 -3.2604 -3.2604 -3.1411 -3.1411 -2.6424 -2.6424 7.8985 7.8985 8.3197 8.3197 8.7039 8.7039 8.7347 8.7347 9.0547 9.0547 9.3122 9.3122 10.1668 10.1668 10.5002 10.5002 k =-0.0185 0.0074 0.5382 ( 4478 PWs) bands (ev): -19.2704 -19.2704 -19.0231 -19.0231 -18.7180 -18.7180 -18.6677 -18.6677 -6.1911 -6.1911 -6.1527 -6.1527 -5.6885 -5.6885 -5.2119 -5.2119 -4.4619 -4.4619 -4.4104 -4.4104 -3.9235 -3.9235 -3.8756 -3.8756 -3.4142 -3.4142 -3.2611 -3.2611 -3.1409 -3.1409 -2.6436 -2.6436 7.8974 7.8974 8.3218 8.3218 8.6849 8.6849 8.7540 8.7540 9.0547 9.0547 9.3068 9.3068 10.1683 10.1683 10.5022 10.5022 k =-0.0370 0.0147 0.5382 ( 4480 PWs) bands (ev): -19.2694 -19.2694 -19.0231 -19.0231 -18.7238 -18.7238 -18.6631 -18.6631 -6.1972 -6.1972 -6.1446 -6.1446 -5.6889 -5.6889 -5.2134 -5.2134 -4.4710 -4.4710 -4.3977 -4.3977 -3.9233 -3.9233 -3.8750 -3.8750 -3.4144 -3.4144 -3.2631 -3.2631 -3.1401 -3.1401 -2.6472 -2.6472 7.8943 7.8943 8.3278 8.3278 8.6567 8.6567 8.7832 8.7832 9.0546 9.0546 9.2911 9.2911 10.1728 10.1728 10.5081 10.5081 k =-0.0556 0.0221 0.5382 ( 4470 PWs) bands (ev): -19.2677 -19.2677 -19.0231 -19.0231 -18.7317 -18.7317 -18.6570 -18.6570 -6.2044 -6.2044 -6.1341 -6.1341 -5.6896 -5.6896 -5.2161 -5.2161 -4.4812 -4.4812 -4.3816 -4.3816 -3.9229 -3.9229 -3.8740 -3.8740 -3.4149 -3.4149 -3.2665 -3.2665 -3.1388 -3.1388 -2.6531 -2.6531 7.8890 7.8890 8.3379 8.3379 8.6288 8.6288 8.8130 8.8130 9.0544 9.0544 9.2661 9.2661 10.1803 10.1803 10.5180 10.5180 k =-0.0741 0.0295 0.5382 ( 4476 PWs) bands (ev): -19.2654 -19.2654 -19.0231 -19.0231 -18.7411 -18.7411 -18.6502 -18.6502 -6.2118 -6.2118 -6.1220 -6.1220 -5.6905 -5.6905 -5.2197 -5.2197 -4.4910 -4.4910 -4.3635 -4.3635 -3.9224 -3.9224 -3.8727 -3.8727 -3.4155 -3.4155 -3.2711 -3.2711 -3.1372 -3.1372 -2.6614 -2.6614 7.8813 7.8813 8.3519 8.3519 8.6027 8.6027 8.8422 8.8422 9.0539 9.0539 9.2337 9.2337 10.1907 10.1907 10.5318 10.5318 k =-0.0926 0.0369 0.5382 ( 4480 PWs) bands (ev): -19.2624 -19.2624 -19.0231 -19.0231 -18.7514 -18.7514 -18.6433 -18.6433 -6.2192 -6.2192 -6.1087 -6.1087 -5.6917 -5.6917 -5.2244 -5.2244 -4.5000 -4.5000 -4.3439 -4.3439 -3.9217 -3.9217 -3.8710 -3.8710 -3.4163 -3.4163 -3.2768 -3.2768 -3.1353 -3.1353 -2.6719 -2.6719 7.8710 7.8710 8.3696 8.3696 8.5790 8.5790 8.8701 8.8701 9.0526 9.0526 9.1959 9.1959 10.2042 10.2042 10.5498 10.5498 k =-0.1111 0.0442 0.5382 ( 4474 PWs) bands (ev): -19.2587 -19.2587 -19.0231 -19.0231 -18.7623 -18.7623 -18.6365 -18.6365 -6.2263 -6.2263 -6.0944 -6.0944 -5.6931 -5.6931 -5.2301 -5.2301 -4.5081 -4.5081 -4.3231 -4.3231 -3.9207 -3.9207 -3.8690 -3.8690 -3.4172 -3.4172 -3.2834 -3.2834 -3.1332 -3.1332 -2.6845 -2.6845 7.8580 7.8580 8.3909 8.3909 8.5586 8.5586 8.8963 8.8963 9.0492 9.0492 9.1561 9.1561 10.2205 10.2205 10.5719 10.5719 k =-0.1296 0.0516 0.5382 ( 4476 PWs) bands (ev): -19.2544 -19.2544 -19.0231 -19.0231 -18.7738 -18.7738 -18.6298 -18.6298 -6.2332 -6.2332 -6.0790 -6.0790 -5.6947 -5.6947 -5.2367 -5.2367 -4.5152 -4.5152 -4.3012 -4.3012 -3.9196 -3.9196 -3.8668 -3.8668 -3.4183 -3.4183 -3.2909 -3.2909 -3.1309 -3.1309 -2.6992 -2.6992 7.8422 7.8422 8.4155 8.4155 8.5420 8.5420 8.9199 8.9199 9.0395 9.0395 9.1205 9.1205 10.2398 10.2398 10.5981 10.5981 k =-0.1481 0.0590 0.5382 ( 4476 PWs) bands (ev): -19.2495 -19.2495 -19.0231 -19.0231 -18.7856 -18.7856 -18.6233 -18.6233 -6.2399 -6.2399 -6.0626 -6.0626 -5.6965 -5.6965 -5.2444 -5.2444 -4.5214 -4.5214 -4.2784 -4.2784 -3.9183 -3.9183 -3.8645 -3.8645 -3.4196 -3.4196 -3.2991 -3.2991 -3.1287 -3.1287 -2.7157 -2.7157 7.8234 7.8234 8.4428 8.4428 8.5302 8.5302 8.9386 8.9386 9.0170 9.0170 9.0992 9.0992 10.2620 10.2620 10.6285 10.6285 k =-0.1667 0.0663 0.5382 ( 4472 PWs) bands (ev): -19.2439 -19.2439 -19.0231 -19.0231 -18.7979 -18.7979 -18.6172 -18.6172 -6.2463 -6.2463 -6.0453 -6.0453 -5.6985 -5.6985 -5.2530 -5.2530 -4.5267 -4.5267 -4.2548 -4.2548 -3.9167 -3.9167 -3.8619 -3.8619 -3.4210 -3.4210 -3.3078 -3.3078 -3.1265 -3.1265 -2.7340 -2.7340 7.8020 7.8020 8.4711 8.4711 8.5247 8.5247 8.9404 8.9404 8.9941 8.9941 9.0927 9.0927 10.2871 10.2871 10.6630 10.6630 k =-0.1852 0.0737 0.5382 ( 4478 PWs) bands (ev): -19.2377 -19.2377 -19.0230 -19.0230 -18.8105 -18.8105 -18.6114 -18.6114 -6.2525 -6.2525 -6.0271 -6.0271 -5.7006 -5.7006 -5.2625 -5.2625 -4.5310 -4.5310 -4.2304 -4.2304 -3.9148 -3.9148 -3.8593 -3.8593 -3.4225 -3.4225 -3.3171 -3.3171 -3.1244 -3.1244 -2.7538 -2.7538 7.7780 7.7780 8.4941 8.4941 8.5316 8.5316 8.9072 8.9072 8.9971 8.9971 9.0936 9.0936 10.3150 10.3150 10.7012 10.7012 k =-0.2037 0.0811 0.5382 ( 4478 PWs) bands (ev): -19.2310 -19.2310 -19.0230 -19.0230 -18.8234 -18.8234 -18.6059 -18.6059 -6.2584 -6.2584 -6.0080 -6.0080 -5.7028 -5.7028 -5.2729 -5.2729 -4.5346 -4.5346 -4.2055 -4.2055 -3.9128 -3.9128 -3.8566 -3.8566 -3.4241 -3.4241 -3.3268 -3.3268 -3.1223 -3.1223 -2.7750 -2.7750 7.7520 7.7520 8.5044 8.5044 8.5579 8.5579 8.8604 8.8604 9.0092 9.0092 9.0982 9.0982 10.3457 10.3457 10.7429 10.7429 k =-0.2222 0.0885 0.5382 ( 4486 PWs) bands (ev): -19.2236 -19.2236 -19.0230 -19.0230 -18.8366 -18.8366 -18.6007 -18.6007 -6.2641 -6.2641 -5.9881 -5.9881 -5.7050 -5.7050 -5.2842 -5.2842 -4.5373 -4.5373 -4.1802 -4.1802 -3.9104 -3.9104 -3.8539 -3.8539 -3.4258 -3.4258 -3.3367 -3.3367 -3.1204 -3.1204 -2.7973 -2.7973 7.7244 7.7244 8.5114 8.5114 8.5934 8.5934 8.8112 8.8112 9.0214 9.0214 9.1049 9.1049 10.3792 10.3792 10.7876 10.7876 k =-0.2407 0.0958 0.5382 ( 4494 PWs) bands (ev): -19.2157 -19.2157 -19.0230 -19.0230 -18.8500 -18.8500 -18.5959 -18.5959 -6.2695 -6.2695 -5.9675 -5.9675 -5.7073 -5.7073 -5.2963 -5.2963 -4.5394 -4.5394 -4.1546 -4.1546 -3.9078 -3.9078 -3.8513 -3.8513 -3.4276 -3.4276 -3.3469 -3.3469 -3.1186 -3.1186 -2.8206 -2.8206 7.6957 7.6957 8.5203 8.5203 8.6320 8.6320 8.7623 8.7623 9.0324 9.0324 9.1129 9.1129 10.4153 10.4153 10.8346 10.8346 k =-0.2593 0.1032 0.5382 ( 4496 PWs) bands (ev): -19.2073 -19.2073 -19.0230 -19.0230 -18.8636 -18.8636 -18.5914 -18.5914 -6.2747 -6.2747 -5.9462 -5.9462 -5.7096 -5.7096 -5.3092 -5.3092 -4.5409 -4.5409 -4.1289 -4.1289 -3.9049 -3.9049 -3.8487 -3.8487 -3.4295 -3.4295 -3.3572 -3.3572 -3.1170 -3.1170 -2.8445 -2.8445 7.6665 7.6665 8.5323 8.5323 8.6717 8.6717 8.7149 8.7149 9.0421 9.0421 9.1219 9.1219 10.4541 10.4541 10.8828 10.8828 k =-0.2778 0.1106 0.5382 ( 4492 PWs) bands (ev): -19.1984 -19.1984 -19.0230 -19.0230 -18.8774 -18.8774 -18.5872 -18.5872 -6.2796 -6.2796 -5.9245 -5.9245 -5.7119 -5.7119 -5.3228 -5.3228 -4.5418 -4.5418 -4.1034 -4.1034 -3.9017 -3.9017 -3.8462 -3.8462 -3.4314 -3.4314 -3.3674 -3.3674 -3.1155 -3.1155 -2.8688 -2.8688 7.6373 7.6373 8.5471 8.5471 8.6695 8.6695 8.7113 8.7113 9.0504 9.0504 9.1318 9.1318 10.4955 10.4955 10.9308 10.9308 k =-0.2963 0.1179 0.5382 ( 4492 PWs) bands (ev): -19.1889 -19.1889 -19.0229 -19.0229 -18.8912 -18.8912 -18.5834 -18.5834 -6.2842 -6.2842 -5.9024 -5.9024 -5.7141 -5.7141 -5.3370 -5.3370 -4.5423 -4.5423 -4.0783 -4.0783 -3.8981 -3.8981 -3.8439 -3.8439 -3.4334 -3.4334 -3.3776 -3.3776 -3.1142 -3.1142 -2.8931 -2.8931 7.6087 7.6087 8.5645 8.5645 8.6268 8.6268 8.7496 8.7496 9.0571 9.0571 9.1432 9.1432 10.5394 10.5394 10.9752 10.9752 k =-0.3148 0.1253 0.5382 ( 4492 PWs) bands (ev): -19.1791 -19.1791 -19.0229 -19.0229 -18.9052 -18.9052 -18.5800 -18.5800 -6.2885 -6.2885 -5.8801 -5.8801 -5.7162 -5.7162 -5.3519 -5.3519 -4.5424 -4.5424 -4.0540 -4.0540 -3.8941 -3.8941 -3.8417 -3.8417 -3.4355 -3.4355 -3.3876 -3.3876 -3.1130 -3.1130 -2.9173 -2.9173 7.5812 7.5812 8.5796 8.5796 8.5918 8.5918 8.7855 8.7855 9.0614 9.0614 9.1568 9.1568 10.5857 10.5857 11.0090 11.0090 k =-0.3333 0.1327 0.5382 ( 4504 PWs) bands (ev): -19.1688 -19.1688 -19.0229 -19.0229 -18.9192 -18.9192 -18.5768 -18.5768 -6.2925 -6.2925 -5.8577 -5.8577 -5.7182 -5.7182 -5.3673 -5.3673 -4.5422 -4.5422 -4.0308 -4.0308 -3.8897 -3.8897 -3.8397 -3.8397 -3.4376 -3.4376 -3.3972 -3.3972 -3.1120 -3.1120 -2.9408 -2.9408 7.5550 7.5550 8.5486 8.5486 8.6081 8.6081 8.8178 8.8178 9.0628 9.0628 9.1735 9.1735 10.6343 10.6343 11.0243 11.0243 k =-0.3519 0.1401 0.5382 ( 4512 PWs) bands (ev): -19.1582 -19.1582 -19.0229 -19.0229 -18.9332 -18.9332 -18.5741 -18.5741 -6.2961 -6.2961 -5.8356 -5.8356 -5.7200 -5.7200 -5.3829 -5.3829 -4.5417 -4.5417 -4.0092 -4.0092 -3.8846 -3.8846 -3.8379 -3.8379 -3.4399 -3.4399 -3.4063 -3.4063 -3.1112 -3.1112 -2.9634 -2.9634 7.5307 7.5307 8.5153 8.5153 8.6319 8.6319 8.8458 8.8458 9.0608 9.0608 9.1936 9.1936 10.6852 10.6852 11.0286 11.0286 k =-0.3704 0.1474 0.5382 ( 4508 PWs) bands (ev): -19.1472 -19.1472 -19.0229 -19.0229 -18.9471 -18.9471 -18.5716 -18.5716 -6.2993 -6.2993 -5.8139 -5.8139 -5.7216 -5.7216 -5.3987 -5.3987 -4.5412 -4.5412 -3.9898 -3.9898 -3.8787 -3.8787 -3.8363 -3.8363 -3.4423 -3.4423 -3.4146 -3.4146 -3.1106 -3.1106 -2.9847 -2.9847 7.5086 7.5086 8.4854 8.4854 8.6572 8.6572 8.8688 8.8688 9.0558 9.0558 9.2166 9.2166 10.7380 10.7380 11.0319 11.0319 k =-0.3889 0.1548 0.5382 ( 4506 PWs) bands (ev): -19.1361 -19.1361 -19.0229 -19.0229 -18.9609 -18.9609 -18.5695 -18.5695 -6.3021 -6.3021 -5.7931 -5.7931 -5.7229 -5.7229 -5.4144 -5.4144 -4.5405 -4.5405 -3.9729 -3.9729 -3.8721 -3.8721 -3.8349 -3.8349 -3.4451 -3.4451 -3.4219 -3.4219 -3.1102 -3.1102 -3.0041 -3.0041 7.4889 7.4889 8.4592 8.4592 8.6837 8.6837 8.8865 8.8865 9.0481 9.0481 9.2413 9.2413 10.7925 10.7925 11.0379 11.0379 k =-0.4074 0.1622 0.5382 ( 4504 PWs) bands (ev): -19.1248 -19.1248 -19.0229 -19.0229 -18.9743 -18.9743 -18.5677 -18.5677 -6.3046 -6.3046 -5.7736 -5.7736 -5.7238 -5.7238 -5.4296 -5.4296 -4.5398 -4.5398 -3.9591 -3.9591 -3.8648 -3.8648 -3.8337 -3.8337 -3.4482 -3.4482 -3.4279 -3.4279 -3.1100 -3.1100 -3.0214 -3.0214 7.4718 7.4718 8.4367 8.4367 8.7106 8.7106 8.8987 8.8987 9.0387 9.0387 9.2662 9.2662 10.8485 10.8485 11.0480 11.0480 k =-0.4259 0.1695 0.5382 ( 4506 PWs) bands (ev): -19.1136 -19.1136 -19.0229 -19.0229 -18.9873 -18.9873 -18.5662 -18.5662 -6.3066 -6.3066 -5.7564 -5.7564 -5.7241 -5.7241 -5.4438 -5.4438 -4.5392 -4.5392 -3.9483 -3.9483 -3.8573 -3.8573 -3.8326 -3.8326 -3.4518 -3.4518 -3.4324 -3.4324 -3.1100 -3.1100 -3.0360 -3.0360 7.4576 7.4576 8.4183 8.4183 8.7375 8.7375 8.9052 8.9052 9.0289 9.0289 9.2896 9.2896 10.9051 10.9051 11.0626 11.0626 k =-0.4444 0.1769 0.5382 ( 4508 PWs) bands (ev): -19.1028 -19.1028 -19.0229 -19.0229 -18.9995 -18.9995 -18.5651 -18.5651 -6.3081 -6.3081 -5.7430 -5.7430 -5.7228 -5.7228 -5.4563 -5.4563 -4.5386 -4.5386 -3.9405 -3.9405 -3.8503 -3.8503 -3.8315 -3.8315 -3.4554 -3.4554 -3.4354 -3.4354 -3.1102 -3.1102 -3.0476 -3.0476 7.4463 7.4463 8.4038 8.4038 8.7634 8.7634 8.9059 8.9059 9.0201 9.0201 9.3097 9.3097 10.9608 10.9608 11.0817 11.0817 k =-0.4630 0.1843 0.5382 ( 4504 PWs) bands (ev): -19.0932 -19.0932 -19.0228 -19.0228 -19.0101 -19.0101 -18.5643 -18.5643 -6.3093 -6.3093 -5.7356 -5.7356 -5.7186 -5.7186 -5.4663 -5.4663 -4.5382 -4.5382 -3.9353 -3.9353 -3.8448 -3.8448 -3.8305 -3.8305 -3.4585 -3.4585 -3.4373 -3.4373 -3.1106 -3.1106 -3.0560 -3.0560 7.4382 7.4382 8.3934 8.3934 8.7868 8.7868 8.9014 8.9014 9.0136 9.0136 9.3251 9.3251 11.0120 11.0120 11.1042 11.1042 k =-0.4815 0.1917 0.5382 ( 4508 PWs) bands (ev): -19.0859 -19.0859 -19.0229 -19.0229 -19.0180 -19.0180 -18.5638 -18.5638 -6.3100 -6.3100 -5.7332 -5.7332 -5.7135 -5.7135 -5.4729 -5.4729 -4.5379 -4.5379 -3.9323 -3.9323 -3.8415 -3.8415 -3.8296 -3.8296 -3.4605 -3.4605 -3.4383 -3.4383 -3.1109 -3.1109 -3.0610 -3.0610 7.4334 7.4334 8.3872 8.3872 8.8050 8.8050 8.8944 8.8944 9.0098 9.0098 9.3349 9.3349 11.0498 11.0498 11.1262 11.1262 k =-0.5000 0.1990 0.5382 ( 4512 PWs) bands (ev): -19.0830 -19.0830 -19.0229 -19.0229 -19.0211 -19.0211 -18.5637 -18.5637 -6.3102 -6.3102 -5.7327 -5.7327 -5.7114 -5.7114 -5.4752 -5.4752 -4.5378 -4.5378 -3.9313 -3.9313 -3.8404 -3.8404 -3.8291 -3.8291 -3.4612 -3.4612 -3.4387 -3.4387 -3.1110 -3.1110 -3.0627 -3.0627 7.4317 7.4317 8.3851 8.3851 8.8123 8.8123 8.8907 8.8907 9.0086 9.0086 9.3382 9.3382 11.0633 11.0633 11.1316 11.1316 k =-0.5000 0.1990 0.5382 ( 4512 PWs) bands (ev): -19.0830 -19.0830 -19.0229 -19.0229 -19.0211 -19.0211 -18.5637 -18.5637 -6.3102 -6.3102 -5.7327 -5.7327 -5.7114 -5.7114 -5.4752 -5.4752 -4.5378 -4.5378 -3.9313 -3.9313 -3.8404 -3.8404 -3.8291 -3.8291 -3.4612 -3.4612 -3.4387 -3.4387 -3.1110 -3.1110 -3.0627 -3.0627 7.4317 7.4317 8.3851 8.3851 8.8123 8.8123 8.8907 8.8907 9.0086 9.0086 9.3382 9.3382 11.0633 11.0633 11.1316 11.1316 k =-0.4868 0.1938 0.5240 ( 4504 PWs) bands (ev): -19.0860 -19.0860 -19.0220 -19.0220 -19.0188 -19.0188 -18.5638 -18.5638 -6.3100 -6.3100 -5.7332 -5.7332 -5.7134 -5.7134 -5.4729 -5.4729 -4.5379 -4.5379 -3.9323 -3.9323 -3.8415 -3.8415 -3.8296 -3.8296 -3.4607 -3.4607 -3.4382 -3.4382 -3.1109 -3.1109 -3.0610 -3.0610 7.4334 7.4334 8.3872 8.3872 8.8048 8.8048 8.8946 8.8946 9.0098 9.0098 9.3348 9.3348 11.0493 11.0493 11.1228 11.1229 k =-0.4737 0.1886 0.5098 ( 4502 PWs) bands (ev): -19.0935 -19.0935 -19.0213 -19.0213 -19.0114 -19.0114 -18.5643 -18.5643 -6.3093 -6.3093 -5.7353 -5.7353 -5.7190 -5.7190 -5.4662 -5.4662 -4.5382 -4.5382 -3.9353 -3.9353 -3.8448 -3.8448 -3.8305 -3.8305 -3.4609 -3.4609 -3.4349 -3.4349 -3.1106 -3.1106 -3.0560 -3.0560 7.4383 7.4383 8.3935 8.3935 8.7852 8.7852 8.9034 8.9034 9.0132 9.0132 9.3251 9.3251 11.0093 11.0093 11.0862 11.0862 k =-0.4605 0.1833 0.4957 ( 4502 PWs) bands (ev): -19.1036 -19.1036 -19.0203 -19.0203 -19.0013 -19.0013 -18.5651 -18.5651 -6.3081 -6.3081 -5.7408 -5.7408 -5.7253 -5.7253 -5.4560 -5.4560 -4.5387 -4.5387 -3.9405 -3.9405 -3.8502 -3.8502 -3.8315 -3.8315 -3.4648 -3.4648 -3.4260 -3.4260 -3.1102 -3.1102 -3.0477 -3.0477 7.4466 7.4466 8.4040 8.4040 8.7580 8.7580 8.9130 8.9130 9.0182 9.0182 9.3098 9.3098 10.9538 10.9538 11.0425 11.0425 k =-0.4474 0.1781 0.4815 ( 4502 PWs) bands (ev): -19.1149 -19.1149 -19.0189 -19.0189 -18.9899 -18.9899 -18.5663 -18.5663 -6.3066 -6.3066 -5.7519 -5.7519 -5.7295 -5.7295 -5.4429 -5.4429 -4.5393 -4.5393 -3.9480 -3.9480 -3.8570 -3.8570 -3.8324 -3.8324 -3.4723 -3.4723 -3.4121 -3.4121 -3.1100 -3.1100 -3.0363 -3.0363 7.4580 7.4580 8.4187 8.4187 8.7254 8.7254 8.9217 8.9217 9.0238 9.0238 9.2908 9.2908 10.8914 10.8914 10.9975 10.9975 k =-0.4342 0.1728 0.4673 ( 4502 PWs) bands (ev): -19.1269 -19.1269 -19.0172 -19.0172 -18.9778 -18.9778 -18.5677 -18.5677 -6.3045 -6.3045 -5.7670 -5.7670 -5.7323 -5.7323 -5.4279 -5.4279 -4.5401 -4.5401 -3.9581 -3.9581 -3.8645 -3.8645 -3.8331 -3.8331 -3.4824 -3.4824 -3.3944 -3.3944 -3.1098 -3.1098 -3.0221 -3.0221 7.4726 7.4726 8.4375 8.4375 8.6887 8.6887 8.9288 8.9288 9.0278 9.0278 9.2710 9.2710 10.8258 10.8258 10.9534 10.9534 k =-0.4211 0.1676 0.4532 ( 4506 PWs) bands (ev): -19.1392 -19.1392 -19.0151 -19.0151 -18.9654 -18.9654 -18.5695 -18.5695 -6.3021 -6.3021 -5.7842 -5.7842 -5.7348 -5.7348 -5.4115 -5.4115 -4.5410 -4.5410 -3.9707 -3.9707 -3.8720 -3.8720 -3.8337 -3.8337 -3.4943 -3.4943 -3.3743 -3.3743 -3.1097 -3.1097 -3.0056 -3.0056 7.4904 7.4904 8.4605 8.4605 8.6488 8.6488 8.9331 8.9331 9.0275 9.0275 9.2546 9.2546 10.7586 10.7586 10.9116 10.9116 k =-0.4079 0.1624 0.4390 ( 4514 PWs) bands (ev): -19.1516 -19.1516 -19.0127 -19.0127 -18.9529 -18.9529 -18.5716 -18.5716 -6.2993 -6.2993 -5.8028 -5.8028 -5.7375 -5.7375 -5.3943 -5.3943 -4.5420 -4.5420 -3.9854 -3.9854 -3.8792 -3.8792 -3.8342 -3.8342 -3.5076 -3.5076 -3.3524 -3.3524 -3.1093 -3.1093 -2.9872 -2.9872 7.5111 7.5111 8.4875 8.4875 8.6067 8.6067 8.9319 8.9319 9.0210 9.0210 9.2470 9.2470 10.6907 10.6907 10.8731 10.8731 k =-0.3947 0.1571 0.4249 ( 4516 PWs) bands (ev): -19.1640 -19.1640 -19.0098 -19.0098 -18.9404 -18.9404 -18.5740 -18.5740 -6.2962 -6.2962 -5.8221 -5.8221 -5.7404 -5.7404 -5.3765 -5.3765 -4.5432 -4.5432 -4.0020 -4.0020 -3.8862 -3.8862 -3.8344 -3.8344 -3.5218 -3.5218 -3.3296 -3.3296 -3.1084 -3.1084 -2.9672 -2.9672 7.5346 7.5346 8.5186 8.5186 8.5632 8.5632 8.9188 8.9188 9.0120 9.0120 9.2514 9.2514 10.6227 10.6227 10.8384 10.8384 k =-0.3816 0.1519 0.4107 ( 4508 PWs) bands (ev): -19.1764 -19.1764 -19.0067 -19.0067 -18.9279 -18.9279 -18.5767 -18.5767 -6.2927 -6.2927 -5.8418 -5.8418 -5.7437 -5.7437 -5.3585 -5.3585 -4.5445 -4.5445 -4.0199 -4.0199 -3.8930 -3.8930 -3.8345 -3.8345 -3.5369 -3.5369 -3.3066 -3.3066 -3.1067 -3.1067 -2.9459 -2.9459 7.5609 7.5609 8.5188 8.5188 8.5538 8.5538 8.8875 8.8875 9.0081 9.0081 9.2672 9.2672 10.5548 10.5548 10.8079 10.8079 k =-0.3684 0.1467 0.3965 ( 4504 PWs) bands (ev): -19.1886 -19.1886 -19.0031 -19.0031 -18.9155 -18.9155 -18.5798 -18.5798 -6.2890 -6.2890 -5.8616 -5.8616 -5.7473 -5.7473 -5.3404 -5.3404 -4.5458 -4.5458 -4.0387 -4.0387 -3.8996 -3.8996 -3.8343 -3.8343 -3.5525 -3.5525 -3.2842 -3.2842 -3.1036 -3.1036 -2.9236 -2.9236 7.5898 7.5898 8.4747 8.4747 8.5928 8.5928 8.8393 8.8393 9.0109 9.0109 9.2922 9.2922 10.4874 10.4874 10.7817 10.7817 k =-0.3553 0.1414 0.3824 ( 4508 PWs) bands (ev): -19.2006 -19.2006 -18.9993 -18.9993 -18.9033 -18.9033 -18.5831 -18.5831 -6.2851 -6.2851 -5.8813 -5.8813 -5.7512 -5.7512 -5.3223 -5.3223 -4.5472 -4.5472 -4.0580 -4.0580 -3.9062 -3.9062 -3.8340 -3.8340 -3.5686 -3.5686 -3.2632 -3.2632 -3.0985 -3.0985 -2.9006 -2.9006 7.6210 7.6210 8.4314 8.4314 8.6356 8.6356 8.7795 8.7795 9.0178 9.0178 9.3243 9.3243 10.4206 10.4206 10.7599 10.7599 k =-0.3421 0.1362 0.3682 ( 4496 PWs) bands (ev): -19.2125 -19.2125 -18.9951 -18.9951 -18.8912 -18.8912 -18.5867 -18.5867 -6.2810 -6.2810 -5.9007 -5.9007 -5.7556 -5.7556 -5.3044 -5.3044 -4.5486 -4.5486 -4.0775 -4.0775 -3.9129 -3.9129 -3.8336 -3.8336 -3.5849 -3.5849 -3.2446 -3.2446 -3.0906 -3.0906 -2.8770 -2.8770 7.6545 7.6545 8.3893 8.3893 8.6822 8.6822 8.7119 8.7119 9.0272 9.0272 9.3619 9.3619 10.3549 10.3549 10.7423 10.7423 k =-0.3289 0.1309 0.3541 ( 4502 PWs) bands (ev): -19.2241 -19.2241 -18.9906 -18.9906 -18.8794 -18.8794 -18.5906 -18.5906 -6.2768 -6.2768 -5.9196 -5.9196 -5.7603 -5.7603 -5.2867 -5.2867 -4.5500 -4.5500 -4.0970 -4.0970 -3.9196 -3.9196 -3.8331 -3.8331 -3.6015 -3.6015 -3.2293 -3.2293 -3.0794 -3.0794 -2.8529 -2.8529 7.6898 7.6898 8.3492 8.3492 8.6386 8.6386 8.7327 8.7327 9.0386 9.0386 9.4041 9.4041 10.2902 10.2902 10.7287 10.7287 k =-0.3158 0.1257 0.3399 ( 4498 PWs) bands (ev): -19.2354 -19.2354 -18.9858 -18.9858 -18.8679 -18.8679 -18.5948 -18.5948 -6.2726 -6.2726 -5.9380 -5.9380 -5.7653 -5.7653 -5.2694 -5.2694 -4.5514 -4.5514 -4.1162 -4.1162 -3.9264 -3.9264 -3.8328 -3.8328 -3.6180 -3.6180 -3.2176 -3.2176 -3.0644 -3.0644 -2.8286 -2.8286 7.7267 7.7267 8.3113 8.3113 8.5616 8.5616 8.7867 8.7867 9.0515 9.0515 9.4503 9.4503 10.2269 10.2269 10.7182 10.7182 k =-0.3026 0.1205 0.3257 ( 4494 PWs) bands (ev): -19.2464 -19.2464 -18.9807 -18.9807 -18.8566 -18.8566 -18.5992 -18.5992 -6.2685 -6.2685 -5.9555 -5.9555 -5.7708 -5.7708 -5.2524 -5.2524 -4.5528 -4.5528 -4.1350 -4.1350 -3.9333 -3.9333 -3.8327 -3.8327 -3.6344 -3.6344 -3.2095 -3.2095 -3.0460 -3.0460 -2.8042 -2.8042 7.7650 7.7650 8.2760 8.2760 8.4819 8.4819 8.8442 8.8442 9.0661 9.0661 9.4999 9.4999 10.1651 10.1651 10.7077 10.7077 k =-0.2895 0.1152 0.3116 ( 4490 PWs) bands (ev): -19.2572 -19.2572 -18.9753 -18.9753 -18.8457 -18.8457 -18.6039 -18.6039 -6.2647 -6.2647 -5.9721 -5.9721 -5.7765 -5.7765 -5.2359 -5.2359 -4.5542 -4.5542 -4.1531 -4.1531 -3.9401 -3.9401 -3.8332 -3.8332 -3.6504 -3.6504 -3.2042 -3.2042 -3.0250 -3.0250 -2.7798 -2.7798 7.8044 7.8044 8.2436 8.2436 8.4006 8.4006 8.9051 8.9051 9.0826 9.0826 9.5526 9.5526 10.1050 10.1050 10.6805 10.6805 k =-0.2763 0.1100 0.2974 ( 4492 PWs) bands (ev): -19.2676 -19.2676 -18.9697 -18.9697 -18.8350 -18.8350 -18.6089 -18.6089 -6.2611 -6.2611 -5.9875 -5.9875 -5.7826 -5.7826 -5.2197 -5.2197 -4.5555 -4.5555 -4.1705 -4.1705 -3.9469 -3.9469 -3.8346 -3.8346 -3.6657 -3.6657 -3.2012 -3.2012 -3.0022 -3.0022 -2.7554 -2.7554 7.8443 7.8443 8.2140 8.2140 8.3187 8.3187 8.9692 8.9692 9.1010 9.1010 9.6080 9.6080 10.0467 10.0467 10.6215 10.6215 k =-0.2632 0.1048 0.2832 ( 4488 PWs) bands (ev): -19.2776 -19.2776 -18.9638 -18.9638 -18.8247 -18.8247 -18.6140 -18.6140 -6.2580 -6.2580 -6.0017 -6.0017 -5.7890 -5.7890 -5.2041 -5.2041 -4.5569 -4.5569 -4.1869 -4.1869 -3.9536 -3.9536 -3.8372 -3.8372 -3.6799 -3.6799 -3.1996 -3.1996 -2.9784 -2.9784 -2.7312 -2.7312 7.8845 7.8845 8.1860 8.1860 8.2387 8.2387 9.0362 9.0362 9.1220 9.1220 9.6654 9.6654 9.9905 9.9905 10.5513 10.5513 k =-0.2500 0.0995 0.2691 ( 4472 PWs) bands (ev): -19.2873 -19.2873 -18.9577 -18.9577 -18.8148 -18.8148 -18.6194 -18.6194 -6.2556 -6.2556 -6.0143 -6.0143 -5.7957 -5.7957 -5.1890 -5.1890 -4.5582 -4.5582 -4.2022 -4.2022 -3.9603 -3.9603 -3.8416 -3.8416 -3.6925 -3.6925 -3.1991 -3.1991 -2.9541 -2.9541 -2.7073 -2.7073 7.9245 7.9245 8.1420 8.1420 8.1788 8.1788 9.1047 9.1047 9.1469 9.1469 9.7241 9.7241 9.9364 9.9364 10.4775 10.4775 k =-0.2368 0.0943 0.2549 ( 4480 PWs) bands (ev): -19.2966 -19.2966 -18.9514 -18.9514 -18.8053 -18.8053 -18.6251 -18.6251 -6.2539 -6.2539 -6.0254 -6.0254 -5.8027 -5.8027 -5.1745 -5.1745 -4.5595 -4.5595 -4.2162 -4.2162 -3.9667 -3.9667 -3.8482 -3.8482 -3.7030 -3.7030 -3.1994 -3.1994 -2.9298 -2.9298 -2.6838 -2.6838 7.9639 7.9639 8.0667 8.0667 8.1553 8.1553 9.1609 9.1609 9.1897 9.1897 9.7828 9.7828 9.8851 9.8851 10.4024 10.4024 k =-0.2237 0.0890 0.2408 ( 4478 PWs) bands (ev): -19.3055 -19.3055 -18.9449 -18.9449 -18.7962 -18.7962 -18.6309 -18.6309 -6.2532 -6.2532 -6.0346 -6.0346 -5.8098 -5.8098 -5.1605 -5.1605 -4.5609 -4.5609 -4.2289 -4.2289 -3.9731 -3.9731 -3.8574 -3.8574 -3.7112 -3.7112 -3.2001 -3.2001 -2.9059 -2.9059 -2.6607 -2.6607 7.9880 7.9880 8.0025 8.0025 8.1406 8.1406 9.1939 9.1939 9.2613 9.2613 9.8273 9.8273 9.8482 9.8482 10.3289 10.3289 k =-0.2105 0.0838 0.2266 ( 4476 PWs) bands (ev): -19.3139 -19.3139 -18.9383 -18.9383 -18.7875 -18.7875 -18.6368 -18.6368 -6.2535 -6.2535 -6.0419 -6.0419 -5.8172 -5.8172 -5.1472 -5.1472 -4.5623 -4.5623 -4.2401 -4.2401 -3.9792 -3.9792 -3.8692 -3.8692 -3.7170 -3.7170 -3.2012 -3.2012 -2.8826 -2.8826 -2.6382 -2.6382 7.9110 7.9110 8.0389 8.0389 8.1311 8.1311 9.2261 9.2261 9.3390 9.3390 9.7871 9.7871 9.8918 9.8918 10.2624 10.2624 k =-0.1974 0.0786 0.2124 ( 4474 PWs) bands (ev): -19.3219 -19.3219 -18.9315 -18.9315 -18.7793 -18.7793 -18.6430 -18.6430 -6.2548 -6.2548 -6.0473 -6.0473 -5.8248 -5.8248 -5.1345 -5.1345 -4.5638 -4.5638 -4.2497 -4.2497 -3.9850 -3.9850 -3.8835 -3.8835 -3.7205 -3.7205 -3.2025 -3.2025 -2.8601 -2.8601 -2.6164 -2.6164 7.8362 7.8362 8.0726 8.0726 8.1271 8.1271 9.2609 9.2609 9.4189 9.4189 9.7443 9.7443 9.9222 9.9222 10.2155 10.2155 k =-0.1842 0.0733 0.1983 ( 4481 PWs) bands (ev): -19.3295 -19.3295 -18.9246 -18.9246 -18.7715 -18.7715 -18.6492 -18.6492 -6.2571 -6.2571 -6.0508 -6.0508 -5.8325 -5.8325 -5.1224 -5.1224 -4.5655 -4.5655 -4.2575 -4.2575 -3.9907 -3.9907 -3.8997 -3.8997 -3.7222 -3.7222 -3.2039 -3.2039 -2.8386 -2.8386 -2.5953 -2.5953 7.7643 7.7643 8.0998 8.0998 8.1318 8.1318 9.2986 9.2986 9.4988 9.4988 9.7060 9.7060 9.9153 9.9153 10.2070 10.2070 k =-0.1711 0.0681 0.1841 ( 4487 PWs) bands (ev): -19.3366 -19.3366 -18.9176 -18.9176 -18.7642 -18.7642 -18.6555 -18.6555 -6.2603 -6.2603 -6.0524 -6.0524 -5.8403 -5.8403 -5.1111 -5.1111 -4.5673 -4.5673 -4.2634 -4.2634 -3.9960 -3.9960 -3.9175 -3.9175 -3.7225 -3.7225 -3.2053 -3.2053 -2.8181 -2.8181 -2.5751 -2.5751 7.6957 7.6957 8.1141 8.1141 8.1511 8.1511 9.3392 9.3392 9.5695 9.5695 9.6805 9.6805 9.8707 9.8707 10.2385 10.2385 k =-0.1579 0.0629 0.1699 ( 4483 PWs) bands (ev): -19.3432 -19.3432 -18.9107 -18.9107 -18.7573 -18.7573 -18.6619 -18.6619 -6.2642 -6.2642 -6.0525 -6.0525 -5.8482 -5.8482 -5.1005 -5.1005 -4.5692 -4.5692 -4.2675 -4.2675 -4.0011 -4.0011 -3.9365 -3.9365 -3.7218 -3.7218 -3.2068 -3.2068 -2.7989 -2.7989 -2.5558 -2.5558 7.6308 7.6308 8.1233 8.1233 8.1771 8.1771 9.3825 9.3825 9.5922 9.5922 9.6995 9.6995 9.8136 9.8136 10.2916 10.2916 k =-0.1447 0.0576 0.1558 ( 4479 PWs) bands (ev): -19.3493 -19.3493 -18.9037 -18.9037 -18.7510 -18.7510 -18.6683 -18.6683 -6.2687 -6.2687 -6.0512 -6.0512 -5.8561 -5.8561 -5.0907 -5.0907 -4.5713 -4.5713 -4.2696 -4.2696 -4.0059 -4.0059 -3.9562 -3.9562 -3.7203 -3.7203 -3.2083 -3.2083 -2.7810 -2.7810 -2.5376 -2.5376 7.5700 7.5700 8.1341 8.1341 8.2028 8.2028 9.4281 9.4281 9.5714 9.5714 9.6979 9.6979 9.8175 9.8175 10.3538 10.3538 k =-0.1316 0.0524 0.1416 ( 4483 PWs) bands (ev): -19.3550 -19.3550 -18.8968 -18.8968 -18.7452 -18.7452 -18.6747 -18.6747 -6.2735 -6.2735 -6.0487 -6.0487 -5.8640 -5.8640 -5.0816 -5.0816 -4.5736 -4.5736 -4.2697 -4.2697 -4.0105 -4.0105 -3.9763 -3.9763 -3.7185 -3.7185 -3.2097 -3.2097 -2.7644 -2.7644 -2.5206 -2.5206 7.5135 7.5135 8.1477 8.1477 8.2266 8.2266 9.4751 9.4751 9.5438 9.5438 9.6305 9.6305 9.8964 9.8964 10.4193 10.4193 k =-0.1184 0.0471 0.1275 ( 4473 PWs) bands (ev): -19.3601 -19.3601 -18.8900 -18.8900 -18.7399 -18.7399 -18.6810 -18.6810 -6.2783 -6.2783 -6.0452 -6.0452 -5.8718 -5.8718 -5.0734 -5.0734 -4.5759 -4.5759 -4.2679 -4.2679 -4.0153 -4.0153 -3.9961 -3.9961 -3.7163 -3.7163 -3.2111 -3.2111 -2.7493 -2.7493 -2.5048 -2.5048 7.4616 7.4616 8.1641 8.1641 8.2482 8.2482 9.5161 9.5161 9.5212 9.5212 9.5571 9.5571 9.9882 9.9882 10.4852 10.4852 k =-0.1053 0.0419 0.1133 ( 4475 PWs) bands (ev): -19.3647 -19.3647 -18.8834 -18.8834 -18.7352 -18.7352 -18.6871 -18.6871 -6.2831 -6.2831 -6.0411 -6.0411 -5.8795 -5.8795 -5.0659 -5.0659 -4.5782 -4.5782 -4.2641 -4.2641 -4.0238 -4.0238 -4.0121 -4.0121 -3.7141 -3.7141 -3.2123 -3.2123 -2.7357 -2.7357 -2.4904 -2.4904 7.4145 7.4145 8.1831 8.1831 8.2675 8.2675 9.4759 9.4759 9.4919 9.4919 9.5743 9.5743 10.0843 10.0843 10.5494 10.5494 k =-0.0921 0.0367 0.0991 ( 4471 PWs) bands (ev): -19.3688 -19.3688 -18.8771 -18.8771 -18.7309 -18.7309 -18.6930 -18.6930 -6.2877 -6.2877 -6.0366 -6.0366 -5.8869 -5.8869 -5.0593 -5.0593 -4.5805 -4.5805 -4.2585 -4.2585 -4.0413 -4.0413 -4.0185 -4.0185 -3.7119 -3.7119 -3.2135 -3.2135 -2.7236 -2.7236 -2.4774 -2.4774 7.3724 7.3724 8.2040 8.2040 8.2847 8.2847 9.4032 9.4032 9.4695 9.4695 9.6211 9.6211 10.1827 10.1827 10.6099 10.6099 k =-0.0789 0.0314 0.0850 ( 4465 PWs) bands (ev): -19.3724 -19.3724 -18.8712 -18.8712 -18.7273 -18.7273 -18.6985 -18.6985 -6.2919 -6.2919 -6.0318 -6.0318 -5.8939 -5.8939 -5.0536 -5.0536 -4.5827 -4.5827 -4.2512 -4.2512 -4.0612 -4.0612 -4.0220 -4.0220 -3.7099 -3.7099 -3.2145 -3.2145 -2.7131 -2.7131 -2.4660 -2.4660 7.3356 7.3356 8.2261 8.2261 8.2999 8.2999 9.3343 9.3343 9.4500 9.4500 9.6663 9.6663 10.2826 10.2826 10.6651 10.6651 k =-0.0658 0.0262 0.0708 ( 4469 PWs) bands (ev): -19.3754 -19.3754 -18.8658 -18.8658 -18.7241 -18.7241 -18.7036 -18.7036 -6.2956 -6.2956 -6.0270 -6.0270 -5.9005 -5.9005 -5.0487 -5.0487 -4.5847 -4.5847 -4.2421 -4.2421 -4.0811 -4.0811 -4.0246 -4.0246 -3.7080 -3.7080 -3.2155 -3.2155 -2.7041 -2.7041 -2.4562 -2.4562 7.3042 7.3042 8.2481 8.2481 8.3134 8.3134 9.2711 9.2711 9.4333 9.4333 9.7080 9.7080 10.3834 10.3834 10.7127 10.7128 k =-0.0526 0.0210 0.0566 ( 4473 PWs) bands (ev): -19.3778 -19.3778 -18.8611 -18.8611 -18.7216 -18.7216 -18.7081 -18.7081 -6.2987 -6.2987 -6.0224 -6.0224 -5.9065 -5.9065 -5.0447 -5.0447 -4.5864 -4.5864 -4.2316 -4.2316 -4.1007 -4.1007 -4.0267 -4.0267 -3.7064 -3.7064 -3.2162 -3.2162 -2.6968 -2.6968 -2.4481 -2.4481 7.2783 7.2783 8.2685 8.2685 8.3256 8.3256 9.2153 9.2153 9.4196 9.4196 9.7448 9.7448 10.4839 10.4839 10.7516 10.7516 k =-0.0395 0.0157 0.0425 ( 4463 PWs) bands (ev): -19.3798 -19.3798 -18.8572 -18.8572 -18.7196 -18.7196 -18.7117 -18.7117 -6.3012 -6.3012 -6.0184 -6.0184 -5.9115 -5.9115 -5.0416 -5.0416 -4.5879 -4.5879 -4.2197 -4.2197 -4.1197 -4.1197 -4.0282 -4.0282 -3.7051 -3.7051 -3.2168 -3.2168 -2.6910 -2.6910 -2.4417 -2.4417 7.2581 7.2581 8.2856 8.2856 8.3367 8.3367 9.1688 9.1688 9.4089 9.4089 9.7752 9.7752 10.5820 10.5820 10.7824 10.7824 k =-0.0263 0.0105 0.0283 ( 4457 PWs) bands (ev): -19.3812 -19.3812 -18.8543 -18.8543 -18.7183 -18.7183 -18.7144 -18.7144 -6.3030 -6.3030 -6.0152 -6.0152 -5.9154 -5.9154 -5.0393 -5.0393 -4.5889 -4.5889 -4.2067 -4.2067 -4.1377 -4.1377 -4.0294 -4.0294 -3.7042 -3.7042 -3.2172 -3.2172 -2.6869 -2.6869 -2.4371 -2.4371 7.2436 7.2436 8.2981 8.2981 8.3463 8.3463 9.1335 9.1335 9.4012 9.4012 9.7981 9.7981 10.6710 10.6710 10.8110 10.8110 k =-0.0132 0.0052 0.0142 ( 4449 PWs) bands (ev): -19.3820 -19.3820 -18.8524 -18.8524 -18.7178 -18.7178 -18.7158 -18.7158 -6.3041 -6.3041 -6.0131 -6.0131 -5.9179 -5.9179 -5.0380 -5.0380 -4.5896 -4.5896 -4.1934 -4.1934 -4.1540 -4.1540 -4.0300 -4.0300 -3.7036 -3.7036 -3.2175 -3.2175 -2.6845 -2.6845 -2.4344 -2.4344 7.2348 7.2348 8.3053 8.3053 8.3532 8.3532 9.1113 9.1113 9.3966 9.3966 9.8122 9.8122 10.7322 10.7322 10.8525 10.8525 k = 0.0000 0.0000 0.0000 ( 4465 PWs) bands (ev): -19.3823 -19.3823 -18.8518 -18.8518 -18.7179 -18.7179 -18.7160 -18.7160 -6.3045 -6.3045 -6.0123 -6.0123 -5.9188 -5.9188 -5.0376 -5.0376 -4.5898 -4.5898 -4.1851 -4.1851 -4.1634 -4.1634 -4.0303 -4.0303 -3.7034 -3.7034 -3.2176 -3.2176 -2.6836 -2.6836 -2.4334 -2.4334 7.2319 7.2319 8.3076 8.3076 8.3558 8.3558 9.1037 9.1037 9.3951 9.3951 9.8170 9.8170 10.7506 10.7506 10.8837 10.8837 k = 0.0000 0.0000 0.0000 ( 4465 PWs) bands (ev): -19.3823 -19.3823 -18.8518 -18.8518 -18.7179 -18.7179 -18.7160 -18.7160 -6.3045 -6.3045 -6.0123 -6.0123 -5.9188 -5.9188 -5.0376 -5.0376 -4.5898 -4.5898 -4.1851 -4.1851 -4.1634 -4.1634 -4.0303 -4.0303 -3.7034 -3.7034 -3.2176 -3.2176 -2.6836 -2.6836 -2.4334 -2.4334 7.2319 7.2319 8.3076 8.3076 8.3558 8.3558 9.1037 9.1037 9.3951 9.3951 9.8170 9.8170 10.7506 10.7506 10.8837 10.8837 k = 0.0075 0.0188 0.0000 ( 4441 PWs) bands (ev): -19.3818 -19.3818 -18.8519 -18.8519 -18.7180 -18.7180 -18.7162 -18.7162 -6.3041 -6.3041 -6.0132 -6.0132 -5.9199 -5.9199 -5.0386 -5.0386 -4.5900 -4.5900 -4.1938 -4.1938 -4.1587 -4.1587 -4.0225 -4.0225 -3.7026 -3.7026 -3.2178 -3.2178 -2.6844 -2.6844 -2.4351 -2.4351 7.2350 7.2350 8.3099 8.3099 8.3579 8.3579 9.1056 9.1056 9.3966 9.3966 9.8155 9.8155 10.7327 10.7327 10.8501 10.8501 k = 0.0150 0.0376 0.0000 ( 4441 PWs) bands (ev): -19.3806 -19.3806 -18.8522 -18.8522 -18.7185 -18.7185 -18.7166 -18.7166 -6.3029 -6.3029 -6.0159 -6.0159 -5.9231 -5.9231 -5.0418 -5.0418 -4.5906 -4.5906 -4.2112 -4.2112 -4.1507 -4.1507 -4.0015 -4.0015 -3.7002 -3.7002 -3.2185 -3.2185 -2.6866 -2.6866 -2.4402 -2.4402 7.2442 7.2442 8.3167 8.3167 8.3643 8.3643 9.1111 9.1111 9.4009 9.4009 9.8108 9.8108 10.6922 10.6922 10.8008 10.8008 k = 0.0224 0.0564 0.0000 ( 4441 PWs) bands (ev): -19.3785 -19.3785 -18.8527 -18.8527 -18.7192 -18.7192 -18.7174 -18.7174 -6.3009 -6.3009 -6.0204 -6.0204 -5.9284 -5.9284 -5.0471 -5.0471 -4.5917 -4.5917 -4.2314 -4.2314 -4.1414 -4.1414 -3.9718 -3.9718 -3.6963 -3.6963 -3.2195 -3.2195 -2.6904 -2.6904 -2.4486 -2.4486 7.2596 7.2596 8.3279 8.3279 8.3749 8.3749 9.1204 9.1204 9.4082 9.4082 9.8024 9.8024 10.6444 10.6444 10.7522 10.7522 k = 0.0299 0.0752 0.0000 ( 4437 PWs) bands (ev): -19.3756 -19.3756 -18.8534 -18.8534 -18.7202 -18.7202 -18.7184 -18.7184 -6.2982 -6.2982 -6.0267 -6.0267 -5.9355 -5.9355 -5.0543 -5.0543 -4.5933 -4.5933 -4.2518 -4.2518 -4.1301 -4.1301 -3.9365 -3.9365 -3.6912 -3.6912 -3.2208 -3.2208 -2.6955 -2.6955 -2.4602 -2.4602 7.2809 7.2809 8.3437 8.3437 8.3896 8.3896 9.1333 9.1333 9.4183 9.4183 9.7893 9.7893 10.5959 10.5959 10.7059 10.7059 k = 0.0374 0.0940 0.0000 ( 4437 PWs) bands (ev): -19.3718 -19.3718 -18.8543 -18.8543 -18.7216 -18.7216 -18.7198 -18.7198 -6.2947 -6.2947 -6.0348 -6.0348 -5.9442 -5.9442 -5.0632 -5.0632 -4.5954 -4.5954 -4.2712 -4.2712 -4.1166 -4.1166 -3.8975 -3.8975 -3.6850 -3.6850 -3.2222 -3.2222 -2.7022 -2.7022 -2.4750 -2.4750 7.3081 7.3081 8.3638 8.3638 8.4086 8.4086 9.1500 9.1500 9.4312 9.4312 9.7705 9.7705 10.5492 10.5492 10.6623 10.6623 k = 0.0449 0.1128 0.0000 ( 4453 PWs) bands (ev): -19.3672 -19.3672 -18.8553 -18.8553 -18.7232 -18.7232 -18.7214 -18.7214 -6.2905 -6.2905 -6.0447 -6.0447 -5.9543 -5.9543 -5.0736 -5.0736 -4.5981 -4.5981 -4.2891 -4.2891 -4.1008 -4.1008 -3.8557 -3.8557 -3.6782 -3.6782 -3.2235 -3.2235 -2.7102 -2.7102 -2.4929 -2.4929 7.3409 7.3409 8.3882 8.3882 8.4315 8.4315 9.1703 9.1703 9.4469 9.4469 9.7448 9.7448 10.5056 10.5056 10.6217 10.6217 k = 0.0524 0.1316 0.0000 ( 4437 PWs) bands (ev): -19.3618 -19.3618 -18.8566 -18.8566 -18.7251 -18.7251 -18.7233 -18.7233 -6.2855 -6.2855 -6.0563 -6.0563 -5.9654 -5.9654 -5.0854 -5.0854 -4.6015 -4.6015 -4.3050 -4.3050 -4.0828 -4.0828 -3.8120 -3.8120 -3.6711 -3.6711 -3.2243 -3.2243 -2.7197 -2.7197 -2.5135 -2.5135 7.3792 7.3792 8.4169 8.4169 8.4585 8.4585 9.1943 9.1943 9.4652 9.4652 9.7116 9.7116 10.4656 10.4656 10.5842 10.5842 k = 0.0599 0.1504 0.0000 ( 4437 PWs) bands (ev): -19.3556 -19.3556 -18.8581 -18.8581 -18.7274 -18.7274 -18.7255 -18.7255 -6.2798 -6.2798 -6.0696 -6.0696 -5.9771 -5.9771 -5.0983 -5.0983 -4.6054 -4.6054 -4.3189 -4.3189 -4.0626 -4.0626 -3.7667 -3.7667 -3.6643 -3.6643 -3.2245 -3.2245 -2.7304 -2.7304 -2.5369 -2.5369 7.4226 7.4226 8.4497 8.4497 8.4894 8.4894 9.2220 9.2220 9.4860 9.4860 9.6706 9.6706 10.4292 10.4292 10.5499 10.5499 k = 0.0673 0.1692 0.0000 ( 4437 PWs) bands (ev): -19.3486 -19.3486 -18.8598 -18.8598 -18.7298 -18.7298 -18.7280 -18.7280 -6.2735 -6.2735 -6.0845 -6.0845 -5.9893 -5.9893 -5.1121 -5.1121 -4.6100 -4.6100 -4.3306 -4.3306 -4.0405 -4.0405 -3.7203 -3.7203 -3.6582 -3.6582 -3.2237 -3.2237 -2.7424 -2.7424 -2.5628 -2.5628 7.4710 7.4710 8.4864 8.4864 8.5240 8.5240 9.2533 9.2533 9.5093 9.5093 9.6224 9.6224 10.3960 10.3960 10.5187 10.5187 k = 0.0748 0.1880 0.0000 ( 4449 PWs) bands (ev): -19.3409 -19.3409 -18.8617 -18.8617 -18.7326 -18.7326 -18.7308 -18.7308 -6.2666 -6.2666 -6.1008 -6.1008 -6.0016 -6.0016 -5.1267 -5.1267 -4.6151 -4.6151 -4.3402 -4.3402 -4.0166 -4.0166 -3.6732 -3.6732 -3.6534 -3.6534 -3.2216 -3.2216 -2.7556 -2.7556 -2.5908 -2.5908 7.5239 7.5239 8.5269 8.5269 8.5622 8.5622 9.2881 9.2881 9.5348 9.5348 9.5681 9.5681 10.3658 10.3658 10.4907 10.4907 k = 0.0823 0.2068 0.0000 ( 4449 PWs) bands (ev): -19.3324 -19.3324 -18.8637 -18.8637 -18.7357 -18.7357 -18.7339 -18.7339 -6.2591 -6.2591 -6.1184 -6.1184 -6.0139 -6.0139 -5.1419 -5.1419 -4.6207 -4.6207 -4.3477 -4.3477 -3.9912 -3.9912 -3.6503 -3.6503 -3.6256 -3.6256 -3.2181 -3.2181 -2.7700 -2.7700 -2.6208 -2.6208 7.5811 7.5811 8.5711 8.5711 8.6038 8.6038 9.3265 9.3265 9.5090 9.5090 9.5626 9.5626 10.3385 10.3385 10.4658 10.4658 k = 0.0898 0.2256 0.0000 ( 4461 PWs) bands (ev): -19.3231 -19.3231 -18.8660 -18.8660 -18.7390 -18.7390 -18.7372 -18.7372 -6.2510 -6.2510 -6.1370 -6.1370 -6.0259 -6.0259 -5.1576 -5.1576 -4.6266 -4.6266 -4.3532 -4.3532 -3.9644 -3.9644 -3.6493 -3.6493 -3.5780 -3.5780 -3.2130 -3.2130 -2.7853 -2.7853 -2.6523 -2.6523 7.6423 7.6423 8.6185 8.6185 8.6485 8.6485 9.3683 9.3683 9.4468 9.4468 9.5923 9.5923 10.3140 10.3140 10.4439 10.4439 k = 0.0973 0.2444 0.0000 ( 4461 PWs) bands (ev): -19.3131 -19.3131 -18.8684 -18.8684 -18.7426 -18.7426 -18.7408 -18.7408 -6.2424 -6.2424 -6.1563 -6.1563 -6.0375 -6.0375 -5.1737 -5.1737 -4.6328 -4.6328 -4.3566 -4.3566 -3.9364 -3.9364 -3.6508 -3.6508 -3.5306 -3.5306 -3.2063 -3.2063 -2.8015 -2.8015 -2.6849 -2.6849 7.7069 7.7069 8.6691 8.6691 8.6963 8.6963 9.3828 9.3828 9.4133 9.4133 9.6239 9.6239 10.2925 10.2925 10.4251 10.4251 k = 0.1048 0.2632 0.0000 ( 4469 PWs) bands (ev): -19.3023 -19.3023 -18.8711 -18.8711 -18.7465 -18.7465 -18.7447 -18.7447 -6.2333 -6.2333 -6.1761 -6.1761 -6.0487 -6.0487 -5.1902 -5.1902 -4.6390 -4.6390 -4.3582 -4.3582 -3.9075 -3.9075 -3.6548 -3.6548 -3.4839 -3.4839 -3.1985 -3.1985 -2.8185 -2.8185 -2.7182 -2.7182 7.7747 7.7747 8.7223 8.7223 8.7466 8.7466 9.3183 9.3183 9.4614 9.4614 9.6572 9.6572 10.2742 10.2742 10.4093 10.4093 k = 0.1122 0.2820 0.0000 ( 4461 PWs) bands (ev): -19.2909 -19.2909 -18.8739 -18.8739 -18.7506 -18.7506 -18.7488 -18.7488 -6.2237 -6.2237 -6.1961 -6.1961 -6.0592 -6.0592 -5.2070 -5.2070 -4.6450 -4.6450 -4.3580 -4.3580 -3.8777 -3.8777 -3.6614 -3.6614 -3.4381 -3.4381 -3.1902 -3.1902 -2.8359 -2.8359 -2.7513 -2.7513 7.8453 7.8453 8.7777 8.7777 8.7992 8.7992 9.2544 9.2544 9.5123 9.5123 9.6921 9.6921 10.2592 10.2592 10.3963 10.3963 k = 0.1197 0.3008 0.0000 ( 4465 PWs) bands (ev): -19.2788 -19.2788 -18.8769 -18.8769 -18.7550 -18.7550 -18.7532 -18.7532 -6.2162 -6.2162 -6.2135 -6.2135 -6.0691 -6.0691 -5.2241 -5.2241 -4.6507 -4.6507 -4.3561 -4.3561 -3.8474 -3.8474 -3.6706 -3.6706 -3.3938 -3.3938 -3.1822 -3.1822 -2.8537 -2.8537 -2.7833 -2.7833 7.9182 7.9182 8.8349 8.8349 8.8536 8.8536 9.1920 9.1920 9.5655 9.5655 9.7284 9.7284 10.2477 10.2477 10.3861 10.3861 k = 0.1272 0.3196 0.0000 ( 4465 PWs) bands (ev): -19.2660 -19.2660 -18.8801 -18.8801 -18.7596 -18.7596 -18.7578 -18.7578 -6.2356 -6.2356 -6.2033 -6.2033 -6.0782 -6.0782 -5.2417 -5.2417 -4.6559 -4.6559 -4.3526 -4.3526 -3.8167 -3.8167 -3.6820 -3.6820 -3.3515 -3.3515 -3.1759 -3.1759 -2.8713 -2.8713 -2.8130 -2.8130 7.9931 7.9931 8.8932 8.8932 8.9094 8.9094 9.1318 9.1318 9.6204 9.6204 9.7663 9.7663 10.2399 10.2399 10.3787 10.3787 k = 0.1347 0.3383 0.0000 ( 4473 PWs) bands (ev): -19.2526 -19.2526 -18.8835 -18.8835 -18.7645 -18.7645 -18.7627 -18.7627 -6.2546 -6.2546 -6.1926 -6.1926 -6.0865 -6.0865 -5.2597 -5.2597 -4.6602 -4.6602 -4.3475 -4.3475 -3.7857 -3.7857 -3.6955 -3.6955 -3.3119 -3.3119 -3.1731 -3.1731 -2.8882 -2.8882 -2.8388 -2.8388 8.0696 8.0696 8.9516 8.9516 8.9659 8.9659 9.0748 9.0748 9.6762 9.6762 9.8059 9.8059 10.2361 10.2361 10.3741 10.3741 k = 0.1422 0.3571 0.0000 ( 4493 PWs) bands (ev): -19.2386 -19.2386 -18.8871 -18.8871 -18.7696 -18.7696 -18.7678 -18.7678 -6.2729 -6.2729 -6.1815 -6.1815 -6.0938 -6.0938 -5.2782 -5.2782 -4.6635 -4.6635 -4.3411 -4.3411 -3.7546 -3.7546 -3.7107 -3.7107 -3.2758 -3.2758 -3.1759 -3.1759 -2.9037 -2.9037 -2.8587 -2.8587 8.1471 8.1471 9.0018 9.0018 9.0225 9.0225 9.0287 9.0287 9.7316 9.7316 9.8477 9.8477 10.2366 10.2366 10.3723 10.3723 k = 0.1496 0.3759 0.0000 ( 4493 PWs) bands (ev): -19.2241 -19.2241 -18.8908 -18.8908 -18.7749 -18.7749 -18.7731 -18.7731 -6.2903 -6.2903 -6.1700 -6.1700 -6.1001 -6.1001 -5.2974 -5.2974 -4.6656 -4.6656 -4.3333 -4.3333 -3.7274 -3.7274 -3.7235 -3.7235 -3.2445 -3.2445 -3.1859 -3.1859 -2.9167 -2.9167 -2.8712 -2.8712 8.2255 8.2255 8.9662 8.9662 9.0708 9.0708 9.0784 9.0784 9.7848 9.7848 9.8927 9.8927 10.2417 10.2417 10.3737 10.3737 k = 0.1571 0.3947 0.0000 ( 4493 PWs) bands (ev): -19.2089 -19.2089 -18.8947 -18.8947 -18.7805 -18.7805 -18.7787 -18.7787 -6.3066 -6.3066 -6.1582 -6.1582 -6.1054 -6.1054 -5.3173 -5.3173 -4.6662 -4.6662 -4.3243 -4.3243 -3.7453 -3.7453 -3.6927 -3.6927 -3.2195 -3.2195 -3.2040 -3.2040 -2.9258 -2.9258 -2.8757 -2.8757 8.3042 8.3042 8.9199 8.9199 9.1253 9.1253 9.1327 9.1327 9.8338 9.8338 9.9416 9.9416 10.2520 10.2520 10.3785 10.3785 k = 0.1646 0.4135 0.0000 ( 4517 PWs) bands (ev): -19.1933 -19.1933 -18.8988 -18.8988 -18.7862 -18.7862 -18.7844 -18.7844 -6.3216 -6.3216 -6.1462 -6.1462 -6.1095 -6.1095 -5.3381 -5.3381 -4.6653 -4.6653 -4.3141 -4.3141 -3.7642 -3.7642 -3.6623 -3.6623 -3.2294 -3.2294 -3.2024 -3.2024 -2.9294 -2.9294 -2.8728 -2.8728 8.3828 8.3828 8.8771 8.8771 9.1770 9.1770 9.1844 9.1844 9.8775 9.8775 9.9945 9.9945 10.2681 10.2681 10.3872 10.3872 k = 0.1721 0.4323 0.0000 ( 4517 PWs) bands (ev): -19.1772 -19.1772 -18.9031 -18.9031 -18.7921 -18.7921 -18.7903 -18.7903 -6.3353 -6.3353 -6.1338 -6.1338 -6.1124 -6.1124 -5.3597 -5.3597 -4.6626 -4.6626 -4.3029 -4.3029 -3.7837 -3.7837 -3.6323 -3.6323 -3.2609 -3.2609 -3.1946 -3.1946 -2.9263 -2.9263 -2.8641 -2.8641 8.4610 8.4610 8.8385 8.8385 9.2244 9.2244 9.2326 9.2326 9.9157 9.9157 10.0503 10.0503 10.2904 10.2904 10.4003 10.4003 k = 0.1796 0.4511 0.0000 ( 4509 PWs) bands (ev): -19.1606 -19.1606 -18.9075 -18.9075 -18.7982 -18.7982 -18.7964 -18.7964 -6.3476 -6.3476 -6.1211 -6.1211 -6.1140 -6.1140 -5.3823 -5.3823 -4.6581 -4.6581 -4.2907 -4.2907 -3.8036 -3.8036 -3.6030 -3.6030 -3.2967 -3.2967 -3.1958 -3.1958 -2.9167 -2.9167 -2.8514 -2.8514 8.5382 8.5382 8.8044 8.8044 9.2665 9.2665 9.2762 9.2762 9.9489 9.9489 10.1071 10.1071 10.3194 10.3194 10.4186 10.4186 k = 0.1871 0.4699 0.0000 ( 4493 PWs) bands (ev): -19.1436 -19.1436 -18.9120 -18.9120 -18.8045 -18.8045 -18.8027 -18.8027 -6.3582 -6.3582 -6.1144 -6.1144 -6.1081 -6.1081 -5.4058 -5.4058 -4.6517 -4.6517 -4.2777 -4.2777 -3.8237 -3.8237 -3.5745 -3.5745 -3.3355 -3.3355 -3.2047 -3.2047 -2.9021 -2.9021 -2.8360 -2.8360 8.6139 8.6139 8.7750 8.7750 9.3025 9.3025 9.3143 9.3143 9.9776 9.9776 10.1628 10.1628 10.3554 10.3554 10.4427 10.4427 k = 0.1945 0.4887 0.0000 ( 4501 PWs) bands (ev): -19.1262 -19.1262 -18.9167 -18.9167 -18.8109 -18.8109 -18.8092 -18.8092 -6.3673 -6.3673 -6.1134 -6.1134 -6.0949 -6.0949 -5.4303 -5.4303 -4.6435 -4.6435 -4.2638 -4.2638 -3.8437 -3.8437 -3.5469 -3.5469 -3.3763 -3.3763 -3.2195 -3.2195 -2.8843 -2.8843 -2.8190 -2.8190 8.6875 8.6875 8.7503 8.7503 9.3320 9.3320 9.3462 9.3462 10.0019 10.0019 10.2157 10.2157 10.3984 10.3984 10.4731 10.4731 k = 0.2020 0.5075 0.0000 ( 4501 PWs) bands (ev): -19.1084 -19.1084 -18.9215 -18.9215 -18.8175 -18.8175 -18.8157 -18.8157 -6.3745 -6.3745 -6.1110 -6.1110 -6.0813 -6.0813 -5.4558 -5.4558 -4.6334 -4.6334 -4.2492 -4.2492 -3.8635 -3.8635 -3.5204 -3.5204 -3.4183 -3.4183 -3.2384 -3.2384 -2.8651 -2.8651 -2.8012 -2.8012 8.7305 8.7305 8.7584 8.7584 9.3547 9.3547 9.3715 9.3715 10.0219 10.0219 10.2642 10.2642 10.4481 10.4481 10.5070 10.5070 k = 0.2095 0.5263 0.0000 ( 4501 PWs) bands (ev): -19.0903 -19.0903 -18.9264 -18.9264 -18.8242 -18.8242 -18.8225 -18.8225 -6.3801 -6.3801 -6.1072 -6.1072 -6.0675 -6.0675 -5.4822 -5.4822 -4.6216 -4.6216 -4.2339 -4.2339 -3.8827 -3.8827 -3.4950 -3.4950 -3.4610 -3.4610 -3.2601 -3.2601 -2.8458 -2.8458 -2.7832 -2.7832 8.7155 8.7155 8.8258 8.8258 9.3711 9.3711 9.3902 9.3902 10.0374 10.0374 10.3072 10.3072 10.4455 10.4455 10.5047 10.5047 k = 0.2170 0.5451 0.0000 ( 4493 PWs) bands (ev): -19.0719 -19.0719 -18.9315 -18.9315 -18.8311 -18.8311 -18.8293 -18.8293 -6.3838 -6.3838 -6.1020 -6.1020 -6.0533 -6.0533 -5.5095 -5.5095 -4.6082 -4.6082 -4.2180 -4.2180 -3.9013 -3.9013 -3.5037 -3.5037 -3.4711 -3.4711 -3.2835 -3.2835 -2.8272 -2.8272 -2.7655 -2.7655 8.7056 8.7056 8.8886 8.8886 9.3815 9.3815 9.4026 9.4026 10.0484 10.0484 10.3434 10.3434 10.3884 10.3884 10.5662 10.5662 k = 0.2245 0.5639 0.0000 ( 4501 PWs) bands (ev): -19.0533 -19.0533 -18.9367 -18.9367 -18.8380 -18.8380 -18.8362 -18.8362 -6.3856 -6.3856 -6.0954 -6.0954 -6.0390 -6.0390 -5.5376 -5.5376 -4.5934 -4.5934 -4.2016 -4.2016 -3.9190 -3.9190 -3.5463 -3.5463 -3.4490 -3.4490 -3.3079 -3.3079 -2.8099 -2.8099 -2.7483 -2.7483 8.7005 8.7005 8.9458 8.9458 9.3868 9.3868 9.4092 9.4092 10.0547 10.0547 10.3348 10.3348 10.3722 10.3722 10.6326 10.6326 k = 0.2320 0.5827 0.0000 ( 4509 PWs) bands (ev): -19.0345 -19.0345 -18.9419 -18.9419 -18.8450 -18.8450 -18.8433 -18.8433 -6.3855 -6.3855 -6.0873 -6.0873 -6.0243 -6.0243 -5.5663 -5.5663 -4.5774 -4.5774 -4.1847 -4.1847 -3.9356 -3.9356 -3.5882 -3.5882 -3.4293 -3.4293 -3.3321 -3.3321 -2.7944 -2.7944 -2.7321 -2.7321 8.7005 8.7005 8.9959 8.9959 9.3876 9.3876 9.4107 9.4107 10.0564 10.0564 10.2851 10.2851 10.3935 10.3935 10.7029 10.7029 k = 0.2394 0.6015 0.0000 ( 4509 PWs) bands (ev): -19.0155 -19.0155 -18.9472 -18.9472 -18.8521 -18.8521 -18.8504 -18.8504 -6.3835 -6.3835 -6.0779 -6.0779 -6.0095 -6.0095 -5.5957 -5.5957 -4.5605 -4.5605 -4.1675 -4.1675 -3.9510 -3.9510 -3.6292 -3.6292 -3.4146 -3.4146 -3.3535 -3.3535 -2.7809 -2.7809 -2.7170 -2.7170 8.7053 8.7053 9.0374 9.0374 9.3848 9.3848 9.4081 9.4081 10.0536 10.0536 10.2392 10.2392 10.4074 10.4074 10.7764 10.7764 k = 0.2469 0.6203 0.0000 ( 4509 PWs) bands (ev): -18.9964 -18.9964 -18.9526 -18.9526 -18.8593 -18.8593 -18.8575 -18.8575 -6.3796 -6.3796 -6.0670 -6.0670 -5.9945 -5.9945 -5.6256 -5.6256 -4.5428 -4.5428 -4.1499 -4.1499 -3.9653 -3.9653 -3.6688 -3.6688 -3.4135 -3.4135 -3.3632 -3.3632 -2.7696 -2.7696 -2.7032 -2.7032 8.7149 8.7149 9.0686 9.0686 9.3791 9.3791 9.4022 9.4022 10.0463 10.0463 10.1973 10.1973 10.4146 10.4146 10.8525 10.8525 k = 0.2544 0.6391 0.0000 ( 4489 PWs) bands (ev): -18.9772 -18.9772 -18.9581 -18.9581 -18.8665 -18.8665 -18.8647 -18.8647 -6.3738 -6.3738 -6.0547 -6.0547 -5.9793 -5.9793 -5.6558 -5.6558 -4.5248 -4.5248 -4.1321 -4.1321 -3.9783 -3.9783 -3.7066 -3.7066 -3.4305 -3.4305 -3.3567 -3.3567 -2.7606 -2.7606 -2.6909 -2.6909 8.7293 8.7293 9.0880 9.0880 9.3712 9.3712 9.3937 9.3937 10.0349 10.0349 10.1593 10.1593 10.4159 10.4159 10.9305 10.9306 k = 0.2619 0.6579 0.0000 ( 4489 PWs) bands (ev): -18.9638 -18.9638 -18.9578 -18.9578 -18.8737 -18.8737 -18.8719 -18.8719 -6.3661 -6.3661 -6.0411 -6.0411 -5.9640 -5.9640 -5.6863 -5.6863 -4.5066 -4.5066 -4.1141 -4.1141 -3.9906 -3.9906 -3.7418 -3.7418 -3.4546 -3.4546 -3.3448 -3.3448 -2.7539 -2.7539 -2.6801 -2.6801 8.7482 8.7482 9.0942 9.0942 9.3616 9.3616 9.3834 9.3834 10.0197 10.0197 10.1253 10.1253 10.4118 10.4118 11.0073 11.0073 k = 0.2694 0.6767 0.0000 ( 4489 PWs) bands (ev): -18.9692 -18.9692 -18.9386 -18.9386 -18.8809 -18.8809 -18.8792 -18.8792 -6.3565 -6.3565 -6.0262 -6.0262 -5.9488 -5.9488 -5.7170 -5.7170 -4.4886 -4.4886 -4.0960 -4.0960 -4.0024 -4.0024 -3.7735 -3.7735 -3.4805 -3.4805 -3.3327 -3.3327 -2.7495 -2.7495 -2.6710 -2.6710 8.7716 8.7716 9.0863 9.0863 9.3508 9.3508 9.3719 9.3719 10.0008 10.0008 10.0953 10.0953 10.4019 10.4019 11.0842 11.0842 k = 0.2768 0.6955 0.0000 ( 4497 PWs) bands (ev): -18.9748 -18.9748 -18.9194 -18.9194 -18.8882 -18.8882 -18.8864 -18.8864 -6.3451 -6.3451 -6.0100 -6.0100 -5.9335 -5.9335 -5.7478 -5.7478 -4.4710 -4.4710 -4.0779 -4.0779 -4.0148 -4.0148 -3.8006 -3.8006 -3.5070 -3.5070 -3.3218 -3.3218 -2.7474 -2.7474 -2.6638 -2.6638 8.7991 8.7991 9.0643 9.0643 9.3392 9.3392 9.3596 9.3596 9.9788 9.9788 10.0695 10.0695 10.3847 10.3847 11.1609 11.1609 k = 0.2843 0.7143 0.0000 ( 4509 PWs) bands (ev): -18.9804 -18.9804 -18.9003 -18.9003 -18.8954 -18.8954 -18.8936 -18.8936 -6.3318 -6.3318 -5.9927 -5.9927 -5.9184 -5.9184 -5.7784 -5.7784 -4.4539 -4.4539 -4.0598 -4.0598 -4.0289 -4.0289 -3.8217 -3.8217 -3.5334 -3.5334 -3.3125 -3.3125 -2.7476 -2.7476 -2.6585 -2.6585 8.8305 8.8305 9.0287 9.0287 9.3271 9.3271 9.3469 9.3469 9.9539 9.9539 10.0478 10.0478 10.3579 10.3579 11.1956 11.1956 k = 0.2918 0.7331 0.0000 ( 4509 PWs) bands (ev): -18.9859 -18.9859 -18.9026 -18.9026 -18.9008 -18.9008 -18.8813 -18.8813 -6.3168 -6.3168 -5.9741 -5.9741 -5.9036 -5.9036 -5.8088 -5.8088 -4.4374 -4.4374 -4.0457 -4.0457 -4.0419 -4.0419 -3.8356 -3.8356 -3.5595 -3.5595 -3.3049 -3.3049 -2.7500 -2.7500 -2.6551 -2.6551 8.8654 8.8654 8.9810 8.9810 9.3148 9.3148 9.3342 9.3342 9.9263 9.9263 10.0303 10.0303 10.3189 10.3189 11.0801 11.0801 k = 0.2993 0.7519 0.0000 ( 4493 PWs) bands (ev): -18.9915 -18.9915 -18.9097 -18.9097 -18.9079 -18.9079 -18.8625 -18.8625 -6.3000 -6.3000 -5.9546 -5.9546 -5.8893 -5.8893 -5.8387 -5.8387 -4.4215 -4.4215 -4.0658 -4.0658 -4.0241 -4.0241 -3.8418 -3.8418 -3.5851 -3.5851 -3.2993 -3.2993 -2.7545 -2.7545 -2.6537 -2.6537 8.9033 8.9033 8.9227 8.9227 9.3023 9.3023 9.3216 9.3216 9.8964 9.8964 10.0170 10.0170 10.2661 10.2661 10.9643 10.9643 k = 0.3068 0.7707 0.0000 ( 4469 PWs) bands (ev): -18.9970 -18.9970 -18.9167 -18.9167 -18.9149 -18.9149 -18.8439 -18.8439 -6.2816 -6.2816 -5.9340 -5.9340 -5.8788 -5.8788 -5.8649 -5.8649 -4.4061 -4.4061 -4.0889 -4.0889 -4.0067 -4.0067 -3.8405 -3.8405 -3.6101 -3.6101 -3.2957 -3.2957 -2.7609 -2.7609 -2.6544 -2.6544 8.8558 8.8558 8.9437 8.9437 9.2899 9.2899 9.3094 9.3094 9.8643 9.8643 10.0079 10.0079 10.2000 10.2000 10.8530 10.8530 k = 0.3143 0.7895 0.0000 ( 4473 PWs) bands (ev): -19.0025 -19.0025 -18.9236 -18.9236 -18.9218 -18.9218 -18.8255 -18.8255 -6.2617 -6.2617 -5.9125 -5.9125 -5.9001 -5.9001 -5.8591 -5.8591 -4.3912 -4.3912 -4.1142 -4.1142 -3.9896 -3.9896 -3.8328 -3.8328 -3.6343 -3.6343 -3.2940 -3.2940 -2.7692 -2.7692 -2.6571 -2.6571 8.7824 8.7824 8.9858 8.9858 9.2775 9.2775 9.2977 9.2977 9.8297 9.8297 10.0031 10.0031 10.1227 10.1227 10.7475 10.7475 k = 0.3217 0.8083 0.0000 ( 4477 PWs) bands (ev): -19.0079 -19.0079 -18.9304 -18.9304 -18.9287 -18.9287 -18.8075 -18.8075 -6.2402 -6.2402 -5.9286 -5.9286 -5.8902 -5.8902 -5.8463 -5.8463 -4.3764 -4.3764 -4.1408 -4.1408 -3.9731 -3.9731 -3.8199 -3.8199 -3.6576 -3.6576 -3.2944 -3.2944 -2.7793 -2.7793 -2.6620 -2.6620 8.7040 8.7040 9.0285 9.0285 9.2653 9.2653 9.2863 9.2863 9.7923 9.7923 10.0025 10.0025 10.0380 10.0380 10.6488 10.6488 k = 0.3292 0.8271 0.0000 ( 4469 PWs) bands (ev): -19.0132 -19.0132 -18.9371 -18.9371 -18.9354 -18.9354 -18.7898 -18.7898 -6.2174 -6.2174 -5.9568 -5.9568 -5.8673 -5.8673 -5.8338 -5.8338 -4.3616 -4.3616 -4.1677 -4.1677 -3.9573 -3.9573 -3.8028 -3.8028 -3.6798 -3.6798 -3.2968 -3.2968 -2.7908 -2.7908 -2.6689 -2.6689 8.6224 8.6224 9.0705 9.0705 9.2533 9.2533 9.2754 9.2754 9.7502 9.7502 9.9507 9.9507 10.0062 10.0062 10.5583 10.5583 k = 0.3292 0.8271 0.0000 ( 4469 PWs) bands (ev): -19.0132 -19.0132 -18.9371 -18.9371 -18.9354 -18.9354 -18.7898 -18.7898 -6.2174 -6.2174 -5.9568 -5.9568 -5.8673 -5.8673 -5.8338 -5.8338 -4.3616 -4.3616 -4.1677 -4.1677 -3.9573 -3.9573 -3.8028 -3.8028 -3.6798 -3.6798 -3.2968 -3.2968 -2.7908 -2.7908 -2.6689 -2.6689 8.6224 8.6224 9.0705 9.0705 9.2533 9.2533 9.2754 9.2754 9.7502 9.7502 9.9507 9.9507 10.0062 10.0062 10.5583 10.5583 k = 0.3265 0.8202 0.0186 ( 4472 PWs) bands (ev): -19.0120 -19.0120 -18.9340 -18.9340 -18.9329 -18.9329 -18.7962 -18.7962 -6.2261 -6.2261 -5.9472 -5.9472 -5.8763 -5.8763 -5.8372 -5.8372 -4.3669 -4.3669 -4.1580 -4.1580 -3.9632 -3.9632 -3.8095 -3.8095 -3.6714 -3.6714 -3.2950 -3.2950 -2.7874 -2.7874 -2.6657 -2.6657 8.6543 8.6543 9.0555 9.0555 9.2546 9.2546 9.2785 9.2785 9.7663 9.7663 9.9835 9.9835 10.0032 10.0032 10.5874 10.5874 k = 0.3238 0.8133 0.0371 ( 4473 PWs) bands (ev): -19.0119 -19.0119 -18.9305 -18.9305 -18.9297 -18.9297 -18.8026 -18.8026 -6.2349 -6.2349 -5.9391 -5.9391 -5.8856 -5.8856 -5.8392 -5.8392 -4.3717 -4.3717 -4.1489 -4.1489 -3.9695 -3.9695 -3.8158 -3.8158 -3.6620 -3.6620 -3.2920 -3.2920 -2.7862 -2.7862 -2.6619 -2.6619 8.6894 8.6894 9.0412 9.0412 9.2503 9.2503 9.2795 9.2795 9.7807 9.7807 9.9962 9.9962 10.0208 10.0208 10.6117 10.6117 k = 0.3210 0.8065 0.0557 ( 4478 PWs) bands (ev): -19.0126 -19.0126 -18.9280 -18.9280 -18.9246 -18.9246 -18.8090 -18.8090 -6.2436 -6.2436 -5.9333 -5.9333 -5.8936 -5.8936 -5.8405 -5.8405 -4.3758 -4.3758 -4.1403 -4.1403 -3.9762 -3.9762 -3.8218 -3.8218 -3.6516 -3.6516 -3.2878 -3.2878 -2.7869 -2.7869 -2.6578 -2.6578 8.7276 8.7276 9.0284 9.0284 9.2412 9.2412 9.2782 9.2782 9.7920 9.7920 9.9917 9.9917 10.0573 10.0573 10.6313 10.6313 k = 0.3183 0.7996 0.0742 ( 4482 PWs) bands (ev): -19.0138 -19.0138 -18.9255 -18.9255 -18.9190 -18.9190 -18.8154 -18.8154 -6.2521 -6.2521 -5.9318 -5.9318 -5.8984 -5.8984 -5.8414 -5.8414 -4.3791 -4.3791 -4.1325 -4.1325 -3.9830 -3.9830 -3.8278 -3.8278 -3.6401 -3.6401 -3.2825 -3.2825 -2.7892 -2.7892 -2.6539 -2.6539 8.7683 8.7683 9.0179 9.0179 9.2280 9.2280 9.2745 9.2745 9.7985 9.7985 9.9906 9.9906 10.0932 10.0932 10.6467 10.6467 k = 0.3156 0.7928 0.0928 ( 4490 PWs) bands (ev): -19.0153 -19.0153 -18.9231 -18.9231 -18.9133 -18.9133 -18.8216 -18.8216 -6.2601 -6.2601 -5.9356 -5.9356 -5.8988 -5.8988 -5.8422 -5.8422 -4.3815 -4.3815 -4.1257 -4.1257 -3.9897 -3.9897 -3.8337 -3.8337 -3.6275 -3.6275 -3.2760 -3.2760 -2.7930 -2.7930 -2.6504 -2.6504 8.8102 8.8102 9.0112 9.0112 9.2115 9.2115 9.2679 9.2679 9.7992 9.7992 9.9960 9.9960 10.1260 10.1260 10.6587 10.6587 k = 0.3128 0.7859 0.1113 ( 4488 PWs) bands (ev): -19.0169 -19.0169 -18.9205 -18.9205 -18.9077 -18.9077 -18.8277 -18.8277 -6.2677 -6.2677 -5.9430 -5.9430 -5.8964 -5.8964 -5.8429 -5.8429 -4.3827 -4.3827 -4.1200 -4.1200 -3.9962 -3.9962 -3.8396 -3.8396 -3.6139 -3.6139 -3.2683 -3.2683 -2.7979 -2.7979 -2.6476 -2.6476 8.8508 8.8508 9.0108 9.0108 9.1927 9.1927 9.2582 9.2582 9.7950 9.7950 10.0091 10.0091 10.1532 10.1532 10.6686 10.6686 k = 0.3101 0.7790 0.1299 ( 4490 PWs) bands (ev): -19.0184 -19.0184 -18.9180 -18.9180 -18.9024 -18.9024 -18.8335 -18.8335 -6.2745 -6.2745 -5.9520 -5.9520 -5.8933 -5.8933 -5.8438 -5.8438 -4.3827 -4.3827 -4.1158 -4.1158 -4.0024 -4.0024 -3.8455 -3.8455 -3.5994 -3.5994 -3.2596 -3.2596 -2.8038 -2.8038 -2.6458 -2.6458 8.8845 8.8845 9.0220 9.0220 9.1725 9.1725 9.2448 9.2448 9.7888 9.7888 10.0287 10.0287 10.1725 10.1725 10.6780 10.6780 k = 0.3074 0.7722 0.1485 ( 4496 PWs) bands (ev): -19.0197 -19.0197 -18.9155 -18.9155 -18.8977 -18.8977 -18.8388 -18.8388 -6.2805 -6.2805 -5.9616 -5.9616 -5.8906 -5.8906 -5.8448 -5.8448 -4.3814 -4.3814 -4.1130 -4.1130 -4.0079 -4.0079 -3.8514 -3.8514 -3.5841 -3.5841 -3.2497 -3.2497 -2.8104 -2.8104 -2.6452 -2.6452 8.9054 8.9054 9.0499 9.0499 9.1519 9.1519 9.2276 9.2276 9.7835 9.7835 10.0530 10.0530 10.1824 10.1824 10.6887 10.6887 k = 0.3046 0.7653 0.1670 ( 4500 PWs) bands (ev): -19.0208 -19.0208 -18.9129 -18.9129 -18.8939 -18.8939 -18.8436 -18.8436 -6.2856 -6.2856 -5.9714 -5.9714 -5.8886 -5.8886 -5.8459 -5.8459 -4.3788 -4.3788 -4.1118 -4.1118 -4.0129 -4.0129 -3.8574 -3.8574 -3.5679 -3.5679 -3.2389 -3.2389 -2.8176 -2.8176 -2.6459 -2.6459 8.9143 8.9143 9.0907 9.0907 9.1337 9.1337 9.2070 9.2070 9.7819 9.7819 10.0795 10.0795 10.1830 10.1830 10.7019 10.7019 k = 0.3019 0.7584 0.1856 ( 4502 PWs) bands (ev): -19.0216 -19.0216 -18.9104 -18.9104 -18.8913 -18.8913 -18.8474 -18.8474 -6.2897 -6.2897 -5.9813 -5.9813 -5.8876 -5.8876 -5.8473 -5.8473 -4.3749 -4.3749 -4.1121 -4.1121 -4.0174 -4.0174 -3.8633 -3.8633 -3.5509 -3.5509 -3.2271 -3.2271 -2.8253 -2.8253 -2.6480 -2.6480 8.9165 8.9165 9.1030 9.1030 9.1476 9.1476 9.1892 9.1892 9.7853 9.7853 10.1035 10.1035 10.1783 10.1783 10.7183 10.7183 k = 0.2992 0.7516 0.2041 ( 4507 PWs) bands (ev): -19.0222 -19.0222 -18.9078 -18.9078 -18.8902 -18.8902 -18.8501 -18.8501 -6.2926 -6.2926 -5.9911 -5.9911 -5.8875 -5.8875 -5.8488 -5.8488 -4.3697 -4.3697 -4.1137 -4.1137 -4.0215 -4.0215 -3.8692 -3.8692 -3.5333 -3.5333 -3.2145 -3.2145 -2.8333 -2.8333 -2.6515 -2.6515 8.9158 8.9158 9.0860 9.0860 9.1429 9.1429 9.2226 9.2226 9.7945 9.7945 10.1123 10.1123 10.1819 10.1819 10.7378 10.7378 k = 0.2964 0.7447 0.2227 ( 4499 PWs) bands (ev): -19.0223 -19.0223 -18.9052 -18.9052 -18.8908 -18.8908 -18.8514 -18.8514 -6.2943 -6.2943 -6.0009 -6.0009 -5.8883 -5.8883 -5.8507 -5.8507 -4.3632 -4.3632 -4.1164 -4.1164 -4.0255 -4.0255 -3.8750 -3.8750 -3.5150 -3.5150 -3.2013 -3.2013 -2.8416 -2.8416 -2.6565 -2.6565 8.9136 8.9136 9.0686 9.0686 9.1135 9.1135 9.2824 9.2824 9.8098 9.8098 10.0980 10.0980 10.2045 10.2045 10.7599 10.7599 k = 0.2937 0.7379 0.2412 ( 4501 PWs) bands (ev): -19.0222 -19.0222 -18.9026 -18.9026 -18.8930 -18.8930 -18.8515 -18.8515 -6.2946 -6.2946 -6.0107 -6.0107 -5.8900 -5.8900 -5.8528 -5.8528 -4.3554 -4.3554 -4.1197 -4.1197 -4.0297 -4.0297 -3.8810 -3.8810 -3.4962 -3.4962 -3.1876 -3.1876 -2.8500 -2.8500 -2.6630 -2.6630 8.9103 8.9103 9.0531 9.0531 9.0809 9.0809 9.3438 9.3438 9.8308 9.8308 10.0738 10.0738 10.2358 10.2358 10.7841 10.7841 k = 0.2910 0.7310 0.2598 ( 4499 PWs) bands (ev): -19.0216 -19.0216 -18.9000 -18.9000 -18.8965 -18.8965 -18.8508 -18.8508 -6.2937 -6.2937 -6.0204 -6.0204 -5.8926 -5.8926 -5.8553 -5.8553 -4.3465 -4.3465 -4.1232 -4.1232 -4.0342 -4.0342 -3.8870 -3.8870 -3.4769 -3.4769 -3.1736 -3.1736 -2.8584 -2.8584 -2.6708 -2.6708 8.9056 8.9056 9.0379 9.0379 9.0499 9.0499 9.4015 9.4015 9.8573 9.8573 10.0506 10.0506 10.2697 10.2697 10.8097 10.8097 k = 0.2882 0.7241 0.2784 ( 4495 PWs) bands (ev): -19.0207 -19.0207 -18.9007 -18.9007 -18.8974 -18.8974 -18.8497 -18.8497 -6.2913 -6.2913 -6.0299 -6.0299 -5.8959 -5.8959 -5.8582 -5.8582 -4.3365 -4.3365 -4.1268 -4.1268 -4.0392 -4.0392 -3.8933 -3.8933 -3.4571 -3.4571 -3.1596 -3.1596 -2.8666 -2.8666 -2.6799 -2.6799 8.8993 8.8993 9.0093 9.0093 9.0362 9.0362 9.4505 9.4505 9.8886 9.8886 10.0359 10.0359 10.3041 10.3041 10.8365 10.8365 k = 0.2855 0.7173 0.2969 ( 4483 PWs) bands (ev): -19.0194 -19.0194 -18.9053 -18.9053 -18.8948 -18.8948 -18.8485 -18.8485 -6.2876 -6.2876 -6.0394 -6.0394 -5.8997 -5.8997 -5.8615 -5.8615 -4.3256 -4.3256 -4.1300 -4.1300 -4.0448 -4.0448 -3.8998 -3.8998 -3.4369 -3.4369 -3.1459 -3.1459 -2.8746 -2.8746 -2.6901 -2.6901 8.8912 8.8912 8.9763 8.9763 9.0318 9.0318 9.4849 9.4849 9.9244 9.9244 10.0372 10.0372 10.3381 10.3381 10.8641 10.8641 k = 0.2828 0.7104 0.3155 ( 4479 PWs) bands (ev): -19.0177 -19.0177 -18.9103 -18.9103 -18.8922 -18.8922 -18.8476 -18.8476 -6.2824 -6.2824 -6.0488 -6.0488 -5.9041 -5.9041 -5.8653 -5.8653 -4.3138 -4.3138 -4.1326 -4.1326 -4.0511 -4.0511 -3.9068 -3.9068 -3.4163 -3.4163 -3.1328 -3.1328 -2.8821 -2.8821 -2.7015 -2.7015 8.8814 8.8814 8.9445 8.9445 9.0318 9.0318 9.5003 9.5003 9.9641 9.9641 10.0599 10.0599 10.3711 10.3711 10.8924 10.8924 k = 0.2801 0.7035 0.3340 ( 4481 PWs) bands (ev): -19.0157 -19.0157 -18.9153 -18.9153 -18.8896 -18.8896 -18.8469 -18.8469 -6.2757 -6.2757 -6.0581 -6.0581 -5.9089 -5.9089 -5.8697 -5.8697 -4.3012 -4.3012 -4.1344 -4.1344 -4.0580 -4.0580 -3.9143 -3.9143 -3.3955 -3.3955 -3.1208 -3.1208 -2.8888 -2.8888 -2.7137 -2.7137 8.8699 8.8699 8.9149 8.9149 9.0354 9.0354 9.4967 9.4967 10.0073 10.0073 10.1047 10.1047 10.4024 10.4024 10.9211 10.9211 k = 0.2773 0.6967 0.3526 ( 4483 PWs) bands (ev): -19.0132 -19.0132 -18.9205 -18.9205 -18.8869 -18.8869 -18.8465 -18.8465 -6.2678 -6.2678 -6.0673 -6.0673 -5.9139 -5.9139 -5.8744 -5.8744 -4.2881 -4.2881 -4.1352 -4.1352 -4.0655 -4.0655 -3.9225 -3.9225 -3.3745 -3.3745 -3.1106 -3.1106 -2.8943 -2.8943 -2.7266 -2.7266 8.8566 8.8566 8.8889 8.8889 9.0420 9.0420 9.4783 9.4783 10.0535 10.0535 10.1677 10.1677 10.4318 10.4318 10.9499 10.9499 k = 0.2746 0.6898 0.3711 ( 4480 PWs) bands (ev): -19.0105 -19.0105 -18.9256 -18.9256 -18.8843 -18.8843 -18.8466 -18.8466 -6.2585 -6.2585 -6.0763 -6.0763 -5.9192 -5.9192 -5.8797 -5.8797 -4.2746 -4.2746 -4.1349 -4.1349 -4.0733 -4.0733 -3.9315 -3.9315 -3.3533 -3.3533 -3.1026 -3.1026 -2.8982 -2.8982 -2.7400 -2.7400 8.8408 8.8408 8.8679 8.8679 9.0509 9.0509 9.4507 9.4507 10.1023 10.1023 10.2437 10.2437 10.4589 10.4589 10.9784 10.9784 k = 0.2719 0.6829 0.3897 ( 4470 PWs) bands (ev): -19.0073 -19.0073 -18.9307 -18.9307 -18.8816 -18.8816 -18.8470 -18.8470 -6.2480 -6.2480 -6.0852 -6.0852 -5.9245 -5.9245 -5.8853 -5.8853 -4.2609 -4.2609 -4.1332 -4.1332 -4.0816 -4.0816 -3.9413 -3.9413 -3.3321 -3.3321 -3.0976 -3.0976 -2.9001 -2.9001 -2.7536 -2.7536 8.8229 8.8229 8.8519 8.8519 9.0618 9.0618 9.4182 9.4182 10.1529 10.1529 10.3279 10.3279 10.4837 10.4837 11.0061 11.0061 k = 0.2691 0.6761 0.4083 ( 4473 PWs) bands (ev): -19.0039 -19.0039 -18.9358 -18.9358 -18.8790 -18.8790 -18.8478 -18.8478 -6.2364 -6.2364 -6.0940 -6.0940 -5.9297 -5.9297 -5.8913 -5.8913 -4.2471 -4.2471 -4.1303 -4.1303 -4.0899 -4.0899 -3.9520 -3.9520 -3.3109 -3.3109 -3.0959 -3.0959 -2.8997 -2.8997 -2.7674 -2.7674 8.8053 8.8053 8.8389 8.8389 9.0741 9.0741 9.3840 9.3840 10.2049 10.2049 10.4153 10.4153 10.5072 10.5072 11.0320 11.0320 k = 0.2664 0.6692 0.4268 ( 4474 PWs) bands (ev): -19.0001 -19.0001 -18.9409 -18.9409 -18.8764 -18.8764 -18.8491 -18.8491 -6.2240 -6.2240 -6.1026 -6.1026 -5.9346 -5.9346 -5.8976 -5.8976 -4.2335 -4.2335 -4.1261 -4.1261 -4.0979 -4.0979 -3.9637 -3.9637 -3.2898 -3.2898 -3.0980 -3.0980 -2.8969 -2.8969 -2.7809 -2.7809 8.7897 8.7897 8.8274 8.8274 9.0878 9.0878 9.3501 9.3501 10.2573 10.2573 10.4912 10.4912 10.5415 10.5415 11.0550 11.0550 k = 0.2637 0.6624 0.4454 ( 4470 PWs) bands (ev): -18.9960 -18.9960 -18.9459 -18.9459 -18.8737 -18.8737 -18.8506 -18.8506 -6.2110 -6.2110 -6.1110 -6.1110 -5.9390 -5.9390 -5.9042 -5.9042 -4.2202 -4.2202 -4.1225 -4.1225 -4.1038 -4.1038 -3.9764 -3.9764 -3.2689 -3.2689 -3.1036 -3.1036 -2.8918 -2.8918 -2.7941 -2.7941 8.7772 8.7772 8.8168 8.8168 9.1024 9.1024 9.3177 9.3177 10.3092 10.3092 10.5215 10.5215 10.6183 10.6183 11.0729 11.0729 k = 0.2609 0.6555 0.4639 ( 4473 PWs) bands (ev): -18.9917 -18.9917 -18.9510 -18.9510 -18.8711 -18.8711 -18.8526 -18.8526 -6.1977 -6.1977 -6.1193 -6.1193 -5.9425 -5.9425 -5.9109 -5.9109 -4.2073 -4.2073 -4.1246 -4.1246 -4.1023 -4.1023 -3.9901 -3.9901 -3.2483 -3.2483 -3.1125 -3.1125 -2.8850 -2.8850 -2.8068 -2.8068 8.7680 8.7680 8.8066 8.8066 9.1180 9.1180 9.2876 9.2876 10.3595 10.3595 10.5328 10.5328 10.7089 10.7089 11.0813 11.0814 k = 0.2582 0.6486 0.4825 ( 4473 PWs) bands (ev): -18.9871 -18.9871 -18.9560 -18.9560 -18.8684 -18.8684 -18.8547 -18.8547 -6.1846 -6.1846 -6.1274 -6.1274 -5.9448 -5.9448 -5.9176 -5.9176 -4.1950 -4.1950 -4.1320 -4.1320 -4.0936 -4.0936 -4.0047 -4.0047 -3.2282 -3.2282 -3.1243 -3.1243 -2.8769 -2.8769 -2.8188 -2.8188 8.7625 8.7625 8.7968 8.7968 9.1346 9.1346 9.2600 9.2600 10.4066 10.4066 10.5370 10.5370 10.7991 10.7991 11.0724 11.0724 k = 0.2555 0.6418 0.5010 ( 4475 PWs) bands (ev): -18.9823 -18.9823 -18.9610 -18.9610 -18.8658 -18.8658 -18.8571 -18.8571 -6.1722 -6.1722 -6.1355 -6.1355 -5.9452 -5.9452 -5.9244 -5.9244 -4.1832 -4.1832 -4.1411 -4.1411 -4.0817 -4.0817 -4.0201 -4.0201 -3.2085 -3.2085 -3.1382 -3.1382 -2.8681 -2.8681 -2.8300 -2.8300 8.7608 8.7608 8.7874 8.7874 9.1520 9.1520 9.2348 9.2348 10.4486 10.4486 10.5349 10.5349 10.8856 10.8856 11.0500 11.0500 k = 0.2527 0.6349 0.5196 ( 4476 PWs) bands (ev): -18.9773 -18.9773 -18.9660 -18.9660 -18.8632 -18.8632 -18.8597 -18.8597 -6.1613 -6.1613 -6.1434 -6.1434 -5.9432 -5.9432 -5.9312 -5.9312 -4.1720 -4.1720 -4.1507 -4.1507 -4.0678 -4.0678 -4.0361 -4.0361 -3.1896 -3.1896 -3.1540 -3.1540 -2.8590 -2.8590 -2.8404 -2.8404 8.7630 8.7630 8.7783 8.7783 9.1706 9.1706 9.2119 9.2119 10.4834 10.4834 10.5259 10.5259 10.9650 10.9650 11.0292 11.0292 k = 0.2500 0.6280 0.5382 ( 4476 PWs) bands (ev): -18.9726 -18.9726 -18.9708 -18.9708 -18.8623 -18.8623 -18.8605 -18.8605 -6.1525 -6.1525 -6.1510 -6.1510 -5.9387 -5.9387 -5.9375 -5.9375 -4.1613 -4.1613 -4.1607 -4.1607 -4.0527 -4.0527 -4.0520 -4.0520 -3.1718 -3.1718 -3.1708 -3.1708 -2.8506 -2.8506 -2.8492 -2.8492 8.7692 8.7692 8.7697 8.7697 9.1900 9.1900 9.1911 9.1911 10.5087 10.5087 10.5097 10.5097 11.0167 11.0167 11.0169 11.0169 k = 0.2500 0.6280 0.5382 ( 4476 PWs) bands (ev): -18.9726 -18.9726 -18.9708 -18.9708 -18.8623 -18.8623 -18.8605 -18.8605 -6.1525 -6.1525 -6.1510 -6.1510 -5.9387 -5.9387 -5.9375 -5.9375 -4.1613 -4.1613 -4.1607 -4.1607 -4.0527 -4.0527 -4.0520 -4.0520 -3.1718 -3.1718 -3.1708 -3.1708 -2.8506 -2.8506 -2.8492 -2.8492 8.7692 8.7692 8.7697 8.7697 9.1900 9.1900 9.1911 9.1911 10.5087 10.5087 10.5097 10.5097 11.0167 11.0167 11.0169 11.0169 k = 0.2368 0.6333 0.5240 ( 4476 PWs) bands (ev): -18.9726 -18.9726 -18.9708 -18.9708 -18.8623 -18.8623 -18.8605 -18.8605 -6.1554 -6.1554 -6.1496 -6.1496 -5.9409 -5.9409 -5.9334 -5.9334 -4.1696 -4.1696 -4.1533 -4.1533 -4.0660 -4.0660 -4.0378 -4.0378 -3.1849 -3.1849 -3.1586 -3.1586 -2.8577 -2.8577 -2.8415 -2.8415 8.7695 8.7695 8.7719 8.7719 9.1910 9.1910 9.1925 9.1925 10.4982 10.4982 10.5091 10.5091 10.9920 10.9920 10.9946 10.9946 k = 0.2237 0.6385 0.5098 ( 4476 PWs) bands (ev): -18.9726 -18.9726 -18.9708 -18.9708 -18.8623 -18.8623 -18.8605 -18.8605 -6.1602 -6.1602 -6.1492 -6.1492 -5.9417 -5.9417 -5.9272 -5.9272 -4.1785 -4.1785 -4.1474 -4.1474 -4.0777 -4.0777 -4.0229 -4.0229 -3.1991 -3.1991 -3.1473 -3.1473 -2.8646 -2.8646 -2.8330 -2.8330 8.7720 8.7720 8.7767 8.7767 9.1942 9.1942 9.1966 9.1966 10.4769 10.4769 10.4978 10.4978 10.9496 10.9496 10.9569 10.9569 k = 0.2105 0.6438 0.4957 ( 4472 PWs) bands (ev): -18.9726 -18.9726 -18.9708 -18.9708 -18.8623 -18.8623 -18.8605 -18.8605 -6.1660 -6.1660 -6.1506 -6.1506 -5.9403 -5.9403 -5.9197 -5.9197 -4.1874 -4.1874 -4.1452 -4.1452 -4.0853 -4.0853 -4.0081 -4.0081 -3.2134 -3.2134 -3.1380 -3.1380 -2.8702 -2.8702 -2.8245 -2.8245 8.7770 8.7770 8.7839 8.7839 9.1997 9.1997 9.2031 9.2031 10.4465 10.4465 10.4758 10.4758 10.9045 10.9045 10.9155 10.9155 k = 0.1974 0.6490 0.4815 ( 4470 PWs) bands (ev): -18.9727 -18.9727 -18.9708 -18.9708 -18.8622 -18.8622 -18.8604 -18.8604 -6.1725 -6.1725 -6.1535 -6.1535 -5.9370 -5.9370 -5.9113 -5.9113 -4.1963 -4.1963 -4.1484 -4.1484 -4.0870 -4.0870 -3.9937 -3.9937 -3.2276 -3.2276 -3.1310 -3.1310 -2.8742 -2.8742 -2.8162 -2.8162 8.7844 8.7844 8.7935 8.7935 9.2076 9.2076 9.2118 9.2118 10.4086 10.4086 10.4444 10.4444 10.8585 10.8585 10.8719 10.8719 k = 0.1842 0.6542 0.4673 ( 4472 PWs) bands (ev): -18.9727 -18.9727 -18.9709 -18.9709 -18.8622 -18.8622 -18.8604 -18.8604 -6.1793 -6.1793 -6.1579 -6.1579 -5.9319 -5.9319 -5.9024 -5.9024 -4.2051 -4.2051 -4.1567 -4.1567 -4.0831 -4.0831 -3.9800 -3.9800 -3.2412 -3.2412 -3.1267 -3.1267 -2.8762 -2.8762 -2.8083 -2.8083 8.7942 8.7942 8.8052 8.8052 9.2178 9.2178 9.2227 9.2227 10.3648 10.3648 10.4052 10.4052 10.8121 10.8121 10.8268 10.8268 k = 0.1711 0.6595 0.4532 ( 4482 PWs) bands (ev): -18.9727 -18.9727 -18.9709 -18.9709 -18.8621 -18.8621 -18.8604 -18.8604 -6.1862 -6.1862 -6.1633 -6.1633 -5.9253 -5.9253 -5.8932 -5.8932 -4.2135 -4.2135 -4.1677 -4.1677 -4.0759 -4.0759 -3.9671 -3.9671 -3.2540 -3.2540 -3.1254 -3.1254 -2.8759 -2.8759 -2.8009 -2.8009 8.8063 8.8063 8.8190 8.8190 9.2302 9.2302 9.2356 9.2356 10.3165 10.3165 10.3599 10.3599 10.7652 10.7652 10.7805 10.7805 k = 0.1579 0.6647 0.4390 ( 4480 PWs) bands (ev): -18.9728 -18.9728 -18.9710 -18.9710 -18.8621 -18.8621 -18.8603 -18.8603 -6.1931 -6.1931 -6.1696 -6.1696 -5.9177 -5.9177 -5.8840 -5.8840 -4.2216 -4.2216 -4.1797 -4.1797 -4.0668 -4.0668 -3.9554 -3.9554 -3.2657 -3.2657 -3.1272 -3.1272 -2.8734 -2.8734 -2.7942 -2.7942 8.8205 8.8205 8.8348 8.8348 9.2446 9.2446 9.2503 9.2503 10.2650 10.2650 10.3102 10.3102 10.7180 10.7180 10.7335 10.7335 k = 0.1447 0.6699 0.4249 ( 4486 PWs) bands (ev): -18.9728 -18.9728 -18.9710 -18.9710 -18.8620 -18.8620 -18.8603 -18.8603 -6.1998 -6.1998 -6.1763 -6.1763 -5.9092 -5.9092 -5.8750 -5.8750 -4.2294 -4.2294 -4.1919 -4.1919 -4.0568 -4.0568 -3.9449 -3.9449 -3.2759 -3.2759 -3.1318 -3.1318 -2.8689 -2.8689 -2.7882 -2.7882 8.8368 8.8368 8.8523 8.8523 9.2609 9.2609 9.2666 9.2666 10.2115 10.2115 10.2576 10.2576 10.6709 10.6709 10.6862 10.6862 k = 0.1316 0.6752 0.4107 ( 4478 PWs) bands (ev): -18.9729 -18.9729 -18.9711 -18.9711 -18.8620 -18.8620 -18.8602 -18.8602 -6.2061 -6.2061 -6.1833 -6.1833 -5.9003 -5.9003 -5.8664 -5.8664 -4.2367 -4.2367 -4.2038 -4.2038 -4.0463 -4.0463 -3.9360 -3.9360 -3.2846 -3.2846 -3.1389 -3.1389 -2.8627 -2.8627 -2.7831 -2.7831 8.8548 8.8548 8.8713 8.8713 9.2788 9.2788 9.2842 9.2842 10.1572 10.1572 10.2034 10.2034 10.6243 10.6243 10.6392 10.6392 k = 0.1184 0.6804 0.3965 ( 4478 PWs) bands (ev): -18.9729 -18.9729 -18.9711 -18.9711 -18.8619 -18.8619 -18.8601 -18.8601 -6.2119 -6.2119 -6.1903 -6.1903 -5.8912 -5.8912 -5.8584 -5.8584 -4.2435 -4.2435 -4.2150 -4.2150 -4.0355 -4.0355 -3.9287 -3.9287 -3.2914 -3.2914 -3.1480 -3.1480 -2.8553 -2.8553 -2.7788 -2.7788 8.8743 8.8743 8.8914 8.8914 9.2980 9.2980 9.3029 9.3029 10.1030 10.1030 10.1487 10.1487 10.5786 10.5786 10.5931 10.5931 k = 0.1053 0.6857 0.3824 ( 4480 PWs) bands (ev): -18.9730 -18.9730 -18.9712 -18.9712 -18.8619 -18.8619 -18.8601 -18.8601 -6.2172 -6.2172 -6.1972 -6.1972 -5.8821 -5.8821 -5.8512 -5.8512 -4.2497 -4.2497 -4.2254 -4.2254 -4.0244 -4.0244 -3.9232 -3.9232 -3.2962 -3.2962 -3.1589 -3.1589 -2.8470 -2.8470 -2.7755 -2.7755 8.8950 8.8950 8.9123 8.9123 9.3183 9.3183 9.3223 9.3223 10.0500 10.0500 10.0947 10.0947 10.5346 10.5346 10.5485 10.5485 k = 0.0921 0.6909 0.3682 ( 4486 PWs) bands (ev): -18.9731 -18.9731 -18.9713 -18.9713 -18.8618 -18.8618 -18.8600 -18.8600 -6.2218 -6.2218 -6.2037 -6.2037 -5.8733 -5.8733 -5.8448 -5.8448 -4.2553 -4.2553 -4.2350 -4.2350 -4.0133 -4.0133 -3.9196 -3.9196 -3.2989 -3.2989 -3.1709 -3.1709 -2.8383 -2.8383 -2.7731 -2.7731 8.9164 8.9164 8.9334 8.9334 9.3390 9.3390 9.3419 9.3419 9.9992 9.9992 10.0421 10.0421 10.4930 10.4930 10.5061 10.5061 k = 0.0789 0.6961 0.3541 ( 4496 PWs) bands (ev): -18.9731 -18.9731 -18.9713 -18.9713 -18.8618 -18.8618 -18.8600 -18.8600 -6.2257 -6.2257 -6.2097 -6.2097 -5.8649 -5.8649 -5.8394 -5.8394 -4.2602 -4.2602 -4.2435 -4.2435 -4.0022 -4.0022 -3.9179 -3.9179 -3.2994 -3.2994 -3.1838 -3.1838 -2.8294 -2.8294 -2.7718 -2.7718 8.9380 8.9380 8.9541 8.9541 9.3597 9.3597 9.3613 9.3613 9.9515 9.9515 9.9921 9.9921 10.4546 10.4546 10.4667 10.4667 k = 0.0658 0.7014 0.3399 ( 4494 PWs) bands (ev): -18.9732 -18.9732 -18.9714 -18.9714 -18.8617 -18.8617 -18.8599 -18.8599 -6.2288 -6.2288 -6.2152 -6.2152 -5.8571 -5.8571 -5.8351 -5.8351 -4.2643 -4.2643 -4.2510 -4.2510 -3.9913 -3.9913 -3.9180 -3.9180 -3.2977 -3.2977 -3.1971 -3.1971 -2.8206 -2.8206 -2.7714 -2.7714 8.9590 8.9590 8.9738 8.9738 9.3795 9.3795 9.3802 9.3802 9.9082 9.9082 9.9456 9.9456 10.4202 10.4202 10.4311 10.4311 k = 0.0526 0.7066 0.3257 ( 4492 PWs) bands (ev): -18.9732 -18.9732 -18.9714 -18.9714 -18.8617 -18.8617 -18.8599 -18.8599 -6.2312 -6.2312 -6.2201 -6.2201 -5.8501 -5.8501 -5.8320 -5.8320 -4.2676 -4.2676 -4.2573 -4.2573 -3.9806 -3.9806 -3.9199 -3.9199 -3.2940 -3.2940 -3.2106 -3.2106 -2.8122 -2.8122 -2.7721 -2.7721 8.9786 8.9786 8.9914 8.9914 9.3970 9.3970 9.3984 9.3984 9.8707 9.8707 9.9036 9.9036 10.3907 10.3907 10.4001 10.4001 k = 0.0395 0.7118 0.3116 ( 4490 PWs) bands (ev): -18.9732 -18.9732 -18.9714 -18.9714 -18.8616 -18.8616 -18.8599 -18.8599 -6.2327 -6.2327 -6.2243 -6.2243 -5.8439 -5.8439 -5.8300 -5.8300 -4.2700 -4.2700 -4.2625 -4.2625 -3.9702 -3.9702 -3.9235 -3.9235 -3.2882 -3.2882 -3.2241 -3.2241 -2.8044 -2.8044 -2.7739 -2.7739 8.9958 8.9958 9.0061 9.0061 9.4122 9.4122 9.4143 9.4143 9.8404 9.8404 9.8673 9.8673 10.3670 10.3670 10.3745 10.3745 k = 0.0263 0.7171 0.2974 ( 4486 PWs) bands (ev): -18.9732 -18.9732 -18.9714 -18.9714 -18.8616 -18.8616 -18.8598 -18.8598 -6.2334 -6.2334 -6.2277 -6.2277 -5.8387 -5.8387 -5.8293 -5.8293 -4.2714 -4.2714 -4.2665 -4.2665 -3.9603 -3.9603 -3.9286 -3.9286 -3.2807 -3.2807 -3.2372 -3.2372 -2.7971 -2.7971 -2.7766 -2.7766 9.0097 9.0097 9.0169 9.0169 9.4243 9.4243 9.4266 9.4266 9.8189 9.8189 9.8382 9.8382 10.3499 10.3499 10.3550 10.3550 k = 0.0132 0.7223 0.2832 ( 4478 PWs) bands (ev): -18.9732 -18.9732 -18.9715 -18.9715 -18.8616 -18.8616 -18.8598 -18.8598 -6.2333 -6.2333 -6.2303 -6.2303 -5.8346 -5.8346 -5.8298 -5.8298 -4.2718 -4.2718 -4.2694 -4.2694 -3.9510 -3.9510 -3.9350 -3.9350 -3.2716 -3.2716 -3.2496 -3.2496 -2.7907 -2.7907 -2.7803 -2.7803 9.0192 9.0192 9.0230 9.0230 9.4325 9.4325 9.4340 9.4340 9.8075 9.8075 9.8177 9.8177 10.3398 10.3398 10.3425 10.3425 k = 0.0000 0.7276 0.2691 ( 4468 PWs) bands (ev): -18.9733 -18.9733 -18.9715 -18.9715 -18.8616 -18.8616 -18.8598 -18.8598 -6.2327 -6.2327 -6.2317 -6.2317 -5.8319 -5.8319 -5.8313 -5.8313 -4.2712 -4.2712 -4.2712 -4.2712 -3.9427 -3.9427 -3.9424 -3.9424 -3.2612 -3.2612 -3.2611 -3.2611 -2.7853 -2.7853 -2.7848 -2.7848 9.0236 9.0236 9.0239 9.0239 9.4357 9.4357 9.4363 9.4363 9.8068 9.8068 9.8075 9.8075 10.3372 10.3372 10.3376 10.3376 k = 0.0000 0.7276 0.2691 ( 4468 PWs) bands (ev): -18.9733 -18.9733 -18.9715 -18.9715 -18.8616 -18.8616 -18.8598 -18.8598 -6.2327 -6.2327 -6.2317 -6.2317 -5.8319 -5.8319 -5.8313 -5.8313 -4.2712 -4.2712 -4.2712 -4.2712 -3.9427 -3.9427 -3.9424 -3.9424 -3.2612 -3.2612 -3.2611 -3.2611 -2.7853 -2.7853 -2.7848 -2.7848 9.0236 9.0236 9.0239 9.0239 9.4357 9.4357 9.4363 9.4363 9.8068 9.8068 9.8075 9.8075 10.3372 10.3372 10.3376 10.3376 k =-0.0150 0.7230 0.2813 ( 4475 PWs) bands (ev): -18.9775 -18.9775 -18.9669 -18.9669 -18.8619 -18.8619 -18.8599 -18.8599 -6.2457 -6.2457 -6.2176 -6.2176 -5.8335 -5.8335 -5.8301 -5.8301 -4.2859 -4.2859 -4.2560 -4.2560 -3.9491 -3.9491 -3.9361 -3.9361 -3.2755 -3.2755 -3.2490 -3.2490 -2.7959 -2.7959 -2.7730 -2.7730 9.0239 9.0239 9.0251 9.0251 9.3887 9.3887 9.4819 9.4819 9.8062 9.8062 9.8095 9.8095 10.2593 10.2593 10.4202 10.4202 k =-0.0299 0.7185 0.2935 ( 4483 PWs) bands (ev): -18.9822 -18.9822 -18.9612 -18.9612 -18.8627 -18.8627 -18.8601 -18.8601 -6.2581 -6.2581 -6.2020 -6.2020 -5.8355 -5.8355 -5.8289 -5.8289 -4.3000 -4.3000 -4.2406 -4.2406 -3.9557 -3.9557 -3.9297 -3.9297 -3.2920 -3.2920 -3.2392 -3.2392 -2.8053 -2.8053 -2.7600 -2.7600 9.0254 9.0254 9.0277 9.0277 9.3423 9.3423 9.5235 9.5235 9.8065 9.8065 9.8135 9.8135 10.1888 10.1888 10.5058 10.5058 k =-0.0449 0.7140 0.3058 ( 4481 PWs) bands (ev): -18.9866 -18.9866 -18.9553 -18.9553 -18.8639 -18.8639 -18.8606 -18.8606 -6.2691 -6.2691 -6.1856 -6.1856 -5.8376 -5.8376 -5.8281 -5.8281 -4.3135 -4.3135 -4.2249 -4.2249 -3.9625 -3.9625 -3.9235 -3.9235 -3.3103 -3.3103 -3.2318 -3.2318 -2.8128 -2.8128 -2.7466 -2.7466 9.0281 9.0281 9.0317 9.0317 9.2984 9.2984 9.5559 9.5559 9.8078 9.8078 9.8194 9.8194 10.1302 10.1302 10.5922 10.5922 k =-0.0599 0.7095 0.3180 ( 4481 PWs) bands (ev): -18.9906 -18.9906 -18.9492 -18.9492 -18.8653 -18.8653 -18.8615 -18.8615 -6.2788 -6.2788 -6.1684 -6.1684 -5.8399 -5.8399 -5.8278 -5.8278 -4.3263 -4.3263 -4.2091 -4.2091 -3.9693 -3.9693 -3.9174 -3.9174 -3.3302 -3.3302 -3.2268 -3.2268 -2.8185 -2.8185 -2.7330 -2.7330 9.0313 9.0313 9.0369 9.0369 9.2583 9.2583 9.5731 9.5731 9.8098 9.8098 9.8277 9.8277 10.0889 10.0889 10.6781 10.6781 k =-0.0748 0.7049 0.3302 ( 4487 PWs) bands (ev): -18.9943 -18.9943 -18.9429 -18.9429 -18.8669 -18.8669 -18.8628 -18.8628 -6.2870 -6.2870 -6.1506 -6.1506 -5.8422 -5.8422 -5.8281 -5.8281 -4.3383 -4.3383 -4.1934 -4.1934 -3.9762 -3.9762 -3.9114 -3.9114 -3.3515 -3.3515 -3.2241 -3.2241 -2.8222 -2.8222 -2.7196 -2.7196 9.0338 9.0338 9.0434 9.0434 9.2236 9.2236 9.5696 9.5696 9.8125 9.8125 9.8377 9.8377 10.0702 10.0702 10.7613 10.7613 k =-0.0898 0.7004 0.3425 ( 4494 PWs) bands (ev): -18.9975 -18.9975 -18.9365 -18.9365 -18.8686 -18.8686 -18.8645 -18.8645 -6.2938 -6.2938 -6.1323 -6.1323 -5.8445 -5.8445 -5.8289 -5.8289 -4.3493 -4.3493 -4.1777 -4.1777 -3.9832 -3.9832 -3.9055 -3.9055 -3.3739 -3.3739 -3.2234 -3.2234 -2.8240 -2.8240 -2.7067 -2.7067 9.0342 9.0342 9.0513 9.0513 9.1959 9.1959 9.5447 9.5447 9.8161 9.8161 9.8485 9.8485 10.0747 10.0747 10.8394 10.8394 k =-0.1048 0.6959 0.3547 ( 4496 PWs) bands (ev): -19.0004 -19.0004 -18.9302 -18.9302 -18.8703 -18.8703 -18.8666 -18.8666 -6.2991 -6.2991 -6.1137 -6.1137 -5.8467 -5.8467 -5.8303 -5.8303 -4.3593 -4.3593 -4.1624 -4.1624 -3.9902 -3.9902 -3.8996 -3.8996 -3.3972 -3.3972 -3.2246 -3.2246 -2.8240 -2.8240 -2.6946 -2.6946 9.0308 9.0308 9.0602 9.0602 9.1769 9.1769 9.5031 9.5031 9.8209 9.8209 9.8592 9.8592 10.0970 10.0970 10.9085 10.9085 k =-0.1197 0.6914 0.3669 ( 4494 PWs) bands (ev): -19.0029 -19.0029 -18.9241 -18.9241 -18.8718 -18.8718 -18.8691 -18.8691 -6.3028 -6.3028 -6.0949 -6.0949 -5.8487 -5.8487 -5.8325 -5.8325 -4.3682 -4.3682 -4.1476 -4.1476 -3.9971 -3.9971 -3.8938 -3.8938 -3.4209 -3.4209 -3.2274 -3.2274 -2.8225 -2.8225 -2.6836 -2.6836 9.0230 9.0230 9.0697 9.0697 9.1673 9.1673 9.4515 9.4515 9.8266 9.8266 9.8699 9.8699 10.1294 10.1294 10.9627 10.9627 k =-0.1347 0.6868 0.3792 ( 4495 PWs) bands (ev): -19.0050 -19.0050 -18.9186 -18.9186 -18.8733 -18.8733 -18.8715 -18.8715 -6.3050 -6.3050 -6.0761 -6.0761 -5.8506 -5.8506 -5.8354 -5.8354 -4.3759 -4.3759 -4.1335 -4.1335 -4.0039 -4.0039 -3.8881 -3.8881 -3.4448 -3.4448 -3.2315 -3.2315 -2.8197 -2.8197 -2.6738 -2.6738 9.0118 9.0118 9.0790 9.0790 9.1658 9.1658 9.3958 9.3958 9.8328 9.8328 9.8809 9.8809 10.1648 10.1648 10.9943 10.9943 k =-0.1496 0.6823 0.3914 ( 4496 PWs) bands (ev): -19.0067 -19.0067 -18.9141 -18.9141 -18.8762 -18.8762 -18.8718 -18.8718 -6.3057 -6.3057 -6.0575 -6.0575 -5.8522 -5.8522 -5.8390 -5.8390 -4.3823 -4.3823 -4.1204 -4.1204 -4.0102 -4.0102 -3.8824 -3.8824 -3.4687 -3.4687 -3.2365 -3.2365 -2.8160 -2.8160 -2.6654 -2.6654 8.9997 8.9997 9.0862 9.0862 9.1695 9.1695 9.3410 9.3410 9.8389 9.8389 9.8923 9.8923 10.1979 10.1979 10.9984 10.9984 k =-0.1646 0.6778 0.4036 ( 4494 PWs) bands (ev): -19.0081 -19.0081 -18.9111 -18.9111 -18.8800 -18.8800 -18.8702 -18.8702 -6.3048 -6.3048 -6.0390 -6.0390 -5.8537 -5.8537 -5.8434 -5.8434 -4.3875 -4.3875 -4.1090 -4.1090 -4.0157 -4.0157 -3.8766 -3.8766 -3.4922 -3.4922 -3.2423 -3.2423 -2.8115 -2.8115 -2.6585 -2.6585 8.9885 8.9885 9.0880 9.0880 9.1757 9.1757 9.2931 9.2931 9.8444 9.8444 9.9041 9.9041 10.2249 10.2249 10.9788 10.9788 k =-0.1796 0.6733 0.4158 ( 4496 PWs) bands (ev): -19.0091 -19.0091 -18.9098 -18.9098 -18.8843 -18.8843 -18.8667 -18.8667 -6.3024 -6.3024 -6.0210 -6.0210 -5.8552 -5.8552 -5.8481 -5.8481 -4.3913 -4.3913 -4.0999 -4.0999 -4.0196 -4.0196 -3.8709 -3.8709 -3.5151 -3.5151 -3.2485 -3.2485 -2.8066 -2.8066 -2.6532 -2.6532 8.9796 8.9796 9.0775 9.0775 9.1822 9.1822 9.2602 9.2602 9.8488 9.8488 9.9160 9.9160 10.2427 10.2427 10.9445 10.9445 k =-0.1945 0.6688 0.4281 ( 4498 PWs) bands (ev): -19.0098 -19.0098 -18.9101 -18.9101 -18.8890 -18.8890 -18.8615 -18.8615 -6.2986 -6.2986 -6.0035 -6.0035 -5.8582 -5.8582 -5.8518 -5.8518 -4.3937 -4.3937 -4.0942 -4.0942 -4.0211 -4.0211 -3.8651 -3.8651 -3.5371 -3.5371 -3.2550 -3.2550 -2.8016 -2.8016 -2.6495 -2.6495 8.9737 8.9737 9.0493 9.0493 9.1891 9.1891 9.2473 9.2473 9.8514 9.8514 9.9280 9.9280 10.2495 10.2495 10.9033 10.9033 k =-0.2095 0.6642 0.4403 ( 4494 PWs) bands (ev): -19.0101 -19.0101 -18.9116 -18.9116 -18.8941 -18.8941 -18.8551 -18.8551 -6.2934 -6.2934 -5.9866 -5.9866 -5.8641 -5.8641 -5.8530 -5.8530 -4.3947 -4.3947 -4.0928 -4.0928 -4.0192 -4.0192 -3.8592 -3.8592 -3.5581 -3.5581 -3.2614 -3.2614 -2.7966 -2.7966 -2.6474 -2.6474 8.9704 8.9704 9.0075 9.0075 9.1980 9.1980 9.2484 9.2484 9.8516 9.8516 9.9399 9.9399 10.2445 10.2445 10.8601 10.8601 k =-0.2245 0.6597 0.4525 ( 4496 PWs) bands (ev): -19.0103 -19.0103 -18.9139 -18.9139 -18.8995 -18.8995 -18.8479 -18.8479 -6.2870 -6.2870 -5.9704 -5.9704 -5.8717 -5.8717 -5.8529 -5.8529 -4.3944 -4.3944 -4.0956 -4.0956 -4.0143 -4.0143 -3.8532 -3.8532 -3.5780 -3.5780 -3.2677 -3.2677 -2.7920 -2.7920 -2.6468 -2.6468 8.9526 8.9526 8.9771 8.9771 9.2088 9.2088 9.2555 9.2555 9.8490 9.8490 9.9514 9.9514 10.2283 10.2283 10.8178 10.8178 k =-0.2394 0.6552 0.4648 ( 4496 PWs) bands (ev): -19.0102 -19.0102 -18.9167 -18.9167 -18.9051 -18.9051 -18.8402 -18.8402 -6.2793 -6.2793 -5.9551 -5.9551 -5.8802 -5.8802 -5.8520 -5.8520 -4.3928 -4.3928 -4.1016 -4.1016 -4.0073 -4.0073 -3.8470 -3.8470 -3.5965 -3.5965 -3.2737 -3.2737 -2.7880 -2.7880 -2.6477 -2.6477 8.9032 8.9032 8.9798 8.9798 9.2203 9.2203 9.2640 9.2640 9.8432 9.8432 9.9624 9.9624 10.2022 10.2022 10.7778 10.7778 k =-0.2544 0.6507 0.4770 ( 4496 PWs) bands (ev): -19.0100 -19.0100 -18.9198 -18.9198 -18.9109 -18.9109 -18.8321 -18.8321 -6.2706 -6.2706 -5.9410 -5.9410 -5.8891 -5.8891 -5.8505 -5.8505 -4.3900 -4.3900 -4.1099 -4.1099 -3.9991 -3.9991 -3.8406 -3.8406 -3.6136 -3.6136 -3.2792 -3.2792 -2.7849 -2.7849 -2.6497 -2.6497 8.8520 8.8520 8.9880 8.9880 9.2315 9.2315 9.2719 9.2719 9.8342 9.8342 9.9727 9.9727 10.1681 10.1681 10.7404 10.7404 k =-0.2694 0.6461 0.4892 ( 4486 PWs) bands (ev): -19.0098 -19.0098 -18.9231 -18.9231 -18.9167 -18.9167 -18.8237 -18.8237 -6.2611 -6.2611 -5.9294 -5.9294 -5.8970 -5.8970 -5.8485 -5.8485 -4.3860 -4.3860 -4.1198 -4.1198 -3.9904 -3.9904 -3.8340 -3.8340 -3.6293 -3.6293 -3.2841 -3.2841 -2.7828 -2.7828 -2.6528 -2.6528 8.8018 8.8018 8.9997 8.9997 9.2415 9.2415 9.2780 9.2780 9.8222 9.8222 9.9820 9.9820 10.1281 10.1281 10.7050 10.7050 k =-0.2843 0.6416 0.5015 ( 4478 PWs) bands (ev): -19.0098 -19.0098 -18.9265 -18.9265 -18.9223 -18.9223 -18.8153 -18.8153 -6.2508 -6.2508 -5.9255 -5.9255 -5.8985 -5.8985 -5.8459 -5.8459 -4.3810 -4.3810 -4.1307 -4.1307 -3.9817 -3.9817 -3.8270 -3.8270 -3.6438 -3.6438 -3.2884 -3.2884 -2.7821 -2.7821 -2.6565 -2.6565 8.7535 8.7535 9.0144 9.0144 9.2496 9.2496 9.2816 9.2816 9.8074 9.8074 9.9902 9.9902 10.0844 10.0844 10.6704 10.6704 k =-0.2993 0.6371 0.5137 ( 4474 PWs) bands (ev): -19.0102 -19.0102 -18.9300 -18.9300 -18.9274 -18.9274 -18.8068 -18.8068 -6.2399 -6.2399 -5.9325 -5.9325 -5.8903 -5.8903 -5.8427 -5.8427 -4.3751 -4.3751 -4.1425 -4.1425 -3.9732 -3.9732 -3.8195 -3.8195 -3.6569 -3.6569 -3.2920 -3.2920 -2.7831 -2.7831 -2.6607 -2.6607 8.7073 8.7073 9.0317 9.0317 9.2548 9.2548 9.2821 9.2821 9.7903 9.7903 9.9969 9.9969 10.0391 10.0391 10.6353 10.6353 k =-0.3143 0.6326 0.5259 ( 4469 PWs) bands (ev): -19.0112 -19.0112 -18.9337 -18.9337 -18.9318 -18.9318 -18.7983 -18.7983 -6.2287 -6.2287 -5.9439 -5.9439 -5.8789 -5.8789 -5.8388 -5.8388 -4.3686 -4.3686 -4.1549 -4.1549 -3.9650 -3.9650 -3.8115 -3.8115 -3.6689 -3.6689 -3.2948 -3.2948 -2.7859 -2.7859 -2.6649 -2.6649 8.6636 8.6636 9.0507 9.0507 9.2564 9.2564 9.2798 9.2798 9.7712 9.7712 9.9934 9.9934 10.0029 10.0029 10.5982 10.5982 k =-0.3292 0.6280 0.5382 ( 4469 PWs) bands (ev): -19.0132 -19.0132 -18.9371 -18.9371 -18.9354 -18.9354 -18.7898 -18.7898 -6.2174 -6.2174 -5.9568 -5.9568 -5.8673 -5.8673 -5.8338 -5.8338 -4.3616 -4.3616 -4.1677 -4.1677 -3.9573 -3.9573 -3.8028 -3.8028 -3.6798 -3.6798 -3.2968 -3.2968 -2.7908 -2.7908 -2.6689 -2.6689 8.6224 8.6224 9.0705 9.0705 9.2533 9.2533 9.2754 9.2754 9.7502 9.7502 9.9507 9.9507 10.0062 10.0062 10.5583 10.5583 k =-0.3292 0.6280 0.5382 ( 4469 PWs) bands (ev): -19.0132 -19.0132 -18.9371 -18.9371 -18.9354 -18.9354 -18.7898 -18.7898 -6.2174 -6.2174 -5.9568 -5.9568 -5.8673 -5.8673 -5.8338 -5.8338 -4.3616 -4.3616 -4.1677 -4.1677 -3.9573 -3.9573 -3.8028 -3.8028 -3.6798 -3.6798 -3.2968 -3.2968 -2.7908 -2.7908 -2.6689 -2.6689 8.6224 8.6224 9.0705 9.0705 9.2533 9.2533 9.2754 9.2754 9.7502 9.7502 9.9507 9.9507 10.0062 10.0062 10.5583 10.5583 k =-0.3367 0.6094 0.5382 ( 4485 PWs) bands (ev): -19.0184 -19.0184 -18.9436 -18.9436 -18.9419 -18.9419 -18.7726 -18.7726 -6.1935 -6.1935 -5.9842 -5.9842 -5.8439 -5.8439 -5.8219 -5.8219 -4.3469 -4.3469 -4.1940 -4.1940 -3.9425 -3.9425 -3.7827 -3.7827 -3.7005 -3.7005 -3.3011 -3.3011 -2.8037 -2.8037 -2.6779 -2.6779 8.5396 8.5396 9.1094 9.1094 9.2419 9.2419 9.2648 9.2648 9.7005 9.7005 9.8678 9.8678 10.0141 10.0141 10.4783 10.4783 k =-0.3441 0.5907 0.5382 ( 4513 PWs) bands (ev): -19.0235 -19.0235 -18.9500 -18.9500 -18.9482 -18.9482 -18.7559 -18.7559 -6.1684 -6.1684 -6.0109 -6.0109 -5.8201 -5.8201 -5.8108 -5.8108 -4.3325 -4.3325 -4.2189 -4.2189 -3.9288 -3.9288 -3.7601 -3.7601 -3.7198 -3.7198 -3.3072 -3.3072 -2.8177 -2.8177 -2.6889 -2.6889 8.4561 8.4561 9.1424 9.1424 9.2322 9.2322 9.2542 9.2542 9.6375 9.6375 9.7961 9.7961 10.0263 10.0263 10.4098 10.4098 k =-0.3515 0.5721 0.5382 ( 4513 PWs) bands (ev): -19.0284 -19.0284 -18.9562 -18.9562 -18.9544 -18.9544 -18.7396 -18.7396 -6.1423 -6.1423 -6.0368 -6.0368 -5.8005 -5.8005 -5.7959 -5.7959 -4.3197 -4.3197 -4.2404 -4.2404 -3.9166 -3.9166 -3.7373 -3.7373 -3.7358 -3.7358 -3.3151 -3.3151 -2.8329 -2.8329 -2.7018 -2.7018 8.3728 8.3728 9.1642 9.1642 9.2271 9.2271 9.2436 9.2436 9.5594 9.5594 9.7395 9.7395 10.0428 10.0428 10.3552 10.3552 k =-0.3589 0.5534 0.5382 ( 4509 PWs) bands (ev): -19.0333 -19.0333 -18.9621 -18.9621 -18.9604 -18.9604 -18.7238 -18.7238 -6.1153 -6.1153 -6.0618 -6.0618 -5.7910 -5.7910 -5.7717 -5.7717 -4.3138 -4.3138 -4.2531 -4.2531 -3.9063 -3.9063 -3.7525 -3.7525 -3.7103 -3.7103 -3.3246 -3.3246 -2.8489 -2.8489 -2.7166 -2.7166 8.2906 8.2906 9.1689 9.1689 9.2300 9.2300 9.2326 9.2326 9.4712 9.4712 9.6944 9.6944 10.0635 10.0635 10.3166 10.3166 k =-0.3664 0.5348 0.5382 ( 4509 PWs) bands (ev): -19.0379 -19.0379 -18.9679 -18.9679 -18.9661 -18.9661 -18.7086 -18.7086 -6.0877 -6.0877 -6.0858 -6.0858 -5.7823 -5.7823 -5.7473 -5.7473 -4.3218 -4.3218 -4.2496 -4.2496 -3.8986 -3.8986 -3.7649 -3.7649 -3.6840 -3.6840 -3.3355 -3.3355 -2.8656 -2.8656 -2.7332 -2.7332 8.2102 8.2102 9.1605 9.1605 9.2208 9.2208 9.2346 9.2346 9.3789 9.3789 9.6559 9.6559 10.0884 10.0884 10.2962 10.2962 k =-0.3738 0.5161 0.5382 ( 4505 PWs) bands (ev): -19.0424 -19.0424 -18.9735 -18.9735 -18.9717 -18.9717 -18.6940 -18.6940 -6.1089 -6.1089 -6.0593 -6.0593 -5.7744 -5.7744 -5.7231 -5.7231 -4.3391 -4.3391 -4.2342 -4.2342 -3.8939 -3.8939 -3.7740 -3.7740 -3.6575 -3.6575 -3.3476 -3.3476 -2.8830 -2.8830 -2.7516 -2.7516 8.1322 8.1322 9.1462 9.1462 9.2072 9.2072 9.2327 9.2327 9.2872 9.2872 9.6214 9.6214 10.1176 10.1176 10.2949 10.2949 k =-0.3812 0.4975 0.5382 ( 4497 PWs) bands (ev): -19.0468 -19.0468 -18.9788 -18.9788 -18.9770 -18.9770 -18.6799 -18.6799 -6.1310 -6.1310 -6.0306 -6.0306 -5.7675 -5.7675 -5.6991 -5.6991 -4.3590 -4.3590 -4.2136 -4.2136 -3.8927 -3.8927 -3.7796 -3.7796 -3.6312 -3.6312 -3.3605 -3.3605 -2.9007 -2.9007 -2.7715 -2.7715 8.0569 8.0569 9.1290 9.1290 9.1785 9.1785 9.2113 9.2113 9.2213 9.2213 9.5896 9.5896 10.1511 10.1511 10.3124 10.3124 k =-0.3886 0.4788 0.5382 ( 4493 PWs) bands (ev): -19.0509 -19.0509 -18.9838 -18.9838 -18.9821 -18.9821 -18.6666 -18.6666 -6.1519 -6.1519 -6.0017 -6.0017 -5.7613 -5.7613 -5.6756 -5.6756 -4.3791 -4.3791 -4.1901 -4.1901 -3.8948 -3.8948 -3.7820 -3.7820 -3.6053 -3.6053 -3.3740 -3.3740 -2.9188 -2.9188 -2.7928 -2.7928 7.9848 7.9848 9.0994 9.0994 9.1097 9.1097 9.1877 9.1877 9.2009 9.2009 9.5600 9.5600 10.1889 10.1889 10.3470 10.3470 k =-0.3961 0.4602 0.5382 ( 4492 PWs) bands (ev): -19.0548 -19.0548 -18.9886 -18.9886 -18.9869 -18.9869 -18.6539 -18.6539 -6.1716 -6.1716 -5.9728 -5.9728 -5.7560 -5.7560 -5.6527 -5.6527 -4.3986 -4.3986 -4.1645 -4.1645 -3.8993 -3.8993 -3.7821 -3.7821 -3.5803 -3.5803 -3.3878 -3.3878 -2.9370 -2.9370 -2.8153 -2.8153 7.9164 7.9164 9.0149 9.0149 9.0888 9.0888 9.1720 9.1720 9.1736 9.1736 9.5322 9.5322 10.2308 10.2308 10.3962 10.3962 k =-0.4035 0.4415 0.5382 ( 4496 PWs) bands (ev): -19.0585 -19.0585 -18.9932 -18.9932 -18.9914 -18.9914 -18.6419 -18.6419 -6.1902 -6.1902 -5.9441 -5.9441 -5.7514 -5.7514 -5.6305 -5.6305 -4.4172 -4.4172 -4.1373 -4.1373 -3.9052 -3.9052 -3.7812 -3.7812 -3.5564 -3.5564 -3.4012 -3.4012 -2.9552 -2.9552 -2.8389 -2.8389 7.8517 7.8517 8.9336 8.9336 9.0665 9.0665 9.1417 9.1417 9.1565 9.1565 9.5062 9.5062 10.2769 10.2769 10.4572 10.4572 k =-0.4109 0.4229 0.5382 ( 4488 PWs) bands (ev): -19.0620 -19.0620 -18.9974 -18.9974 -18.9956 -18.9956 -18.6307 -18.6307 -6.2076 -6.2076 -5.9158 -5.9158 -5.7475 -5.7475 -5.6093 -5.6093 -4.4346 -4.4346 -4.1088 -4.1088 -3.9116 -3.9116 -3.7803 -3.7803 -3.5340 -3.5340 -3.4141 -3.4141 -2.9733 -2.9733 -2.8631 -2.8631 7.7912 7.7912 8.8566 8.8566 9.0431 9.0431 9.1075 9.1075 9.1406 9.1406 9.4820 9.4820 10.3271 10.3271 10.5267 10.5267 k =-0.4183 0.4042 0.5382 ( 4480 PWs) bands (ev): -19.0653 -19.0653 -19.0014 -19.0014 -18.9996 -18.9996 -18.6203 -18.6203 -6.2236 -6.2236 -5.8883 -5.8883 -5.7442 -5.7442 -5.5892 -5.5892 -4.4508 -4.4508 -4.0793 -4.0793 -3.9179 -3.9179 -3.7803 -3.7803 -3.5134 -3.5134 -3.4258 -3.4258 -2.9911 -2.9911 -2.8878 -2.8878 7.7349 7.7349 8.7844 8.7844 9.0184 9.0184 9.0732 9.0732 9.1244 9.1244 9.4595 9.4595 10.3814 10.3814 10.6007 10.6007 k =-0.4258 0.3856 0.5382 ( 4488 PWs) bands (ev): -19.0683 -19.0683 -19.0050 -19.0050 -19.0032 -19.0032 -18.6107 -18.6107 -6.2384 -6.2384 -5.8617 -5.8617 -5.7415 -5.7415 -5.5703 -5.5703 -4.4657 -4.4657 -4.0490 -4.0490 -3.9235 -3.9235 -3.7816 -3.7816 -3.4948 -3.4948 -3.4361 -3.4361 -3.0084 -3.0084 -2.9125 -2.9125 7.6832 7.6832 8.7174 8.7174 8.9925 8.9925 9.0407 9.0407 9.1082 9.1082 9.4389 9.4389 10.4395 10.4395 10.6721 10.6721 k =-0.4332 0.3669 0.5382 ( 4476 PWs) bands (ev): -19.0710 -19.0710 -19.0083 -19.0083 -19.0066 -19.0066 -18.6019 -18.6019 -6.2519 -6.2519 -5.8364 -5.8364 -5.7393 -5.7393 -5.5529 -5.5529 -4.4793 -4.4793 -4.0184 -4.0184 -3.9283 -3.9283 -3.7846 -3.7846 -3.4786 -3.4786 -3.4446 -3.4446 -3.0251 -3.0251 -2.9368 -2.9368 7.6360 7.6360 8.6560 8.6560 8.9654 8.9654 9.0114 9.0114 9.0922 9.0922 9.4200 9.4200 10.5016 10.5016 10.7294 10.7294 k =-0.4406 0.3483 0.5382 ( 4492 PWs) bands (ev): -19.0735 -19.0735 -19.0114 -19.0114 -19.0096 -19.0096 -18.5940 -18.5940 -6.2640 -6.2640 -5.8126 -5.8126 -5.7375 -5.7375 -5.5370 -5.5370 -4.4915 -4.4915 -3.9879 -3.9879 -3.9320 -3.9320 -3.7894 -3.7894 -3.4649 -3.4649 -3.4513 -3.4513 -3.0409 -3.0409 -2.9603 -2.9603 7.5935 7.5935 8.6003 8.6003 8.9379 8.9379 8.9857 8.9857 9.0767 9.0767 9.4031 9.4031 10.5672 10.5672 10.7723 10.7723 k =-0.4480 0.3296 0.5382 ( 4492 PWs) bands (ev): -19.0757 -19.0757 -19.0140 -19.0140 -19.0122 -19.0122 -18.5870 -18.5870 -6.2748 -6.2748 -5.7906 -5.7906 -5.7361 -5.7361 -5.5227 -5.5227 -4.5023 -4.5023 -3.9580 -3.9580 -3.9346 -3.9346 -3.7958 -3.7958 -3.4561 -3.4561 -3.4540 -3.4540 -3.0557 -3.0557 -2.9824 -2.9824 7.5558 7.5558 8.5507 8.5507 8.9112 8.9112 8.9636 8.9636 9.0622 9.0622 9.3880 9.3880 10.6363 10.6363 10.8117 10.8117 k =-0.4555 0.3109 0.5382 ( 4500 PWs) bands (ev): -19.0776 -19.0776 -19.0163 -19.0163 -19.0146 -19.0146 -18.5808 -18.5808 -6.2841 -6.2841 -5.7708 -5.7708 -5.7350 -5.7350 -5.5102 -5.5102 -4.5117 -4.5117 -3.9360 -3.9360 -3.9292 -3.9292 -3.8034 -3.8034 -3.4592 -3.4592 -3.4461 -3.4461 -3.0692 -3.0692 -3.0027 -3.0027 7.5231 7.5231 8.5073 8.5073 8.8865 8.8865 8.9445 8.9445 9.0489 9.0489 9.3749 9.3749 10.7083 10.7083 10.8531 10.8532 k =-0.4629 0.2923 0.5382 ( 4504 PWs) bands (ev): -19.0793 -19.0793 -19.0183 -19.0183 -19.0165 -19.0165 -18.5756 -18.5756 -6.2920 -6.2920 -5.7534 -5.7534 -5.7342 -5.7342 -5.4996 -5.4996 -4.5196 -4.5196 -3.9363 -3.9363 -3.9023 -3.9023 -3.8117 -3.8117 -3.4610 -3.4610 -3.4409 -3.4409 -3.0813 -3.0813 -3.0205 -3.0205 7.4952 7.4952 8.4702 8.4702 8.8646 8.8646 8.9283 8.9283 9.0372 9.0372 9.3637 9.3637 10.7826 10.7826 10.8982 10.8982 k =-0.4703 0.2736 0.5382 ( 4496 PWs) bands (ev): -19.0806 -19.0806 -19.0200 -19.0200 -19.0182 -19.0182 -18.5713 -18.5713 -6.2986 -6.2986 -5.7387 -5.7387 -5.7335 -5.7335 -5.4908 -5.4908 -4.5262 -4.5262 -3.9357 -3.9357 -3.8783 -3.8783 -3.8202 -3.8202 -3.4617 -3.4617 -3.4381 -3.4381 -3.0916 -3.0916 -3.0355 -3.0355 7.4724 7.4724 8.4397 8.4397 8.8462 8.8462 8.9149 8.9149 9.0272 9.0272 9.3545 9.3545 10.8578 10.8578 10.9472 10.9472 k =-0.4777 0.2550 0.5382 ( 4496 PWs) bands (ev): -19.0817 -19.0817 -19.0212 -19.0212 -19.0194 -19.0194 -18.5680 -18.5680 -6.3036 -6.3036 -5.7332 -5.7332 -5.7268 -5.7268 -5.4840 -5.4840 -4.5313 -4.5313 -3.9344 -3.9344 -3.8579 -3.8579 -3.8281 -3.8281 -3.4618 -3.4618 -3.4373 -3.4373 -3.0999 -3.0999 -3.0473 -3.0473 7.4546 7.4546 8.4159 8.4159 8.8315 8.8315 8.9044 8.9044 9.0192 9.0192 9.3474 9.3474 10.9311 10.9311 11.0004 11.0005 k =-0.4852 0.2363 0.5382 ( 4496 PWs) bands (ev): -19.0824 -19.0824 -19.0221 -19.0221 -19.0203 -19.0203 -18.5656 -18.5656 -6.3073 -6.3073 -5.7329 -5.7329 -5.7183 -5.7183 -5.4791 -5.4791 -4.5349 -4.5349 -3.9330 -3.9330 -3.8423 -3.8423 -3.8346 -3.8346 -3.4616 -3.4616 -3.4377 -3.4377 -3.1060 -3.1060 -3.0559 -3.0559 7.4419 7.4419 8.3988 8.3988 8.8209 8.8209 8.8968 8.8968 9.0133 9.0133 9.3423 9.3423 10.9965 10.9965 11.0584 11.0587 k =-0.4926 0.2177 0.5382 ( 4496 PWs) bands (ev): -19.0829 -19.0829 -19.0227 -19.0227 -19.0209 -19.0209 -18.5641 -18.5641 -6.3095 -6.3095 -5.7327 -5.7327 -5.7131 -5.7131 -5.4761 -5.4761 -4.5371 -4.5371 -3.9318 -3.9318 -3.8389 -3.8389 -3.8325 -3.8325 -3.4613 -3.4613 -3.4384 -3.4384 -3.1098 -3.1098 -3.0610 -3.0610 7.4343 7.4343 8.3885 8.3885 8.8145 8.8145 8.8922 8.8922 9.0098 9.0098 9.3392 9.3392 11.0446 11.0446 11.1086 11.1086 k =-0.5000 0.1990 0.5382 ( 4512 PWs) bands (ev): -19.0830 -19.0830 -19.0229 -19.0229 -19.0211 -19.0211 -18.5637 -18.5637 -6.3102 -6.3102 -5.7327 -5.7327 -5.7114 -5.7114 -5.4752 -5.4752 -4.5378 -4.5378 -3.9313 -3.9313 -3.8404 -3.8404 -3.8291 -3.8291 -3.4612 -3.4612 -3.4387 -3.4387 -3.1110 -3.1110 -3.0627 -3.0627 7.4317 7.4317 8.3851 8.3851 8.8123 8.8123 8.8907 8.8907 9.0086 9.0086 9.3382 9.3382 11.0633 11.0633 11.1316 11.1316 k = 0.0000 0.0000 0.5382 ( 4486 PWs) bands (ev): -19.2708 -19.2708 -19.0231 -19.0231 -18.7159 -18.7159 -18.6695 -18.6695 -6.1884 -6.1884 -6.1561 -6.1561 -5.6884 -5.6884 -5.2114 -5.2114 -4.4576 -4.4576 -4.4159 -4.4159 -3.9236 -3.9236 -3.8758 -3.8758 -3.4141 -3.4141 -3.2604 -3.2604 -3.1411 -3.1411 -2.6424 -2.6424 7.8985 7.8985 8.3197 8.3197 8.7039 8.7039 8.7347 8.7347 9.0547 9.0547 9.3122 9.3122 10.1668 10.1668 10.5002 10.5002 k = 0.0074 0.0185 0.5382 ( 4482 PWs) bands (ev): -19.2704 -19.2704 -19.0230 -19.0230 -18.7160 -18.7160 -18.6698 -18.6698 -6.1925 -6.1925 -6.1523 -6.1523 -5.6887 -5.6887 -5.2126 -5.2126 -4.4580 -4.4580 -4.4151 -4.4151 -3.9261 -3.9261 -3.8731 -3.8731 -3.4146 -3.4146 -3.2613 -3.2613 -3.1392 -3.1392 -2.6422 -2.6422 7.9008 7.9008 8.3217 8.3217 8.6961 8.6961 8.7370 8.7370 9.0560 9.0560 9.3231 9.3231 10.1647 10.1647 10.5023 10.5023 k = 0.0147 0.0369 0.5382 ( 4488 PWs) bands (ev): -19.2695 -19.2695 -19.0224 -19.0224 -18.7165 -18.7165 -18.6708 -18.6708 -6.2016 -6.2016 -6.1441 -6.1441 -5.6897 -5.6897 -5.2163 -5.2163 -4.4591 -4.4591 -4.4125 -4.4125 -3.9325 -3.9325 -3.8660 -3.8660 -3.4160 -3.4160 -3.2642 -3.2642 -3.1335 -3.1335 -2.6417 -2.6417 7.9079 7.9079 8.3277 8.3277 8.6752 8.6752 8.7432 8.7432 9.0596 9.0596 9.3545 9.3545 10.1585 10.1585 10.5083 10.5083 k = 0.0221 0.0554 0.5382 ( 4488 PWs) bands (ev): -19.2679 -19.2679 -19.0215 -19.0215 -18.7172 -18.7172 -18.6724 -18.6724 -6.2125 -6.2125 -6.1346 -6.1346 -5.6915 -5.6915 -5.2225 -5.2225 -4.4607 -4.4607 -4.4083 -4.4083 -3.9408 -3.9408 -3.8567 -3.8567 -3.4178 -3.4178 -3.2689 -3.2689 -3.1245 -3.1245 -2.6409 -2.6409 7.9196 7.9196 8.3375 8.3375 8.6456 8.6456 8.7530 8.7530 9.0649 9.0649 9.4028 9.4028 10.1488 10.1488 10.5175 10.5175 k = 0.0294 0.0739 0.5382 ( 4492 PWs) bands (ev): -19.2657 -19.2657 -19.0203 -19.0203 -18.7182 -18.7182 -18.6746 -18.6746 -6.2241 -6.2241 -6.1252 -6.1252 -5.6940 -5.6940 -5.2311 -5.2311 -4.4626 -4.4626 -4.4028 -4.4028 -3.9500 -3.9500 -3.8462 -3.8462 -3.4196 -3.4196 -3.2752 -3.2752 -3.1128 -3.1128 -2.6399 -2.6399 7.9359 7.9359 8.3508 8.3508 8.6115 8.6115 8.7664 8.7664 9.0718 9.0718 9.4641 9.4641 10.1361 10.1361 10.5250 10.5250 k = 0.0368 0.0924 0.5382 ( 4492 PWs) bands (ev): -19.2629 -19.2629 -19.0187 -19.0187 -18.7195 -18.7195 -18.6775 -18.6775 -6.2357 -6.2357 -6.1161 -6.1161 -5.6972 -5.6972 -5.2421 -5.2421 -4.4647 -4.4647 -4.3960 -4.3960 -3.9595 -3.9595 -3.8354 -3.8354 -3.4207 -3.4207 -3.2832 -3.2832 -3.0989 -3.0989 -2.6388 -2.6388 7.9566 7.9566 8.3674 8.3674 8.5763 8.5763 8.7832 8.7832 9.0804 9.0804 9.5348 9.5348 10.1214 10.1214 10.5207 10.5207 k = 0.0441 0.1108 0.5382 ( 4500 PWs) bands (ev): -19.2594 -19.2594 -19.0168 -19.0168 -18.7211 -18.7211 -18.6810 -18.6810 -6.2472 -6.2472 -6.1075 -6.1075 -5.7012 -5.7012 -5.2552 -5.2552 -4.4667 -4.4667 -4.3881 -4.3881 -3.9687 -3.9687 -3.8248 -3.8248 -3.4205 -3.4205 -3.2927 -3.2927 -3.0834 -3.0834 -2.6377 -2.6377 7.9814 7.9814 8.3867 8.3867 8.5426 8.5426 8.8035 8.8035 9.0913 9.0913 9.6122 9.6122 10.1055 10.1055 10.5093 10.5093 k = 0.0515 0.1293 0.5382 ( 4494 PWs) bands (ev): -19.2554 -19.2554 -19.0145 -19.0145 -18.7229 -18.7229 -18.6852 -18.6852 -6.2584 -6.2584 -6.0996 -6.0996 -5.7061 -5.7061 -5.2705 -5.2705 -4.4684 -4.4684 -4.3793 -4.3793 -3.9774 -3.9774 -3.8149 -3.8149 -3.4185 -3.4185 -3.3035 -3.3035 -3.0669 -3.0669 -2.6367 -2.6367 8.0101 8.0101 8.4082 8.4082 8.5120 8.5120 8.8269 8.8269 9.1051 9.1051 9.6941 9.6941 10.0891 10.0891 10.4931 10.4931 k = 0.0588 0.1478 0.5382 ( 4494 PWs) bands (ev): -19.2507 -19.2507 -19.0119 -19.0119 -18.7251 -18.7251 -18.6899 -18.6899 -6.2692 -6.2692 -6.0925 -6.0925 -5.7118 -5.7118 -5.2877 -5.2877 -4.4697 -4.4697 -4.3700 -4.3700 -3.9851 -3.9851 -3.8061 -3.8061 -3.4143 -3.4143 -3.3155 -3.3155 -3.0497 -3.0497 -2.6361 -2.6361 8.0421 8.0421 8.4312 8.4312 8.4862 8.4862 8.8532 8.8532 9.1226 9.1226 9.7788 9.7788 10.0729 10.0729 10.4722 10.4722 k = 0.0662 0.1662 0.5382 ( 4498 PWs) bands (ev): -19.2455 -19.2455 -19.0089 -19.0089 -18.7275 -18.7275 -18.6953 -18.6953 -6.2793 -6.2793 -6.0861 -6.0861 -5.7185 -5.7185 -5.3068 -5.3068 -4.4703 -4.4703 -4.3605 -4.3605 -3.9913 -3.9913 -3.7988 -3.7988 -3.4077 -3.4077 -3.3285 -3.3285 -3.0322 -3.0322 -2.6359 -2.6359 8.0769 8.0769 8.4532 8.4532 8.4680 8.4680 8.8820 8.8820 9.1444 9.1444 9.8646 9.8646 10.0577 10.0577 10.4464 10.4464 k = 0.0735 0.1847 0.5382 ( 4490 PWs) bands (ev): -19.2396 -19.2396 -19.0056 -19.0056 -18.7302 -18.7302 -18.7012 -18.7012 -6.2887 -6.2887 -6.0805 -6.0805 -5.7261 -5.7261 -5.3277 -5.3277 -4.4701 -4.4701 -4.3510 -4.3510 -3.9957 -3.9957 -3.7933 -3.7933 -3.3992 -3.3992 -3.3417 -3.3417 -3.0147 -3.0147 -2.6364 -2.6364 8.1132 8.1132 8.4517 8.4517 8.4807 8.4807 8.9129 8.9129 9.1716 9.1716 9.9495 9.9495 10.0450 10.0450 10.4159 10.4159 k = 0.0809 0.2032 0.5382 ( 4490 PWs) bands (ev): -19.2332 -19.2332 -19.0021 -19.0021 -18.7331 -18.7331 -18.7078 -18.7078 -6.2973 -6.2973 -6.0755 -6.0755 -5.7347 -5.7347 -5.3501 -5.3501 -4.4689 -4.4689 -4.3418 -4.3418 -3.9979 -3.9979 -3.7898 -3.7898 -3.3908 -3.3908 -3.3529 -3.3529 -2.9974 -2.9974 -2.6376 -2.6376 8.1497 8.1497 8.4485 8.4485 8.5033 8.5033 8.9452 8.9452 9.2050 9.2050 10.0153 10.0153 10.0519 10.0519 10.3817 10.3817 k = 0.0882 0.2217 0.5382 ( 4498 PWs) bands (ev): -19.2262 -19.2262 -18.9982 -18.9982 -18.7364 -18.7364 -18.7149 -18.7149 -6.3050 -6.3050 -6.0712 -6.0712 -5.7444 -5.7444 -5.3740 -5.3740 -4.4666 -4.4666 -4.3334 -4.3334 -3.9974 -3.9974 -3.7882 -3.7882 -3.3907 -3.3907 -3.3539 -3.3539 -2.9807 -2.9807 -2.6398 -2.6398 8.1846 8.1846 8.4559 8.4559 8.5247 8.5247 8.9783 8.9783 9.2451 9.2451 10.0147 10.0147 10.1252 10.1252 10.3454 10.3454 k = 0.0956 0.2401 0.5382 ( 4482 PWs) bands (ev): -19.2187 -19.2187 -18.9940 -18.9940 -18.7398 -18.7398 -18.7225 -18.7225 -6.3116 -6.3116 -6.0676 -6.0676 -5.7551 -5.7551 -5.3992 -5.3992 -4.4632 -4.4632 -4.3258 -4.3258 -3.9943 -3.9943 -3.7885 -3.7885 -3.4024 -3.4024 -3.3412 -3.3412 -2.9646 -2.9646 -2.6430 -2.6430 8.2161 8.2161 8.4757 8.4757 8.5442 8.5442 9.0112 9.0112 9.2927 9.2927 10.0071 10.0071 10.2042 10.2042 10.3098 10.3098 k = 0.1029 0.2586 0.5382 ( 4470 PWs) bands (ev): -19.2107 -19.2107 -18.9895 -18.9895 -18.7436 -18.7436 -18.7307 -18.7307 -6.3172 -6.3172 -6.0644 -6.0644 -5.7669 -5.7669 -5.4255 -5.4255 -4.4585 -4.4585 -4.3192 -4.3192 -3.9886 -3.9886 -3.7903 -3.7903 -3.4184 -3.4184 -3.3225 -3.3225 -2.9493 -2.9493 -2.6475 -2.6475 8.2436 8.2436 8.5085 8.5085 8.5615 8.5615 9.0427 9.0427 9.3479 9.3479 10.0010 10.0010 10.2610 10.2610 10.2963 10.2963 k = 0.1103 0.2771 0.5382 ( 4474 PWs) bands (ev): -19.2021 -19.2021 -18.9848 -18.9848 -18.7476 -18.7476 -18.7394 -18.7394 -6.3216 -6.3216 -6.0616 -6.0616 -5.7797 -5.7797 -5.4527 -5.4527 -4.4524 -4.4524 -4.3134 -4.3134 -3.9807 -3.9807 -3.7933 -3.7933 -3.4355 -3.4355 -3.3008 -3.3008 -2.9351 -2.9351 -2.6532 -2.6532 8.2683 8.2683 8.5520 8.5520 8.5772 8.5772 9.0717 9.0717 9.4109 9.4109 9.9972 9.9972 10.2393 10.2393 10.3627 10.3627 k = 0.1176 0.2955 0.5382 ( 4480 PWs) bands (ev): -19.1931 -19.1931 -18.9798 -18.9798 -18.7519 -18.7519 -18.7486 -18.7486 -6.3248 -6.3248 -6.0592 -6.0592 -5.7936 -5.7936 -5.4808 -5.4808 -4.4450 -4.4450 -4.3083 -4.3083 -3.9715 -3.9715 -3.7969 -3.7969 -3.4529 -3.4529 -3.2773 -3.2773 -2.9221 -2.9221 -2.6602 -2.6602 8.2919 8.2919 8.5850 8.5850 8.6108 8.6108 9.0965 9.0965 9.4814 9.4814 9.9958 9.9958 10.2165 10.2165 10.4338 10.4338 k = 0.1250 0.3140 0.5382 ( 4468 PWs) bands (ev): -19.1835 -19.1835 -18.9746 -18.9746 -18.7582 -18.7582 -18.7563 -18.7563 -6.3267 -6.3267 -6.0570 -6.0570 -5.8084 -5.8084 -5.5096 -5.5096 -4.4363 -4.4363 -4.3034 -4.3034 -3.9621 -3.9621 -3.8006 -3.8006 -3.4696 -3.4696 -3.2525 -3.2525 -2.9104 -2.9104 -2.6685 -2.6685 8.3165 8.3165 8.5965 8.5965 8.6710 8.6710 9.1158 9.1158 9.5591 9.5591 9.9972 9.9972 10.2020 10.2020 10.5023 10.5023 k = 0.1324 0.3325 0.5382 ( 4468 PWs) bands (ev): -19.1736 -19.1736 -18.9691 -18.9691 -18.7683 -18.7683 -18.7611 -18.7611 -6.3272 -6.3272 -6.0548 -6.0548 -5.8242 -5.8242 -5.5388 -5.5388 -4.4263 -4.4263 -4.2985 -4.2985 -3.9540 -3.9540 -3.8036 -3.8036 -3.4851 -3.4851 -3.2269 -3.2269 -2.9002 -2.9002 -2.6782 -2.6782 8.3433 8.3433 8.6051 8.6051 8.7375 8.7375 9.1282 9.1282 9.6436 9.6436 10.0015 10.0015 10.1980 10.1980 10.5676 10.5676 k = 0.1397 0.3510 0.5382 ( 4464 PWs) bands (ev): -19.1631 -19.1631 -18.9634 -18.9634 -18.7789 -18.7789 -18.7660 -18.7660 -6.3264 -6.3264 -6.0527 -6.0527 -5.8409 -5.8409 -5.5684 -5.5684 -4.4150 -4.4150 -4.2933 -4.2933 -3.9486 -3.9486 -3.8056 -3.8056 -3.4982 -3.4982 -3.2008 -3.2008 -2.8918 -2.8918 -2.6890 -2.6890 8.3733 8.3733 8.6123 8.6123 8.8079 8.8079 9.1329 9.1329 9.7342 9.7342 10.0091 10.0091 10.2056 10.2056 10.6292 10.6292 k = 0.1471 0.3694 0.5382 ( 4468 PWs) bands (ev): -19.1523 -19.1523 -18.9575 -18.9575 -18.7899 -18.7899 -18.7712 -18.7712 -6.3242 -6.3242 -6.0504 -6.0504 -5.8584 -5.8584 -5.5981 -5.5981 -4.4024 -4.4024 -4.2873 -4.2873 -3.9471 -3.9471 -3.8066 -3.8066 -3.5078 -3.5078 -3.1745 -3.1745 -2.8855 -2.8855 -2.7009 -2.7009 8.4070 8.4070 8.6185 8.6185 8.8805 8.8805 9.1296 9.1296 9.8304 9.8304 10.0201 10.0201 10.2251 10.2251 10.6864 10.6864 k = 0.1544 0.3879 0.5382 ( 4472 PWs) bands (ev): -19.1411 -19.1411 -18.9514 -18.9514 -18.8012 -18.8012 -18.7765 -18.7765 -6.3205 -6.3205 -6.0478 -6.0478 -5.8766 -5.8766 -5.6277 -5.6277 -4.3888 -4.3888 -4.2803 -4.2803 -3.9500 -3.9500 -3.8078 -3.8078 -3.5126 -3.5126 -3.1485 -3.1485 -2.8814 -2.8814 -2.7134 -2.7134 8.4446 8.4446 8.6242 8.6242 8.9540 8.9540 9.1189 9.1189 9.9314 9.9314 10.0346 10.0346 10.2562 10.2562 10.7376 10.7376 k = 0.1618 0.4064 0.5382 ( 4480 PWs) bands (ev): -19.1295 -19.1295 -18.9452 -18.9452 -18.8130 -18.8130 -18.7821 -18.7821 -6.3155 -6.3155 -6.0449 -6.0449 -5.8955 -5.8955 -5.6571 -5.6571 -4.3741 -4.3741 -4.2722 -4.2722 -3.9570 -3.9570 -3.8107 -3.8107 -3.5114 -3.5114 -3.1229 -3.1229 -2.8801 -2.8801 -2.7263 -2.7263 8.4860 8.4860 8.6299 8.6299 9.0268 9.0268 9.1016 9.1016 10.0351 10.0351 10.0539 10.0539 10.2977 10.2977 10.7801 10.7801 k = 0.1691 0.4249 0.5382 ( 4478 PWs) bands (ev): -19.1176 -19.1176 -18.9388 -18.9388 -18.8250 -18.8250 -18.7879 -18.7879 -6.3089 -6.3089 -6.0417 -6.0417 -5.9148 -5.9148 -5.6862 -5.6862 -4.3585 -4.3585 -4.2626 -4.2626 -3.9671 -3.9671 -3.8170 -3.8170 -3.5033 -3.5033 -3.0982 -3.0982 -2.8818 -2.8818 -2.7390 -2.7390 8.5311 8.5311 8.6361 8.6361 9.0790 9.0790 9.0975 9.0975 10.0728 10.0728 10.1460 10.1460 10.3484 10.3484 10.8106 10.8106 k = 0.1765 0.4433 0.5382 ( 4478 PWs) bands (ev): -19.1053 -19.1053 -18.9322 -18.9322 -18.8374 -18.8374 -18.7938 -18.7938 -6.3010 -6.3010 -6.0380 -6.0380 -5.9346 -5.9346 -5.7146 -5.7146 -4.3422 -4.3422 -4.2514 -4.2514 -3.9799 -3.9799 -3.8274 -3.8274 -3.4886 -3.4886 -3.0747 -3.0747 -2.8868 -2.8868 -2.7509 -2.7509 8.5789 8.5789 8.6438 8.6438 9.0528 9.0528 9.1637 9.1637 10.0973 10.0973 10.2567 10.2567 10.4066 10.4066 10.8264 10.8264 k = 0.1838 0.4618 0.5382 ( 4474 PWs) bands (ev): -19.0928 -19.0928 -18.9255 -18.9255 -18.8501 -18.8501 -18.7999 -18.7999 -6.2916 -6.2916 -6.0340 -6.0340 -5.9544 -5.9544 -5.7423 -5.7423 -4.3253 -4.3253 -4.2387 -4.2387 -3.9944 -3.9944 -3.8418 -3.8418 -3.4679 -3.4679 -3.0533 -3.0533 -2.8949 -2.8949 -2.7619 -2.7619 8.6243 8.6243 8.6583 8.6583 9.0239 9.0239 9.2234 9.2234 10.1249 10.1249 10.3686 10.3686 10.4708 10.4708 10.8289 10.8289 k = 0.1912 0.4803 0.5382 ( 4464 PWs) bands (ev): -19.0800 -19.0800 -18.9187 -18.9187 -18.8630 -18.8630 -18.8062 -18.8062 -6.2808 -6.2808 -6.0301 -6.0301 -5.9737 -5.9737 -5.7691 -5.7691 -4.3079 -4.3079 -4.2242 -4.2242 -4.0104 -4.0104 -3.8596 -3.8596 -3.4424 -3.4424 -3.0352 -3.0352 -2.9049 -2.9049 -2.7717 -2.7717 8.6479 8.6479 8.6988 8.6988 8.9934 8.9934 9.2741 9.2741 10.1557 10.1557 10.4795 10.4795 10.5393 10.5393 10.8243 10.8243 k = 0.1985 0.4987 0.5382 ( 4486 PWs) bands (ev): -19.0669 -19.0669 -18.9118 -18.9118 -18.8761 -18.8761 -18.8126 -18.8126 -6.2687 -6.2687 -6.0284 -6.0284 -5.9902 -5.9902 -5.7949 -5.7949 -4.2901 -4.2901 -4.2080 -4.2080 -4.0274 -4.0274 -3.8800 -3.8800 -3.4133 -3.4133 -3.0230 -3.0230 -2.9141 -2.9141 -2.7807 -2.7807 8.6598 8.6598 8.7551 8.7551 8.9623 8.9623 9.3130 9.3130 10.1895 10.1895 10.5862 10.5862 10.6111 10.6111 10.8203 10.8203 k = 0.2059 0.5172 0.5382 ( 4478 PWs) bands (ev): -19.0537 -19.0537 -18.9049 -18.9049 -18.8895 -18.8895 -18.8192 -18.8192 -6.2552 -6.2552 -6.0347 -6.0347 -5.9979 -5.9979 -5.8195 -5.8195 -4.2721 -4.2721 -4.1901 -4.1901 -4.0452 -4.0452 -3.9025 -3.9025 -3.3814 -3.3814 -3.0205 -3.0205 -2.9181 -2.9181 -2.7892 -2.7892 8.6710 8.6710 8.8157 8.8157 8.9313 8.9313 9.3379 9.3379 10.2265 10.2265 10.6773 10.6773 10.6896 10.6896 10.8237 10.8237 k = 0.2132 0.5357 0.5382 ( 4486 PWs) bands (ev): -19.0402 -19.0402 -18.9030 -18.9030 -18.8978 -18.8978 -18.8258 -18.8258 -6.2405 -6.2405 -6.0506 -6.0506 -5.9952 -5.9952 -5.8428 -5.8428 -4.2539 -4.2539 -4.1708 -4.1708 -4.0634 -4.0634 -3.9263 -3.9263 -3.3477 -3.3477 -3.0304 -3.0304 -2.9140 -2.9140 -2.7977 -2.7977 8.6833 8.6833 8.8785 8.8785 8.9010 8.9010 9.3474 9.3474 10.2666 10.2666 10.7454 10.7454 10.7555 10.7555 10.8395 10.8395 k = 0.2206 0.5542 0.5382 ( 4492 PWs) bands (ev): -19.0266 -19.0266 -18.9166 -18.9166 -18.8908 -18.8908 -18.8326 -18.8326 -6.2246 -6.2246 -6.0701 -6.0701 -5.9875 -5.9875 -5.8647 -5.8647 -4.2356 -4.2356 -4.1503 -4.1503 -4.0816 -4.0816 -3.9510 -3.9510 -3.3128 -3.3128 -3.0501 -3.0501 -2.9037 -2.9037 -2.8065 -2.8065 8.6970 8.6970 8.8713 8.8713 8.9430 8.9430 9.3413 9.3413 10.3096 10.3096 10.7316 10.7316 10.8187 10.8187 10.8682 10.8682 k = 0.2279 0.5726 0.5382 ( 4482 PWs) bands (ev): -19.0129 -19.0129 -18.9304 -18.9304 -18.8837 -18.8837 -18.8395 -18.8395 -6.2077 -6.2077 -6.0907 -6.0907 -5.9776 -5.9776 -5.8853 -5.8853 -4.2170 -4.2170 -4.1304 -4.1304 -4.0982 -4.0982 -3.9763 -3.9763 -3.2772 -3.2772 -3.0760 -3.0760 -2.8906 -2.8906 -2.8161 -2.8161 8.7124 8.7124 8.8433 8.8433 9.0075 9.0075 9.3203 9.3203 10.3556 10.3556 10.6794 10.6794 10.8793 10.8793 10.9108 10.9108 k = 0.2353 0.5911 0.5382 ( 4478 PWs) bands (ev): -18.9991 -18.9991 -18.9443 -18.9443 -18.8765 -18.8765 -18.8464 -18.8464 -6.1897 -6.1897 -6.1115 -6.1115 -5.9659 -5.9659 -5.9044 -5.9044 -4.1983 -4.1983 -4.1267 -4.1267 -4.0978 -4.0978 -4.0019 -4.0019 -3.2415 -3.2415 -3.1056 -3.1056 -2.8766 -2.8766 -2.8265 -2.8265 8.7296 8.7296 8.8168 8.8168 9.0713 9.0713 9.2866 9.2866 10.4043 10.4043 10.6221 10.6221 10.9354 10.9354 10.9606 10.9606 k = 0.2426 0.6096 0.5382 ( 4484 PWs) bands (ev): -18.9852 -18.9852 -18.9582 -18.9582 -18.8694 -18.8694 -18.8535 -18.8535 -6.1708 -6.1708 -6.1321 -6.1321 -5.9527 -5.9527 -5.9220 -5.9220 -4.1795 -4.1795 -4.1428 -4.1428 -4.0766 -4.0766 -4.0273 -4.0273 -3.2060 -3.2060 -3.1377 -3.1377 -2.8628 -2.8628 -2.8378 -2.8378 8.7487 8.7487 8.7921 8.7921 9.1329 9.1329 9.2425 9.2425 10.4555 10.4555 10.5650 10.5650 10.9856 10.9856 11.0099 11.0099 k = 0.2500 0.6280 0.5382 ( 4476 PWs) bands (ev): -18.9726 -18.9726 -18.9708 -18.9708 -18.8623 -18.8623 -18.8605 -18.8605 -6.1525 -6.1525 -6.1510 -6.1510 -5.9387 -5.9387 -5.9375 -5.9375 -4.1613 -4.1613 -4.1607 -4.1607 -4.0527 -4.0527 -4.0520 -4.0520 -3.1718 -3.1718 -3.1708 -3.1708 -2.8506 -2.8506 -2.8492 -2.8492 8.7692 8.7692 8.7697 8.7697 9.1900 9.1900 9.1911 9.1911 10.5087 10.5087 10.5097 10.5097 11.0167 11.0167 11.0169 11.0169 Writing output data file Ba.save init_run : 0.16s CPU 0.28s WALL ( 1 calls) electrons : 144.17s CPU 146.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 144.16s CPU 146.24s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 272 calls) cegterg : 133.53s CPU 135.19s WALL ( 454 calls) Called by sum_band: Called by *egterg: h_psi : 80.58s CPU 81.61s WALL ( 7091 calls) s_psi : 4.60s CPU 4.54s WALL ( 7091 calls) g_psi : 0.18s CPU 0.21s WALL ( 6365 calls) cdiaghg : 41.09s CPU 41.68s WALL ( 6637 calls) cegterg:over : 4.70s CPU 5.00s WALL ( 6365 calls) cegterg:upda : 4.56s CPU 4.54s WALL ( 6365 calls) cegterg:last : 2.64s CPU 2.63s WALL ( 1254 calls) cdiaghg:chol : 2.49s CPU 2.36s WALL ( 6637 calls) cdiaghg:inve : 1.34s CPU 1.50s WALL ( 6637 calls) cdiaghg:para : 2.59s CPU 2.48s WALL ( 13274 calls) Called by h_psi: h_psi:vloc : 69.79s CPU 70.88s WALL ( 7091 calls) h_psi:vnl : 10.58s CPU 10.53s WALL ( 7091 calls) add_vuspsi : 5.44s CPU 5.40s WALL ( 7091 calls) General routines calbec : 5.12s CPU 5.12s WALL ( 7091 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.54s CPU 66.50s WALL ( 663496 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.22s WALL ( 544 calls) Parallel routines fft_scatter : 21.20s CPU 21.38s WALL ( 663519 calls) PWSCF : 2m36.90s CPU 2m48.25s WALL This run was terminated on: 14: 8:15 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=