Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:41 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: ./C.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 16 5 1049 366 65 Max 35 17 7 1053 383 68 Sum 1195 597 185 37825 13473 2351 bravais-lattice index = 14 lattice parameter (alat) = 6.7673 a.u. unit-cell volume = 379.3744 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.767348 celldm(2)= 1.000000 celldm(3)= 1.225034 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.039286 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.039286 0.999228 0.000000 ) a(3) = ( 0.000000 0.000000 1.225034 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.039316 -0.000000 ) b(2) = ( 0.000000 1.000773 -0.000000 ) b(3) = ( 0.000000 0.000000 0.816304 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 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 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5196429 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4996140 ) ( 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 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5196429 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4996140 ) ( 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= 492 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 2) = ( 0.0078869 0.0082031 -0.0000000), wk = 0.0020325 k( 3) = ( 0.0157738 0.0164061 -0.0000000), wk = 0.0020325 k( 4) = ( 0.0236606 0.0246092 -0.0000000), wk = 0.0020325 k( 5) = ( 0.0315475 0.0328122 -0.0000000), wk = 0.0020325 k( 6) = ( 0.0394344 0.0410153 -0.0000000), wk = 0.0020325 k( 7) = ( 0.0473213 0.0492183 -0.0000000), wk = 0.0020325 k( 8) = ( 0.0552082 0.0574214 -0.0000000), wk = 0.0020325 k( 9) = ( 0.0630950 0.0656244 -0.0000000), wk = 0.0020325 k( 10) = ( 0.0709819 0.0738275 -0.0000000), wk = 0.0020325 k( 11) = ( 0.0788688 0.0820305 -0.0000000), wk = 0.0020325 k( 12) = ( 0.0867557 0.0902336 -0.0000000), wk = 0.0020325 k( 13) = ( 0.0946426 0.0984367 -0.0000000), wk = 0.0020325 k( 14) = ( 0.1025294 0.1066397 -0.0000000), wk = 0.0020325 k( 15) = ( 0.1104163 0.1148428 -0.0000000), wk = 0.0020325 k( 16) = ( 0.1183032 0.1230458 -0.0000000), wk = 0.0020325 k( 17) = ( 0.1261901 0.1312489 -0.0000000), wk = 0.0020325 k( 18) = ( 0.1340770 0.1394519 -0.0000000), wk = 0.0020325 k( 19) = ( 0.1419638 0.1476550 -0.0000000), wk = 0.0020325 k( 20) = ( 0.1498507 0.1558580 -0.0000000), wk = 0.0020325 k( 21) = ( 0.1577376 0.1640611 -0.0000000), wk = 0.0020325 k( 22) = ( 0.1656245 0.1722641 -0.0000000), wk = 0.0020325 k( 23) = ( 0.1735114 0.1804672 -0.0000000), wk = 0.0020325 k( 24) = ( 0.1813982 0.1886702 -0.0000000), wk = 0.0020325 k( 25) = ( 0.1892851 0.1968733 -0.0000000), wk = 0.0020325 k( 26) = ( 0.1971720 0.2050763 -0.0000000), wk = 0.0020325 k( 27) = ( 0.2050589 0.2132794 -0.0000000), wk = 0.0020325 k( 28) = ( 0.2129457 0.2214825 -0.0000000), wk = 0.0020325 k( 29) = ( 0.2208326 0.2296855 -0.0000000), wk = 0.0020325 k( 30) = ( 0.2287195 0.2378886 -0.0000000), wk = 0.0020325 k( 31) = ( 0.2366064 0.2460916 -0.0000000), wk = 0.0020325 k( 32) = ( 0.2444933 0.2542947 -0.0000000), wk = 0.0020325 k( 33) = ( 0.2523802 0.2624977 -0.0000000), wk = 0.0020325 k( 34) = ( 0.2602670 0.2707008 -0.0000000), wk = 0.0020325 k( 35) = ( 0.2681539 0.2789038 -0.0000000), wk = 0.0020325 k( 36) = ( 0.2760408 0.2871069 -0.0000000), wk = 0.0020325 k( 37) = ( 0.2839277 0.2953099 -0.0000000), wk = 0.0020325 k( 38) = ( 0.2918146 0.3035130 -0.0000000), wk = 0.0020325 k( 39) = ( 0.2997014 0.3117161 -0.0000000), wk = 0.0020325 k( 40) = ( 0.3075883 0.3199191 -0.0000000), wk = 0.0020325 k( 41) = ( 0.3154752 0.3281222 -0.0000000), wk = 0.0020325 k( 42) = ( 0.3233621 0.3363252 -0.0000000), wk = 0.0020325 k( 43) = ( 0.3312489 0.3445283 -0.0000000), wk = 0.0020325 k( 44) = ( 0.3391358 0.3527313 -0.0000000), wk = 0.0020325 k( 45) = ( 0.3470227 0.3609344 -0.0000000), wk = 0.0020325 k( 46) = ( 0.3549096 0.3691374 -0.0000000), wk = 0.0020325 k( 47) = ( 0.3627965 0.3773405 -0.0000000), wk = 0.0020325 k( 48) = ( 0.3706833 0.3855435 -0.0000000), wk = 0.0020325 k( 49) = ( 0.3785702 0.3937466 -0.0000000), wk = 0.0020325 k( 50) = ( 0.3864571 0.4019496 -0.0000000), wk = 0.0020325 k( 51) = ( 0.3943440 0.4101527 -0.0000000), wk = 0.0020325 k( 52) = ( 0.4022309 0.4183557 -0.0000000), wk = 0.0020325 k( 53) = ( 0.4101177 0.4265588 -0.0000000), wk = 0.0020325 k( 54) = ( 0.4180046 0.4347619 -0.0000000), wk = 0.0020325 k( 55) = ( 0.4258915 0.4429649 -0.0000000), wk = 0.0020325 k( 56) = ( 0.4337784 0.4511680 -0.0000000), wk = 0.0020325 k( 57) = ( 0.4416653 0.4593710 -0.0000000), wk = 0.0020325 k( 58) = ( 0.4495521 0.4675741 -0.0000000), wk = 0.0020325 k( 59) = ( 0.4574390 0.4757771 -0.0000000), wk = 0.0020325 k( 60) = ( 0.4653259 0.4839802 -0.0000000), wk = 0.0020325 k( 61) = ( 0.4732128 0.4921832 -0.0000000), wk = 0.0020325 k( 62) = ( 0.4810997 0.5003863 -0.0000000), wk = 0.0020325 k( 63) = ( 0.4810997 0.5003863 -0.0000000), wk = 0.0020325 k( 64) = ( 0.4699113 0.5003863 -0.0000000), wk = 0.0020325 k( 65) = ( 0.4587229 0.5003863 -0.0000000), wk = 0.0020325 k( 66) = ( 0.4475346 0.5003863 -0.0000000), wk = 0.0020325 k( 67) = ( 0.4363462 0.5003863 -0.0000000), wk = 0.0020325 k( 68) = ( 0.4251578 0.5003863 -0.0000000), wk = 0.0020325 k( 69) = ( 0.4139695 0.5003863 -0.0000000), wk = 0.0020325 k( 70) = ( 0.4027811 0.5003863 -0.0000000), wk = 0.0020325 k( 71) = ( 0.3915927 0.5003863 -0.0000000), wk = 0.0020325 k( 72) = ( 0.3804044 0.5003863 -0.0000000), wk = 0.0020325 k( 73) = ( 0.3692160 0.5003863 -0.0000000), wk = 0.0020325 k( 74) = ( 0.3580276 0.5003863 -0.0000000), wk = 0.0020325 k( 75) = ( 0.3468393 0.5003863 -0.0000000), wk = 0.0020325 k( 76) = ( 0.3356509 0.5003863 -0.0000000), wk = 0.0020325 k( 77) = ( 0.3244626 0.5003863 -0.0000000), wk = 0.0020325 k( 78) = ( 0.3132742 0.5003863 -0.0000000), wk = 0.0020325 k( 79) = ( 0.3020858 0.5003863 -0.0000000), wk = 0.0020325 k( 80) = ( 0.2908975 0.5003863 -0.0000000), wk = 0.0020325 k( 81) = ( 0.2797091 0.5003863 -0.0000000), wk = 0.0020325 k( 82) = ( 0.2685207 0.5003863 -0.0000000), wk = 0.0020325 k( 83) = ( 0.2573324 0.5003863 -0.0000000), wk = 0.0020325 k( 84) = ( 0.2461440 0.5003863 -0.0000000), wk = 0.0020325 k( 85) = ( 0.2349556 0.5003863 -0.0000000), wk = 0.0020325 k( 86) = ( 0.2237673 0.5003863 -0.0000000), wk = 0.0020325 k( 87) = ( 0.2125789 0.5003863 -0.0000000), wk = 0.0020325 k( 88) = ( 0.2013906 0.5003863 -0.0000000), wk = 0.0020325 k( 89) = ( 0.1902022 0.5003863 -0.0000000), wk = 0.0020325 k( 90) = ( 0.1790138 0.5003863 -0.0000000), wk = 0.0020325 k( 91) = ( 0.1678255 0.5003863 -0.0000000), wk = 0.0020325 k( 92) = ( 0.1566371 0.5003863 -0.0000000), wk = 0.0020325 k( 93) = ( 0.1454487 0.5003863 -0.0000000), wk = 0.0020325 k( 94) = ( 0.1342604 0.5003863 -0.0000000), wk = 0.0020325 k( 95) = ( 0.1230720 0.5003863 -0.0000000), wk = 0.0020325 k( 96) = ( 0.1118836 0.5003863 -0.0000000), wk = 0.0020325 k( 97) = ( 0.1006953 0.5003863 -0.0000000), wk = 0.0020325 k( 98) = ( 0.0895069 0.5003863 -0.0000000), wk = 0.0020325 k( 99) = ( 0.0783186 0.5003863 -0.0000000), wk = 0.0020325 k( 100) = ( 0.0671302 0.5003863 -0.0000000), wk = 0.0020325 k( 101) = ( 0.0559418 0.5003863 -0.0000000), wk = 0.0020325 k( 102) = ( 0.0447535 0.5003863 -0.0000000), wk = 0.0020325 k( 103) = ( 0.0335651 0.5003863 -0.0000000), wk = 0.0020325 k( 104) = ( 0.0223767 0.5003863 -0.0000000), wk = 0.0020325 k( 105) = ( 0.0111884 0.5003863 -0.0000000), wk = 0.0020325 k( 106) = ( 0.0000000 0.5003863 -0.0000000), wk = 0.0020325 k( 107) = ( 0.0000000 0.5003863 -0.0000000), wk = 0.0020325 k( 108) = ( 0.0000000 0.5003863 0.0113376), wk = 0.0020325 k( 109) = ( 0.0000000 0.5003863 0.0226751), wk = 0.0020325 k( 110) = ( 0.0000000 0.5003863 0.0340127), wk = 0.0020325 k( 111) = ( 0.0000000 0.5003863 0.0453502), wk = 0.0020325 k( 112) = ( 0.0000000 0.5003863 0.0566878), wk = 0.0020325 k( 113) = ( 0.0000000 0.5003863 0.0680253), wk = 0.0020325 k( 114) = ( 0.0000000 0.5003863 0.0793629), wk = 0.0020325 k( 115) = ( 0.0000000 0.5003863 0.0907005), wk = 0.0020325 k( 116) = ( 0.0000000 0.5003863 0.1020380), wk = 0.0020325 k( 117) = ( 0.0000000 0.5003863 0.1133756), wk = 0.0020325 k( 118) = ( 0.0000000 0.5003863 0.1247131), wk = 0.0020325 k( 119) = ( 0.0000000 0.5003863 0.1360507), wk = 0.0020325 k( 120) = ( 0.0000000 0.5003863 0.1473883), wk = 0.0020325 k( 121) = ( 0.0000000 0.5003863 0.1587258), wk = 0.0020325 k( 122) = ( 0.0000000 0.5003863 0.1700634), wk = 0.0020325 k( 123) = ( 0.0000000 0.5003863 0.1814009), wk = 0.0020325 k( 124) = ( 0.0000000 0.5003863 0.1927385), wk = 0.0020325 k( 125) = ( 0.0000000 0.5003863 0.2040760), wk = 0.0020325 k( 126) = ( 0.0000000 0.5003863 0.2154136), wk = 0.0020325 k( 127) = ( 0.0000000 0.5003863 0.2267512), wk = 0.0020325 k( 128) = ( 0.0000000 0.5003863 0.2380887), wk = 0.0020325 k( 129) = ( 0.0000000 0.5003863 0.2494263), wk = 0.0020325 k( 130) = ( 0.0000000 0.5003863 0.2607638), wk = 0.0020325 k( 131) = ( 0.0000000 0.5003863 0.2721014), wk = 0.0020325 k( 132) = ( 0.0000000 0.5003863 0.2834389), wk = 0.0020325 k( 133) = ( 0.0000000 0.5003863 0.2947765), wk = 0.0020325 k( 134) = ( 0.0000000 0.5003863 0.3061141), wk = 0.0020325 k( 135) = ( 0.0000000 0.5003863 0.3174516), wk = 0.0020325 k( 136) = ( 0.0000000 0.5003863 0.3287892), wk = 0.0020325 k( 137) = ( 0.0000000 0.5003863 0.3401267), wk = 0.0020325 k( 138) = ( 0.0000000 0.5003863 0.3514643), wk = 0.0020325 k( 139) = ( 0.0000000 0.5003863 0.3628018), wk = 0.0020325 k( 140) = ( 0.0000000 0.5003863 0.3741394), wk = 0.0020325 k( 141) = ( 0.0000000 0.5003863 0.3854770), wk = 0.0020325 k( 142) = ( 0.0000000 0.5003863 0.3968145), wk = 0.0020325 k( 143) = ( 0.0000000 0.5003863 0.4081521), wk = 0.0020325 k( 144) = ( 0.0000000 0.5003863 0.4081521), wk = 0.0020325 k( 145) = ( 0.0111884 0.5003863 0.4081521), wk = 0.0020325 k( 146) = ( 0.0223767 0.5003863 0.4081521), wk = 0.0020325 k( 147) = ( 0.0335651 0.5003863 0.4081521), wk = 0.0020325 k( 148) = ( 0.0447535 0.5003863 0.4081521), wk = 0.0020325 k( 149) = ( 0.0559418 0.5003863 0.4081521), wk = 0.0020325 k( 150) = ( 0.0671302 0.5003863 0.4081521), wk = 0.0020325 k( 151) = ( 0.0783186 0.5003863 0.4081521), wk = 0.0020325 k( 152) = ( 0.0895069 0.5003863 0.4081521), wk = 0.0020325 k( 153) = ( 0.1006953 0.5003863 0.4081521), wk = 0.0020325 k( 154) = ( 0.1118836 0.5003863 0.4081521), wk = 0.0020325 k( 155) = ( 0.1230720 0.5003863 0.4081521), wk = 0.0020325 k( 156) = ( 0.1342604 0.5003863 0.4081521), wk = 0.0020325 k( 157) = ( 0.1454487 0.5003863 0.4081521), wk = 0.0020325 k( 158) = ( 0.1566371 0.5003863 0.4081521), wk = 0.0020325 k( 159) = ( 0.1678255 0.5003863 0.4081521), wk = 0.0020325 k( 160) = ( 0.1790138 0.5003863 0.4081521), wk = 0.0020325 k( 161) = ( 0.1902022 0.5003863 0.4081521), wk = 0.0020325 k( 162) = ( 0.2013906 0.5003863 0.4081521), wk = 0.0020325 k( 163) = ( 0.2125789 0.5003863 0.4081521), wk = 0.0020325 k( 164) = ( 0.2237673 0.5003863 0.4081521), wk = 0.0020325 k( 165) = ( 0.2349556 0.5003863 0.4081521), wk = 0.0020325 k( 166) = ( 0.2461440 0.5003863 0.4081521), wk = 0.0020325 k( 167) = ( 0.2573324 0.5003863 0.4081521), wk = 0.0020325 k( 168) = ( 0.2685207 0.5003863 0.4081521), wk = 0.0020325 k( 169) = ( 0.2797091 0.5003863 0.4081521), wk = 0.0020325 k( 170) = ( 0.2908975 0.5003863 0.4081521), wk = 0.0020325 k( 171) = ( 0.3020858 0.5003863 0.4081521), wk = 0.0020325 k( 172) = ( 0.3132742 0.5003863 0.4081521), wk = 0.0020325 k( 173) = ( 0.3244626 0.5003863 0.4081521), wk = 0.0020325 k( 174) = ( 0.3356509 0.5003863 0.4081521), wk = 0.0020325 k( 175) = ( 0.3468393 0.5003863 0.4081521), wk = 0.0020325 k( 176) = ( 0.3580276 0.5003863 0.4081521), wk = 0.0020325 k( 177) = ( 0.3692160 0.5003863 0.4081521), wk = 0.0020325 k( 178) = ( 0.3804044 0.5003863 0.4081521), wk = 0.0020325 k( 179) = ( 0.3915927 0.5003863 0.4081521), wk = 0.0020325 k( 180) = ( 0.4027811 0.5003863 0.4081521), wk = 0.0020325 k( 181) = ( 0.4139695 0.5003863 0.4081521), wk = 0.0020325 k( 182) = ( 0.4251578 0.5003863 0.4081521), wk = 0.0020325 k( 183) = ( 0.4363462 0.5003863 0.4081521), wk = 0.0020325 k( 184) = ( 0.4475346 0.5003863 0.4081521), wk = 0.0020325 k( 185) = ( 0.4587229 0.5003863 0.4081521), wk = 0.0020325 k( 186) = ( 0.4699113 0.5003863 0.4081521), wk = 0.0020325 k( 187) = ( 0.4810997 0.5003863 0.4081521), wk = 0.0020325 k( 188) = ( 0.4810997 0.5003863 0.4081521), wk = 0.0020325 k( 189) = ( 0.4732128 0.4921832 0.4081521), wk = 0.0020325 k( 190) = ( 0.4653259 0.4839802 0.4081521), wk = 0.0020325 k( 191) = ( 0.4574390 0.4757771 0.4081521), wk = 0.0020325 k( 192) = ( 0.4495521 0.4675741 0.4081521), wk = 0.0020325 k( 193) = ( 0.4416653 0.4593710 0.4081521), wk = 0.0020325 k( 194) = ( 0.4337784 0.4511680 0.4081521), wk = 0.0020325 k( 195) = ( 0.4258915 0.4429649 0.4081521), wk = 0.0020325 k( 196) = ( 0.4180046 0.4347619 0.4081521), wk = 0.0020325 k( 197) = ( 0.4101177 0.4265588 0.4081521), wk = 0.0020325 k( 198) = ( 0.4022309 0.4183557 0.4081521), wk = 0.0020325 k( 199) = ( 0.3943440 0.4101527 0.4081521), wk = 0.0020325 k( 200) = ( 0.3864571 0.4019496 0.4081521), wk = 0.0020325 k( 201) = ( 0.3785702 0.3937466 0.4081521), wk = 0.0020325 k( 202) = ( 0.3706833 0.3855435 0.4081521), wk = 0.0020325 k( 203) = ( 0.3627965 0.3773405 0.4081521), wk = 0.0020325 k( 204) = ( 0.3549096 0.3691374 0.4081521), wk = 0.0020325 k( 205) = ( 0.3470227 0.3609344 0.4081521), wk = 0.0020325 k( 206) = ( 0.3391358 0.3527313 0.4081521), wk = 0.0020325 k( 207) = ( 0.3312489 0.3445283 0.4081521), wk = 0.0020325 k( 208) = ( 0.3233621 0.3363252 0.4081521), wk = 0.0020325 k( 209) = ( 0.3154752 0.3281222 0.4081521), wk = 0.0020325 k( 210) = ( 0.3075883 0.3199191 0.4081521), wk = 0.0020325 k( 211) = ( 0.2997014 0.3117161 0.4081521), wk = 0.0020325 k( 212) = ( 0.2918146 0.3035130 0.4081521), wk = 0.0020325 k( 213) = ( 0.2839277 0.2953099 0.4081521), wk = 0.0020325 k( 214) = ( 0.2760408 0.2871069 0.4081521), wk = 0.0020325 k( 215) = ( 0.2681539 0.2789038 0.4081521), wk = 0.0020325 k( 216) = ( 0.2602670 0.2707008 0.4081521), wk = 0.0020325 k( 217) = ( 0.2523802 0.2624977 0.4081521), wk = 0.0020325 k( 218) = ( 0.2444933 0.2542947 0.4081521), wk = 0.0020325 k( 219) = ( 0.2366064 0.2460916 0.4081521), wk = 0.0020325 k( 220) = ( 0.2287195 0.2378886 0.4081521), wk = 0.0020325 k( 221) = ( 0.2208326 0.2296855 0.4081521), wk = 0.0020325 k( 222) = ( 0.2129457 0.2214825 0.4081521), wk = 0.0020325 k( 223) = ( 0.2050589 0.2132794 0.4081521), wk = 0.0020325 k( 224) = ( 0.1971720 0.2050763 0.4081521), wk = 0.0020325 k( 225) = ( 0.1892851 0.1968733 0.4081521), wk = 0.0020325 k( 226) = ( 0.1813982 0.1886702 0.4081521), wk = 0.0020325 k( 227) = ( 0.1735114 0.1804672 0.4081521), wk = 0.0020325 k( 228) = ( 0.1656245 0.1722641 0.4081521), wk = 0.0020325 k( 229) = ( 0.1577376 0.1640611 0.4081521), wk = 0.0020325 k( 230) = ( 0.1498507 0.1558580 0.4081521), wk = 0.0020325 k( 231) = ( 0.1419638 0.1476550 0.4081521), wk = 0.0020325 k( 232) = ( 0.1340770 0.1394519 0.4081521), wk = 0.0020325 k( 233) = ( 0.1261901 0.1312489 0.4081521), wk = 0.0020325 k( 234) = ( 0.1183032 0.1230458 0.4081521), wk = 0.0020325 k( 235) = ( 0.1104163 0.1148428 0.4081521), wk = 0.0020325 k( 236) = ( 0.1025294 0.1066397 0.4081521), wk = 0.0020325 k( 237) = ( 0.0946426 0.0984367 0.4081521), wk = 0.0020325 k( 238) = ( 0.0867557 0.0902336 0.4081521), wk = 0.0020325 k( 239) = ( 0.0788688 0.0820305 0.4081521), wk = 0.0020325 k( 240) = ( 0.0709819 0.0738275 0.4081521), wk = 0.0020325 k( 241) = ( 0.0630950 0.0656244 0.4081521), wk = 0.0020325 k( 242) = ( 0.0552082 0.0574214 0.4081521), wk = 0.0020325 k( 243) = ( 0.0473213 0.0492183 0.4081521), wk = 0.0020325 k( 244) = ( 0.0394344 0.0410153 0.4081521), wk = 0.0020325 k( 245) = ( 0.0315475 0.0328122 0.4081521), wk = 0.0020325 k( 246) = ( 0.0236606 0.0246092 0.4081521), wk = 0.0020325 k( 247) = ( 0.0157738 0.0164061 0.4081521), wk = 0.0020325 k( 248) = ( 0.0078869 0.0082031 0.4081521), wk = 0.0020325 k( 249) = ( 0.0000000 0.0000000 0.4081521), wk = 0.0020325 k( 250) = ( 0.0000000 0.0000000 0.4081521), wk = 0.0020325 k( 251) = ( 0.0000000 0.0000000 0.3968145), wk = 0.0020325 k( 252) = ( 0.0000000 0.0000000 0.3854770), wk = 0.0020325 k( 253) = ( 0.0000000 0.0000000 0.3741394), wk = 0.0020325 k( 254) = ( 0.0000000 0.0000000 0.3628018), wk = 0.0020325 k( 255) = ( 0.0000000 0.0000000 0.3514643), wk = 0.0020325 k( 256) = ( 0.0000000 0.0000000 0.3401267), wk = 0.0020325 k( 257) = ( 0.0000000 0.0000000 0.3287892), wk = 0.0020325 k( 258) = ( 0.0000000 0.0000000 0.3174516), wk = 0.0020325 k( 259) = ( 0.0000000 0.0000000 0.3061141), wk = 0.0020325 k( 260) = ( 0.0000000 0.0000000 0.2947765), wk = 0.0020325 k( 261) = ( 0.0000000 0.0000000 0.2834389), wk = 0.0020325 k( 262) = ( 0.0000000 0.0000000 0.2721014), wk = 0.0020325 k( 263) = ( 0.0000000 0.0000000 0.2607638), wk = 0.0020325 k( 264) = ( 0.0000000 0.0000000 0.2494263), wk = 0.0020325 k( 265) = ( 0.0000000 0.0000000 0.2380887), wk = 0.0020325 k( 266) = ( 0.0000000 0.0000000 0.2267512), wk = 0.0020325 k( 267) = ( 0.0000000 0.0000000 0.2154136), wk = 0.0020325 k( 268) = ( 0.0000000 0.0000000 0.2040760), wk = 0.0020325 k( 269) = ( 0.0000000 0.0000000 0.1927385), wk = 0.0020325 k( 270) = ( 0.0000000 0.0000000 0.1814009), wk = 0.0020325 k( 271) = ( 0.0000000 0.0000000 0.1700634), wk = 0.0020325 k( 272) = ( 0.0000000 0.0000000 0.1587258), wk = 0.0020325 k( 273) = ( 0.0000000 0.0000000 0.1473883), wk = 0.0020325 k( 274) = ( 0.0000000 0.0000000 0.1360507), wk = 0.0020325 k( 275) = ( 0.0000000 0.0000000 0.1247131), wk = 0.0020325 k( 276) = ( 0.0000000 0.0000000 0.1133756), wk = 0.0020325 k( 277) = ( 0.0000000 0.0000000 0.1020380), wk = 0.0020325 k( 278) = ( 0.0000000 0.0000000 0.0907005), wk = 0.0020325 k( 279) = ( 0.0000000 0.0000000 0.0793629), wk = 0.0020325 k( 280) = ( 0.0000000 0.0000000 0.0680253), wk = 0.0020325 k( 281) = ( 0.0000000 0.0000000 0.0566878), wk = 0.0020325 k( 282) = ( 0.0000000 0.0000000 0.0453502), wk = 0.0020325 k( 283) = ( 0.0000000 0.0000000 0.0340127), wk = 0.0020325 k( 284) = ( 0.0000000 0.0000000 0.0226751), wk = 0.0020325 k( 285) = ( 0.0000000 0.0000000 0.0113376), wk = 0.0020325 k( 286) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 288) = ( -0.0081967 0.0078808 0.0000000), wk = 0.0020325 k( 289) = ( -0.0163934 0.0157616 0.0000000), wk = 0.0020325 k( 290) = ( -0.0245902 0.0236424 0.0000000), wk = 0.0020325 k( 291) = ( -0.0327869 0.0315232 0.0000000), wk = 0.0020325 k( 292) = ( -0.0409836 0.0394040 0.0000000), wk = 0.0020325 k( 293) = ( -0.0491803 0.0472847 0.0000000), wk = 0.0020325 k( 294) = ( -0.0573770 0.0551655 0.0000000), wk = 0.0020325 k( 295) = ( -0.0655738 0.0630463 0.0000000), wk = 0.0020325 k( 296) = ( -0.0737705 0.0709271 0.0000000), wk = 0.0020325 k( 297) = ( -0.0819672 0.0788079 0.0000000), wk = 0.0020325 k( 298) = ( -0.0901639 0.0866887 0.0000000), wk = 0.0020325 k( 299) = ( -0.0983607 0.0945695 0.0000000), wk = 0.0020325 k( 300) = ( -0.1065574 0.1024503 0.0000000), wk = 0.0020325 k( 301) = ( -0.1147541 0.1103311 0.0000000), wk = 0.0020325 k( 302) = ( -0.1229508 0.1182119 0.0000000), wk = 0.0020325 k( 303) = ( -0.1311475 0.1260927 0.0000000), wk = 0.0020325 k( 304) = ( -0.1393443 0.1339734 0.0000000), wk = 0.0020325 k( 305) = ( -0.1475410 0.1418542 0.0000000), wk = 0.0020325 k( 306) = ( -0.1557377 0.1497350 0.0000000), wk = 0.0020325 k( 307) = ( -0.1639344 0.1576158 0.0000000), wk = 0.0020325 k( 308) = ( -0.1721312 0.1654966 0.0000000), wk = 0.0020325 k( 309) = ( -0.1803279 0.1733774 0.0000000), wk = 0.0020325 k( 310) = ( -0.1885246 0.1812582 0.0000000), wk = 0.0020325 k( 311) = ( -0.1967213 0.1891390 0.0000000), wk = 0.0020325 k( 312) = ( -0.2049180 0.1970198 0.0000000), wk = 0.0020325 k( 313) = ( -0.2131147 0.2049006 0.0000000), wk = 0.0020325 k( 314) = ( -0.2213115 0.2127814 0.0000000), wk = 0.0020325 k( 315) = ( -0.2295082 0.2206622 0.0000000), wk = 0.0020325 k( 316) = ( -0.2377049 0.2285429 0.0000000), wk = 0.0020325 k( 317) = ( -0.2459016 0.2364237 0.0000000), wk = 0.0020325 k( 318) = ( -0.2540984 0.2443045 0.0000000), wk = 0.0020325 k( 319) = ( -0.2622951 0.2521853 0.0000000), wk = 0.0020325 k( 320) = ( -0.2704918 0.2600661 0.0000000), wk = 0.0020325 k( 321) = ( -0.2786885 0.2679469 0.0000000), wk = 0.0020325 k( 322) = ( -0.2868852 0.2758277 0.0000000), wk = 0.0020325 k( 323) = ( -0.2950820 0.2837085 0.0000000), wk = 0.0020325 k( 324) = ( -0.3032787 0.2915893 0.0000000), wk = 0.0020325 k( 325) = ( -0.3114754 0.2994701 0.0000000), wk = 0.0020325 k( 326) = ( -0.3196721 0.3073509 0.0000000), wk = 0.0020325 k( 327) = ( -0.3278688 0.3152316 0.0000000), wk = 0.0020325 k( 328) = ( -0.3360656 0.3231124 0.0000000), wk = 0.0020325 k( 329) = ( -0.3442623 0.3309932 0.0000000), wk = 0.0020325 k( 330) = ( -0.3524590 0.3388740 0.0000000), wk = 0.0020325 k( 331) = ( -0.3606557 0.3467548 0.0000000), wk = 0.0020325 k( 332) = ( -0.3688525 0.3546356 0.0000000), wk = 0.0020325 k( 333) = ( -0.3770492 0.3625164 0.0000000), wk = 0.0020325 k( 334) = ( -0.3852459 0.3703972 0.0000000), wk = 0.0020325 k( 335) = ( -0.3934426 0.3782780 0.0000000), wk = 0.0020325 k( 336) = ( -0.4016393 0.3861588 0.0000000), wk = 0.0020325 k( 337) = ( -0.4098361 0.3940396 0.0000000), wk = 0.0020325 k( 338) = ( -0.4180328 0.4019204 0.0000000), wk = 0.0020325 k( 339) = ( -0.4262295 0.4098011 0.0000000), wk = 0.0020325 k( 340) = ( -0.4344262 0.4176819 0.0000000), wk = 0.0020325 k( 341) = ( -0.4426230 0.4255627 0.0000000), wk = 0.0020325 k( 342) = ( -0.4508197 0.4334435 0.0000000), wk = 0.0020325 k( 343) = ( -0.4590164 0.4413243 0.0000000), wk = 0.0020325 k( 344) = ( -0.4672131 0.4492051 0.0000000), wk = 0.0020325 k( 345) = ( -0.4754098 0.4570859 0.0000000), wk = 0.0020325 k( 346) = ( -0.4836066 0.4649667 0.0000000), wk = 0.0020325 k( 347) = ( -0.4918033 0.4728475 0.0000000), wk = 0.0020325 k( 348) = ( -0.5000000 0.4807283 0.0000000), wk = 0.0020325 k( 349) = ( -0.5000000 0.4807283 0.0000000), wk = 0.0020325 k( 350) = ( -0.4936999 0.4872809 -0.0000000), wk = 0.0020325 k( 351) = ( -0.4873998 0.4938336 -0.0000000), wk = 0.0020325 k( 352) = ( -0.4810997 0.5003863 -0.0000000), wk = 0.0020325 k( 353) = ( -0.4810997 0.5003863 -0.0000000), wk = 0.0020325 k( 354) = ( -0.4810997 0.5003863 0.0113376), wk = 0.0020325 k( 355) = ( -0.4810997 0.5003863 0.0226751), wk = 0.0020325 k( 356) = ( -0.4810997 0.5003863 0.0340127), wk = 0.0020325 k( 357) = ( -0.4810997 0.5003863 0.0453502), wk = 0.0020325 k( 358) = ( -0.4810997 0.5003863 0.0566878), wk = 0.0020325 k( 359) = ( -0.4810997 0.5003863 0.0680253), wk = 0.0020325 k( 360) = ( -0.4810997 0.5003863 0.0793629), wk = 0.0020325 k( 361) = ( -0.4810997 0.5003863 0.0907005), wk = 0.0020325 k( 362) = ( -0.4810997 0.5003863 0.1020380), wk = 0.0020325 k( 363) = ( -0.4810997 0.5003863 0.1133756), wk = 0.0020325 k( 364) = ( -0.4810997 0.5003863 0.1247131), wk = 0.0020325 k( 365) = ( -0.4810997 0.5003863 0.1360507), wk = 0.0020325 k( 366) = ( -0.4810997 0.5003863 0.1473883), wk = 0.0020325 k( 367) = ( -0.4810997 0.5003863 0.1587258), wk = 0.0020325 k( 368) = ( -0.4810997 0.5003863 0.1700634), wk = 0.0020325 k( 369) = ( -0.4810997 0.5003863 0.1814009), wk = 0.0020325 k( 370) = ( -0.4810997 0.5003863 0.1927385), wk = 0.0020325 k( 371) = ( -0.4810997 0.5003863 0.2040760), wk = 0.0020325 k( 372) = ( -0.4810997 0.5003863 0.2154136), wk = 0.0020325 k( 373) = ( -0.4810997 0.5003863 0.2267512), wk = 0.0020325 k( 374) = ( -0.4810997 0.5003863 0.2380887), wk = 0.0020325 k( 375) = ( -0.4810997 0.5003863 0.2494263), wk = 0.0020325 k( 376) = ( -0.4810997 0.5003863 0.2607638), wk = 0.0020325 k( 377) = ( -0.4810997 0.5003863 0.2721014), wk = 0.0020325 k( 378) = ( -0.4810997 0.5003863 0.2834389), wk = 0.0020325 k( 379) = ( -0.4810997 0.5003863 0.2947765), wk = 0.0020325 k( 380) = ( -0.4810997 0.5003863 0.3061141), wk = 0.0020325 k( 381) = ( -0.4810997 0.5003863 0.3174516), wk = 0.0020325 k( 382) = ( -0.4810997 0.5003863 0.3287892), wk = 0.0020325 k( 383) = ( -0.4810997 0.5003863 0.3401267), wk = 0.0020325 k( 384) = ( -0.4810997 0.5003863 0.3514643), wk = 0.0020325 k( 385) = ( -0.4810997 0.5003863 0.3628018), wk = 0.0020325 k( 386) = ( -0.4810997 0.5003863 0.3741394), wk = 0.0020325 k( 387) = ( -0.4810997 0.5003863 0.3854770), wk = 0.0020325 k( 388) = ( -0.4810997 0.5003863 0.3968145), wk = 0.0020325 k( 389) = ( -0.4810997 0.5003863 0.4081521), wk = 0.0020325 k( 390) = ( -0.4810997 0.5003863 0.4081521), wk = 0.0020325 k( 391) = ( -0.4873998 0.4938336 0.4081521), wk = 0.0020325 k( 392) = ( -0.4936999 0.4872809 0.4081521), wk = 0.0020325 k( 393) = ( -0.5000000 0.4807283 0.4081521), wk = 0.0020325 k( 394) = ( -0.5000000 0.4807283 0.4081521), wk = 0.0020325 k( 395) = ( -0.5000000 0.4807283 0.3968145), wk = 0.0020325 k( 396) = ( -0.5000000 0.4807283 0.3854770), wk = 0.0020325 k( 397) = ( -0.5000000 0.4807283 0.3741394), wk = 0.0020325 k( 398) = ( -0.5000000 0.4807283 0.3628018), wk = 0.0020325 k( 399) = ( -0.5000000 0.4807283 0.3514643), wk = 0.0020325 k( 400) = ( -0.5000000 0.4807283 0.3401267), wk = 0.0020325 k( 401) = ( -0.5000000 0.4807283 0.3287892), wk = 0.0020325 k( 402) = ( -0.5000000 0.4807283 0.3174516), wk = 0.0020325 k( 403) = ( -0.5000000 0.4807283 0.3061141), wk = 0.0020325 k( 404) = ( -0.5000000 0.4807283 0.2947765), wk = 0.0020325 k( 405) = ( -0.5000000 0.4807283 0.2834389), wk = 0.0020325 k( 406) = ( -0.5000000 0.4807283 0.2721014), wk = 0.0020325 k( 407) = ( -0.5000000 0.4807283 0.2607638), wk = 0.0020325 k( 408) = ( -0.5000000 0.4807283 0.2494263), wk = 0.0020325 k( 409) = ( -0.5000000 0.4807283 0.2380887), wk = 0.0020325 k( 410) = ( -0.5000000 0.4807283 0.2267512), wk = 0.0020325 k( 411) = ( -0.5000000 0.4807283 0.2154136), wk = 0.0020325 k( 412) = ( -0.5000000 0.4807283 0.2040760), wk = 0.0020325 k( 413) = ( -0.5000000 0.4807283 0.1927385), wk = 0.0020325 k( 414) = ( -0.5000000 0.4807283 0.1814009), wk = 0.0020325 k( 415) = ( -0.5000000 0.4807283 0.1700634), wk = 0.0020325 k( 416) = ( -0.5000000 0.4807283 0.1587258), wk = 0.0020325 k( 417) = ( -0.5000000 0.4807283 0.1473883), wk = 0.0020325 k( 418) = ( -0.5000000 0.4807283 0.1360507), wk = 0.0020325 k( 419) = ( -0.5000000 0.4807283 0.1247131), wk = 0.0020325 k( 420) = ( -0.5000000 0.4807283 0.1133756), wk = 0.0020325 k( 421) = ( -0.5000000 0.4807283 0.1020380), wk = 0.0020325 k( 422) = ( -0.5000000 0.4807283 0.0907005), wk = 0.0020325 k( 423) = ( -0.5000000 0.4807283 0.0793629), wk = 0.0020325 k( 424) = ( -0.5000000 0.4807283 0.0680253), wk = 0.0020325 k( 425) = ( -0.5000000 0.4807283 0.0566878), wk = 0.0020325 k( 426) = ( -0.5000000 0.4807283 0.0453502), wk = 0.0020325 k( 427) = ( -0.5000000 0.4807283 0.0340127), wk = 0.0020325 k( 428) = ( -0.5000000 0.4807283 0.0226751), wk = 0.0020325 k( 429) = ( -0.5000000 0.4807283 0.0113376), wk = 0.0020325 k( 430) = ( -0.5000000 0.4807283 0.0000000), wk = 0.0020325 k( 431) = ( 0.0000000 0.0000000 0.4081521), wk = 0.0020325 k( 432) = ( -0.0081967 0.0078808 0.4081521), wk = 0.0020325 k( 433) = ( -0.0163934 0.0157616 0.4081521), wk = 0.0020325 k( 434) = ( -0.0245902 0.0236424 0.4081521), wk = 0.0020325 k( 435) = ( -0.0327869 0.0315232 0.4081521), wk = 0.0020325 k( 436) = ( -0.0409836 0.0394040 0.4081521), wk = 0.0020325 k( 437) = ( -0.0491803 0.0472847 0.4081521), wk = 0.0020325 k( 438) = ( -0.0573770 0.0551655 0.4081521), wk = 0.0020325 k( 439) = ( -0.0655738 0.0630463 0.4081521), wk = 0.0020325 k( 440) = ( -0.0737705 0.0709271 0.4081521), wk = 0.0020325 k( 441) = ( -0.0819672 0.0788079 0.4081521), wk = 0.0020325 k( 442) = ( -0.0901639 0.0866887 0.4081521), wk = 0.0020325 k( 443) = ( -0.0983607 0.0945695 0.4081521), wk = 0.0020325 k( 444) = ( -0.1065574 0.1024503 0.4081521), wk = 0.0020325 k( 445) = ( -0.1147541 0.1103311 0.4081521), wk = 0.0020325 k( 446) = ( -0.1229508 0.1182119 0.4081521), wk = 0.0020325 k( 447) = ( -0.1311475 0.1260927 0.4081521), wk = 0.0020325 k( 448) = ( -0.1393443 0.1339734 0.4081521), wk = 0.0020325 k( 449) = ( -0.1475410 0.1418542 0.4081521), wk = 0.0020325 k( 450) = ( -0.1557377 0.1497350 0.4081521), wk = 0.0020325 k( 451) = ( -0.1639344 0.1576158 0.4081521), wk = 0.0020325 k( 452) = ( -0.1721312 0.1654966 0.4081521), wk = 0.0020325 k( 453) = ( -0.1803279 0.1733774 0.4081521), wk = 0.0020325 k( 454) = ( -0.1885246 0.1812582 0.4081521), wk = 0.0020325 k( 455) = ( -0.1967213 0.1891390 0.4081521), wk = 0.0020325 k( 456) = ( -0.2049180 0.1970198 0.4081521), wk = 0.0020325 k( 457) = ( -0.2131147 0.2049006 0.4081521), wk = 0.0020325 k( 458) = ( -0.2213115 0.2127814 0.4081521), wk = 0.0020325 k( 459) = ( -0.2295082 0.2206622 0.4081521), wk = 0.0020325 k( 460) = ( -0.2377049 0.2285429 0.4081521), wk = 0.0020325 k( 461) = ( -0.2459016 0.2364237 0.4081521), wk = 0.0020325 k( 462) = ( -0.2540984 0.2443045 0.4081521), wk = 0.0020325 k( 463) = ( -0.2622951 0.2521853 0.4081521), wk = 0.0020325 k( 464) = ( -0.2704918 0.2600661 0.4081521), wk = 0.0020325 k( 465) = ( -0.2786885 0.2679469 0.4081521), wk = 0.0020325 k( 466) = ( -0.2868852 0.2758277 0.4081521), wk = 0.0020325 k( 467) = ( -0.2950820 0.2837085 0.4081521), wk = 0.0020325 k( 468) = ( -0.3032787 0.2915893 0.4081521), wk = 0.0020325 k( 469) = ( -0.3114754 0.2994701 0.4081521), wk = 0.0020325 k( 470) = ( -0.3196721 0.3073509 0.4081521), wk = 0.0020325 k( 471) = ( -0.3278688 0.3152316 0.4081521), wk = 0.0020325 k( 472) = ( -0.3360656 0.3231124 0.4081521), wk = 0.0020325 k( 473) = ( -0.3442623 0.3309932 0.4081521), wk = 0.0020325 k( 474) = ( -0.3524590 0.3388740 0.4081521), wk = 0.0020325 k( 475) = ( -0.3606557 0.3467548 0.4081521), wk = 0.0020325 k( 476) = ( -0.3688525 0.3546356 0.4081521), wk = 0.0020325 k( 477) = ( -0.3770492 0.3625164 0.4081521), wk = 0.0020325 k( 478) = ( -0.3852459 0.3703972 0.4081521), wk = 0.0020325 k( 479) = ( -0.3934426 0.3782780 0.4081521), wk = 0.0020325 k( 480) = ( -0.4016393 0.3861588 0.4081521), wk = 0.0020325 k( 481) = ( -0.4098361 0.3940396 0.4081521), wk = 0.0020325 k( 482) = ( -0.4180328 0.4019204 0.4081521), wk = 0.0020325 k( 483) = ( -0.4262295 0.4098011 0.4081521), wk = 0.0020325 k( 484) = ( -0.4344262 0.4176819 0.4081521), wk = 0.0020325 k( 485) = ( -0.4426230 0.4255627 0.4081521), wk = 0.0020325 k( 486) = ( -0.4508197 0.4334435 0.4081521), wk = 0.0020325 k( 487) = ( -0.4590164 0.4413243 0.4081521), wk = 0.0020325 k( 488) = ( -0.4672131 0.4492051 0.4081521), wk = 0.0020325 k( 489) = ( -0.4754098 0.4570859 0.4081521), wk = 0.0020325 k( 490) = ( -0.4836066 0.4649667 0.4081521), wk = 0.0020325 k( 491) = ( -0.4918033 0.4728475 0.4081521), wk = 0.0020325 k( 492) = ( -0.5000000 0.4807283 0.4081521), wk = 0.0020325 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 2) = ( 0.0078869 0.0078869 -0.0000000), wk = 0.0020325 k( 3) = ( 0.0157738 0.0157738 -0.0000000), wk = 0.0020325 k( 4) = ( 0.0236606 0.0236606 0.0000000), wk = 0.0020325 k( 5) = ( 0.0315475 0.0315475 -0.0000000), wk = 0.0020325 k( 6) = ( 0.0394344 0.0394344 -0.0000000), wk = 0.0020325 k( 7) = ( 0.0473213 0.0473213 0.0000000), wk = 0.0020325 k( 8) = ( 0.0552082 0.0552082 -0.0000000), wk = 0.0020325 k( 9) = ( 0.0630950 0.0630950 -0.0000000), wk = 0.0020325 k( 10) = ( 0.0709819 0.0709819 -0.0000000), wk = 0.0020325 k( 11) = ( 0.0788688 0.0788688 -0.0000000), wk = 0.0020325 k( 12) = ( 0.0867557 0.0867557 0.0000000), wk = 0.0020325 k( 13) = ( 0.0946426 0.0946426 0.0000000), wk = 0.0020325 k( 14) = ( 0.1025294 0.1025294 0.0000000), wk = 0.0020325 k( 15) = ( 0.1104163 0.1104163 -0.0000000), wk = 0.0020325 k( 16) = ( 0.1183032 0.1183032 -0.0000000), wk = 0.0020325 k( 17) = ( 0.1261901 0.1261901 0.0000000), wk = 0.0020325 k( 18) = ( 0.1340770 0.1340769 -0.0000000), wk = 0.0020325 k( 19) = ( 0.1419638 0.1419638 0.0000000), wk = 0.0020325 k( 20) = ( 0.1498507 0.1498507 -0.0000000), wk = 0.0020325 k( 21) = ( 0.1577376 0.1577376 -0.0000000), wk = 0.0020325 k( 22) = ( 0.1656245 0.1656245 -0.0000000), wk = 0.0020325 k( 23) = ( 0.1735114 0.1735114 0.0000000), wk = 0.0020325 k( 24) = ( 0.1813982 0.1813982 0.0000000), wk = 0.0020325 k( 25) = ( 0.1892851 0.1892851 0.0000000), wk = 0.0020325 k( 26) = ( 0.1971720 0.1971720 0.0000000), wk = 0.0020325 k( 27) = ( 0.2050589 0.2050589 0.0000000), wk = 0.0020325 k( 28) = ( 0.2129457 0.2129457 -0.0000000), wk = 0.0020325 k( 29) = ( 0.2208326 0.2208326 0.0000000), wk = 0.0020325 k( 30) = ( 0.2287195 0.2287195 -0.0000000), wk = 0.0020325 k( 31) = ( 0.2366064 0.2366064 -0.0000000), wk = 0.0020325 k( 32) = ( 0.2444933 0.2444933 -0.0000000), wk = 0.0020325 k( 33) = ( 0.2523802 0.2523802 0.0000000), wk = 0.0020325 k( 34) = ( 0.2602670 0.2602670 -0.0000000), wk = 0.0020325 k( 35) = ( 0.2681539 0.2681539 0.0000000), wk = 0.0020325 k( 36) = ( 0.2760408 0.2760408 0.0000000), wk = 0.0020325 k( 37) = ( 0.2839277 0.2839277 0.0000000), wk = 0.0020325 k( 38) = ( 0.2918146 0.2918146 -0.0000000), wk = 0.0020325 k( 39) = ( 0.2997014 0.2997014 0.0000000), wk = 0.0020325 k( 40) = ( 0.3075883 0.3075883 0.0000000), wk = 0.0020325 k( 41) = ( 0.3154752 0.3154752 0.0000000), wk = 0.0020325 k( 42) = ( 0.3233621 0.3233621 -0.0000000), wk = 0.0020325 k( 43) = ( 0.3312489 0.3312489 0.0000000), wk = 0.0020325 k( 44) = ( 0.3391358 0.3391358 0.0000000), wk = 0.0020325 k( 45) = ( 0.3470227 0.3470227 0.0000000), wk = 0.0020325 k( 46) = ( 0.3549096 0.3549096 0.0000000), wk = 0.0020325 k( 47) = ( 0.3627965 0.3627965 0.0000000), wk = 0.0020325 k( 48) = ( 0.3706833 0.3706833 0.0000000), wk = 0.0020325 k( 49) = ( 0.3785702 0.3785702 0.0000000), wk = 0.0020325 k( 50) = ( 0.3864571 0.3864571 0.0000000), wk = 0.0020325 k( 51) = ( 0.3943440 0.3943440 0.0000000), wk = 0.0020325 k( 52) = ( 0.4022309 0.4022309 0.0000000), wk = 0.0020325 k( 53) = ( 0.4101177 0.4101177 0.0000000), wk = 0.0020325 k( 54) = ( 0.4180046 0.4180046 -0.0000000), wk = 0.0020325 k( 55) = ( 0.4258915 0.4258915 -0.0000000), wk = 0.0020325 k( 56) = ( 0.4337784 0.4337784 0.0000000), wk = 0.0020325 k( 57) = ( 0.4416653 0.4416653 0.0000000), wk = 0.0020325 k( 58) = ( 0.4495521 0.4495521 -0.0000000), wk = 0.0020325 k( 59) = ( 0.4574390 0.4574390 -0.0000000), wk = 0.0020325 k( 60) = ( 0.4653259 0.4653259 -0.0000000), wk = 0.0020325 k( 61) = ( 0.4732128 0.4732128 -0.0000000), wk = 0.0020325 k( 62) = ( 0.4810997 0.4810997 -0.0000000), wk = 0.0020325 k( 63) = ( 0.4810997 0.4810997 -0.0000000), wk = 0.0020325 k( 64) = ( 0.4699113 0.4815392 0.0000000), wk = 0.0020325 k( 65) = ( 0.4587229 0.4819787 -0.0000000), wk = 0.0020325 k( 66) = ( 0.4475346 0.4824183 -0.0000000), wk = 0.0020325 k( 67) = ( 0.4363462 0.4828578 0.0000000), wk = 0.0020325 k( 68) = ( 0.4251578 0.4832974 0.0000000), wk = 0.0020325 k( 69) = ( 0.4139695 0.4837369 -0.0000000), wk = 0.0020325 k( 70) = ( 0.4027811 0.4841765 -0.0000000), wk = 0.0020325 k( 71) = ( 0.3915927 0.4846160 -0.0000000), wk = 0.0020325 k( 72) = ( 0.3804044 0.4850555 0.0000000), wk = 0.0020325 k( 73) = ( 0.3692160 0.4854951 0.0000000), wk = 0.0020325 k( 74) = ( 0.3580276 0.4859346 -0.0000000), wk = 0.0020325 k( 75) = ( 0.3468393 0.4863742 -0.0000000), wk = 0.0020325 k( 76) = ( 0.3356509 0.4868137 -0.0000000), wk = 0.0020325 k( 77) = ( 0.3244626 0.4872533 0.0000000), wk = 0.0020325 k( 78) = ( 0.3132742 0.4876928 -0.0000000), wk = 0.0020325 k( 79) = ( 0.3020858 0.4881323 -0.0000000), wk = 0.0020325 k( 80) = ( 0.2908975 0.4885719 -0.0000000), wk = 0.0020325 k( 81) = ( 0.2797091 0.4890114 0.0000000), wk = 0.0020325 k( 82) = ( 0.2685207 0.4894510 0.0000000), wk = 0.0020325 k( 83) = ( 0.2573324 0.4898905 0.0000000), wk = 0.0020325 k( 84) = ( 0.2461440 0.4903301 -0.0000000), wk = 0.0020325 k( 85) = ( 0.2349556 0.4907696 0.0000000), wk = 0.0020325 k( 86) = ( 0.2237673 0.4912091 0.0000000), wk = 0.0020325 k( 87) = ( 0.2125789 0.4916487 -0.0000000), wk = 0.0020325 k( 88) = ( 0.2013906 0.4920882 -0.0000000), wk = 0.0020325 k( 89) = ( 0.1902022 0.4925278 0.0000000), wk = 0.0020325 k( 90) = ( 0.1790138 0.4929673 0.0000000), wk = 0.0020325 k( 91) = ( 0.1678255 0.4934069 -0.0000000), wk = 0.0020325 k( 92) = ( 0.1566371 0.4938464 -0.0000000), wk = 0.0020325 k( 93) = ( 0.1454487 0.4942859 -0.0000000), wk = 0.0020325 k( 94) = ( 0.1342604 0.4947255 -0.0000000), wk = 0.0020325 k( 95) = ( 0.1230720 0.4951650 0.0000000), wk = 0.0020325 k( 96) = ( 0.1118836 0.4956046 -0.0000000), wk = 0.0020325 k( 97) = ( 0.1006953 0.4960441 0.0000000), wk = 0.0020325 k( 98) = ( 0.0895069 0.4964837 -0.0000000), wk = 0.0020325 k( 99) = ( 0.0783186 0.4969232 0.0000000), wk = 0.0020325 k( 100) = ( 0.0671302 0.4973627 0.0000000), wk = 0.0020325 k( 101) = ( 0.0559418 0.4978023 -0.0000000), wk = 0.0020325 k( 102) = ( 0.0447535 0.4982418 0.0000000), wk = 0.0020325 k( 103) = ( 0.0335651 0.4986814 -0.0000000), wk = 0.0020325 k( 104) = ( 0.0223767 0.4991209 -0.0000000), wk = 0.0020325 k( 105) = ( 0.0111884 0.4995605 0.0000000), wk = 0.0020325 k( 106) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020325 k( 107) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020325 k( 108) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0020325 k( 109) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0020325 k( 110) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0020325 k( 111) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0020325 k( 112) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0020325 k( 113) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0020325 k( 114) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0020325 k( 115) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0020325 k( 116) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020325 k( 117) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0020325 k( 118) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0020325 k( 119) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0020325 k( 120) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0020325 k( 121) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0020325 k( 122) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0020325 k( 123) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0020325 k( 124) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0020325 k( 125) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020325 k( 126) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0020325 k( 127) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0020325 k( 128) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0020325 k( 129) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0020325 k( 130) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0020325 k( 131) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0020325 k( 132) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0020325 k( 133) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0020325 k( 134) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020325 k( 135) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0020325 k( 136) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0020325 k( 137) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0020325 k( 138) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0020325 k( 139) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0020325 k( 140) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0020325 k( 141) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0020325 k( 142) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0020325 k( 143) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020325 k( 144) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020325 k( 145) = ( 0.0111884 0.4995605 0.5000000), wk = 0.0020325 k( 146) = ( 0.0223767 0.4991209 0.5000000), wk = 0.0020325 k( 147) = ( 0.0335651 0.4986814 0.5000000), wk = 0.0020325 k( 148) = ( 0.0447535 0.4982418 0.5000000), wk = 0.0020325 k( 149) = ( 0.0559418 0.4978023 0.5000000), wk = 0.0020325 k( 150) = ( 0.0671302 0.4973627 0.5000000), wk = 0.0020325 k( 151) = ( 0.0783186 0.4969232 0.5000000), wk = 0.0020325 k( 152) = ( 0.0895069 0.4964837 0.5000000), wk = 0.0020325 k( 153) = ( 0.1006953 0.4960441 0.5000000), wk = 0.0020325 k( 154) = ( 0.1118836 0.4956046 0.5000000), wk = 0.0020325 k( 155) = ( 0.1230720 0.4951650 0.5000000), wk = 0.0020325 k( 156) = ( 0.1342604 0.4947255 0.5000000), wk = 0.0020325 k( 157) = ( 0.1454487 0.4942859 0.5000000), wk = 0.0020325 k( 158) = ( 0.1566371 0.4938464 0.5000000), wk = 0.0020325 k( 159) = ( 0.1678255 0.4934069 0.5000000), wk = 0.0020325 k( 160) = ( 0.1790138 0.4929673 0.5000000), wk = 0.0020325 k( 161) = ( 0.1902022 0.4925278 0.5000000), wk = 0.0020325 k( 162) = ( 0.2013906 0.4920882 0.5000000), wk = 0.0020325 k( 163) = ( 0.2125789 0.4916487 0.5000000), wk = 0.0020325 k( 164) = ( 0.2237673 0.4912091 0.5000000), wk = 0.0020325 k( 165) = ( 0.2349556 0.4907696 0.5000000), wk = 0.0020325 k( 166) = ( 0.2461440 0.4903301 0.5000000), wk = 0.0020325 k( 167) = ( 0.2573324 0.4898905 0.5000000), wk = 0.0020325 k( 168) = ( 0.2685207 0.4894510 0.5000000), wk = 0.0020325 k( 169) = ( 0.2797091 0.4890114 0.5000000), wk = 0.0020325 k( 170) = ( 0.2908975 0.4885719 0.5000000), wk = 0.0020325 k( 171) = ( 0.3020858 0.4881323 0.5000000), wk = 0.0020325 k( 172) = ( 0.3132742 0.4876928 0.5000000), wk = 0.0020325 k( 173) = ( 0.3244626 0.4872533 0.5000000), wk = 0.0020325 k( 174) = ( 0.3356509 0.4868137 0.5000000), wk = 0.0020325 k( 175) = ( 0.3468393 0.4863742 0.5000000), wk = 0.0020325 k( 176) = ( 0.3580276 0.4859346 0.5000000), wk = 0.0020325 k( 177) = ( 0.3692160 0.4854951 0.5000000), wk = 0.0020325 k( 178) = ( 0.3804044 0.4850555 0.5000000), wk = 0.0020325 k( 179) = ( 0.3915927 0.4846160 0.5000000), wk = 0.0020325 k( 180) = ( 0.4027811 0.4841765 0.5000000), wk = 0.0020325 k( 181) = ( 0.4139695 0.4837369 0.5000000), wk = 0.0020325 k( 182) = ( 0.4251578 0.4832974 0.5000000), wk = 0.0020325 k( 183) = ( 0.4363462 0.4828578 0.5000000), wk = 0.0020325 k( 184) = ( 0.4475346 0.4824183 0.5000000), wk = 0.0020325 k( 185) = ( 0.4587229 0.4819787 0.5000000), wk = 0.0020325 k( 186) = ( 0.4699113 0.4815392 0.5000000), wk = 0.0020325 k( 187) = ( 0.4810997 0.4810997 0.5000000), wk = 0.0020325 k( 188) = ( 0.4810997 0.4810997 0.5000000), wk = 0.0020325 k( 189) = ( 0.4732128 0.4732128 0.5000000), wk = 0.0020325 k( 190) = ( 0.4653259 0.4653259 0.5000000), wk = 0.0020325 k( 191) = ( 0.4574390 0.4574390 0.5000000), wk = 0.0020325 k( 192) = ( 0.4495521 0.4495521 0.5000000), wk = 0.0020325 k( 193) = ( 0.4416653 0.4416653 0.5000000), wk = 0.0020325 k( 194) = ( 0.4337784 0.4337784 0.5000000), wk = 0.0020325 k( 195) = ( 0.4258915 0.4258915 0.5000000), wk = 0.0020325 k( 196) = ( 0.4180046 0.4180046 0.5000000), wk = 0.0020325 k( 197) = ( 0.4101177 0.4101177 0.5000000), wk = 0.0020325 k( 198) = ( 0.4022309 0.4022309 0.5000000), wk = 0.0020325 k( 199) = ( 0.3943440 0.3943440 0.5000000), wk = 0.0020325 k( 200) = ( 0.3864571 0.3864571 0.5000000), wk = 0.0020325 k( 201) = ( 0.3785702 0.3785702 0.5000000), wk = 0.0020325 k( 202) = ( 0.3706833 0.3706833 0.5000000), wk = 0.0020325 k( 203) = ( 0.3627965 0.3627965 0.5000000), wk = 0.0020325 k( 204) = ( 0.3549096 0.3549096 0.5000000), wk = 0.0020325 k( 205) = ( 0.3470227 0.3470227 0.5000000), wk = 0.0020325 k( 206) = ( 0.3391358 0.3391358 0.5000000), wk = 0.0020325 k( 207) = ( 0.3312489 0.3312489 0.5000000), wk = 0.0020325 k( 208) = ( 0.3233621 0.3233621 0.5000000), wk = 0.0020325 k( 209) = ( 0.3154752 0.3154752 0.5000000), wk = 0.0020325 k( 210) = ( 0.3075883 0.3075883 0.5000000), wk = 0.0020325 k( 211) = ( 0.2997014 0.2997014 0.5000000), wk = 0.0020325 k( 212) = ( 0.2918146 0.2918146 0.5000000), wk = 0.0020325 k( 213) = ( 0.2839277 0.2839277 0.5000000), wk = 0.0020325 k( 214) = ( 0.2760408 0.2760408 0.5000000), wk = 0.0020325 k( 215) = ( 0.2681539 0.2681539 0.5000000), wk = 0.0020325 k( 216) = ( 0.2602670 0.2602670 0.5000000), wk = 0.0020325 k( 217) = ( 0.2523802 0.2523802 0.5000000), wk = 0.0020325 k( 218) = ( 0.2444933 0.2444933 0.5000000), wk = 0.0020325 k( 219) = ( 0.2366064 0.2366064 0.5000000), wk = 0.0020325 k( 220) = ( 0.2287195 0.2287195 0.5000000), wk = 0.0020325 k( 221) = ( 0.2208326 0.2208326 0.5000000), wk = 0.0020325 k( 222) = ( 0.2129457 0.2129457 0.5000000), wk = 0.0020325 k( 223) = ( 0.2050589 0.2050589 0.5000000), wk = 0.0020325 k( 224) = ( 0.1971720 0.1971720 0.5000000), wk = 0.0020325 k( 225) = ( 0.1892851 0.1892851 0.5000000), wk = 0.0020325 k( 226) = ( 0.1813982 0.1813982 0.5000000), wk = 0.0020325 k( 227) = ( 0.1735114 0.1735114 0.5000000), wk = 0.0020325 k( 228) = ( 0.1656245 0.1656245 0.5000000), wk = 0.0020325 k( 229) = ( 0.1577376 0.1577376 0.5000000), wk = 0.0020325 k( 230) = ( 0.1498507 0.1498507 0.5000000), wk = 0.0020325 k( 231) = ( 0.1419638 0.1419638 0.5000000), wk = 0.0020325 k( 232) = ( 0.1340770 0.1340769 0.5000000), wk = 0.0020325 k( 233) = ( 0.1261901 0.1261901 0.5000000), wk = 0.0020325 k( 234) = ( 0.1183032 0.1183032 0.5000000), wk = 0.0020325 k( 235) = ( 0.1104163 0.1104163 0.5000000), wk = 0.0020325 k( 236) = ( 0.1025294 0.1025294 0.5000000), wk = 0.0020325 k( 237) = ( 0.0946426 0.0946426 0.5000000), wk = 0.0020325 k( 238) = ( 0.0867557 0.0867557 0.5000000), wk = 0.0020325 k( 239) = ( 0.0788688 0.0788688 0.5000000), wk = 0.0020325 k( 240) = ( 0.0709819 0.0709819 0.5000000), wk = 0.0020325 k( 241) = ( 0.0630950 0.0630950 0.5000000), wk = 0.0020325 k( 242) = ( 0.0552082 0.0552082 0.5000000), wk = 0.0020325 k( 243) = ( 0.0473213 0.0473213 0.5000000), wk = 0.0020325 k( 244) = ( 0.0394344 0.0394344 0.5000000), wk = 0.0020325 k( 245) = ( 0.0315475 0.0315475 0.5000000), wk = 0.0020325 k( 246) = ( 0.0236606 0.0236606 0.5000000), wk = 0.0020325 k( 247) = ( 0.0157738 0.0157738 0.5000000), wk = 0.0020325 k( 248) = ( 0.0078869 0.0078869 0.5000000), wk = 0.0020325 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020325 k( 250) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020325 k( 251) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0020325 k( 252) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020325 k( 253) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020325 k( 254) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020325 k( 255) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0020325 k( 256) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020325 k( 257) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0020325 k( 258) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020325 k( 259) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020325 k( 260) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020325 k( 261) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0020325 k( 262) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020325 k( 263) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0020325 k( 264) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020325 k( 265) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020325 k( 266) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020325 k( 267) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0020325 k( 268) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020325 k( 269) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0020325 k( 270) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020325 k( 271) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020325 k( 272) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020325 k( 273) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0020325 k( 274) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020325 k( 275) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0020325 k( 276) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020325 k( 277) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020325 k( 278) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020325 k( 279) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0020325 k( 280) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020325 k( 281) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0020325 k( 282) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020325 k( 283) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020325 k( 284) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020325 k( 285) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0020325 k( 286) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 288) = ( -0.0081967 0.0081967 -0.0000000), wk = 0.0020325 k( 289) = ( -0.0163934 0.0163934 -0.0000000), wk = 0.0020325 k( 290) = ( -0.0245902 0.0245902 -0.0000000), wk = 0.0020325 k( 291) = ( -0.0327869 0.0327869 -0.0000000), wk = 0.0020325 k( 292) = ( -0.0409836 0.0409836 -0.0000000), wk = 0.0020325 k( 293) = ( -0.0491803 0.0491803 -0.0000000), wk = 0.0020325 k( 294) = ( -0.0573770 0.0573770 0.0000000), wk = 0.0020325 k( 295) = ( -0.0655738 0.0655738 -0.0000000), wk = 0.0020325 k( 296) = ( -0.0737705 0.0737705 -0.0000000), wk = 0.0020325 k( 297) = ( -0.0819672 0.0819672 -0.0000000), wk = 0.0020325 k( 298) = ( -0.0901639 0.0901639 0.0000000), wk = 0.0020325 k( 299) = ( -0.0983607 0.0983607 -0.0000000), wk = 0.0020325 k( 300) = ( -0.1065574 0.1065574 -0.0000000), wk = 0.0020325 k( 301) = ( -0.1147541 0.1147541 0.0000000), wk = 0.0020325 k( 302) = ( -0.1229508 0.1229508 0.0000000), wk = 0.0020325 k( 303) = ( -0.1311475 0.1311475 -0.0000000), wk = 0.0020325 k( 304) = ( -0.1393443 0.1393443 0.0000000), wk = 0.0020325 k( 305) = ( -0.1475410 0.1475410 -0.0000000), wk = 0.0020325 k( 306) = ( -0.1557377 0.1557377 0.0000000), wk = 0.0020325 k( 307) = ( -0.1639344 0.1639344 0.0000000), wk = 0.0020325 k( 308) = ( -0.1721312 0.1721312 -0.0000000), wk = 0.0020325 k( 309) = ( -0.1803279 0.1803279 -0.0000000), wk = 0.0020325 k( 310) = ( -0.1885246 0.1885246 0.0000000), wk = 0.0020325 k( 311) = ( -0.1967213 0.1967213 -0.0000000), wk = 0.0020325 k( 312) = ( -0.2049180 0.2049180 0.0000000), wk = 0.0020325 k( 313) = ( -0.2131147 0.2131147 0.0000000), wk = 0.0020325 k( 314) = ( -0.2213115 0.2213115 0.0000000), wk = 0.0020325 k( 315) = ( -0.2295082 0.2295082 0.0000000), wk = 0.0020325 k( 316) = ( -0.2377049 0.2377049 0.0000000), wk = 0.0020325 k( 317) = ( -0.2459016 0.2459016 0.0000000), wk = 0.0020325 k( 318) = ( -0.2540984 0.2540984 -0.0000000), wk = 0.0020325 k( 319) = ( -0.2622951 0.2622951 -0.0000000), wk = 0.0020325 k( 320) = ( -0.2704918 0.2704918 0.0000000), wk = 0.0020325 k( 321) = ( -0.2786885 0.2786885 0.0000000), wk = 0.0020325 k( 322) = ( -0.2868852 0.2868852 -0.0000000), wk = 0.0020325 k( 323) = ( -0.2950820 0.2950820 -0.0000000), wk = 0.0020325 k( 324) = ( -0.3032787 0.3032787 -0.0000000), wk = 0.0020325 k( 325) = ( -0.3114754 0.3114754 -0.0000000), wk = 0.0020325 k( 326) = ( -0.3196721 0.3196721 -0.0000000), wk = 0.0020325 k( 327) = ( -0.3278688 0.3278688 0.0000000), wk = 0.0020325 k( 328) = ( -0.3360656 0.3360656 0.0000000), wk = 0.0020325 k( 329) = ( -0.3442623 0.3442623 -0.0000000), wk = 0.0020325 k( 330) = ( -0.3524590 0.3524590 -0.0000000), wk = 0.0020325 k( 331) = ( -0.3606557 0.3606557 -0.0000000), wk = 0.0020325 k( 332) = ( -0.3688525 0.3688525 0.0000000), wk = 0.0020325 k( 333) = ( -0.3770492 0.3770492 0.0000000), wk = 0.0020325 k( 334) = ( -0.3852459 0.3852459 -0.0000000), wk = 0.0020325 k( 335) = ( -0.3934426 0.3934426 -0.0000000), wk = 0.0020325 k( 336) = ( -0.4016393 0.4016393 -0.0000000), wk = 0.0020325 k( 337) = ( -0.4098361 0.4098361 -0.0000000), wk = 0.0020325 k( 338) = ( -0.4180328 0.4180328 -0.0000000), wk = 0.0020325 k( 339) = ( -0.4262295 0.4262295 -0.0000000), wk = 0.0020325 k( 340) = ( -0.4344262 0.4344262 -0.0000000), wk = 0.0020325 k( 341) = ( -0.4426230 0.4426230 -0.0000000), wk = 0.0020325 k( 342) = ( -0.4508197 0.4508197 -0.0000000), wk = 0.0020325 k( 343) = ( -0.4590164 0.4590164 0.0000000), wk = 0.0020325 k( 344) = ( -0.4672131 0.4672131 -0.0000000), wk = 0.0020325 k( 345) = ( -0.4754098 0.4754098 0.0000000), wk = 0.0020325 k( 346) = ( -0.4836066 0.4836066 -0.0000000), wk = 0.0020325 k( 347) = ( -0.4918033 0.4918033 0.0000000), wk = 0.0020325 k( 348) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020325 k( 349) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020325 k( 350) = ( -0.4936999 0.5063001 -0.0000000), wk = 0.0020325 k( 351) = ( -0.4873998 0.5126002 0.0000000), wk = 0.0020325 k( 352) = ( -0.4810997 0.5189003 -0.0000000), wk = 0.0020325 k( 353) = ( -0.4810997 0.5189003 -0.0000000), wk = 0.0020325 k( 354) = ( -0.4810997 0.5189003 0.0138889), wk = 0.0020325 k( 355) = ( -0.4810997 0.5189003 0.0277778), wk = 0.0020325 k( 356) = ( -0.4810997 0.5189003 0.0416667), wk = 0.0020325 k( 357) = ( -0.4810997 0.5189003 0.0555556), wk = 0.0020325 k( 358) = ( -0.4810997 0.5189003 0.0694444), wk = 0.0020325 k( 359) = ( -0.4810997 0.5189003 0.0833333), wk = 0.0020325 k( 360) = ( -0.4810997 0.5189003 0.0972222), wk = 0.0020325 k( 361) = ( -0.4810997 0.5189003 0.1111111), wk = 0.0020325 k( 362) = ( -0.4810997 0.5189003 0.1250000), wk = 0.0020325 k( 363) = ( -0.4810997 0.5189003 0.1388889), wk = 0.0020325 k( 364) = ( -0.4810997 0.5189003 0.1527778), wk = 0.0020325 k( 365) = ( -0.4810997 0.5189003 0.1666667), wk = 0.0020325 k( 366) = ( -0.4810997 0.5189003 0.1805556), wk = 0.0020325 k( 367) = ( -0.4810997 0.5189003 0.1944444), wk = 0.0020325 k( 368) = ( -0.4810997 0.5189003 0.2083333), wk = 0.0020325 k( 369) = ( -0.4810997 0.5189003 0.2222222), wk = 0.0020325 k( 370) = ( -0.4810997 0.5189003 0.2361111), wk = 0.0020325 k( 371) = ( -0.4810997 0.5189003 0.2500000), wk = 0.0020325 k( 372) = ( -0.4810997 0.5189003 0.2638889), wk = 0.0020325 k( 373) = ( -0.4810997 0.5189003 0.2777778), wk = 0.0020325 k( 374) = ( -0.4810997 0.5189003 0.2916667), wk = 0.0020325 k( 375) = ( -0.4810997 0.5189003 0.3055556), wk = 0.0020325 k( 376) = ( -0.4810997 0.5189003 0.3194444), wk = 0.0020325 k( 377) = ( -0.4810997 0.5189003 0.3333333), wk = 0.0020325 k( 378) = ( -0.4810997 0.5189003 0.3472222), wk = 0.0020325 k( 379) = ( -0.4810997 0.5189003 0.3611111), wk = 0.0020325 k( 380) = ( -0.4810997 0.5189003 0.3750000), wk = 0.0020325 k( 381) = ( -0.4810997 0.5189003 0.3888889), wk = 0.0020325 k( 382) = ( -0.4810997 0.5189003 0.4027778), wk = 0.0020325 k( 383) = ( -0.4810997 0.5189003 0.4166667), wk = 0.0020325 k( 384) = ( -0.4810997 0.5189003 0.4305556), wk = 0.0020325 k( 385) = ( -0.4810997 0.5189003 0.4444444), wk = 0.0020325 k( 386) = ( -0.4810997 0.5189003 0.4583333), wk = 0.0020325 k( 387) = ( -0.4810997 0.5189003 0.4722222), wk = 0.0020325 k( 388) = ( -0.4810997 0.5189003 0.4861111), wk = 0.0020325 k( 389) = ( -0.4810997 0.5189003 0.5000000), wk = 0.0020325 k( 390) = ( -0.4810997 0.5189003 0.5000000), wk = 0.0020325 k( 391) = ( -0.4873998 0.5126002 0.5000000), wk = 0.0020325 k( 392) = ( -0.4936999 0.5063001 0.5000000), wk = 0.0020325 k( 393) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020325 k( 394) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020325 k( 395) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0020325 k( 396) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0020325 k( 397) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0020325 k( 398) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0020325 k( 399) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0020325 k( 400) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0020325 k( 401) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0020325 k( 402) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0020325 k( 403) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0020325 k( 404) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0020325 k( 405) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0020325 k( 406) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0020325 k( 407) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0020325 k( 408) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0020325 k( 409) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0020325 k( 410) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0020325 k( 411) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0020325 k( 412) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020325 k( 413) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0020325 k( 414) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0020325 k( 415) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0020325 k( 416) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0020325 k( 417) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0020325 k( 418) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0020325 k( 419) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0020325 k( 420) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0020325 k( 421) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0020325 k( 422) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0020325 k( 423) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0020325 k( 424) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0020325 k( 425) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0020325 k( 426) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0020325 k( 427) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0020325 k( 428) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0020325 k( 429) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0020325 k( 430) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020325 k( 431) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020325 k( 432) = ( -0.0081967 0.0081967 0.5000000), wk = 0.0020325 k( 433) = ( -0.0163934 0.0163934 0.5000000), wk = 0.0020325 k( 434) = ( -0.0245902 0.0245902 0.5000000), wk = 0.0020325 k( 435) = ( -0.0327869 0.0327869 0.5000000), wk = 0.0020325 k( 436) = ( -0.0409836 0.0409836 0.5000000), wk = 0.0020325 k( 437) = ( -0.0491803 0.0491803 0.5000000), wk = 0.0020325 k( 438) = ( -0.0573770 0.0573770 0.5000000), wk = 0.0020325 k( 439) = ( -0.0655738 0.0655738 0.5000000), wk = 0.0020325 k( 440) = ( -0.0737705 0.0737705 0.5000000), wk = 0.0020325 k( 441) = ( -0.0819672 0.0819672 0.5000000), wk = 0.0020325 k( 442) = ( -0.0901639 0.0901639 0.5000000), wk = 0.0020325 k( 443) = ( -0.0983607 0.0983607 0.5000000), wk = 0.0020325 k( 444) = ( -0.1065574 0.1065574 0.5000000), wk = 0.0020325 k( 445) = ( -0.1147541 0.1147541 0.5000000), wk = 0.0020325 k( 446) = ( -0.1229508 0.1229508 0.5000000), wk = 0.0020325 k( 447) = ( -0.1311475 0.1311475 0.5000000), wk = 0.0020325 k( 448) = ( -0.1393443 0.1393443 0.5000000), wk = 0.0020325 k( 449) = ( -0.1475410 0.1475410 0.5000000), wk = 0.0020325 k( 450) = ( -0.1557377 0.1557377 0.5000000), wk = 0.0020325 k( 451) = ( -0.1639344 0.1639344 0.5000000), wk = 0.0020325 k( 452) = ( -0.1721312 0.1721312 0.5000000), wk = 0.0020325 k( 453) = ( -0.1803279 0.1803279 0.5000000), wk = 0.0020325 k( 454) = ( -0.1885246 0.1885246 0.5000000), wk = 0.0020325 k( 455) = ( -0.1967213 0.1967213 0.5000000), wk = 0.0020325 k( 456) = ( -0.2049180 0.2049180 0.5000000), wk = 0.0020325 k( 457) = ( -0.2131147 0.2131147 0.5000000), wk = 0.0020325 k( 458) = ( -0.2213115 0.2213115 0.5000000), wk = 0.0020325 k( 459) = ( -0.2295082 0.2295082 0.5000000), wk = 0.0020325 k( 460) = ( -0.2377049 0.2377049 0.5000000), wk = 0.0020325 k( 461) = ( -0.2459016 0.2459016 0.5000000), wk = 0.0020325 k( 462) = ( -0.2540984 0.2540984 0.5000000), wk = 0.0020325 k( 463) = ( -0.2622951 0.2622951 0.5000000), wk = 0.0020325 k( 464) = ( -0.2704918 0.2704918 0.5000000), wk = 0.0020325 k( 465) = ( -0.2786885 0.2786885 0.5000000), wk = 0.0020325 k( 466) = ( -0.2868852 0.2868852 0.5000000), wk = 0.0020325 k( 467) = ( -0.2950820 0.2950820 0.5000000), wk = 0.0020325 k( 468) = ( -0.3032787 0.3032787 0.5000000), wk = 0.0020325 k( 469) = ( -0.3114754 0.3114754 0.5000000), wk = 0.0020325 k( 470) = ( -0.3196721 0.3196721 0.5000000), wk = 0.0020325 k( 471) = ( -0.3278688 0.3278688 0.5000000), wk = 0.0020325 k( 472) = ( -0.3360656 0.3360656 0.5000000), wk = 0.0020325 k( 473) = ( -0.3442623 0.3442623 0.5000000), wk = 0.0020325 k( 474) = ( -0.3524590 0.3524590 0.5000000), wk = 0.0020325 k( 475) = ( -0.3606557 0.3606557 0.5000000), wk = 0.0020325 k( 476) = ( -0.3688525 0.3688525 0.5000000), wk = 0.0020325 k( 477) = ( -0.3770492 0.3770492 0.5000000), wk = 0.0020325 k( 478) = ( -0.3852459 0.3852459 0.5000000), wk = 0.0020325 k( 479) = ( -0.3934426 0.3934426 0.5000000), wk = 0.0020325 k( 480) = ( -0.4016393 0.4016393 0.5000000), wk = 0.0020325 k( 481) = ( -0.4098361 0.4098361 0.5000000), wk = 0.0020325 k( 482) = ( -0.4180328 0.4180328 0.5000000), wk = 0.0020325 k( 483) = ( -0.4262295 0.4262295 0.5000000), wk = 0.0020325 k( 484) = ( -0.4344262 0.4344262 0.5000000), wk = 0.0020325 k( 485) = ( -0.4426230 0.4426230 0.5000000), wk = 0.0020325 k( 486) = ( -0.4508197 0.4508197 0.5000000), wk = 0.0020325 k( 487) = ( -0.4590164 0.4590164 0.5000000), wk = 0.0020325 k( 488) = ( -0.4672131 0.4672131 0.5000000), wk = 0.0020325 k( 489) = ( -0.4754098 0.4754098 0.5000000), wk = 0.0020325 k( 490) = ( -0.4836066 0.4836066 0.5000000), wk = 0.0020325 k( 491) = ( -0.4918033 0.4918033 0.5000000), wk = 0.0020325 k( 492) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020325 Dense grid: 37825 G-vectors FFT dimensions: ( 40, 40, 48) Smooth grid: 13473 G-vectors FFT dimensions: ( 27, 27, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 98, 40) NL pseudopotentials 0.08 Mb ( 49, 112) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1050) G-vector shells 0.00 Mb ( 511) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 98, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.6 secs Computing kpt #: 19 total cpu time spent up to now is 4.7 secs Computing kpt #: 20 total cpu time spent up to now is 4.9 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.3 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.6 secs Computing kpt #: 26 total cpu time spent up to now is 5.7 secs Computing kpt #: 27 total cpu time spent up to now is 5.9 secs Computing kpt #: 28 total cpu time spent up to now is 6.0 secs Computing kpt #: 29 total cpu time spent up to now is 6.2 secs Computing kpt #: 30 total cpu time spent up to now is 6.3 secs Computing kpt #: 31 total cpu time spent up to now is 6.4 secs Computing kpt #: 32 total cpu time spent up to now is 6.6 secs Computing kpt #: 33 total cpu time spent up to now is 6.7 secs Computing kpt #: 34 total cpu time spent up to now is 6.9 secs Computing kpt #: 35 total cpu time spent up to now is 7.0 secs Computing kpt #: 36 total cpu time spent up to now is 7.2 secs Computing kpt #: 37 total cpu time spent up to now is 7.3 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.6 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.5 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up to now is 8.8 secs Computing kpt #: 48 total cpu time spent up to now is 8.9 secs Computing kpt #: 49 total cpu time spent up to now is 9.1 secs Computing kpt #: 50 total cpu time spent up to now is 9.2 secs Computing kpt #: 51 total cpu time spent up to now is 9.4 secs Computing kpt #: 52 total cpu time spent up to now is 9.5 secs Computing kpt #: 53 total cpu time spent up to now is 9.7 secs Computing kpt #: 54 total cpu time spent up to now is 9.8 secs Computing kpt #: 55 total cpu time spent up to now is 10.0 secs Computing kpt #: 56 total cpu time spent up to now is 10.1 secs Computing kpt #: 57 total cpu time spent up to now is 10.3 secs Computing kpt #: 58 total cpu time spent up to now is 10.4 secs Computing kpt #: 59 total cpu time spent up to now is 10.6 secs Computing kpt #: 60 total cpu time spent up to now is 10.8 secs Computing kpt #: 61 total cpu time spent up to now is 10.9 secs Computing kpt #: 62 total cpu time spent up to now is 11.1 secs Computing kpt #: 63 total cpu time spent up to now is 11.2 secs Computing kpt #: 64 total cpu time spent up to now is 11.4 secs Computing kpt #: 65 total cpu time spent up to now is 11.5 secs Computing kpt #: 66 total cpu time spent up to now is 11.7 secs Computing kpt #: 67 total cpu time spent up to now is 11.9 secs Computing kpt #: 68 total cpu time spent up to now is 12.0 secs Computing kpt #: 69 total cpu time spent up to now is 12.2 secs Computing kpt #: 70 total cpu time spent up to now is 12.4 secs Computing kpt #: 71 total cpu time spent up to now is 12.5 secs Computing kpt #: 72 total cpu time spent up to now is 12.7 secs Computing kpt #: 73 total cpu time spent up to now is 12.8 secs Computing kpt #: 74 total cpu time spent up to now is 13.0 secs Computing kpt #: 75 total cpu time spent up to now is 13.2 secs Computing kpt #: 76 total cpu time spent up to now is 13.3 secs Computing kpt #: 77 total cpu time spent up to now is 13.5 secs Computing kpt #: 78 total cpu time spent up to now is 13.6 secs Computing kpt #: 79 total cpu time spent up to now is 13.8 secs Computing kpt #: 80 total cpu time spent up to now is 14.0 secs Computing kpt #: 81 total cpu time spent up to now is 14.1 secs Computing kpt #: 82 total cpu time spent up to now is 14.3 secs Computing kpt #: 83 total cpu time spent up to now is 14.4 secs Computing kpt #: 84 total cpu time spent up to now is 14.6 secs Computing kpt #: 85 total cpu time spent up to now is 14.8 secs Computing kpt #: 86 total cpu time spent up to now is 14.9 secs Computing kpt #: 87 total cpu time spent up to now is 15.1 secs Computing kpt #: 88 total cpu time spent up to now is 15.3 secs Computing kpt #: 89 total cpu time spent up to now is 15.5 secs Computing kpt #: 90 total cpu time spent up to now is 15.6 secs Computing kpt #: 91 total cpu time spent up to now is 15.8 secs Computing kpt #: 92 total cpu time spent up to now is 16.0 secs Computing kpt #: 93 total cpu time spent up to now is 16.2 secs Computing kpt #: 94 total cpu time spent up to now is 16.4 secs Computing kpt #: 95 total cpu time spent up to now is 16.6 secs Computing kpt #: 96 total cpu time spent up to now is 16.8 secs Computing kpt #: 97 total cpu time spent up to now is 16.9 secs Computing kpt #: 98 total cpu time spent up to now is 17.1 secs Computing kpt #: 99 total cpu time spent up to now is 17.3 secs Computing kpt #: 100 total cpu time spent up to now is 17.5 secs Computing kpt #: 101 total cpu time spent up to now is 17.7 secs Computing kpt #: 102 total cpu time spent up to now is 17.9 secs Computing kpt #: 103 total cpu time spent up to now is 18.0 secs Computing kpt #: 104 total cpu time spent up to now is 18.2 secs Computing kpt #: 105 total cpu time spent up to now is 18.4 secs Computing kpt #: 106 total cpu time spent up to now is 18.5 secs Computing kpt #: 107 total cpu time spent up to now is 18.7 secs Computing kpt #: 108 total cpu time spent up to now is 18.9 secs Computing kpt #: 109 total cpu time spent up to now is 19.1 secs Computing kpt #: 110 total cpu time spent up to now is 19.2 secs Computing kpt #: 111 total cpu time spent up to now is 19.4 secs Computing kpt #: 112 total cpu time spent up to now is 19.6 secs Computing kpt #: 113 total cpu time spent up to now is 19.8 secs Computing kpt #: 114 total cpu time spent up to now is 19.9 secs Computing kpt #: 115 total cpu time spent up to now is 20.1 secs Computing kpt #: 116 total cpu time spent up to now is 20.3 secs Computing kpt #: 117 total cpu time spent up to now is 20.5 secs Computing kpt #: 118 total cpu time spent up to now is 20.7 secs Computing kpt #: 119 total cpu time spent up to now is 20.8 secs Computing kpt #: 120 total cpu time spent up to now is 21.0 secs Computing kpt #: 121 total cpu time spent up to now is 21.2 secs Computing kpt #: 122 total cpu time spent up to now is 21.4 secs Computing kpt #: 123 total cpu time spent up to now is 21.6 secs Computing kpt #: 124 total cpu time spent up to now is 21.8 secs Computing kpt #: 125 total cpu time spent up to now is 22.0 secs Computing kpt #: 126 total cpu time spent up to now is 22.2 secs Computing kpt #: 127 total cpu time spent up to now is 22.3 secs Computing kpt #: 128 total cpu time spent up to now is 22.5 secs Computing kpt #: 129 total cpu time spent up to now is 22.7 secs Computing kpt #: 130 total cpu time spent up to now is 22.9 secs Computing kpt #: 131 total cpu time spent up to now is 23.1 secs Computing kpt #: 132 total cpu time spent up to now is 23.3 secs Computing kpt #: 133 total cpu time spent up to now is 23.5 secs Computing kpt #: 134 total cpu time spent up to now is 23.7 secs Computing kpt #: 135 total cpu time spent up to now is 23.9 secs Computing kpt #: 136 total cpu time spent up to now is 24.1 secs Computing kpt #: 137 total cpu time spent up to now is 24.3 secs Computing kpt #: 138 total cpu time spent up to now is 24.5 secs Computing kpt #: 139 total cpu time spent up to now is 24.7 secs Computing kpt #: 140 total cpu time spent up to now is 24.9 secs Computing kpt #: 141 total cpu time spent up to now is 25.0 secs Computing kpt #: 142 total cpu time spent up to now is 25.2 secs Computing kpt #: 143 total cpu time spent up to now is 25.4 secs Computing kpt #: 144 total cpu time spent up to now is 25.6 secs Computing kpt #: 145 total cpu time spent up to now is 25.8 secs Computing kpt #: 146 total cpu time spent up to now is 25.9 secs Computing kpt #: 147 total cpu time spent up to now is 26.1 secs Computing kpt #: 148 total cpu time spent up to now is 26.3 secs Computing kpt #: 149 total cpu time spent up to now is 26.5 secs Computing kpt #: 150 total cpu time spent up to now is 26.7 secs Computing kpt #: 151 total cpu time spent up to now is 26.9 secs Computing kpt #: 152 total cpu time spent up to now is 27.1 secs Computing kpt #: 153 total cpu time spent up to now is 27.3 secs Computing kpt #: 154 total cpu time spent up to now is 27.5 secs Computing kpt #: 155 total cpu time spent up to now is 27.7 secs Computing kpt #: 156 total cpu time spent up to now is 28.0 secs Computing kpt #: 157 total cpu time spent up to now is 28.2 secs Computing kpt #: 158 total cpu time spent up to now is 28.4 secs Computing kpt #: 159 total cpu time spent up to now is 28.6 secs Computing kpt #: 160 total cpu time spent up to now is 28.8 secs Computing kpt #: 161 total cpu time spent up to now is 29.0 secs Computing kpt #: 162 total cpu time spent up to now is 29.3 secs Computing kpt #: 163 total cpu time spent up to now is 29.5 secs Computing kpt #: 164 total cpu time spent up to now is 29.7 secs Computing kpt #: 165 total cpu time spent up to now is 29.9 secs Computing kpt #: 166 total cpu time spent up to now is 30.1 secs Computing kpt #: 167 total cpu time spent up to now is 30.3 secs Computing kpt #: 168 total cpu time spent up to now is 30.5 secs Computing kpt #: 169 total cpu time spent up to now is 30.8 secs Computing kpt #: 170 total cpu time spent up to now is 31.0 secs Computing kpt #: 171 total cpu time spent up to now is 31.2 secs Computing kpt #: 172 total cpu time spent up to now is 31.4 secs Computing kpt #: 173 total cpu time spent up to now is 31.6 secs Computing kpt #: 174 total cpu time spent up to now is 31.8 secs Computing kpt #: 175 total cpu time spent up to now is 32.1 secs Computing kpt #: 176 total cpu time spent up to now is 32.4 secs Computing kpt #: 177 total cpu time spent up to now is 32.6 secs Computing kpt #: 178 total cpu time spent up to now is 32.8 secs Computing kpt #: 179 total cpu time spent up to now is 33.0 secs Computing kpt #: 180 total cpu time spent up to now is 33.2 secs Computing kpt #: 181 total cpu time spent up to now is 33.4 secs Computing kpt #: 182 total cpu time spent up to now is 33.6 secs Computing kpt #: 183 total cpu time spent up to now is 33.7 secs Computing kpt #: 184 total cpu time spent up to now is 33.9 secs Computing kpt #: 185 total cpu time spent up to now is 34.0 secs Computing kpt #: 186 total cpu time spent up to now is 34.2 secs Computing kpt #: 187 total cpu time spent up to now is 34.4 secs Computing kpt #: 188 total cpu time spent up to now is 34.6 secs Computing kpt #: 189 total cpu time spent up to now is 34.7 secs Computing kpt #: 190 total cpu time spent up to now is 34.9 secs Computing kpt #: 191 total cpu time spent up to now is 35.0 secs Computing kpt #: 192 total cpu time spent up to now is 35.2 secs Computing kpt #: 193 total cpu time spent up to now is 35.4 secs Computing kpt #: 194 total cpu time spent up to now is 35.6 secs Computing kpt #: 195 total cpu time spent up to now is 35.8 secs Computing kpt #: 196 total cpu time spent up to now is 36.0 secs Computing kpt #: 197 total cpu time spent up to now is 36.2 secs Computing kpt #: 198 total cpu time spent up to now is 36.4 secs Computing kpt #: 199 total cpu time spent up to now is 36.6 secs Computing kpt #: 200 total cpu time spent up to now is 36.9 secs Computing kpt #: 201 total cpu time spent up to now is 37.1 secs Computing kpt #: 202 total cpu time spent up to now is 37.3 secs Computing kpt #: 203 total cpu time spent up to now is 37.5 secs Computing kpt #: 204 total cpu time spent up to now is 37.7 secs Computing kpt #: 205 total cpu time spent up to now is 37.9 secs Computing kpt #: 206 total cpu time spent up to now is 38.1 secs Computing kpt #: 207 total cpu time spent up to now is 38.3 secs Computing kpt #: 208 total cpu time spent up to now is 38.6 secs Computing kpt #: 209 total cpu time spent up to now is 38.8 secs Computing kpt #: 210 total cpu time spent up to now is 39.0 secs Computing kpt #: 211 total cpu time spent up to now is 39.2 secs Computing kpt #: 212 total cpu time spent up to now is 39.4 secs Computing kpt #: 213 total cpu time spent up to now is 39.6 secs Computing kpt #: 214 total cpu time spent up to now is 39.9 secs Computing kpt #: 215 total cpu time spent up to now is 40.1 secs Computing kpt #: 216 total cpu time spent up to now is 40.3 secs Computing kpt #: 217 total cpu time spent up to now is 40.5 secs Computing kpt #: 218 total cpu time spent up to now is 40.7 secs Computing kpt #: 219 total cpu time spent up to now is 40.9 secs Computing kpt #: 220 total cpu time spent up to now is 41.1 secs Computing kpt #: 221 total cpu time spent up to now is 41.3 secs Computing kpt #: 222 total cpu time spent up to now is 41.6 secs Computing kpt #: 223 total cpu time spent up to now is 41.8 secs Computing kpt #: 224 total cpu time spent up to now is 42.0 secs Computing kpt #: 225 total cpu time spent up to now is 42.2 secs Computing kpt #: 226 total cpu time spent up to now is 42.4 secs Computing kpt #: 227 total cpu time spent up to now is 42.6 secs Computing kpt #: 228 total cpu time spent up to now is 42.8 secs Computing kpt #: 229 total cpu time spent up to now is 43.0 secs Computing kpt #: 230 total cpu time spent up to now is 43.2 secs Computing kpt #: 231 total cpu time spent up to now is 43.3 secs Computing kpt #: 232 total cpu time spent up to now is 43.5 secs Computing kpt #: 233 total cpu time spent up to now is 43.7 secs Computing kpt #: 234 total cpu time spent up to now is 43.9 secs Computing kpt #: 235 total cpu time spent up to now is 44.0 secs Computing kpt #: 236 total cpu time spent up to now is 44.2 secs Computing kpt #: 237 total cpu time spent up to now is 44.3 secs Computing kpt #: 238 total cpu time spent up to now is 44.5 secs Computing kpt #: 239 total cpu time spent up to now is 44.7 secs Computing kpt #: 240 total cpu time spent up to now is 44.8 secs Computing kpt #: 241 total cpu time spent up to now is 45.0 secs Computing kpt #: 242 total cpu time spent up to now is 45.1 secs Computing kpt #: 243 total cpu time spent up to now is 45.3 secs Computing kpt #: 244 total cpu time spent up to now is 45.4 secs Computing kpt #: 245 total cpu time spent up to now is 45.6 secs Computing kpt #: 246 total cpu time spent up to now is 45.7 secs Computing kpt #: 247 total cpu time spent up to now is 45.8 secs Computing kpt #: 248 total cpu time spent up to now is 46.0 secs Computing kpt #: 249 total cpu time spent up to now is 46.2 secs Computing kpt #: 250 total cpu time spent up to now is 46.3 secs Computing kpt #: 251 total cpu time spent up to now is 46.5 secs Computing kpt #: 252 total cpu time spent up to now is 46.6 secs Computing kpt #: 253 total cpu time spent up to now is 46.8 secs Computing kpt #: 254 total cpu time spent up to now is 46.9 secs Computing kpt #: 255 total cpu time spent up to now is 47.0 secs Computing kpt #: 256 total cpu time spent up to now is 47.2 secs Computing kpt #: 257 total cpu time spent up to now is 47.3 secs Computing kpt #: 258 total cpu time spent up to now is 47.5 secs Computing kpt #: 259 total cpu time spent up to now is 47.6 secs Computing kpt #: 260 total cpu time spent up to now is 47.8 secs Computing kpt #: 261 total cpu time spent up to now is 47.9 secs Computing kpt #: 262 total cpu time spent up to now is 48.1 secs Computing kpt #: 263 total cpu time spent up to now is 48.2 secs Computing kpt #: 264 total cpu time spent up to now is 48.4 secs Computing kpt #: 265 total cpu time spent up to now is 48.6 secs Computing kpt #: 266 total cpu time spent up to now is 48.7 secs Computing kpt #: 267 total cpu time spent up to now is 48.9 secs Computing kpt #: 268 total cpu time spent up to now is 49.1 secs Computing kpt #: 269 total cpu time spent up to now is 49.2 secs Computing kpt #: 270 total cpu time spent up to now is 49.4 secs Computing kpt #: 271 total cpu time spent up to now is 49.6 secs Computing kpt #: 272 total cpu time spent up to now is 49.8 secs Computing kpt #: 273 total cpu time spent up to now is 50.0 secs Computing kpt #: 274 total cpu time spent up to now is 50.2 secs Computing kpt #: 275 total cpu time spent up to now is 50.4 secs Computing kpt #: 276 total cpu time spent up to now is 50.5 secs Computing kpt #: 277 total cpu time spent up to now is 50.7 secs Computing kpt #: 278 total cpu time spent up to now is 50.9 secs Computing kpt #: 279 total cpu time spent up to now is 51.1 secs Computing kpt #: 280 total cpu time spent up to now is 51.3 secs Computing kpt #: 281 total cpu time spent up to now is 51.5 secs Computing kpt #: 282 total cpu time spent up to now is 51.7 secs Computing kpt #: 283 total cpu time spent up to now is 51.9 secs Computing kpt #: 284 total cpu time spent up to now is 52.1 secs Computing kpt #: 285 total cpu time spent up to now is 52.3 secs Computing kpt #: 286 total cpu time spent up to now is 52.5 secs Computing kpt #: 287 total cpu time spent up to now is 52.7 secs Computing kpt #: 288 total cpu time spent up to now is 52.9 secs Computing kpt #: 289 total cpu time spent up to now is 53.1 secs Computing kpt #: 290 total cpu time spent up to now is 53.3 secs Computing kpt #: 291 total cpu time spent up to now is 53.5 secs Computing kpt #: 292 total cpu time spent up to now is 53.8 secs Computing kpt #: 293 total cpu time spent up to now is 54.0 secs Computing kpt #: 294 total cpu time spent up to now is 54.2 secs Computing kpt #: 295 total cpu time spent up to now is 54.4 secs Computing kpt #: 296 total cpu time spent up to now is 54.5 secs Computing kpt #: 297 total cpu time spent up to now is 54.7 secs Computing kpt #: 298 total cpu time spent up to now is 54.9 secs Computing kpt #: 299 total cpu time spent up to now is 55.1 secs Computing kpt #: 300 total cpu time spent up to now is 55.2 secs Computing kpt #: 301 total cpu time spent up to now is 55.4 secs Computing kpt #: 302 total cpu time spent up to now is 55.6 secs Computing kpt #: 303 total cpu time spent up to now is 55.7 secs Computing kpt #: 304 total cpu time spent up to now is 55.9 secs Computing kpt #: 305 total cpu time spent up to now is 56.1 secs Computing kpt #: 306 total cpu time spent up to now is 56.2 secs Computing kpt #: 307 total cpu time spent up to now is 56.4 secs Computing kpt #: 308 total cpu time spent up to now is 56.5 secs Computing kpt #: 309 total cpu time spent up to now is 56.6 secs Computing kpt #: 310 total cpu time spent up to now is 56.8 secs Computing kpt #: 311 total cpu time spent up to now is 56.9 secs Computing kpt #: 312 total cpu time spent up to now is 57.1 secs Computing kpt #: 313 total cpu time spent up to now is 57.2 secs Computing kpt #: 314 total cpu time spent up to now is 57.4 secs Computing kpt #: 315 total cpu time spent up to now is 57.5 secs Computing kpt #: 316 total cpu time spent up to now is 57.7 secs Computing kpt #: 317 total cpu time spent up to now is 57.8 secs Computing kpt #: 318 total cpu time spent up to now is 58.0 secs Computing kpt #: 319 total cpu time spent up to now is 58.1 secs Computing kpt #: 320 total cpu time spent up to now is 58.3 secs Computing kpt #: 321 total cpu time spent up to now is 58.4 secs Computing kpt #: 322 total cpu time spent up to now is 58.6 secs Computing kpt #: 323 total cpu time spent up to now is 58.8 secs Computing kpt #: 324 total cpu time spent up to now is 58.9 secs Computing kpt #: 325 total cpu time spent up to now is 59.1 secs Computing kpt #: 326 total cpu time spent up to now is 59.3 secs Computing kpt #: 327 total cpu time spent up to now is 59.4 secs Computing kpt #: 328 total cpu time spent up to now is 59.6 secs Computing kpt #: 329 total cpu time spent up to now is 59.8 secs Computing kpt #: 330 total cpu time spent up to now is 60.0 secs Computing kpt #: 331 total cpu time spent up to now is 60.1 secs Computing kpt #: 332 total cpu time spent up to now is 60.3 secs Computing kpt #: 333 total cpu time spent up to now is 60.4 secs Computing kpt #: 334 total cpu time spent up to now is 60.6 secs Computing kpt #: 335 total cpu time spent up to now is 60.8 secs Computing kpt #: 336 total cpu time spent up to now is 60.9 secs Computing kpt #: 337 total cpu time spent up to now is 61.1 secs Computing kpt #: 338 total cpu time spent up to now is 61.2 secs Computing kpt #: 339 total cpu time spent up to now is 61.4 secs Computing kpt #: 340 total cpu time spent up to now is 61.5 secs Computing kpt #: 341 total cpu time spent up to now is 61.7 secs Computing kpt #: 342 total cpu time spent up to now is 61.9 secs Computing kpt #: 343 total cpu time spent up to now is 62.0 secs Computing kpt #: 344 total cpu time spent up to now is 62.5 secs Computing kpt #: 345 total cpu time spent up to now is 62.7 secs Computing kpt #: 346 total cpu time spent up to now is 62.8 secs Computing kpt #: 347 total cpu time spent up to now is 63.0 secs Computing kpt #: 348 total cpu time spent up to now is 63.1 secs Computing kpt #: 349 total cpu time spent up to now is 63.3 secs Computing kpt #: 350 total cpu time spent up to now is 63.4 secs Computing kpt #: 351 total cpu time spent up to now is 63.6 secs Computing kpt #: 352 total cpu time spent up to now is 63.8 secs Computing kpt #: 353 total cpu time spent up to now is 63.9 secs Computing kpt #: 354 total cpu time spent up to now is 64.1 secs Computing kpt #: 355 total cpu time spent up to now is 64.2 secs Computing kpt #: 356 total cpu time spent up to now is 64.4 secs Computing kpt #: 357 total cpu time spent up to now is 64.5 secs Computing kpt #: 358 total cpu time spent up to now is 64.7 secs Computing kpt #: 359 total cpu time spent up to now is 64.8 secs Computing kpt #: 360 total cpu time spent up to now is 65.0 secs Computing kpt #: 361 total cpu time spent up to now is 65.2 secs Computing kpt #: 362 total cpu time spent up to now is 65.3 secs Computing kpt #: 363 total cpu time spent up to now is 65.5 secs Computing kpt #: 364 total cpu time spent up to now is 65.7 secs Computing kpt #: 365 total cpu time spent up to now is 65.8 secs Computing kpt #: 366 total cpu time spent up to now is 66.0 secs Computing kpt #: 367 total cpu time spent up to now is 66.3 secs Computing kpt #: 368 total cpu time spent up to now is 66.5 secs Computing kpt #: 369 total cpu time spent up to now is 66.7 secs Computing kpt #: 370 total cpu time spent up to now is 66.9 secs Computing kpt #: 371 total cpu time spent up to now is 67.2 secs Computing kpt #: 372 total cpu time spent up to now is 67.4 secs Computing kpt #: 373 total cpu time spent up to now is 67.5 secs Computing kpt #: 374 total cpu time spent up to now is 67.7 secs Computing kpt #: 375 total cpu time spent up to now is 67.9 secs Computing kpt #: 376 total cpu time spent up to now is 68.0 secs Computing kpt #: 377 total cpu time spent up to now is 68.2 secs Computing kpt #: 378 total cpu time spent up to now is 68.4 secs Computing kpt #: 379 total cpu time spent up to now is 68.5 secs Computing kpt #: 380 total cpu time spent up to now is 68.7 secs Computing kpt #: 381 total cpu time spent up to now is 68.8 secs Computing kpt #: 382 total cpu time spent up to now is 69.0 secs Computing kpt #: 383 total cpu time spent up to now is 69.1 secs Computing kpt #: 384 total cpu time spent up to now is 69.3 secs Computing kpt #: 385 total cpu time spent up to now is 69.4 secs Computing kpt #: 386 total cpu time spent up to now is 69.6 secs Computing kpt #: 387 total cpu time spent up to now is 69.7 secs Computing kpt #: 388 total cpu time spent up to now is 69.9 secs Computing kpt #: 389 total cpu time spent up to now is 70.0 secs Computing kpt #: 390 total cpu time spent up to now is 70.2 secs Computing kpt #: 391 total cpu time spent up to now is 70.4 secs Computing kpt #: 392 total cpu time spent up to now is 70.5 secs Computing kpt #: 393 total cpu time spent up to now is 70.7 secs Computing kpt #: 394 total cpu time spent up to now is 70.8 secs Computing kpt #: 395 total cpu time spent up to now is 71.0 secs Computing kpt #: 396 total cpu time spent up to now is 71.1 secs Computing kpt #: 397 total cpu time spent up to now is 71.3 secs Computing kpt #: 398 total cpu time spent up to now is 71.4 secs Computing kpt #: 399 total cpu time spent up to now is 71.6 secs Computing kpt #: 400 total cpu time spent up to now is 71.7 secs Computing kpt #: 401 total cpu time spent up to now is 71.9 secs Computing kpt #: 402 total cpu time spent up to now is 72.0 secs Computing kpt #: 403 total cpu time spent up to now is 72.2 secs Computing kpt #: 404 total cpu time spent up to now is 72.3 secs Computing kpt #: 405 total cpu time spent up to now is 72.5 secs Computing kpt #: 406 total cpu time spent up to now is 72.7 secs Computing kpt #: 407 total cpu time spent up to now is 72.8 secs Computing kpt #: 408 total cpu time spent up to now is 73.0 secs Computing kpt #: 409 total cpu time spent up to now is 73.2 secs Computing kpt #: 410 total cpu time spent up to now is 73.3 secs Computing kpt #: 411 total cpu time spent up to now is 73.5 secs Computing kpt #: 412 total cpu time spent up to now is 73.7 secs Computing kpt #: 413 total cpu time spent up to now is 73.9 secs Computing kpt #: 414 total cpu time spent up to now is 74.1 secs Computing kpt #: 415 total cpu time spent up to now is 74.3 secs Computing kpt #: 416 total cpu time spent up to now is 74.6 secs Computing kpt #: 417 total cpu time spent up to now is 74.8 secs Computing kpt #: 418 total cpu time spent up to now is 74.9 secs Computing kpt #: 419 total cpu time spent up to now is 75.1 secs Computing kpt #: 420 total cpu time spent up to now is 75.3 secs Computing kpt #: 421 total cpu time spent up to now is 75.5 secs Computing kpt #: 422 total cpu time spent up to now is 75.6 secs Computing kpt #: 423 total cpu time spent up to now is 75.8 secs Computing kpt #: 424 total cpu time spent up to now is 75.9 secs Computing kpt #: 425 total cpu time spent up to now is 76.1 secs Computing kpt #: 426 total cpu time spent up to now is 76.3 secs Computing kpt #: 427 total cpu time spent up to now is 76.4 secs Computing kpt #: 428 total cpu time spent up to now is 76.6 secs Computing kpt #: 429 total cpu time spent up to now is 76.8 secs Computing kpt #: 430 total cpu time spent up to now is 76.9 secs Computing kpt #: 431 total cpu time spent up to now is 77.1 secs Computing kpt #: 432 total cpu time spent up to now is 77.2 secs Computing kpt #: 433 total cpu time spent up to now is 77.4 secs Computing kpt #: 434 total cpu time spent up to now is 77.5 secs Computing kpt #: 435 total cpu time spent up to now is 77.7 secs Computing kpt #: 436 total cpu time spent up to now is 77.8 secs Computing kpt #: 437 total cpu time spent up to now is 78.0 secs Computing kpt #: 438 total cpu time spent up to now is 78.1 secs Computing kpt #: 439 total cpu time spent up to now is 78.3 secs Computing kpt #: 440 total cpu time spent up to now is 78.4 secs Computing kpt #: 441 total cpu time spent up to now is 78.6 secs Computing kpt #: 442 total cpu time spent up to now is 78.8 secs Computing kpt #: 443 total cpu time spent up to now is 78.9 secs Computing kpt #: 444 total cpu time spent up to now is 79.1 secs Computing kpt #: 445 total cpu time spent up to now is 79.3 secs Computing kpt #: 446 total cpu time spent up to now is 79.4 secs Computing kpt #: 447 total cpu time spent up to now is 79.6 secs Computing kpt #: 448 total cpu time spent up to now is 79.8 secs Computing kpt #: 449 total cpu time spent up to now is 79.9 secs Computing kpt #: 450 total cpu time spent up to now is 80.1 secs Computing kpt #: 451 total cpu time spent up to now is 80.3 secs Computing kpt #: 452 total cpu time spent up to now is 80.4 secs Computing kpt #: 453 total cpu time spent up to now is 80.6 secs Computing kpt #: 454 total cpu time spent up to now is 80.8 secs Computing kpt #: 455 total cpu time spent up to now is 81.0 secs Computing kpt #: 456 total cpu time spent up to now is 81.1 secs Computing kpt #: 457 total cpu time spent up to now is 81.3 secs Computing kpt #: 458 total cpu time spent up to now is 81.5 secs Computing kpt #: 459 total cpu time spent up to now is 81.7 secs Computing kpt #: 460 total cpu time spent up to now is 82.0 secs Computing kpt #: 461 total cpu time spent up to now is 82.2 secs Computing kpt #: 462 total cpu time spent up to now is 82.4 secs Computing kpt #: 463 total cpu time spent up to now is 82.6 secs Computing kpt #: 464 total cpu time spent up to now is 82.8 secs Computing kpt #: 465 total cpu time spent up to now is 83.1 secs Computing kpt #: 466 total cpu time spent up to now is 83.3 secs Computing kpt #: 467 total cpu time spent up to now is 83.5 secs Computing kpt #: 468 total cpu time spent up to now is 83.7 secs Computing kpt #: 469 total cpu time spent up to now is 83.9 secs Computing kpt #: 470 total cpu time spent up to now is 84.2 secs Computing kpt #: 471 total cpu time spent up to now is 84.4 secs Computing kpt #: 472 total cpu time spent up to now is 84.6 secs Computing kpt #: 473 total cpu time spent up to now is 84.8 secs Computing kpt #: 474 total cpu time spent up to now is 85.0 secs Computing kpt #: 475 total cpu time spent up to now is 85.2 secs Computing kpt #: 476 total cpu time spent up to now is 85.4 secs Computing kpt #: 477 total cpu time spent up to now is 85.6 secs Computing kpt #: 478 total cpu time spent up to now is 85.8 secs Computing kpt #: 479 total cpu time spent up to now is 86.1 secs Computing kpt #: 480 total cpu time spent up to now is 86.3 secs Computing kpt #: 481 total cpu time spent up to now is 86.5 secs Computing kpt #: 482 total cpu time spent up to now is 86.7 secs Computing kpt #: 483 total cpu time spent up to now is 86.9 secs Computing kpt #: 484 total cpu time spent up to now is 87.1 secs Computing kpt #: 485 total cpu time spent up to now is 87.2 secs Computing kpt #: 486 total cpu time spent up to now is 87.4 secs Computing kpt #: 487 total cpu time spent up to now is 87.5 secs Computing kpt #: 488 total cpu time spent up to now is 87.7 secs Computing kpt #: 489 total cpu time spent up to now is 87.9 secs Computing kpt #: 490 total cpu time spent up to now is 88.0 secs Computing kpt #: 491 total cpu time spent up to now is 88.2 secs Computing kpt #: 492 total cpu time spent up to now is 88.3 secs ethr = 3.13E-08, avg # of iterations = 18.0 total cpu time spent up to now is 88.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): -9.7418 -9.7418 -5.1256 -5.1256 -3.0869 -3.0869 -2.9272 -2.9272 -2.6998 -2.6998 1.0130 1.0130 1.5471 1.5471 2.3027 2.3027 2.8233 2.8233 3.1513 3.1513 3.9839 3.9839 4.3254 4.3254 4.6082 4.6082 7.9282 7.9282 8.7401 8.7401 9.5716 9.5716 10.7128 10.7128 12.5146 12.5146 13.6908 13.6908 15.6197 15.6197 k = 0.0079 0.0082-0.0000 ( 1677 PWs) bands (ev): -9.7407 -9.7407 -5.1248 -5.1248 -3.1554 -3.1554 -2.8576 -2.8576 -2.6989 -2.6989 0.9905 0.9905 1.5710 1.5710 2.2891 2.2891 2.8167 2.8167 3.1647 3.1647 3.9722 3.9722 4.3335 4.3335 4.6152 4.6152 7.9262 7.9262 8.7414 8.7414 9.5670 9.5670 10.7109 10.7109 12.5155 12.5155 13.6884 13.6884 15.6263 15.6263 k = 0.0158 0.0164-0.0000 ( 1677 PWs) bands (ev): -9.7373 -9.7373 -5.1223 -5.1223 -3.2684 -3.2684 -2.7411 -2.7411 -2.6961 -2.6961 0.9320 0.9320 1.6334 1.6334 2.2507 2.2507 2.7976 2.7976 3.2027 3.2027 3.9384 3.9384 4.3574 4.3574 4.6348 4.6348 7.9202 7.9202 8.7451 8.7451 9.5532 9.5532 10.7052 10.7052 12.5181 12.5181 13.6812 13.6812 15.6459 15.6459 k = 0.0237 0.0246-0.0000 ( 1673 PWs) bands (ev): -9.7315 -9.7315 -5.1183 -5.1183 -3.3870 -3.3870 -2.6916 -2.6916 -2.6169 -2.6169 0.8530 0.8530 1.7192 1.7192 2.1929 2.1929 2.7671 2.7671 3.2598 3.2598 3.8866 3.8866 4.3960 4.3960 4.6630 4.6630 7.9103 7.9103 8.7513 8.7513 9.5304 9.5304 10.6961 10.6961 12.5226 12.5226 13.6694 13.6694 15.6783 15.6783 k = 0.0315 0.0328-0.0000 ( 1665 PWs) bands (ev): -9.7235 -9.7235 -5.1126 -5.1126 -3.5061 -3.5061 -2.6853 -2.6853 -2.4898 -2.4898 0.7637 0.7637 1.8180 1.8180 2.1216 2.1216 2.7270 2.7270 3.3301 3.3301 3.8205 3.8205 4.4475 4.4475 4.6961 4.6961 7.8964 7.8964 8.7600 8.7600 9.4988 9.4988 10.6841 10.6841 12.5288 12.5288 13.6538 13.6538 15.7229 15.7229 k = 0.0394 0.0410-0.0000 ( 1661 PWs) bands (ev): -9.7132 -9.7132 -5.1054 -5.1054 -3.6246 -3.6246 -2.6773 -2.6773 -2.3614 -2.3614 0.6693 0.6693 1.9244 1.9244 2.0411 2.0411 2.6791 2.6791 3.4089 3.4089 3.7435 3.7435 4.5100 4.5100 4.7305 4.7305 7.8785 7.8785 8.7712 8.7712 9.4585 9.4585 10.6695 10.6695 12.5368 12.5368 13.6345 13.6345 15.7792 15.7792 k = 0.0473 0.0492-0.0000 ( 1669 PWs) bands (ev): -9.7007 -9.7007 -5.0965 -5.0965 -3.7420 -3.7420 -2.6674 -2.6674 -2.2320 -2.2320 0.5725 0.5725 1.9547 1.9547 2.0357 2.0357 2.6252 2.6252 3.4932 3.4932 3.6579 3.6579 4.5816 4.5816 4.7641 4.7641 7.8566 7.8566 8.7849 8.7849 9.4099 9.4099 10.6530 10.6530 12.5466 12.5466 13.6121 13.6121 15.8465 15.8465 k = 0.0552 0.0574-0.0000 ( 1669 PWs) bands (ev): -9.6859 -9.6859 -5.0861 -5.0861 -3.8581 -3.8581 -2.6559 -2.6559 -2.1020 -2.1020 0.4749 0.4749 1.8646 1.8646 2.1504 2.1504 2.5673 2.5673 3.5654 3.5654 3.5805 3.5805 4.6609 4.6609 4.7952 4.7952 7.8307 7.8307 8.8010 8.8010 9.3534 9.3534 10.6355 10.6355 12.5581 12.5581 13.5877 13.5877 15.9239 15.9239 k = 0.0631 0.0656-0.0000 ( 1671 PWs) bands (ev): -9.6688 -9.6688 -5.0740 -5.0740 -3.9727 -3.9727 -2.6426 -2.6426 -1.9717 -1.9717 0.3773 0.3773 1.7721 1.7721 2.2678 2.2678 2.5067 2.5067 3.4672 3.4672 3.6693 3.6693 4.7465 4.7465 4.8228 4.8228 7.8009 7.8009 8.8196 8.8196 9.2894 9.2894 10.6177 10.6177 12.5714 12.5714 13.5618 13.5618 16.0106 16.0106 k = 0.0710 0.0738-0.0000 ( 1667 PWs) bands (ev): -9.6494 -9.6494 -5.0604 -5.0604 -4.0858 -4.0858 -2.6276 -2.6276 -1.8416 -1.8416 0.2801 0.2801 1.6783 1.6783 2.3872 2.3872 2.4448 2.4448 3.3640 3.3640 3.7585 3.7585 4.8368 4.8368 4.8465 4.8465 7.7671 7.7671 8.8408 8.8408 9.2186 9.2186 10.6003 10.6003 12.5864 12.5864 13.5353 13.5353 16.1057 16.1057 k = 0.0789 0.0820-0.0000 ( 1663 PWs) bands (ev): -9.6277 -9.6277 -5.0453 -5.0453 -4.1972 -4.1972 -2.6110 -2.6110 -1.7118 -1.7118 0.1837 0.1837 1.5839 1.5839 2.3826 2.3826 2.5083 2.5083 3.2565 3.2565 3.8470 3.8470 4.8647 4.8647 4.9322 4.9322 7.7293 7.7293 8.8644 8.8644 9.1413 9.1413 10.5840 10.5840 12.6032 12.6032 13.5090 13.5090 16.2081 16.2081 k = 0.0868 0.0902-0.0000 ( 1667 PWs) bands (ev): -9.6038 -9.6038 -5.0286 -5.0286 -4.3070 -4.3070 -2.5928 -2.5928 -1.5828 -1.5828 0.0883 0.0883 1.4893 1.4893 2.3212 2.3212 2.6309 2.6309 3.1451 3.1451 3.9342 3.9342 4.8783 4.8783 5.0306 5.0306 7.6875 7.6875 8.8905 8.8905 9.0581 9.0581 10.5696 10.5696 12.6217 12.6217 13.4833 13.4833 16.3170 16.3170 k = 0.0946 0.0984-0.0000 ( 1667 PWs) bands (ev): -9.5777 -9.5777 -5.0105 -5.0105 -4.4151 -4.4151 -2.5730 -2.5730 -1.4549 -1.4549 -0.0058 -0.0058 1.3952 1.3952 2.2614 2.2614 2.7547 2.7547 3.0303 3.0303 4.0193 4.0193 4.8867 4.8867 5.1319 5.1319 7.6418 7.6418 8.9191 8.9191 8.9696 8.9696 10.5577 10.5577 12.6419 12.6419 13.4591 13.4591 16.3688 16.3688 k = 0.1025 0.1066-0.0000 ( 1663 PWs) bands (ev): -9.5492 -9.5492 -4.9908 -4.9908 -4.5214 -4.5214 -2.5517 -2.5517 -1.3287 -1.3287 -0.0987 -0.0987 1.3016 1.3016 2.2041 2.2041 2.8795 2.8795 2.9124 2.9124 4.1018 4.1018 4.8897 4.8897 5.2355 5.2355 7.5922 7.5922 8.8766 8.8766 8.9502 8.9502 10.5487 10.5487 12.6638 12.6638 13.4371 13.4371 16.3713 16.3713 k = 0.1104 0.1148-0.0000 ( 1665 PWs) bands (ev): -9.5185 -9.5185 -4.9697 -4.9697 -4.6261 -4.6261 -2.5290 -2.5290 -1.2047 -1.2047 -0.1902 -0.1902 1.2089 1.2089 2.1502 2.1502 2.7918 2.7918 3.0053 3.0053 4.1811 4.1811 4.8875 4.8875 5.3411 5.3411 7.5387 7.5387 8.7795 8.7795 8.9839 8.9839 10.5431 10.5431 12.6874 12.6874 13.4178 13.4178 16.3738 16.3738 k = 0.1183 0.1230-0.0000 ( 1665 PWs) bands (ev): -9.4855 -9.4855 -4.9472 -4.9472 -4.7288 -4.7288 -2.5050 -2.5050 -1.0835 -1.0835 -0.2802 -0.2802 1.1173 1.1173 2.1006 2.1006 2.6688 2.6688 3.1319 3.1319 4.2567 4.2567 4.8801 4.8801 5.4483 5.4483 7.4813 7.4813 8.6791 8.6791 9.0200 9.0200 10.5412 10.5412 12.7126 12.7126 13.4018 13.4018 16.3761 16.3761 k = 0.1262 0.1312-0.0000 ( 1661 PWs) bands (ev): -9.4503 -9.4503 -4.9232 -4.9232 -4.8296 -4.8296 -2.4797 -2.4797 -0.9659 -0.9659 -0.3687 -0.3687 1.0271 1.0271 2.0563 2.0563 2.5436 2.5436 3.2592 3.2592 4.3280 4.3280 4.8676 4.8676 5.5567 5.5567 7.4201 7.4201 8.5761 8.5761 9.0587 9.0587 10.5433 10.5433 12.7395 12.7395 13.3896 13.3896 16.3782 16.3782 k = 0.1341 0.1395-0.0000 ( 1657 PWs) bands (ev): -9.4129 -9.4129 -4.9286 -4.9286 -4.8979 -4.8979 -2.4532 -2.4532 -0.8529 -0.8529 -0.4556 -0.4556 0.9383 0.9383 2.0182 2.0182 2.4165 2.4165 3.3873 3.3873 4.3944 4.3944 4.8503 4.8503 5.6664 5.6664 7.3552 7.3552 8.4712 8.4712 9.0999 9.0999 10.5494 10.5494 12.7681 12.7681 13.3816 13.3816 16.3801 16.3801 k = 0.1420 0.1477-0.0000 ( 1661 PWs) bands (ev): -9.3732 -9.3732 -5.0257 -5.0257 -4.8712 -4.8712 -2.4257 -2.4257 -0.7454 -0.7454 -0.5410 -0.5410 0.8511 0.8511 1.9874 1.9874 2.2878 2.2878 3.5157 3.5157 4.4554 4.4554 4.8285 4.8285 5.7765 5.7765 7.2865 7.2865 8.3651 8.3651 9.1435 9.1435 10.5598 10.5598 12.7982 12.7982 13.3782 13.3782 16.3816 16.3816 k = 0.1499 0.1559-0.0000 ( 1667 PWs) bands (ev): -9.3312 -9.3312 -5.1209 -5.1209 -4.8433 -4.8433 -2.3973 -2.3973 -0.6445 -0.6445 -0.6247 -0.6247 0.7657 0.7657 1.9651 1.9651 2.1578 2.1578 3.6443 3.6443 4.5103 4.5103 4.8023 4.8023 5.8872 5.8872 7.2143 7.2143 8.2586 8.2586 9.1897 9.1897 10.5743 10.5743 12.8299 12.8299 13.3799 13.3799 16.3827 16.3827 k = 0.1577 0.1641-0.0000 ( 1671 PWs) bands (ev): -9.2871 -9.2871 -5.2141 -5.2141 -4.8141 -4.8141 -2.3682 -2.3682 -0.7069 -0.7069 -0.5513 -0.5513 0.6821 0.6821 1.9525 1.9525 2.0268 2.0268 3.7733 3.7733 4.5587 4.5587 4.7721 4.7721 5.9982 5.9982 7.1386 7.1386 8.1524 8.1524 9.2385 9.2385 10.5928 10.5928 12.8633 12.8633 13.3870 13.3870 16.3833 16.3833 k = 0.1656 0.1723-0.0000 ( 1673 PWs) bands (ev): -9.2407 -9.2407 -5.3054 -5.3054 -4.7837 -4.7837 -2.3386 -2.3386 -0.7873 -0.7873 -0.4670 -0.4670 0.6006 0.6006 1.8952 1.8952 1.9509 1.9509 3.9023 3.9023 4.6000 4.6000 4.7383 4.7383 6.1093 6.1093 7.0595 7.0595 8.0474 8.0474 9.2896 9.2896 10.6154 10.6154 12.8981 12.8981 13.3997 13.3997 16.3833 16.3833 k = 0.1735 0.1805-0.0000 ( 1677 PWs) bands (ev): -9.1920 -9.1920 -5.3948 -5.3948 -4.7521 -4.7521 -2.3086 -2.3086 -0.8660 -0.8660 -0.3927 -0.3927 0.5211 0.5211 1.7634 1.7634 1.9612 1.9612 4.0314 4.0314 4.6335 4.6335 4.7012 4.7012 6.2204 6.2204 6.9772 6.9772 7.9442 7.9442 9.3434 9.3434 10.6418 10.6418 12.9345 12.9345 13.4183 13.4183 16.3826 16.3826 k = 0.1814 0.1887-0.0000 ( 1677 PWs) bands (ev): -9.1412 -9.1412 -5.4821 -5.4821 -4.7195 -4.7195 -2.2786 -2.2786 -0.9429 -0.9429 -0.3293 -0.3293 0.4438 0.4438 1.6317 1.6317 1.9844 1.9844 4.1604 4.1604 4.6586 4.6586 4.6613 4.6613 6.3313 6.3313 6.8916 6.8916 7.8436 7.8436 9.3996 9.3996 10.6718 10.6718 12.9724 12.9724 13.4429 13.4429 16.3811 16.3811 k = 0.1893 0.1969-0.0000 ( 1675 PWs) bands (ev): -9.0881 -9.0881 -5.5674 -5.5674 -4.6858 -4.6858 -2.2490 -2.2490 -1.0181 -1.0181 -0.2772 -0.2772 0.3688 0.3688 1.5005 1.5005 2.0209 2.0209 4.2891 4.2891 4.6186 4.6186 4.6750 4.6750 6.4418 6.4418 6.8030 6.8030 7.7464 7.7464 9.4584 9.4584 10.7054 10.7054 13.0117 13.0117 13.4739 13.4739 16.3788 16.3788 k = 0.1972 0.2051-0.0000 ( 1675 PWs) bands (ev): -9.0329 -9.0329 -5.6507 -5.6507 -4.6511 -4.6511 -2.2200 -2.2200 -1.0915 -1.0915 -0.2367 -0.2367 0.2962 0.2962 1.3706 1.3706 2.0710 2.0710 4.4176 4.4176 4.5738 4.5738 4.6820 4.6820 6.5518 6.5518 6.7115 6.7115 7.6533 7.6533 9.5197 9.5197 10.7419 10.7419 13.0525 13.0525 13.5111 13.5111 16.3755 16.3755 k = 0.2051 0.2133-0.0000 ( 1671 PWs) bands (ev): -8.9754 -8.9754 -5.7320 -5.7320 -4.6156 -4.6156 -2.1920 -2.1920 -1.1631 -1.1631 -0.2074 -0.2074 0.2261 0.2261 1.2424 1.2424 2.1342 2.1342 4.5271 4.5271 4.5456 4.5456 4.6792 4.6792 6.6172 6.6172 6.6611 6.6611 7.5649 7.5649 9.5835 9.5835 10.7814 10.7814 13.0946 13.0946 13.5548 13.5548 16.3711 16.3711 k = 0.2129 0.2215-0.0000 ( 1669 PWs) bands (ev): -8.9158 -8.9158 -5.8113 -5.8113 -4.5792 -4.5792 -2.1658 -2.1658 -1.2330 -1.2330 -0.1887 -0.1887 0.1585 0.1585 1.1165 1.1165 2.2098 2.2098 4.4788 4.4788 4.6665 4.6665 4.6729 4.6729 6.5202 6.5202 6.7696 6.7696 7.4817 7.4817 9.6497 9.6497 10.8236 10.8236 13.1381 13.1381 13.6050 13.6050 16.3655 16.3655 k = 0.2208 0.2297-0.0000 ( 1674 PWs) bands (ev): -8.8540 -8.8540 -5.8885 -5.8885 -4.5420 -4.5420 -2.1418 -2.1418 -1.3011 -1.3011 -0.1796 -0.1796 0.0936 0.0936 0.9937 0.9937 2.2969 2.2969 4.4291 4.4291 4.6434 4.6434 4.7996 4.7996 6.4207 6.4207 6.8771 6.8771 7.4040 7.4040 9.7183 9.7183 10.8681 10.8681 13.1828 13.1828 13.6615 13.6615 16.3584 16.3584 k = 0.2287 0.2379-0.0000 ( 1662 PWs) bands (ev): -8.7900 -8.7900 -5.9637 -5.9637 -4.5042 -4.5042 -2.1209 -2.1209 -1.3673 -1.3673 -0.1790 -0.1790 0.0315 0.0315 0.8750 0.8750 2.3941 2.3941 4.3785 4.3785 4.6102 4.6102 4.9257 4.9257 6.3189 6.3189 6.9837 6.9837 7.3323 7.3323 9.7895 9.7895 10.9147 10.9147 13.2289 13.2289 13.7244 13.7244 16.3501 16.3501 k = 0.2366 0.2461-0.0000 ( 1662 PWs) bands (ev): -8.7239 -8.7239 -6.0367 -6.0367 -4.4658 -4.4658 -2.1037 -2.1037 -1.4317 -1.4317 -0.1858 -0.1858 -0.0278 -0.0278 0.7612 0.7612 2.5002 2.5002 4.3271 4.3271 4.5668 4.5668 5.0505 5.0505 6.2150 6.2150 7.0888 7.0888 7.2665 7.2665 9.8630 9.8630 10.9632 10.9632 13.2761 13.2761 13.7936 13.7936 16.3403 16.3403 k = 0.2445 0.2543-0.0000 ( 1666 PWs) bands (ev): -8.6556 -8.6556 -6.1078 -6.1078 -4.4269 -4.4269 -2.0915 -2.0915 -1.4944 -1.4944 -0.1986 -0.1986 -0.0841 -0.0841 0.6534 0.6534 2.6138 2.6138 4.2750 4.2750 4.5137 4.5137 5.1741 5.1741 6.1089 6.1089 7.1925 7.1925 7.2067 7.2067 9.9387 9.9387 11.0134 11.0134 13.3245 13.3245 13.8688 13.8688 16.3289 16.3289 k = 0.2524 0.2625-0.0000 ( 1670 PWs) bands (ev): -8.5852 -8.5852 -6.1767 -6.1767 -4.3877 -4.3877 -2.0851 -2.0851 -1.5552 -1.5552 -0.2165 -0.2165 -0.1374 -0.1374 0.5528 0.5528 2.7337 2.7337 4.2227 4.2227 4.4516 4.4516 5.2964 5.2964 6.0011 6.0011 7.1526 7.1526 7.2947 7.2947 10.0168 10.0168 11.0648 11.0648 13.3741 13.3741 13.9499 13.9499 16.3157 16.3157 k = 0.2603 0.2707-0.0000 ( 1674 PWs) bands (ev): -8.5127 -8.5127 -6.2435 -6.2435 -4.3482 -4.3482 -2.0857 -2.0857 -1.6142 -1.6142 -0.2383 -0.2383 -0.1875 -0.1875 0.4607 0.4607 2.8592 2.8592 4.1702 4.1702 4.3807 4.3807 5.4173 5.4173 5.8915 5.8915 7.1038 7.1038 7.3951 7.3951 10.0971 10.0971 11.1175 11.1175 13.4246 13.4246 14.0369 14.0369 16.3007 16.3007 k = 0.2682 0.2789-0.0000 ( 1674 PWs) bands (ev): -8.4381 -8.4381 -6.3082 -6.3082 -4.3085 -4.3085 -2.0946 -2.0946 -1.6712 -1.6712 -0.2633 -0.2633 -0.2344 -0.2344 0.3783 0.3783 2.9886 2.9886 4.1177 4.1177 4.3023 4.3023 5.5365 5.5365 5.7805 5.7805 7.0600 7.0600 7.4939 7.4939 10.1795 10.1795 11.1710 11.1710 13.4762 13.4762 14.1293 14.1293 16.2838 16.2838 k = 0.2760 0.2871-0.0000 ( 1678 PWs) bands (ev): -8.3613 -8.3613 -6.3709 -6.3709 -4.2688 -4.2688 -2.1128 -2.1128 -1.7265 -1.7265 -0.2908 -0.2908 -0.2779 -0.2779 0.3069 0.3069 3.1212 3.1212 4.0654 4.0654 4.2168 4.2168 5.6542 5.6542 5.6684 5.6684 7.0207 7.0207 7.5907 7.5907 10.2643 10.2643 11.2253 11.2253 13.5287 13.5287 14.2268 14.2268 16.2650 16.2650 k = 0.2839 0.2953-0.0000 ( 1678 PWs) bands (ev): -8.2825 -8.2825 -6.4314 -6.4314 -4.2292 -4.2292 -2.1413 -2.1413 -1.7798 -1.7798 -0.3200 -0.3200 -0.3181 -0.3181 0.2476 0.2476 3.2564 3.2564 4.0132 4.0132 4.1253 4.1253 5.5551 5.5551 5.7698 5.7698 6.9855 6.9855 7.6854 7.6854 10.3508 10.3508 11.2800 11.2800 13.5820 13.5820 14.3293 14.3293 16.2443 16.2443 k = 0.2918 0.3035-0.0000 ( 1682 PWs) bands (ev): -8.2017 -8.2017 -6.4898 -6.4898 -4.1899 -4.1899 -2.1807 -2.1807 -1.8313 -1.8313 -0.3548 -0.3548 -0.3504 -0.3504 0.2011 0.2011 3.3934 3.3934 3.9612 3.9612 4.0285 4.0285 5.4410 5.4410 5.8833 5.8833 6.9538 6.9538 7.7778 7.7778 10.4392 10.4392 11.3350 11.3350 13.6359 13.6359 14.4363 14.4363 16.2213 16.2213 k = 0.2997 0.3117-0.0000 ( 1686 PWs) bands (ev): -8.1188 -8.1188 -6.5461 -6.5461 -4.1508 -4.1508 -2.2315 -2.2315 -1.8809 -1.8809 -0.3879 -0.3879 -0.3817 -0.3817 0.1678 0.1678 3.5315 3.5315 3.9096 3.9096 3.9274 3.9274 5.3264 5.3264 5.9945 5.9945 6.9251 6.9251 7.8680 7.8680 10.5293 10.5293 11.3899 11.3899 13.6907 13.6907 14.5476 14.5476 16.1965 16.1965 k = 0.3076 0.3199-0.0000 ( 1686 PWs) bands (ev): -8.0339 -8.0339 -6.6002 -6.6002 -4.1123 -4.1123 -2.2935 -2.2935 -1.9286 -1.9286 -0.4173 -0.4173 -0.4134 -0.4134 0.1478 0.1478 3.6701 3.6701 3.8225 3.8225 3.8583 3.8583 5.2115 5.2115 6.1033 6.1033 6.8990 6.8990 7.9557 7.9557 10.6209 10.6209 11.4448 11.4448 13.7460 13.7460 14.6626 14.6626 16.1696 16.1696 k = 0.3155 0.3281-0.0000 ( 1686 PWs) bands (ev): -7.9470 -7.9470 -6.6522 -6.6522 -4.0744 -4.0744 -2.3663 -2.3663 -1.9745 -1.9745 -0.4452 -0.4452 -0.4430 -0.4430 0.1407 0.1407 3.7148 3.7148 3.8070 3.8070 3.8090 3.8090 5.0966 5.0966 6.2096 6.2096 6.8752 6.8752 8.0409 8.0409 10.7141 10.7141 11.4993 11.4993 13.8019 13.8019 14.7811 14.7811 16.1407 16.1407 k = 0.3234 0.3363-0.0000 ( 1692 PWs) bands (ev): -7.8582 -7.8582 -6.7020 -6.7020 -4.0372 -4.0372 -2.4492 -2.4492 -2.0185 -2.0185 -0.4768 -0.4768 -0.4649 -0.4649 0.1458 0.1458 3.6049 3.6049 3.7564 3.7564 3.9467 3.9467 4.9820 4.9820 6.3130 6.3130 6.8533 6.8533 8.1233 8.1233 10.8084 10.8084 11.5533 11.5533 13.8581 13.8581 14.9025 14.9025 16.1097 16.1097 k = 0.3312 0.3445-0.0000 ( 1694 PWs) bands (ev): -7.7674 -7.7674 -6.7497 -6.7497 -4.0010 -4.0010 -2.5410 -2.5410 -2.0606 -2.0606 -0.5080 -0.5080 -0.4831 -0.4831 0.1621 0.1621 3.4934 3.4934 3.7057 3.7057 4.0835 4.0835 4.8680 4.8680 6.4136 6.4136 6.8330 6.8330 8.2030 8.2030 10.9037 10.9037 11.6066 11.6066 13.9146 13.9146 15.0265 15.0265 16.0769 16.0769 k = 0.3391 0.3527-0.0000 ( 1690 PWs) bands (ev): -7.6747 -7.6747 -6.7953 -6.7953 -3.9657 -3.9657 -2.6409 -2.6409 -2.1008 -2.1008 -0.5386 -0.5386 -0.4973 -0.4973 0.1888 0.1888 3.3811 3.3811 3.6547 3.6547 4.2187 4.2187 4.7553 4.7553 6.5112 6.5112 6.8142 6.8142 8.2798 8.2798 10.9998 10.9998 11.6590 11.6590 13.9712 13.9712 15.1526 15.1526 16.0422 16.0422 k = 0.3470 0.3609-0.0000 ( 1686 PWs) bands (ev): -7.5802 -7.5802 -6.8386 -6.8386 -3.9316 -3.9316 -2.7476 -2.7476 -2.1390 -2.1390 -0.5684 -0.5684 -0.5078 -0.5078 0.2246 0.2246 3.2685 3.2685 3.6034 3.6034 4.3520 4.3520 4.6443 4.6443 6.6056 6.6056 6.7967 6.7967 8.3536 8.3536 11.0965 11.0965 11.7103 11.7103 14.0279 14.0279 15.2804 15.2804 16.0059 16.0059 k = 0.3549 0.3691-0.0000 ( 1690 PWs) bands (ev): -7.4838 -7.4838 -6.8799 -6.8799 -3.8989 -3.8989 -2.8601 -2.8601 -2.1754 -2.1754 -0.5973 -0.5973 -0.5144 -0.5144 0.2687 0.2687 3.1559 3.1559 3.5512 3.5512 4.4825 4.4825 4.5354 4.5354 6.6965 6.6965 6.7803 6.7803 8.4243 8.4243 11.1933 11.1933 11.7604 11.7604 14.0844 14.0844 15.4091 15.4091 15.9679 15.9679 k = 0.3628 0.3773-0.0000 ( 1696 PWs) bands (ev): -7.3857 -7.3857 -6.9189 -6.9189 -3.8675 -3.8675 -2.9774 -2.9774 -2.2098 -2.2098 -0.6252 -0.6252 -0.5173 -0.5173 0.3199 0.3199 3.0442 3.0442 3.4977 3.4977 4.4296 4.4296 4.6101 4.6101 6.7649 6.7649 6.7839 6.7839 8.4918 8.4918 11.2900 11.2900 11.8091 11.8091 14.1405 14.1405 15.5383 15.5383 15.9286 15.9286 k = 0.3707 0.3855-0.0000 ( 1692 PWs) bands (ev): -7.2858 -7.2858 -6.9558 -6.9558 -3.8376 -3.8376 -3.0985 -3.0985 -2.2423 -2.2423 -0.6520 -0.6520 -0.5165 -0.5165 0.3776 0.3776 2.9336 2.9336 3.4424 3.4424 4.3275 4.3275 4.7340 4.7340 6.7504 6.7504 6.8676 6.8676 8.5560 8.5560 11.3863 11.3863 11.8562 11.8562 14.1962 14.1962 15.6674 15.6674 15.8882 15.8882 k = 0.3786 0.3937-0.0000 ( 1686 PWs) bands (ev): -7.1843 -7.1843 -6.9906 -6.9906 -3.8092 -3.8092 -3.2227 -3.2227 -2.2730 -2.2730 -0.6775 -0.6775 -0.5122 -0.5122 0.4409 0.4409 2.8248 2.8248 3.3846 3.3846 4.2300 4.2300 4.8541 4.8541 6.7369 6.7369 6.9474 6.9474 8.6170 8.6170 11.4816 11.4816 11.9017 11.9017 14.2512 14.2512 15.7959 15.7959 15.8470 15.8470 k = 0.3865 0.4019-0.0000 ( 1690 PWs) bands (ev): -7.0813 -7.0813 -7.0231 -7.0231 -3.7826 -3.7826 -3.3492 -3.3492 -2.3017 -2.3017 -0.7017 -0.7017 -0.5045 -0.5045 0.5090 0.5090 2.7181 2.7181 3.3234 3.3234 4.1381 4.1381 4.9697 4.9697 6.7240 6.7240 7.0231 7.0231 8.6743 8.6743 11.5756 11.5756 11.9451 11.9451 14.3053 14.3053 15.8049 15.8049 15.9232 15.9232 k = 0.3943 0.4102-0.0000 ( 1690 PWs) bands (ev): -7.0535 -7.0535 -6.9767 -6.9767 -3.7576 -3.7576 -3.4774 -3.4774 -2.3285 -2.3285 -0.7245 -0.7245 -0.4937 -0.4937 0.5814 0.5814 2.6141 2.6141 3.2584 3.2584 4.0526 4.0526 5.0804 5.0804 6.7121 6.7121 7.0946 7.0946 8.7282 8.7282 11.6678 11.6678 11.9864 11.9864 14.3582 14.3582 15.7627 15.7627 16.0484 16.0484 k = 0.4022 0.4184-0.0000 ( 1694 PWs) bands (ev): -7.0817 -7.0817 -6.8709 -6.8709 -3.7345 -3.7345 -3.6067 -3.6067 -2.3533 -2.3533 -0.7459 -0.7459 -0.4801 -0.4801 0.6576 0.6576 2.5132 2.5132 3.1888 3.1888 3.9745 3.9745 5.1856 5.1856 6.7010 6.7010 7.1617 7.1617 8.7784 8.7784 11.7575 11.7575 12.0255 12.0255 14.4095 14.4095 15.7205 15.7205 16.1708 16.1708 k = 0.4101 0.4266-0.0000 ( 1698 PWs) bands (ev): -7.1078 -7.1078 -6.7638 -6.7638 -3.7366 -3.7366 -3.7131 -3.7131 -2.3763 -2.3763 -0.7658 -0.7658 -0.4639 -0.4639 0.7369 0.7369 2.4161 2.4161 3.1144 3.1144 3.9041 3.9041 5.2851 5.2851 6.6907 6.6907 7.2240 7.2240 8.8249 8.8249 11.8443 11.8443 12.0621 12.0621 14.4591 14.4591 15.6788 15.6788 16.2898 16.2898 k = 0.4180 0.4348-0.0000 ( 1694 PWs) bands (ev): -7.1316 -7.1316 -6.6557 -6.6557 -3.8665 -3.8665 -3.6936 -3.6936 -2.3973 -2.3973 -0.7841 -0.7841 -0.4457 -0.4457 0.8190 0.8190 2.3234 2.3234 3.0353 3.0353 3.8419 3.8419 5.3781 5.3781 6.6812 6.6812 7.2819 7.2819 8.8678 8.8678 11.9276 11.9276 12.0963 12.0963 14.5067 14.5067 15.6379 15.6379 16.4045 16.4045 k = 0.4259 0.4430-0.0000 ( 1694 PWs) bands (ev): -7.1533 -7.1533 -6.5469 -6.5469 -3.9958 -3.9958 -3.6760 -3.6760 -2.4164 -2.4164 -0.8009 -0.8009 -0.4258 -0.4258 0.9031 0.9031 2.2357 2.2357 2.9520 2.9520 3.7876 3.7876 5.4644 5.4644 6.6725 6.6725 7.3350 7.3350 8.9068 8.9068 12.0066 12.0066 12.1278 12.1278 14.5519 14.5519 15.5983 15.5983 16.5138 16.5138 k = 0.4338 0.4512-0.0000 ( 1694 PWs) bands (ev): -7.1728 -7.1728 -6.4377 -6.4377 -4.1240 -4.1240 -3.6601 -3.6601 -2.4336 -2.4336 -0.8160 -0.8160 -0.4050 -0.4050 0.9887 0.9887 2.1536 2.1536 2.8652 2.8652 3.7408 3.7408 5.5434 5.5434 6.6646 6.6646 7.3831 7.3831 8.9421 8.9421 12.0807 12.0807 12.1566 12.1566 14.5943 14.5943 15.5604 15.5604 16.6170 16.6170 k = 0.4417 0.4594-0.0000 ( 1690 PWs) bands (ev): -7.1901 -7.1901 -6.3287 -6.3287 -4.2503 -4.2503 -3.6462 -3.6462 -2.4488 -2.4488 -0.8295 -0.8295 -0.3837 -0.3837 1.0753 1.0753 2.0778 2.0778 2.7761 2.7761 3.7012 3.7012 5.6151 5.6151 6.6577 6.6577 7.4262 7.4262 8.9735 8.9735 12.1490 12.1490 12.1825 12.1825 14.6334 14.6334 15.5249 15.5249 16.7130 16.7130 k = 0.4496 0.4676-0.0000 ( 1694 PWs) bands (ev): -7.2052 -7.2052 -6.2206 -6.2206 -4.3739 -4.3739 -3.6340 -3.6340 -2.4621 -2.4621 -0.8414 -0.8414 -0.3627 -0.3627 1.1617 1.1617 2.0091 2.0091 2.6861 2.6861 3.6680 3.6680 5.6783 5.6783 6.6515 6.6515 7.4641 7.4641 9.0009 9.0009 12.2044 12.2044 12.2118 12.2118 14.6689 14.6689 15.4922 15.4922 16.8003 16.8003 k = 0.4574 0.4758-0.0000 ( 1690 PWs) bands (ev): -7.2181 -7.2181 -6.1144 -6.1144 -4.4935 -4.4935 -3.6237 -3.6237 -2.4735 -2.4735 -0.8516 -0.8516 -0.3427 -0.3427 1.2469 1.2469 1.9483 1.9483 2.5969 2.5969 3.6407 3.6407 5.7331 5.7331 6.6462 6.6462 7.4967 7.4967 9.0246 9.0246 12.2248 12.2248 12.2661 12.2661 14.7002 14.7002 15.4631 15.4631 16.8781 16.8781 k = 0.4653 0.4840-0.0000 ( 1696 PWs) bands (ev): -7.2288 -7.2288 -6.0122 -6.0122 -4.6070 -4.6070 -3.6152 -3.6152 -2.4830 -2.4830 -0.8600 -0.8600 -0.3247 -0.3247 1.3292 1.3292 1.8962 1.8962 2.5106 2.5106 3.6187 3.6187 5.7791 5.7791 6.6418 6.6418 7.5239 7.5239 9.0442 9.0442 12.2413 12.2413 12.3129 12.3129 14.7270 14.7270 15.4378 15.4378 16.9451 16.9451 k = 0.4732 0.4922-0.0000 ( 1696 PWs) bands (ev): -7.2373 -7.2373 -5.9168 -5.9168 -4.7115 -4.7115 -3.6084 -3.6084 -2.4905 -2.4905 -0.8668 -0.8668 -0.3091 -0.3091 1.4058 1.4058 1.8536 1.8536 2.4305 2.4305 3.6017 3.6017 5.8161 5.8161 6.6382 6.6382 7.5457 7.5457 9.0598 9.0598 12.2545 12.2545 12.3510 12.3510 14.7489 14.7489 15.4169 15.4169 17.0000 17.0000 k = 0.4811 0.5004-0.0000 ( 1692 PWs) bands (ev): -7.2437 -7.2437 -5.8333 -5.8333 -4.8018 -4.8018 -3.6034 -3.6034 -2.4961 -2.4961 -0.8718 -0.8718 -0.2969 -0.2969 1.4724 1.4724 1.8212 1.8212 2.3610 2.3610 3.5894 3.5894 5.8439 5.8439 6.6355 6.6355 7.5619 7.5619 9.0714 9.0714 12.2643 12.2643 12.3800 12.3800 14.7655 14.7655 15.4010 15.4010 17.0420 17.0420 k = 0.4811 0.5004-0.0000 ( 1692 PWs) bands (ev): -7.2437 -7.2437 -5.8333 -5.8333 -4.8018 -4.8018 -3.6034 -3.6034 -2.4961 -2.4961 -0.8718 -0.8718 -0.2969 -0.2969 1.4724 1.4724 1.8212 1.8212 2.3610 2.3610 3.5894 3.5894 5.8439 5.8439 6.6355 6.6355 7.5619 7.5619 9.0714 9.0714 12.2643 12.2643 12.3800 12.3800 14.7655 14.7655 15.4010 15.4010 17.0420 17.0420 k = 0.4699 0.5004-0.0000 ( 1695 PWs) bands (ev): -7.2413 -7.2413 -5.8883 -5.8883 -4.7417 -4.7417 -3.6044 -3.6044 -2.4933 -2.4933 -0.8694 -0.8694 -0.3044 -0.3044 1.4287 1.4287 1.8429 1.8429 2.4077 2.4077 3.5980 3.5980 5.8255 5.8255 6.6386 6.6386 7.5502 7.5502 9.0634 9.0634 12.2520 12.2520 12.3611 12.3611 14.7530 14.7530 15.4164 15.4164 17.0112 17.0112 k = 0.4587 0.5004-0.0000 ( 1697 PWs) bands (ev): -7.2413 -7.2413 -5.9489 -5.9489 -4.6733 -4.6733 -3.6017 -3.6017 -2.4912 -2.4912 -0.8679 -0.8679 -0.3125 -0.3125 1.3805 1.3805 1.8711 1.8711 2.4616 2.4616 3.6100 3.6100 5.8017 5.8017 6.6450 6.6450 7.5335 7.5335 9.0523 9.0523 12.2238 12.2238 12.3400 12.3400 14.7343 14.7343 15.4438 15.4438 16.9679 16.9679 k = 0.4475 0.5004-0.0000 ( 1697 PWs) bands (ev): -7.2437 -7.2437 -6.0131 -6.0131 -4.5986 -4.5986 -3.5956 -3.5956 -2.4898 -2.4898 -0.8673 -0.8673 -0.3209 -0.3209 1.3293 1.3293 1.9053 1.9053 2.5211 2.5211 3.6253 3.6253 5.7727 5.7727 6.6546 6.6546 7.5118 7.5118 9.0384 9.0384 12.1784 12.1784 12.3195 12.3195 14.7093 14.7093 15.4822 15.4822 16.9141 16.9141 k = 0.4363 0.5004-0.0000 ( 1697 PWs) bands (ev): -7.2483 -7.2483 -6.0795 -6.0795 -4.5192 -4.5192 -3.5860 -3.5860 -2.4890 -2.4890 -0.8676 -0.8676 -0.3292 -0.3292 1.2766 1.2766 1.9454 1.9454 2.5850 2.5850 3.6440 3.6440 5.7381 5.7381 6.6673 6.6673 7.4850 7.4850 9.0214 9.0214 12.1175 12.1175 12.2991 12.2991 14.6782 14.6782 15.5304 15.5304 16.8517 16.8517 k = 0.4252 0.5004-0.0000 ( 1697 PWs) bands (ev): -7.2552 -7.2552 -6.1471 -6.1471 -4.4362 -4.4362 -3.5734 -3.5734 -2.4887 -2.4887 -0.8688 -0.8688 -0.3369 -0.3369 1.2232 1.2232 1.9910 1.9910 2.6520 2.6520 3.6660 3.6660 5.6986 5.6986 6.6833 6.6833 7.4534 7.4534 9.0016 9.0016 12.0440 12.0440 12.2776 12.2776 14.6408 14.6408 15.5870 15.5870 16.7834 16.7834 k = 0.4140 0.5004-0.0000 ( 1697 PWs) bands (ev): -7.2641 -7.2641 -6.2152 -6.2152 -4.3504 -4.3504 -3.5577 -3.5577 -2.4888 -2.4888 -0.8709 -0.8709 -0.3436 -0.3436 1.1697 1.1697 2.0416 2.0416 2.7217 2.7217 3.6911 3.6911 5.6539 5.6539 6.7024 6.7024 7.4169 7.4169 8.9788 8.9788 11.9604 11.9604 12.2541 12.2541 14.5972 14.5972 15.6505 15.6505 16.7107 16.7107 k = 0.4028 0.5004-0.0000 ( 1699 PWs) bands (ev): -7.2749 -7.2749 -6.2832 -6.2832 -4.2626 -4.2626 -3.5395 -3.5395 -2.4892 -2.4892 -0.8740 -0.8740 -0.3487 -0.3487 1.1167 1.1167 2.0970 2.0970 2.7933 2.7933 3.7193 3.7193 5.6043 5.6043 6.7246 6.7246 7.3756 7.3756 8.9531 8.9531 11.8687 11.8687 12.2281 12.2281 14.5475 14.5475 15.7195 15.7195 16.6356 16.6356 k = 0.3916 0.5004-0.0000 ( 1696 PWs) bands (ev): -7.2875 -7.2875 -6.3507 -6.3507 -4.1732 -4.1732 -3.5189 -3.5189 -2.4896 -2.4896 -0.8780 -0.8780 -0.3518 -0.3518 1.0646 1.0646 2.1568 2.1568 2.8666 2.8666 3.7505 3.7505 5.5497 5.5497 6.7499 6.7499 7.3296 7.3296 8.9245 8.9245 11.7705 11.7705 12.1996 12.1996 14.4917 14.4917 15.7929 15.7929 16.5594 16.5594 k = 0.3804 0.5004-0.0000 ( 1695 PWs) bands (ev): -7.3018 -7.3018 -6.4175 -6.4175 -4.0828 -4.0828 -3.4962 -3.4962 -2.4900 -2.4900 -0.8830 -0.8830 -0.3523 -0.3523 1.0138 1.0138 2.2206 2.2206 2.9410 2.9410 3.7845 3.7845 5.4904 5.4904 6.7780 6.7780 7.2792 7.2792 8.8932 8.8932 11.6672 11.6672 12.1686 12.1686 14.4298 14.4298 15.8694 15.8694 16.4834 16.4834 k = 0.3692 0.5004-0.0000 ( 1693 PWs) bands (ev): -7.3175 -7.3175 -6.4834 -6.4834 -3.9918 -3.9918 -3.4719 -3.4719 -2.4899 -2.4899 -0.8888 -0.8888 -0.3500 -0.3500 0.9644 0.9644 2.2881 2.2881 3.0162 3.0162 3.8213 3.8213 5.4264 5.4264 6.8089 6.8089 7.2242 7.2242 8.8591 8.8591 11.5598 11.5598 12.1352 12.1352 14.3619 14.3619 15.9480 15.9480 16.4088 16.4088 k = 0.3580 0.5004-0.0000 ( 1693 PWs) bands (ev): -7.3345 -7.3345 -6.5481 -6.5481 -3.9008 -3.9008 -3.4463 -3.4463 -2.4891 -2.4891 -0.8955 -0.8955 -0.3442 -0.3442 0.9167 0.9167 2.3590 2.3590 3.0917 3.0917 3.8608 3.8608 5.3580 5.3580 6.8425 6.8425 7.1651 7.1651 8.8223 8.8223 11.4495 11.4495 12.0997 12.0997 14.2883 14.2883 16.0278 16.0278 16.3363 16.3363 k = 0.3468 0.5004-0.0000 ( 1694 PWs) bands (ev): -7.3526 -7.3526 -6.6115 -6.6115 -3.8104 -3.8104 -3.4198 -3.4198 -2.4874 -2.4874 -0.9031 -0.9031 -0.3347 -0.3347 0.8710 0.8710 2.4329 2.4329 3.1673 3.1673 3.9027 3.9027 5.2853 5.2853 6.8788 6.8788 7.1019 7.1019 8.7827 8.7827 11.3368 11.3368 12.0622 12.0622 14.2091 14.2091 16.1079 16.1079 16.2666 16.2666 k = 0.3357 0.5004-0.0000 ( 1691 PWs) bands (ev): -7.3716 -7.3716 -6.6735 -6.6735 -3.7210 -3.7210 -3.3927 -3.3927 -2.4840 -2.4840 -0.9113 -0.9113 -0.3211 -0.3211 0.8274 0.8274 2.5096 2.5096 3.2424 3.2424 3.9472 3.9472 5.2086 5.2086 6.9175 6.9175 7.0350 7.0350 8.7404 8.7404 11.2228 11.2228 12.0230 12.0230 14.1248 14.1248 16.1874 16.1874 16.2005 16.2005 k = 0.3245 0.5004-0.0000 ( 1692 PWs) bands (ev): -7.3913 -7.3913 -6.7341 -6.7341 -3.6335 -3.6335 -3.3654 -3.3654 -2.4786 -2.4786 -0.9202 -0.9202 -0.3031 -0.3031 0.7861 0.7861 2.5887 2.5887 3.3165 3.3165 3.9940 3.9940 5.1280 5.1280 6.9586 6.9586 6.9647 6.9647 8.6956 8.6956 11.1078 11.1078 11.9824 11.9824 14.0355 14.0355 16.1376 16.1376 16.2662 16.2662 k = 0.3133 0.5004-0.0000 ( 1694 PWs) bands (ev): -7.4117 -7.4117 -6.7932 -6.7932 -3.5486 -3.5486 -3.3382 -3.3382 -2.4705 -2.4705 -0.9296 -0.9296 -0.2803 -0.2803 0.7473 0.7473 2.6699 2.6699 3.3890 3.3890 4.0432 4.0432 5.0437 5.0437 6.8913 6.8913 7.0019 7.0019 8.6482 8.6482 10.9924 10.9924 11.9405 11.9405 13.9417 13.9417 16.0789 16.0789 16.3429 16.3429 k = 0.3021 0.5004-0.0000 ( 1694 PWs) bands (ev): -7.4324 -7.4324 -6.8507 -6.8507 -3.4674 -3.4674 -3.3115 -3.3115 -2.4588 -2.4588 -0.9395 -0.9395 -0.2526 -0.2526 0.7113 0.7113 2.7528 2.7528 3.4593 3.4593 4.0950 4.0950 4.9561 4.9561 6.8156 6.8156 7.0472 7.0472 8.5982 8.5982 10.8772 10.8772 11.8977 11.8977 13.8441 13.8441 16.0243 16.0243 16.4172 16.4172 k = 0.2909 0.5004-0.0000 ( 1694 PWs) bands (ev): -7.4534 -7.4534 -6.9065 -6.9065 -3.3908 -3.3908 -3.2855 -3.2855 -2.4426 -2.4426 -0.9498 -0.9498 -0.2198 -0.2198 0.6781 0.6781 2.8371 2.8371 3.5264 3.5264 4.1494 4.1494 4.8655 4.8655 6.7377 6.7377 7.0944 7.0944 8.5459 8.5459 10.7625 10.7625 11.8541 11.8541 13.7429 13.7429 15.9739 15.9739 16.4883 16.4883 k = 0.2797 0.5004-0.0000 ( 1696 PWs) bands (ev): -7.4744 -7.4744 -6.9607 -6.9607 -3.3201 -3.3201 -3.2606 -3.2606 -2.4209 -2.4209 -0.9603 -0.9603 -0.1817 -0.1817 0.6481 0.6481 2.9223 2.9223 3.5894 3.5894 4.2066 4.2066 4.7724 4.7724 6.6584 6.6584 7.1433 7.1433 8.4912 8.4912 10.6486 10.6486 11.8101 11.8101 13.6387 13.6387 15.9278 15.9278 16.5555 16.5555 k = 0.2685 0.5004-0.0000 ( 1700 PWs) bands (ev): -7.4954 -7.4954 -7.0131 -7.0131 -3.2563 -3.2563 -3.2369 -3.2369 -2.3928 -2.3928 -0.9710 -0.9710 -0.1382 -0.1382 0.6214 0.6214 3.0078 3.0078 3.6471 3.6471 4.2670 4.2670 4.6773 4.6773 6.5783 6.5783 7.1937 7.1937 8.4341 8.4341 10.5358 10.5358 11.7658 11.7658 13.5319 13.5319 15.8858 15.8858 16.6181 16.6181 k = 0.2573 0.5004-0.0000 ( 1696 PWs) bands (ev): -7.5162 -7.5162 -7.0638 -7.0638 -3.2146 -3.2146 -3.2004 -3.2004 -2.3577 -2.3577 -0.9819 -0.9819 -0.0892 -0.0892 0.5984 0.5984 3.0931 3.0931 3.6984 3.6984 4.3308 4.3308 4.5809 4.5809 6.4983 6.4983 7.2454 7.2454 8.3749 8.3749 10.4244 10.4244 11.7217 11.7217 13.4233 13.4233 15.8481 15.8481 16.6752 16.6752 k = 0.2461 0.5004-0.0000 ( 1698 PWs) bands (ev): -7.5367 -7.5367 -7.1128 -7.1128 -3.1939 -3.1939 -3.1529 -3.1529 -2.3151 -2.3151 -0.9928 -0.9928 -0.0346 -0.0346 0.5793 0.5793 3.1767 3.1767 3.7421 3.7421 4.3981 4.3981 4.4843 4.4843 6.4190 6.4190 7.2981 7.2981 8.3136 8.3136 10.3146 10.3146 11.6779 11.6779 13.3131 13.3131 15.8146 15.8146 16.7259 16.7259 k = 0.2350 0.5004-0.0000 ( 1700 PWs) bands (ev): -7.5567 -7.5567 -7.1599 -7.1599 -3.1748 -3.1748 -3.1139 -3.1139 -2.2655 -2.2655 -1.0037 -1.0037 0.0254 0.0254 0.5644 0.5644 3.2573 3.2573 3.7769 3.7769 4.3892 4.3892 4.4692 4.4692 6.3414 6.3414 7.3516 7.3516 8.2505 8.2505 10.2065 10.2065 11.6347 11.6347 13.2019 13.2019 15.7851 15.7851 16.7692 16.7692 k = 0.2238 0.5004-0.0000 ( 1700 PWs) bands (ev): -7.5761 -7.5761 -7.2052 -7.2052 -3.1573 -3.1573 -3.0828 -3.0828 -2.2094 -2.2094 -1.0146 -1.0146 0.0908 0.0908 0.5541 0.5541 3.3321 3.3321 3.8019 3.8019 4.2982 4.2982 4.5439 4.5439 6.2663 6.2663 7.4055 7.4055 8.1857 8.1857 10.1004 10.1004 11.5923 11.5923 13.0901 13.0901 15.7598 15.7598 16.8039 16.8039 k = 0.2126 0.5004-0.0000 ( 1697 PWs) bands (ev): -7.5948 -7.5948 -7.2487 -7.2487 -3.1415 -3.1415 -3.0589 -3.0589 -2.1481 -2.1481 -1.0254 -1.0254 0.1617 0.1617 0.5486 0.5486 3.3966 3.3966 3.8161 3.8161 4.2158 4.2158 4.6222 4.6222 6.1946 6.1946 7.4592 7.4592 8.1198 8.1198 9.9965 9.9965 11.5512 11.5512 12.9783 12.9783 15.7385 15.7385 16.8293 16.8293 k = 0.2014 0.5004-0.0000 ( 1696 PWs) bands (ev): -7.6128 -7.6128 -7.2904 -7.2904 -3.1274 -3.1274 -3.0410 -3.0410 -2.0831 -2.0831 -1.0362 -1.0362 0.2377 0.2377 0.5484 0.5484 3.4434 3.4434 3.8188 3.8188 4.1496 4.1496 4.7037 4.7037 6.1272 6.1272 7.5120 7.5120 8.0533 8.0533 9.8949 9.8949 11.5114 11.5114 12.8668 12.8668 15.7213 15.7213 16.8443 16.8443 k = 0.1902 0.5004-0.0000 ( 1688 PWs) bands (ev): -7.6299 -7.6299 -7.3302 -7.3302 -3.1149 -3.1149 -3.0281 -3.0281 -2.0158 -2.0158 -1.0468 -1.0468 0.3189 0.3189 0.5538 0.5538 3.4620 3.4620 3.8094 3.8094 4.1101 4.1101 4.7881 4.7881 6.0647 6.0647 7.5622 7.5622 7.9880 7.9880 9.7957 9.7957 11.4732 11.4732 12.7561 12.7561 15.7081 15.7081 16.8487 16.8487 k = 0.1790 0.5004-0.0000 ( 1686 PWs) bands (ev): -7.6461 -7.6461 -7.3682 -7.3682 -3.1039 -3.1039 -3.0192 -3.0192 -1.9475 -1.9475 -1.0574 -1.0574 0.4048 0.4048 0.5652 0.5652 3.4438 3.4438 3.7876 3.7876 4.1056 4.1056 4.8750 4.8750 6.0076 6.0076 7.6060 7.6060 7.9272 7.9272 9.6991 9.6991 11.4370 11.4370 12.6467 12.6467 15.6988 15.6988 16.8423 16.8423 k = 0.1678 0.5004-0.0000 ( 1688 PWs) bands (ev): -7.6612 -7.6612 -7.4043 -7.4043 -3.0943 -3.0943 -3.0134 -3.0134 -1.8796 -1.8796 -1.0679 -1.0679 0.4954 0.4954 0.5830 0.5830 3.3902 3.3902 3.7534 3.7534 4.1349 4.1349 4.9638 4.9638 5.9559 5.9559 7.6341 7.6341 7.8803 7.8803 9.6052 9.6052 11.4030 11.4030 12.5388 12.5388 15.6935 15.6935 16.8256 16.8256 k = 0.1566 0.5004-0.0000 ( 1684 PWs) bands (ev): -7.6752 -7.6752 -7.4385 -7.4385 -3.0860 -3.0860 -3.0101 -3.0101 -1.8130 -1.8130 -1.0783 -1.0783 0.5905 0.5905 0.6075 0.6075 3.3104 3.3104 3.7069 3.7069 4.1890 4.1890 5.0544 5.0544 5.9098 5.9098 7.6294 7.6294 7.8644 7.8644 9.5142 9.5142 11.3715 11.3715 12.4329 12.4329 15.6922 15.6922 16.7995 16.7995 k = 0.1454 0.5004-0.0000 ( 1675 PWs) bands (ev): -7.6880 -7.6880 -7.4709 -7.4709 -3.0788 -3.0788 -3.0086 -3.0086 -1.7486 -1.7486 -1.0886 -1.0886 0.6390 0.6390 0.6898 0.6898 3.2141 3.2141 3.6488 3.6488 4.2582 4.2582 5.1459 5.1459 5.8691 5.8691 7.5870 7.5870 7.8843 7.8843 9.4262 9.4262 11.3429 11.3429 12.3295 12.3295 15.6949 15.6949 16.7652 16.7652 k = 0.1343 0.5004-0.0000 ( 1675 PWs) bands (ev): -7.6995 -7.6995 -7.5014 -7.5014 -3.0727 -3.0727 -3.0085 -3.0085 -1.6873 -1.6873 -1.0988 -1.0988 0.6777 0.6777 0.7928 0.7928 3.1075 3.1075 3.5797 3.5797 4.3358 4.3358 5.2375 5.2375 5.8333 5.8333 7.5224 7.5224 7.9242 7.9242 9.3414 9.3414 11.3174 11.3174 12.2288 12.2288 15.7015 15.7015 16.7240 16.7240 k = 0.1231 0.5004-0.0000 ( 1677 PWs) bands (ev): -7.7098 -7.7098 -7.5301 -7.5301 -3.0675 -3.0675 -3.0095 -3.0095 -1.6295 -1.6295 -1.1091 -1.1091 0.7237 0.7237 0.8995 0.8995 2.9945 2.9945 3.5006 3.5006 4.4182 4.4182 5.3281 5.3281 5.8026 5.8026 7.4476 7.4476 7.9723 7.9723 9.2596 9.2596 11.2953 11.2953 12.1313 12.1313 15.7119 15.7119 16.6773 16.6773 k = 0.1119 0.5004-0.0000 ( 1677 PWs) bands (ev): -7.7187 -7.7187 -7.5569 -7.5569 -3.0631 -3.0631 -3.0112 -3.0112 -1.5757 -1.5757 -1.1194 -1.1194 0.7772 0.7772 1.0095 1.0095 2.8776 2.8776 3.4124 3.4124 4.5030 4.5030 5.4154 5.4154 5.7780 5.7780 7.3673 7.3673 8.0237 8.0237 9.1812 9.1812 11.2769 11.2769 12.0373 12.0373 15.7263 15.7263 16.6263 16.6263 k = 0.1007 0.5004-0.0000 ( 1672 PWs) bands (ev): -7.7262 -7.7262 -7.5818 -7.5818 -3.0593 -3.0593 -3.0135 -3.0135 -1.5260 -1.5260 -1.1298 -1.1298 0.8379 0.8379 1.1225 1.1225 2.7582 2.7582 3.3164 3.3164 4.5888 4.5888 5.4935 5.4935 5.7640 5.7640 7.2836 7.2836 8.0765 8.0765 9.1060 9.1060 11.2627 11.2627 11.9475 11.9475 15.7445 15.7445 16.5722 16.5722 k = 0.0895 0.5004-0.0000 ( 1676 PWs) bands (ev): -7.7323 -7.7323 -7.6049 -7.6049 -3.0561 -3.0561 -3.0161 -3.0161 -1.4805 -1.4805 -1.1404 -1.1404 0.9059 0.9059 1.2379 1.2379 2.6375 2.6375 3.2135 3.2135 4.6745 4.6745 5.5491 5.5491 5.7727 5.7727 7.1973 7.1973 8.1298 8.1298 9.0340 9.0340 11.2528 11.2528 11.8618 11.8618 15.7664 15.7664 16.5158 16.5158 k = 0.0783 0.5004-0.0000 ( 1676 PWs) bands (ev): -7.7368 -7.7368 -7.6261 -7.6261 -3.0533 -3.0533 -3.0189 -3.0189 -1.4393 -1.4393 -1.1513 -1.1513 0.9806 0.9806 1.3554 1.3554 2.5164 2.5164 3.1049 3.1049 4.7591 4.7591 5.5670 5.5670 5.8181 5.8181 7.1091 7.1091 8.1830 8.1830 8.9652 8.9652 11.2477 11.2477 11.7807 11.7807 15.7922 15.7922 16.4581 16.4581 k = 0.0671 0.5004-0.0000 ( 1679 PWs) bands (ev): -7.7398 -7.7398 -7.6455 -7.6455 -3.0508 -3.0508 -3.0218 -3.0218 -1.4021 -1.4021 -1.1626 -1.1626 1.0619 1.0619 1.4744 1.4744 2.3960 2.3960 2.9914 2.9914 4.8423 4.8423 5.5543 5.5543 5.8920 5.8920 7.0190 7.0190 8.2361 8.2361 8.8992 8.8992 11.2475 11.2475 11.7046 11.7046 15.8215 15.8215 16.3997 16.3997 k = 0.0559 0.5004-0.0000 ( 1680 PWs) bands (ev): -7.7413 -7.7413 -7.6631 -7.6631 -3.0485 -3.0485 -3.0247 -3.0247 -1.3686 -1.3686 -1.1744 -1.1744 1.1491 1.1491 1.5935 1.5935 2.2776 2.2776 2.8742 2.8742 4.9232 4.9232 5.5258 5.5258 5.9790 5.9790 6.9276 6.9276 8.2889 8.2889 8.8361 8.8361 11.2528 11.2528 11.6337 11.6337 15.8545 15.8545 16.3414 16.3414 k = 0.0448 0.5004-0.0000 ( 1682 PWs) bands (ev): -7.7411 -7.7411 -7.6788 -7.6788 -3.0463 -3.0463 -3.0275 -3.0275 -1.3388 -1.3388 -1.1869 -1.1869 1.2418 1.2418 1.7097 1.7097 2.1644 2.1644 2.7539 2.7539 5.0016 5.0016 5.4883 5.4883 6.0714 6.0714 6.8349 6.8349 8.3414 8.3414 8.7755 8.7755 11.2636 11.2636 11.5685 11.5685 15.8909 15.8909 16.2837 16.2837 k = 0.0336 0.5004-0.0000 ( 1688 PWs) bands (ev): -7.7394 -7.7394 -7.6928 -7.6928 -3.0442 -3.0442 -3.0303 -3.0303 -1.3121 -1.3121 -1.2003 -1.2003 1.3393 1.3393 1.8099 1.8099 2.0697 2.0697 2.6314 2.6314 5.0769 5.0769 5.4443 5.4443 6.1662 6.1662 6.7411 6.7411 8.3936 8.3936 8.7170 8.7170 11.2802 11.2802 11.5088 11.5088 15.9306 15.9306 16.2271 16.2271 k = 0.0224 0.5004-0.0000 ( 1690 PWs) bands (ev): -7.7359 -7.7359 -7.7049 -7.7049 -3.0421 -3.0421 -3.0329 -3.0329 -1.2883 -1.2883 -1.2147 -1.2147 1.4408 1.4408 1.8322 1.8322 2.0557 2.0557 2.5076 2.5076 5.1488 5.1488 5.3948 5.3948 6.2622 6.2622 6.6464 6.6464 8.4459 8.4459 8.6604 8.6604 11.3028 11.3028 11.4553 11.4553 15.9734 15.9734 16.1720 16.1720 k = 0.0112 0.5004-0.0000 ( 1692 PWs) bands (ev): -7.7307 -7.7307 -7.7153 -7.7153 -3.0400 -3.0400 -3.0354 -3.0354 -1.2669 -1.2669 -1.2305 -1.2305 1.5455 1.5455 1.7542 1.7542 2.1447 2.1447 2.3836 2.3836 5.2169 5.2169 5.3401 5.3401 6.3586 6.3586 6.5509 6.5509 8.4985 8.4985 8.6054 8.6054 11.3316 11.3316 11.4078 11.4078 16.0191 16.0191 16.1187 16.1187 k = 0.0000 0.5004-0.0000 ( 1690 PWs) bands (ev): -7.7239 -7.7239 -7.7239 -7.7239 -3.0377 -3.0377 -3.0377 -3.0377 -1.2478 -1.2478 -1.2478 -1.2478 1.6515 1.6515 1.6515 1.6515 2.2611 2.2611 2.2611 2.2611 5.2807 5.2807 5.2807 5.2807 6.4549 6.4549 6.4549 6.4549 8.5515 8.5515 8.5515 8.5515 11.3666 11.3666 11.3666 11.3666 16.0677 16.0677 16.0677 16.0677 k = 0.0000 0.5004-0.0000 ( 1690 PWs) bands (ev): -7.7239 -7.7239 -7.7239 -7.7239 -3.0377 -3.0377 -3.0377 -3.0377 -1.2478 -1.2478 -1.2478 -1.2478 1.6515 1.6515 1.6515 1.6515 2.2611 2.2611 2.2611 2.2611 5.2807 5.2807 5.2807 5.2807 6.4549 6.4549 6.4549 6.4549 8.5515 8.5515 8.5515 8.5515 11.3666 11.3666 11.3666 11.3666 16.0677 16.0677 16.0677 16.0677 k = 0.0000 0.5004 0.0113 ( 1690 PWs) bands (ev): -7.7229 -7.7229 -7.7229 -7.7229 -3.0467 -3.0467 -3.0467 -3.0467 -1.2386 -1.2386 -1.2386 -1.2386 1.6526 1.6526 1.6526 1.6526 2.2621 2.2621 2.2621 2.2621 5.2777 5.2777 5.2778 5.2778 6.4530 6.4530 6.4531 6.4531 8.5523 8.5523 8.5524 8.5524 11.3681 11.3681 11.3682 11.3682 16.0687 16.0687 16.0687 16.0687 k = 0.0000 0.5004 0.0227 ( 1688 PWs) bands (ev): -7.7198 -7.7198 -7.7198 -7.7198 -3.0731 -3.0731 -3.0730 -3.0730 -1.2117 -1.2117 -1.2117 -1.2117 1.6561 1.6561 1.6561 1.6561 2.2650 2.2650 2.2651 2.2651 5.2687 5.2687 5.2688 5.2688 6.4474 6.4474 6.4475 6.4475 8.5547 8.5547 8.5549 8.5549 11.3728 11.3728 11.3729 11.3729 16.0718 16.0718 16.0718 16.0718 k = 0.0000 0.5004 0.0340 ( 1688 PWs) bands (ev): -7.7148 -7.7148 -7.7148 -7.7148 -3.1153 -3.1153 -3.1152 -3.1152 -1.1686 -1.1686 -1.1686 -1.1686 1.6618 1.6618 1.6619 1.6619 2.2700 2.2700 2.2700 2.2700 5.2539 5.2539 5.2540 5.2540 6.4379 6.4379 6.4381 6.4381 8.5586 8.5586 8.5589 8.5589 11.3806 11.3806 11.3807 11.3807 16.0769 16.0769 16.0770 16.0770 k = 0.0000 0.5004 0.0454 ( 1686 PWs) bands (ev): -7.7077 -7.7077 -7.7077 -7.7077 -3.1711 -3.1711 -3.1710 -3.1710 -1.1116 -1.1116 -1.1115 -1.1115 1.6698 1.6698 1.6699 1.6699 2.2770 2.2770 2.2771 2.2771 5.2335 5.2335 5.2336 5.2336 6.4246 6.4246 6.4248 6.4248 8.5638 8.5638 8.5641 8.5641 11.3913 11.3913 11.3915 11.3915 16.0841 16.0841 16.0841 16.0841 k = 0.0000 0.5004 0.0567 ( 1680 PWs) bands (ev): -7.6986 -7.6986 -7.6986 -7.6986 -3.2383 -3.2383 -3.2382 -3.2382 -1.0430 -1.0430 -1.0429 -1.0429 1.6799 1.6799 1.6800 1.6800 2.2862 2.2862 2.2864 2.2864 5.2078 5.2078 5.2079 5.2079 6.4076 6.4076 6.4079 6.4079 8.5700 8.5700 8.5704 8.5704 11.4049 11.4049 11.4052 11.4052 16.0931 16.0931 16.0932 16.0932 k = 0.0000 0.5004 0.0680 ( 1678 PWs) bands (ev): -7.6875 -7.6875 -7.6875 -7.6875 -3.3145 -3.3145 -3.3144 -3.3144 -0.9652 -0.9652 -0.9651 -0.9651 1.6919 1.6919 1.6920 1.6920 2.2978 2.2978 2.2980 2.2980 5.1773 5.1773 5.1774 5.1774 6.3869 6.3869 6.3872 6.3872 8.5769 8.5769 8.5774 8.5774 11.4212 11.4212 11.4215 11.4215 16.1041 16.1041 16.1041 16.1041 k = 0.0000 0.5004 0.0794 ( 1676 PWs) bands (ev): -7.6744 -7.6744 -7.6744 -7.6744 -3.3978 -3.3978 -3.3978 -3.3978 -0.8803 -0.8803 -0.8802 -0.8802 1.7057 1.7057 1.7058 1.7058 2.3120 2.3120 2.3121 2.3121 5.1422 5.1422 5.1424 5.1424 6.3624 6.3624 6.3628 6.3628 8.5841 8.5841 8.5846 8.5846 11.4401 11.4401 11.4404 11.4404 16.1168 16.1168 16.1169 16.1169 k = 0.0000 0.5004 0.0907 ( 1678 PWs) bands (ev): -7.6594 -7.6594 -7.6594 -7.6594 -3.4866 -3.4866 -3.4865 -3.4865 -0.7900 -0.7900 -0.7899 -0.7899 1.7211 1.7211 1.7211 1.7211 2.3289 2.3289 2.3290 2.3290 5.1030 5.1030 5.1032 5.1032 6.3344 6.3344 6.3347 6.3347 8.5912 8.5912 8.5917 8.5917 11.4613 11.4613 11.4617 11.4617 16.1312 16.1312 16.1312 16.1312 k = 0.0000 0.5004 0.1020 ( 1676 PWs) bands (ev): -7.6424 -7.6424 -7.6424 -7.6424 -3.5794 -3.5794 -3.5793 -3.5793 -0.6959 -0.6959 -0.6957 -0.6957 1.7377 1.7377 1.7378 1.7378 2.3488 2.3488 2.3490 2.3490 5.0605 5.0605 5.0607 5.0607 6.3028 6.3028 6.3031 6.3031 8.5978 8.5978 8.5983 8.5983 11.4847 11.4847 11.4851 11.4851 16.1472 16.1472 16.1473 16.1473 k = 0.0000 0.5004 0.1134 ( 1684 PWs) bands (ev): -7.6234 -7.6234 -7.6234 -7.6234 -3.6753 -3.6753 -3.6752 -3.6752 -0.5992 -0.5992 -0.5990 -0.5990 1.7552 1.7552 1.7553 1.7553 2.3721 2.3721 2.3723 2.3723 5.0147 5.0147 5.0150 5.0150 6.2677 6.2677 6.2680 6.2680 8.6033 8.6033 8.6038 8.6038 11.5099 11.5099 11.5103 11.5103 16.1647 16.1647 16.1648 16.1648 k = 0.0000 0.5004 0.1247 ( 1682 PWs) bands (ev): -7.6025 -7.6025 -7.6025 -7.6025 -3.7731 -3.7731 -3.7731 -3.7731 -0.5008 -0.5008 -0.5006 -0.5006 1.7734 1.7734 1.7735 1.7735 2.3991 2.3991 2.3993 2.3993 4.9666 4.9666 4.9669 4.9669 6.2294 6.2294 6.2296 6.2296 8.6074 8.6074 8.6080 8.6080 11.5368 11.5368 11.5372 11.5372 16.1837 16.1837 16.1839 16.1839 k = 0.0000 0.5004 0.1361 ( 1684 PWs) bands (ev): -7.5798 -7.5798 -7.5797 -7.5797 -3.8724 -3.8724 -3.8723 -3.8723 -0.4018 -0.4018 -0.4016 -0.4016 1.7918 1.7918 1.7918 1.7918 2.4302 2.4302 2.4303 2.4303 4.9163 4.9163 4.9166 4.9166 6.1879 6.1879 6.1882 6.1882 8.6097 8.6097 8.6103 8.6103 11.5652 11.5652 11.5656 11.5656 16.2041 16.2041 16.2043 16.2043 k = 0.0000 0.5004 0.1474 ( 1680 PWs) bands (ev): -7.5551 -7.5551 -7.5551 -7.5551 -3.9724 -3.9724 -3.9724 -3.9724 -0.3027 -0.3027 -0.3026 -0.3026 1.8100 1.8100 1.8100 1.8100 2.4656 2.4656 2.4658 2.4658 4.8645 4.8645 4.8649 4.8649 6.1434 6.1434 6.1436 6.1436 8.6098 8.6098 8.6103 8.6103 11.5947 11.5947 11.5951 11.5951 16.2258 16.2258 16.2260 16.2260 k = 0.0000 0.5004 0.1587 ( 1686 PWs) bands (ev): -7.5287 -7.5287 -7.5286 -7.5286 -4.0728 -4.0728 -4.0727 -4.0727 -0.2044 -0.2044 -0.2043 -0.2043 1.8275 1.8275 1.8276 1.8276 2.5058 2.5058 2.5060 2.5060 4.8116 4.8116 4.8121 4.8121 6.0960 6.0960 6.0962 6.0962 8.6074 8.6074 8.6079 8.6079 11.6251 11.6251 11.6255 11.6255 16.2487 16.2487 16.2489 16.2489 k = 0.0000 0.5004 0.1701 ( 1686 PWs) bands (ev): -7.5004 -7.5004 -7.5004 -7.5004 -4.1730 -4.1730 -4.1730 -4.1730 -0.1072 -0.1072 -0.1071 -0.1071 1.8441 1.8441 1.8441 1.8441 2.5509 2.5509 2.5511 2.5511 4.7581 4.7581 4.7586 4.7586 6.0459 6.0459 6.0460 6.0460 8.6021 8.6021 8.6026 8.6026 11.6561 11.6561 11.6566 11.6566 16.2728 16.2728 16.2731 16.2731 k = 0.0000 0.5004 0.1814 ( 1690 PWs) bands (ev): -7.4704 -7.4704 -7.4704 -7.4704 -4.2728 -4.2728 -4.2728 -4.2728 -0.0117 -0.0117 -0.0116 -0.0116 1.8592 1.8592 1.8593 1.8593 2.6012 2.6012 2.6014 2.6014 4.7043 4.7043 4.7049 4.7049 5.9931 5.9931 5.9932 5.9932 8.5939 8.5939 8.5944 8.5944 11.6876 11.6876 11.6880 11.6880 16.2981 16.2981 16.2984 16.2984 k = 0.0000 0.5004 0.1927 ( 1688 PWs) bands (ev): -7.4388 -7.4388 -7.4387 -7.4387 -4.3718 -4.3718 -4.3718 -4.3718 0.0818 0.0818 0.0819 0.0819 1.8728 1.8728 1.8729 1.8729 2.6568 2.6568 2.6569 2.6569 4.6508 4.6508 4.6514 4.6514 5.9380 5.9380 5.9380 5.9380 8.5827 8.5827 8.5832 8.5832 11.7192 11.7192 11.7196 11.7196 16.3244 16.3244 16.3248 16.3248 k = 0.0000 0.5004 0.2041 ( 1688 PWs) bands (ev): -7.4055 -7.4055 -7.4055 -7.4055 -4.4698 -4.4698 -4.4697 -4.4697 0.1729 0.1729 0.1730 0.1730 1.8844 1.8844 1.8846 1.8846 2.7175 2.7175 2.7176 2.7176 4.5979 4.5979 4.5986 4.5986 5.8804 5.8804 5.8804 5.8804 8.5685 8.5685 8.5688 8.5688 11.7507 11.7507 11.7512 11.7512 16.3519 16.3519 16.3523 16.3523 k = 0.0000 0.5004 0.2154 ( 1686 PWs) bands (ev): -7.3706 -7.3706 -7.3706 -7.3706 -4.5665 -4.5665 -4.5664 -4.5664 0.2614 0.2614 0.2615 0.2615 1.8940 1.8940 1.8942 1.8942 2.7833 2.7833 2.7834 2.7834 4.5461 4.5461 4.5469 4.5469 5.8206 5.8206 5.8207 5.8207 8.5512 8.5512 8.5515 8.5515 11.7820 11.7820 11.7824 11.7824 16.3803 16.3803 16.3807 16.3807 k = 0.0000 0.5004 0.2268 ( 1684 PWs) bands (ev): -7.3344 -7.3344 -7.3344 -7.3344 -4.6616 -4.6616 -4.6615 -4.6615 0.3471 0.3471 0.3472 0.3472 1.9014 1.9014 1.9017 1.9017 2.8539 2.8539 2.8540 2.8540 4.4958 4.4958 4.4966 4.4966 5.7588 5.7588 5.7589 5.7589 8.5311 8.5311 8.5314 8.5314 11.8127 11.8127 11.8131 11.8131 16.4094 16.4094 16.4099 16.4099 k = 0.0000 0.5004 0.2381 ( 1684 PWs) bands (ev): -7.2969 -7.2969 -7.2968 -7.2968 -4.7549 -4.7549 -4.7548 -4.7548 0.4298 0.4298 0.4298 0.4298 1.9065 1.9065 1.9068 1.9068 2.9289 2.9289 2.9290 2.9290 4.4473 4.4473 4.4481 4.4481 5.6948 5.6948 5.6950 5.6950 8.5083 8.5083 8.5086 8.5086 11.8426 11.8426 11.8430 11.8430 16.4390 16.4390 16.4395 16.4395 k = 0.0000 0.5004 0.2494 ( 1684 PWs) bands (ev): -7.2581 -7.2581 -7.2581 -7.2581 -4.8462 -4.8462 -4.8461 -4.8461 0.5092 0.5092 0.5093 0.5093 1.9093 1.9093 1.9097 1.9097 3.0080 3.0080 3.0081 3.0081 4.4010 4.4010 4.4019 4.4019 5.6288 5.6288 5.6291 5.6291 8.4834 8.4834 8.4836 8.4836 11.8716 11.8716 11.8719 11.8719 16.4688 16.4688 16.4694 16.4694 k = 0.0000 0.5004 0.2608 ( 1684 PWs) bands (ev): -7.2184 -7.2184 -7.2184 -7.2184 -4.9352 -4.9352 -4.9351 -4.9351 0.5854 0.5854 0.5854 0.5854 1.9098 1.9098 1.9102 1.9102 3.0905 3.0905 3.0906 3.0906 4.3575 4.3575 4.3585 4.3585 5.5609 5.5609 5.5612 5.5612 8.4566 8.4566 8.4568 8.4568 11.8994 11.8994 11.8998 11.8998 16.4984 16.4984 16.4989 16.4989 k = 0.0000 0.5004 0.2721 ( 1682 PWs) bands (ev): -7.1779 -7.1779 -7.1779 -7.1779 -5.0215 -5.0215 -5.0215 -5.0215 0.6582 0.6582 0.6582 0.6582 1.9080 1.9080 1.9084 1.9084 3.1758 3.1758 3.1759 3.1759 4.3170 4.3170 4.3181 4.3181 5.4911 5.4911 5.4914 5.4914 8.4284 8.4284 8.4286 8.4286 11.9259 11.9259 11.9262 11.9262 16.5272 16.5272 16.5277 16.5277 k = 0.0000 0.5004 0.2834 ( 1678 PWs) bands (ev): -7.1368 -7.1368 -7.1368 -7.1368 -5.1050 -5.1050 -5.1050 -5.1050 0.7274 0.7274 0.7274 0.7274 1.9040 1.9040 1.9044 1.9044 3.2631 3.2631 3.2633 3.2633 4.2803 4.2803 4.2814 4.2814 5.4194 5.4194 5.4198 5.4198 8.3994 8.3994 8.3995 8.3995 11.9510 11.9510 11.9512 11.9512 16.5548 16.5548 16.5553 16.5553 k = 0.0000 0.5004 0.2948 ( 1678 PWs) bands (ev): -7.0955 -7.0955 -7.0955 -7.0955 -5.1852 -5.1852 -5.1851 -5.1851 0.7929 0.7929 0.7929 0.7929 1.8979 1.8979 1.8984 1.8984 3.3515 3.3515 3.3518 3.3518 4.2478 4.2478 4.2490 4.2490 5.3458 5.3458 5.3463 5.3463 8.3701 8.3701 8.3702 8.3702 11.9744 11.9744 11.9746 11.9746 16.5805 16.5805 16.5810 16.5810 k = 0.0000 0.5004 0.3061 ( 1676 PWs) bands (ev): -7.0544 -7.0544 -7.0544 -7.0544 -5.2616 -5.2616 -5.2616 -5.2616 0.8545 0.8545 0.8546 0.8546 1.8899 1.8899 1.8904 1.8904 3.4398 3.4398 3.4401 3.4401 4.2204 4.2204 4.2217 4.2217 5.2705 5.2705 5.2710 5.2710 8.3411 8.3411 8.3412 8.3412 11.9959 11.9959 11.9962 11.9962 16.6038 16.6038 16.6043 16.6043 k = 0.0000 0.5004 0.3175 ( 1672 PWs) bands (ev): -7.0140 -7.0140 -7.0140 -7.0140 -5.3337 -5.3337 -5.3337 -5.3337 0.9120 0.9120 0.9121 0.9121 1.8802 1.8802 1.8807 1.8807 3.5263 3.5263 3.5267 3.5267 4.1994 4.1994 4.2008 4.2008 5.1935 5.1935 5.1941 5.1941 8.3132 8.3132 8.3133 8.3133 12.0156 12.0156 12.0159 12.0159 16.6245 16.6245 16.6250 16.6250 k = 0.0000 0.5004 0.3288 ( 1672 PWs) bands (ev): -6.9748 -6.9748 -6.9748 -6.9748 -5.4010 -5.4010 -5.4010 -5.4010 0.9651 0.9651 0.9652 0.9652 1.8693 1.8693 1.8697 1.8697 3.6088 3.6088 3.6093 3.6093 4.1863 4.1863 4.1879 4.1879 5.1149 5.1149 5.1155 5.1155 8.2867 8.2867 8.2868 8.2868 12.0332 12.0332 12.0334 12.0334 16.6423 16.6423 16.6427 16.6427 k = 0.0000 0.5004 0.3401 ( 1674 PWs) bands (ev): -6.9376 -6.9376 -6.9376 -6.9376 -5.4626 -5.4626 -5.4625 -5.4625 1.0133 1.0133 1.0134 1.0134 1.8575 1.8575 1.8579 1.8579 3.6842 3.6842 3.6849 3.6849 4.1838 4.1838 4.1855 4.1855 5.0349 5.0349 5.0356 5.0356 8.2624 8.2624 8.2625 8.2625 12.0487 12.0487 12.0489 12.0489 16.6571 16.6571 16.6575 16.6575 k = 0.0000 0.5004 0.3515 ( 1680 PWs) bands (ev): -6.9033 -6.9033 -6.9033 -6.9033 -5.5175 -5.5175 -5.5175 -5.5175 1.0560 1.0560 1.0561 1.0561 1.8454 1.8454 1.8458 1.8458 3.7487 3.7487 3.7494 3.7494 4.1951 4.1951 4.1968 4.1968 4.9539 4.9539 4.9546 4.9546 8.2408 8.2408 8.2408 8.2408 12.0620 12.0620 12.0621 12.0621 16.6691 16.6691 16.6694 16.6694 k = 0.0000 0.5004 0.3628 ( 1676 PWs) bands (ev): -6.8729 -6.8729 -6.8729 -6.8729 -5.5649 -5.5649 -5.5649 -5.5649 1.0927 1.0927 1.0929 1.0929 1.8338 1.8338 1.8341 1.8341 3.7986 3.7986 3.7993 3.7993 4.2228 4.2228 4.2246 4.2246 4.8726 4.8726 4.8734 4.8734 8.2224 8.2224 8.2224 8.2224 12.0729 12.0729 12.0730 12.0730 16.6786 16.6786 16.6788 16.6788 k = 0.0000 0.5004 0.3741 ( 1674 PWs) bands (ev): -6.8476 -6.8476 -6.8476 -6.8476 -5.6034 -5.6034 -5.6034 -5.6034 1.1226 1.1226 1.1227 1.1227 1.8235 1.8235 1.8237 1.8237 3.8326 3.8326 3.8332 3.8332 4.2666 4.2666 4.2682 4.2682 4.7924 4.7924 4.7933 4.7933 8.2076 8.2076 8.2077 8.2077 12.0815 12.0815 12.0816 12.0816 16.6856 16.6856 16.6858 16.6858 k = 0.0000 0.5004 0.3855 ( 1674 PWs) bands (ev): -6.8284 -6.8284 -6.8284 -6.8284 -5.6320 -5.6320 -5.6320 -5.6320 1.1447 1.1447 1.1448 1.1448 1.8153 1.8153 1.8155 1.8155 3.8530 3.8530 3.8534 3.8534 4.3210 4.3210 4.3224 4.3224 4.7162 4.7162 4.7171 4.7171 8.1968 8.1968 8.1968 8.1968 12.0877 12.0877 12.0877 12.0877 16.6905 16.6905 16.6906 16.6906 k = 0.0000 0.5004 0.3968 ( 1676 PWs) bands (ev): -6.8164 -6.8164 -6.8164 -6.8164 -5.6497 -5.6497 -5.6497 -5.6497 1.1583 1.1583 1.1584 1.1584 1.8100 1.8100 1.8101 1.8101 3.8634 3.8634 3.8636 3.8636 4.3740 4.3740 4.3749 4.3749 4.6523 4.6523 4.6530 4.6530 8.1902 8.1902 8.1902 8.1902 12.0914 12.0914 12.0914 12.0914 16.6933 16.6933 16.6933 16.6933 k = 0.0000 0.5004 0.4082 ( 1676 PWs) bands (ev): -6.8123 -6.8123 -6.8123 -6.8123 -5.6557 -5.6557 -5.6557 -5.6557 1.1630 1.1630 1.1630 1.1630 1.8082 1.8082 1.8082 1.8082 3.8666 3.8666 3.8666 3.8666 4.3999 4.3999 4.3999 4.3999 4.6238 4.6238 4.6238 4.6238 8.1880 8.1880 8.1880 8.1880 12.0927 12.0927 12.0927 12.0927 16.6942 16.6942 16.6942 16.6942 k = 0.0000 0.5004 0.4082 ( 1676 PWs) bands (ev): -6.8123 -6.8123 -6.8123 -6.8123 -5.6557 -5.6557 -5.6557 -5.6557 1.1630 1.1630 1.1630 1.1630 1.8082 1.8082 1.8082 1.8082 3.8666 3.8666 3.8666 3.8666 4.3999 4.3999 4.3999 4.3999 4.6238 4.6238 4.6238 4.6238 8.1880 8.1880 8.1880 8.1880 12.0927 12.0927 12.0927 12.0927 16.6942 16.6942 16.6942 16.6942 k = 0.0112 0.5004 0.4082 ( 1678 PWs) bands (ev): -6.8116 -6.8116 -6.8112 -6.8112 -5.6593 -5.6593 -5.6509 -5.6509 1.0710 1.0710 1.2222 1.2222 1.7453 1.7453 1.8980 1.8980 3.8479 3.8479 3.8694 3.8694 4.3868 4.3868 4.4180 4.4180 4.5993 4.5993 4.6609 4.6609 8.1284 8.1284 8.2539 8.2539 12.0810 12.0810 12.1057 12.1057 16.6338 16.6338 16.7509 16.7509 k = 0.0224 0.5004 0.4082 ( 1678 PWs) bands (ev): -6.8091 -6.8091 -6.8082 -6.8082 -5.6619 -5.6619 -5.6451 -5.6451 0.9624 0.9624 1.2259 1.2259 1.7324 1.7324 1.9982 1.9982 3.8158 3.8158 3.8557 3.8557 4.3788 4.3788 4.4403 4.4403 4.5890 4.5890 4.7083 4.7083 8.0752 8.0752 8.3258 8.3258 12.0707 12.0707 12.1203 12.1203 16.5705 16.5705 16.8028 16.8028 k = 0.0336 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.8047 -6.8047 -6.8035 -6.8035 -5.6634 -5.6634 -5.6381 -5.6381 0.8447 0.8447 1.1706 1.1706 1.7733 1.7733 2.1004 2.1004 3.7737 3.7737 3.8277 3.8277 4.3745 4.3745 4.4660 4.4660 4.5928 4.5928 4.7633 4.7633 8.0288 8.0288 8.4034 8.4034 12.0616 12.0616 12.1365 12.1365 16.5053 16.5053 16.8492 16.8492 k = 0.0448 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.7986 -6.7986 -6.7969 -6.7969 -5.6638 -5.6638 -5.6299 -5.6299 0.7216 0.7216 1.0779 1.0779 1.8457 1.8457 2.1993 2.1993 3.7244 3.7244 3.7898 3.7898 4.3727 4.3727 4.4948 4.4948 4.6094 4.6094 4.8231 4.8231 7.9895 7.9895 8.4863 8.4863 12.0536 12.0536 12.1544 12.1544 16.4387 16.4387 16.8891 16.8891 k = 0.0559 0.5004 0.4082 ( 1674 PWs) bands (ev): -6.7906 -6.7906 -6.7885 -6.7885 -5.6632 -5.6632 -5.6207 -5.6207 0.5950 0.5950 0.9667 0.9667 1.9307 1.9307 2.2913 2.2913 3.6704 3.6704 3.7476 3.7476 4.3726 4.3726 4.5266 4.5266 4.6361 4.6361 4.8855 4.8855 7.9572 7.9572 8.5743 8.5743 12.0466 12.0466 12.1740 12.1740 16.3716 16.3716 16.9219 16.9219 k = 0.0671 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.7809 -6.7809 -6.7783 -6.7783 -5.6616 -5.6616 -5.6102 -5.6102 0.4660 0.4660 0.8463 0.8463 2.0185 2.0185 2.3727 2.3727 3.6137 3.6137 3.7067 3.7067 4.3744 4.3744 4.5615 4.5615 4.6703 4.6703 4.9487 4.9487 7.9321 7.9321 8.6670 8.6670 12.0406 12.0406 12.1954 12.1954 16.3046 16.3046 16.9471 16.9471 k = 0.0783 0.5004 0.4082 ( 1668 PWs) bands (ev): -6.7695 -6.7695 -6.7662 -6.7662 -5.6590 -5.6590 -5.5987 -5.5987 0.3354 0.3354 0.7211 0.7211 2.1038 2.1038 2.4394 2.4394 3.5562 3.5562 3.6722 3.6722 4.3784 4.3784 4.5997 4.5997 4.7095 4.7095 5.0114 5.0114 7.9144 7.9144 8.7639 8.7639 12.0354 12.0354 12.2187 12.2187 16.2384 16.2384 16.9641 16.9641 k = 0.0895 0.5004 0.4082 ( 1668 PWs) bands (ev): -6.7563 -6.7563 -6.7524 -6.7524 -5.6555 -5.6555 -5.5860 -5.5860 0.2036 0.2036 0.5930 0.5930 2.1834 2.1834 2.4877 2.4877 3.4996 3.4996 3.6490 3.6490 4.3853 4.3853 4.6414 4.6414 4.7521 4.7521 5.0726 5.0726 7.9039 7.9039 8.8648 8.8648 12.0309 12.0309 12.2440 12.2440 16.1734 16.1734 16.9724 16.9724 k = 0.1007 0.5004 0.4082 ( 1668 PWs) bands (ev): -6.7414 -6.7414 -6.7368 -6.7368 -5.6510 -5.6510 -5.5722 -5.5722 0.0712 0.0712 0.4635 0.4635 2.2547 2.2547 2.5140 2.5140 3.4458 3.4458 3.6409 3.6409 4.3955 4.3955 4.6868 4.6868 4.7969 4.7969 5.1314 5.1314 7.9006 7.9006 8.9693 8.9693 12.0270 12.0270 12.2713 12.2713 16.1102 16.1102 16.9702 16.9702 k = 0.1119 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.7249 -6.7249 -6.7194 -6.7194 -5.6457 -5.6457 -5.5572 -5.5572 -0.0617 -0.0617 0.3332 0.3332 2.3152 2.3152 2.5171 2.5171 3.3971 3.3971 3.6490 3.6490 4.4098 4.4098 4.7360 4.7360 4.8433 4.8433 5.1873 5.1873 7.9043 7.9043 9.0769 9.0769 12.0235 12.0235 12.3007 12.3007 16.0492 16.0492 16.9514 16.9514 k = 0.1231 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.7067 -6.7067 -6.7003 -6.7003 -5.6396 -5.6396 -5.5411 -5.5411 -0.1946 -0.1946 0.2027 0.2027 2.3625 2.3625 2.4981 2.4981 3.3558 3.3558 3.6721 3.6721 4.4288 4.4288 4.7891 4.7891 4.8908 4.8908 5.2400 5.2400 7.9149 7.9149 9.1875 9.1875 12.0203 12.0203 12.3322 12.3322 15.9910 15.9910 16.9078 16.9078 k = 0.1343 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.6869 -6.6869 -6.6795 -6.6795 -5.6326 -5.6326 -5.5239 -5.5239 -0.3275 -0.3275 0.0724 0.0724 2.3940 2.3940 2.4601 2.4601 3.3243 3.3243 3.7065 3.7065 4.4532 4.4532 4.8459 4.8459 4.9393 4.9393 5.2894 5.2894 7.9320 7.9320 9.3004 9.3004 12.0173 12.0173 12.3660 12.3660 15.9358 15.9358 16.8464 16.8464 k = 0.1454 0.5004 0.4082 ( 1676 PWs) bands (ev): -6.6655 -6.6655 -6.6569 -6.6569 -5.6249 -5.6249 -5.5056 -5.5056 -0.4600 -0.4600 -0.0574 -0.0574 2.4070 2.4070 2.4081 2.4081 3.3044 3.3044 3.7477 3.7477 4.4835 4.4835 4.9064 4.9064 4.9886 4.9886 5.3353 5.3353 7.9552 7.9552 9.4155 9.4155 12.0143 12.0143 12.4020 12.4020 15.8840 15.8840 16.7778 16.7778 k = 0.1566 0.5004 0.4082 ( 1676 PWs) bands (ev): -6.6427 -6.6427 -6.6327 -6.6327 -5.6165 -5.6165 -5.4861 -5.4861 -0.5921 -0.5921 -0.1865 -0.1865 2.3428 2.3428 2.4043 2.4043 3.2966 3.2966 3.7916 3.7916 4.5201 4.5201 4.9702 4.9702 5.0390 5.0390 5.3781 5.3781 7.9840 7.9840 9.5322 9.5322 12.0113 12.0113 12.4404 12.4404 15.8362 15.8362 16.7063 16.7063 k = 0.1678 0.5004 0.4082 ( 1678 PWs) bands (ev): -6.6183 -6.6183 -6.6069 -6.6069 -5.6075 -5.6075 -5.4656 -5.4656 -0.7236 -0.7236 -0.3148 -0.3148 2.2705 2.2705 2.3839 2.3839 3.3002 3.3002 3.8345 3.8345 4.5629 4.5629 5.0371 5.0371 5.0906 5.0906 5.4177 5.4177 8.0181 8.0181 9.6502 9.6502 12.0080 12.0080 12.4811 12.4811 15.7927 15.7927 16.6335 16.6335 k = 0.1790 0.5004 0.4082 ( 1678 PWs) bands (ev): -6.5926 -6.5926 -6.5794 -6.5794 -5.5979 -5.5979 -5.4439 -5.4439 -0.8542 -0.8542 -0.4419 -0.4419 2.1925 2.1925 2.3492 2.3492 3.3130 3.3130 3.8743 3.8743 4.6114 4.6114 5.1064 5.1064 5.1437 5.1437 5.4546 5.4546 8.0567 8.0567 9.7692 9.7692 12.0044 12.0044 12.5242 12.5242 15.7537 15.7537 16.5603 16.5603 k = 0.1902 0.5004 0.4082 ( 1674 PWs) bands (ev): -6.5656 -6.5656 -6.5504 -6.5504 -5.5877 -5.5877 -5.4211 -5.4211 -0.9840 -0.9840 -0.5677 -0.5677 2.1108 2.1108 2.3034 2.3034 3.3325 3.3325 3.9100 3.9100 4.6645 4.6645 5.1773 5.1773 5.1987 5.1987 5.4896 5.4896 8.0994 8.0994 9.8886 9.8886 12.0005 12.0005 12.5698 12.5698 15.7195 15.7195 16.4874 16.4874 k = 0.2014 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.5373 -6.5373 -6.5199 -6.5199 -5.5771 -5.5771 -5.3972 -5.3972 -1.1127 -1.1127 -0.6920 -0.6920 2.0268 2.0268 2.2491 2.2491 3.3562 3.3562 3.9413 3.9413 4.7207 4.7207 5.2487 5.2487 5.2559 5.2559 5.5235 5.5235 8.1455 8.1455 10.0083 10.0083 11.9959 11.9959 12.6178 12.6178 15.6905 15.6905 16.4150 16.4150 k = 0.2126 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.5079 -6.5079 -6.4879 -6.4879 -5.5661 -5.5661 -5.3722 -5.3722 -1.2403 -1.2403 -0.8148 -0.8148 1.9415 1.9415 2.1889 2.1889 3.3822 3.3822 3.9682 3.9682 4.7786 4.7786 5.3153 5.3153 5.3189 5.3189 5.5577 5.5577 8.1944 8.1944 10.1276 10.1276 11.9906 11.9906 12.6682 12.6682 15.6669 15.6669 16.3435 16.3435 k = 0.2238 0.5004 0.4082 ( 1674 PWs) bands (ev): -6.4774 -6.4774 -6.4546 -6.4546 -5.5547 -5.5547 -5.3461 -5.3461 -1.3667 -1.3667 -0.9359 -0.9359 1.8557 1.8557 2.1246 2.1246 3.4091 3.4091 3.9914 3.9914 4.8364 4.8364 5.3776 5.3776 5.3852 5.3852 5.5947 5.5947 8.2456 8.2456 10.2462 10.2462 11.9846 11.9846 12.7210 12.7210 15.6489 15.6489 16.2732 16.2732 k = 0.2350 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.4461 -6.4461 -6.4200 -6.4200 -5.5430 -5.5430 -5.3188 -5.3188 -1.4917 -1.4917 -1.0551 -1.0551 1.7701 1.7701 2.0579 2.0579 3.4360 3.4360 4.0114 4.0114 4.8928 4.8928 5.4424 5.4424 5.4443 5.4443 5.6376 5.6376 8.2984 8.2984 10.3638 10.3638 11.9779 11.9779 12.7762 12.7762 15.6365 15.6365 16.2043 16.2043 k = 0.2461 0.5004 0.4082 ( 1672 PWs) bands (ev): -6.4139 -6.4139 -6.3841 -6.3841 -5.5312 -5.5312 -5.2904 -5.2904 -1.6153 -1.6153 -1.1723 -1.1723 1.6852 1.6852 1.9898 1.9898 3.4622 3.4622 4.0287 4.0287 4.9468 4.9468 5.4925 5.4925 5.5102 5.5102 5.6895 5.6895 8.3524 8.3524 10.4799 10.4799 11.9703 11.9703 12.8339 12.8339 15.6299 15.6299 16.1370 16.1370 k = 0.2573 0.5004 0.4082 ( 1676 PWs) bands (ev): -6.3811 -6.3811 -6.3471 -6.3471 -5.5191 -5.5191 -5.2608 -5.2608 -1.7374 -1.7374 -1.2875 -1.2875 1.6016 1.6016 1.9212 1.9212 3.4873 3.4873 4.0439 4.0439 4.9978 4.9978 5.5298 5.5298 5.5799 5.5799 5.7506 5.7506 8.4070 8.4070 10.5942 10.5942 11.9620 11.9620 12.8939 12.8939 15.6291 15.6291 16.0715 16.0715 k = 0.2685 0.5004 0.4082 ( 1676 PWs) bands (ev): -6.3477 -6.3477 -6.3092 -6.3092 -5.5069 -5.5069 -5.2299 -5.2299 -1.8578 -1.8578 -1.4003 -1.4003 1.5195 1.5195 1.8528 1.8528 3.5110 3.5110 4.0573 4.0573 5.0455 5.0455 5.5582 5.5582 5.6515 5.6515 5.8184 5.8184 8.4619 8.4619 10.7063 10.7063 11.9529 11.9529 12.9561 12.9561 15.6341 15.6341 16.0079 16.0079 k = 0.2797 0.5004 0.4082 ( 1680 PWs) bands (ev): -6.3141 -6.3141 -6.2703 -6.2703 -5.4947 -5.4947 -5.1977 -5.1977 -1.9765 -1.9765 -1.5107 -1.5107 1.4394 1.4394 1.7852 1.7852 3.5333 3.5333 4.0693 4.0693 5.0897 5.0897 5.5804 5.5804 5.7240 5.7240 5.8900 5.8900 8.5164 8.5164 10.8158 10.8158 11.9431 11.9431 13.0204 13.0204 15.6446 15.6446 15.9464 15.9464 k = 0.2909 0.5004 0.4082 ( 1680 PWs) bands (ev): -6.2804 -6.2804 -6.2308 -6.2308 -5.4825 -5.4825 -5.1642 -5.1642 -2.0935 -2.0935 -1.6185 -1.6185 1.3614 1.3614 1.7190 1.7190 3.5542 3.5542 4.0801 4.0801 5.1307 5.1307 5.5986 5.5986 5.7970 5.7970 5.9629 5.9629 8.5702 8.5702 10.9222 10.9222 11.9326 11.9326 13.0868 13.0868 15.6605 15.6605 15.8871 15.8871 k = 0.3021 0.5004 0.4082 ( 1686 PWs) bands (ev): -6.2467 -6.2467 -6.1907 -6.1907 -5.4703 -5.4703 -5.1292 -5.1292 -2.2085 -2.2085 -1.7236 -1.7236 1.2859 1.2859 1.6544 1.6544 3.5735 3.5735 4.0900 4.0900 5.1684 5.1684 5.6138 5.6138 5.8696 5.8696 6.0357 6.0357 8.6230 8.6230 11.0253 11.0253 11.9214 11.9214 13.1551 13.1551 15.6813 15.6813 15.8302 15.8302 k = 0.3133 0.5004 0.4082 ( 1686 PWs) bands (ev): -6.2134 -6.2134 -6.1502 -6.1502 -5.4581 -5.4581 -5.0926 -5.0926 -2.3217 -2.3217 -1.8258 -1.8258 1.2132 1.2132 1.5919 1.5919 3.5914 3.5914 4.0991 4.0991 5.2031 5.2031 5.6270 5.6270 5.9414 5.9414 6.1074 6.1074 8.6744 8.6744 11.1246 11.1246 11.9099 11.9099 13.2251 13.2251 15.7067 15.7067 15.7756 15.7756 k = 0.3245 0.5004 0.4082 ( 1684 PWs) bands (ev): -6.1807 -6.1807 -6.1097 -6.1097 -5.4458 -5.4458 -5.0544 -5.0544 -2.4328 -2.4328 -1.9249 -1.9249 1.1434 1.1434 1.5317 1.5317 3.6079 3.6079 4.1075 4.1075 5.2350 5.2350 5.6385 5.6385 6.0116 6.0116 6.1773 6.1773 8.7241 8.7241 11.2199 11.2199 11.8982 11.8982 13.2967 13.2967 15.7235 15.7235 15.7363 15.7363 k = 0.3357 0.5004 0.4082 ( 1686 PWs) bands (ev): -6.1489 -6.1489 -6.0694 -6.0694 -5.4336 -5.4336 -5.0145 -5.0145 -2.5418 -2.5418 -2.0208 -2.0208 1.0768 1.0768 1.4742 1.4742 3.6230 3.6230 4.1153 4.1153 5.2643 5.2643 5.6488 5.6488 6.0796 6.0796 6.2448 6.2448 8.7719 8.7719 11.3106 11.3106 11.8864 11.8864 13.3695 13.3695 15.6742 15.6742 15.7689 15.7689 k = 0.3468 0.5004 0.4082 ( 1684 PWs) bands (ev): -6.1182 -6.1182 -6.0296 -6.0296 -5.4212 -5.4212 -4.9726 -4.9726 -2.6487 -2.6487 -2.1131 -2.1131 1.0136 1.0136 1.4196 1.4196 3.6368 3.6368 4.1226 4.1226 5.2911 5.2911 5.6580 5.6580 6.1452 6.1452 6.3095 6.3095 8.8174 8.8174 11.3967 11.3967 11.8748 11.8748 13.4433 13.4433 15.6275 15.6275 15.8042 15.8042 k = 0.3580 0.5004 0.4082 ( 1686 PWs) bands (ev): -6.0889 -6.0889 -5.9908 -5.9908 -5.4087 -5.4087 -4.9287 -4.9287 -2.7534 -2.7534 -2.2019 -2.2019 0.9540 0.9540 1.3681 1.3681 3.6493 3.6493 4.1294 4.1294 5.3156 5.3156 5.6664 5.6664 6.2078 6.2078 6.3709 6.3709 8.8605 8.8605 11.4775 11.4775 11.8635 11.8635 13.5179 13.5179 15.5836 15.5836 15.8411 15.8411 k = 0.3692 0.5004 0.4082 ( 1684 PWs) bands (ev): -6.0613 -6.0613 -5.9534 -5.9534 -5.3957 -5.3957 -4.8827 -4.8827 -2.8557 -2.8557 -2.2866 -2.2866 0.8981 0.8981 1.3200 1.3200 3.6605 3.6605 4.1358 4.1358 5.3377 5.3377 5.6739 5.6739 6.2672 6.2672 6.4290 6.4290 8.9009 8.9009 11.5526 11.5526 11.8530 11.8530 13.5929 13.5929 15.5425 15.5425 15.8787 15.8787 k = 0.3804 0.5004 0.4082 ( 1682 PWs) bands (ev): -6.0358 -6.0358 -5.9178 -5.9178 -5.3822 -5.3822 -4.8343 -4.8343 -2.9557 -2.9557 -2.3673 -2.3673 0.8462 0.8462 1.2753 1.2753 3.6705 3.6705 4.1418 4.1418 5.3576 5.3576 5.6808 5.6808 6.3230 6.3230 6.4834 6.4834 8.9384 8.9384 11.6217 11.6217 11.8437 11.8437 13.6677 13.6677 15.5044 15.5044 15.9160 15.9160 k = 0.3916 0.5004 0.4082 ( 1684 PWs) bands (ev): -6.0125 -6.0125 -5.8847 -5.8847 -5.3680 -5.3680 -4.7835 -4.7835 -3.0533 -3.0533 -2.4435 -2.4435 0.7984 0.7984 1.2344 1.2344 3.6794 3.6794 4.1475 4.1475 5.3754 5.3754 5.6871 5.6871 6.3749 6.3749 6.5339 6.5339 8.9729 8.9729 11.6833 11.6833 11.8367 11.8367 13.7419 13.7419 15.4692 15.4692 15.9512 15.9512 k = 0.4028 0.5004 0.4082 ( 1680 PWs) bands (ev): -5.9918 -5.9918 -5.8547 -5.8547 -5.3527 -5.3527 -4.7301 -4.7301 -3.1484 -3.1484 -2.5149 -2.5149 0.7549 0.7549 1.1973 1.1973 3.6871 3.6871 4.1527 4.1527 5.3910 5.3910 5.6928 5.6928 6.4228 6.4228 6.5804 6.5804 9.0043 9.0043 11.7348 11.7348 11.8349 11.8349 13.8149 13.8149 15.4370 15.4370 15.8957 15.8957 k = 0.4140 0.5004 0.4082 ( 1680 PWs) bands (ev): -5.9738 -5.9738 -5.8283 -5.8283 -5.3362 -5.3362 -4.6740 -4.6740 -3.2410 -3.2410 -2.5813 -2.5813 0.7158 0.7158 1.1641 1.1641 3.6937 3.6937 4.1576 4.1576 5.4045 5.4045 5.6980 5.6980 6.4665 6.4665 6.6226 6.6226 9.0323 9.0323 11.7685 11.7685 11.8457 11.8457 13.8860 13.8860 15.4080 15.4080 15.8373 15.8373 k = 0.4252 0.5004 0.4082 ( 1682 PWs) bands (ev): -5.9589 -5.9589 -5.8060 -5.8060 -5.3184 -5.3184 -4.6151 -4.6151 -3.3311 -3.3311 -2.6423 -2.6423 0.6812 0.6812 1.1351 1.1351 3.6992 3.6992 4.1622 4.1622 5.4159 5.4159 5.7027 5.7027 6.5056 6.5056 6.6604 6.6604 9.0568 9.0568 11.7803 11.7803 11.8732 11.8732 13.9544 13.9544 15.3820 15.3820 15.7803 15.7803 k = 0.4363 0.5004 0.4082 ( 1686 PWs) bands (ev): -5.9472 -5.9472 -5.7883 -5.7883 -5.2993 -5.2993 -4.5535 -4.5535 -3.4186 -3.4186 -2.6976 -2.6976 0.6513 0.6513 1.1102 1.1102 3.7037 3.7037 4.1664 4.1664 5.4253 5.4253 5.7069 5.7069 6.5402 6.5402 6.6939 6.6939 9.0778 9.0778 11.7813 11.7813 11.9064 11.9064 14.0190 14.0190 15.3592 15.3592 15.7253 15.7253 k = 0.4475 0.5004 0.4082 ( 1686 PWs) bands (ev): -5.9387 -5.9387 -5.7754 -5.7754 -5.2790 -5.2790 -4.4889 -4.4889 -3.5035 -3.5035 -2.7467 -2.7467 0.6261 0.6261 1.0896 1.0896 3.7070 3.7070 4.1703 4.1703 5.4326 5.4326 5.7107 5.7107 6.5701 6.5701 6.7228 6.7228 9.0952 9.0952 11.7797 11.7797 11.9369 11.9369 14.0788 14.0788 15.3397 15.3397 15.6736 15.6736 k = 0.4587 0.5004 0.4082 ( 1688 PWs) bands (ev): -5.9336 -5.9336 -5.7673 -5.7673 -5.2579 -5.2579 -4.4214 -4.4214 -3.5857 -3.5857 -2.7894 -2.7894 0.6057 0.6057 1.0735 1.0735 3.7094 3.7094 4.1738 4.1738 5.4379 5.4379 5.7140 5.7140 6.5951 6.5951 6.7471 6.7471 9.1089 9.1089 11.7781 11.7781 11.9623 11.9623 14.1322 14.1322 15.3233 15.3233 15.6263 15.6263 k = 0.4699 0.5004 0.4082 ( 1684 PWs) bands (ev): -5.9320 -5.9320 -5.7640 -5.7640 -5.2365 -5.2365 -4.3511 -4.3511 -3.6653 -3.6653 -2.8252 -2.8252 0.5903 0.5903 1.0618 1.0618 3.7108 3.7108 4.1770 4.1770 5.4412 5.4412 5.7168 5.7168 6.6154 6.6154 6.7668 6.7668 9.1189 9.1189 11.7773 11.7773 11.9817 11.9817 14.1777 14.1777 15.3103 15.3103 15.5850 15.5850 k = 0.4811 0.5004 0.4082 ( 1684 PWs) bands (ev): -5.9339 -5.9339 -5.7652 -5.7652 -5.2153 -5.2153 -4.2779 -4.2779 -3.7422 -3.7422 -2.8537 -2.8537 0.5799 0.5799 1.0545 1.0545 3.7112 3.7112 4.1799 4.1799 5.4424 5.4424 5.7192 5.7192 6.6306 6.6306 6.7817 6.7817 9.1250 9.1250 11.7778 11.7778 11.9947 11.9947 14.2134 14.2134 15.3005 15.3005 15.5514 15.5514 k = 0.4811 0.5004 0.4082 ( 1684 PWs) bands (ev): -5.9339 -5.9339 -5.7652 -5.7652 -5.2153 -5.2153 -4.2779 -4.2779 -3.7422 -3.7422 -2.8537 -2.8537 0.5799 0.5799 1.0545 1.0545 3.7112 3.7112 4.1799 4.1799 5.4424 5.4424 5.7192 5.7192 6.6306 6.6306 6.7817 6.7817 9.1250 9.1250 11.7778 11.7778 11.9947 11.9947 14.2134 14.2134 15.3005 15.3005 15.5514 15.5514 k = 0.4732 0.4922 0.4082 ( 1684 PWs) bands (ev): -5.9275 -5.9275 -5.7591 -5.7591 -5.2516 -5.2516 -4.3873 -4.3873 -3.6311 -3.6311 -2.8104 -2.8104 0.5940 0.5940 1.0634 1.0634 3.7114 3.7114 4.1752 4.1752 5.4420 5.4420 5.7154 5.7154 6.6081 6.6081 6.7595 6.7595 9.1175 9.1175 11.7758 11.7758 11.9777 11.9777 14.1618 14.1618 15.3148 15.3148 15.6012 15.6012 k = 0.4653 0.4840 0.4082 ( 1684 PWs) bands (ev): -5.9190 -5.9190 -5.7509 -5.7509 -5.2983 -5.2983 -4.4962 -4.4962 -3.5198 -3.5198 -2.7543 -2.7543 0.6131 0.6131 1.0754 1.0754 3.7116 3.7116 4.1689 4.1689 5.4412 5.4412 5.7103 5.7103 6.5781 6.5781 6.7299 6.7299 9.1073 9.1073 11.7731 11.7731 11.9554 11.9554 14.0981 14.0981 15.3340 15.3340 15.6625 15.6625 k = 0.4574 0.4758 0.4082 ( 1688 PWs) bands (ev): -5.9084 -5.9084 -5.7406 -5.7406 -5.3541 -5.3541 -4.6045 -4.6045 -3.4087 -3.4087 -2.6867 -2.6867 0.6370 0.6370 1.0905 1.0905 3.7117 3.7117 4.1610 4.1610 5.4399 5.4399 5.7040 5.7040 6.5409 6.5409 6.6930 6.6930 9.0945 9.0945 11.7695 11.7695 11.9279 11.9279 14.0250 14.0250 15.3579 15.3579 15.7326 15.7326 k = 0.4496 0.4676 0.4082 ( 1684 PWs) bands (ev): -5.8955 -5.8955 -5.7281 -5.7281 -5.4175 -5.4175 -4.7120 -4.7120 -3.2979 -3.2979 -2.6092 -2.6092 0.6658 0.6658 1.1086 1.1086 3.7118 3.7118 4.1517 4.1517 5.4380 5.4380 5.6966 5.6966 6.4969 6.4969 6.6494 6.6494 9.0793 9.0793 11.7649 11.7649 11.8959 11.8959 13.9453 13.9453 15.3866 15.3866 15.8090 15.8090 k = 0.4417 0.4594 0.4082 ( 1684 PWs) bands (ev): -5.8804 -5.8804 -5.7136 -5.7136 -5.4871 -5.4871 -4.8187 -4.8187 -3.1876 -3.1876 -2.5232 -2.5232 0.6996 0.6996 1.1299 1.1299 3.7116 3.7116 4.1408 4.1408 5.4352 5.4352 5.6880 5.6880 6.4466 6.4466 6.5991 6.5991 9.0615 9.0615 11.7591 11.7591 11.8596 11.8596 13.8607 13.8607 15.4198 15.4198 15.8898 15.8898 k = 0.4338 0.4512 0.4082 ( 1678 PWs) bands (ev): -5.8632 -5.8632 -5.6969 -5.6969 -5.5617 -5.5617 -4.9243 -4.9243 -3.0777 -3.0777 -2.4300 -2.4300 0.7383 0.7383 1.1542 1.1542 3.7110 3.7110 4.1286 4.1286 5.4311 5.4311 5.6784 5.6784 6.3905 6.3905 6.5425 6.5425 9.0412 9.0412 11.7519 11.7519 11.8195 11.8195 13.7727 13.7727 15.4576 15.4576 15.9735 15.9735 k = 0.4259 0.4430 0.4082 ( 1678 PWs) bands (ev): -5.8438 -5.8438 -5.6781 -5.6781 -5.6402 -5.6402 -5.0288 -5.0288 -2.9687 -2.9687 -2.3307 -2.3307 0.7819 0.7819 1.1817 1.1817 3.7100 3.7100 4.1150 4.1150 5.4252 5.4252 5.6679 5.6679 6.3294 6.3294 6.4801 6.4801 9.0185 9.0185 11.7432 11.7432 11.7761 11.7761 13.6825 13.6825 15.4997 15.4997 15.9539 15.9539 k = 0.4180 0.4348 0.4082 ( 1678 PWs) bands (ev): -5.8222 -5.8222 -5.7218 -5.7218 -5.6573 -5.6573 -5.1322 -5.1322 -2.8604 -2.8604 -2.2262 -2.2262 0.8305 0.8305 1.2122 1.2122 3.7083 3.7083 4.1002 4.1002 5.4166 5.4166 5.6565 5.6565 6.2643 6.2643 6.4124 6.4124 8.9933 8.9933 11.7296 11.7296 11.7331 11.7331 13.5909 13.5909 15.5460 15.5460 15.9104 15.9104 k = 0.4101 0.4266 0.4082 ( 1674 PWs) bands (ev): -5.8057 -5.8057 -5.7985 -5.7985 -5.6343 -5.6343 -5.2345 -5.2345 -2.7531 -2.7531 -2.1174 -2.1174 0.8839 0.8839 1.2458 1.2458 3.7058 3.7058 4.0841 4.0841 5.4044 5.4044 5.6444 5.6444 6.1966 6.1966 6.3399 6.3399 8.9659 8.9659 11.6813 11.6813 11.7204 11.7204 13.4985 13.4985 15.5963 15.5963 15.8626 15.8626 k = 0.4022 0.4184 0.4082 ( 1674 PWs) bands (ev): -5.8911 -5.8911 -5.7726 -5.7726 -5.6092 -5.6092 -5.3354 -5.3354 -2.6468 -2.6468 -2.0051 -2.0051 0.9422 0.9422 1.2824 1.2824 3.7022 3.7022 4.0669 4.0669 5.3872 5.3872 5.6316 5.6316 6.1279 6.1279 6.2631 6.2631 8.9360 8.9360 11.6308 11.6308 11.7057 11.7057 13.4059 13.4059 15.6506 15.6506 15.8111 15.8111 k = 0.3943 0.4102 0.4082 ( 1666 PWs) bands (ev): -5.9777 -5.9777 -5.7445 -5.7445 -5.5821 -5.5821 -5.4350 -5.4350 -2.5416 -2.5416 -1.8898 -1.8898 1.0053 1.0053 1.3222 1.3222 3.6972 3.6972 4.0488 4.0488 5.3631 5.3631 5.6185 5.6185 6.0605 6.0605 6.1826 6.1826 8.9039 8.9039 11.5787 11.5787 11.6886 11.6886 13.3135 13.3135 15.7085 15.7085 15.7567 15.7567 k = 0.3865 0.4019 0.4082 ( 1666 PWs) bands (ev): -6.0649 -6.0649 -5.7143 -5.7143 -5.5528 -5.5528 -5.5332 -5.5332 -2.4377 -2.4377 -1.7721 -1.7721 1.0732 1.0732 1.3649 1.3649 3.6905 3.6905 4.0296 4.0296 5.3298 5.3298 5.6048 5.6048 5.9967 5.9967 6.0991 6.0991 8.8695 8.8695 11.5256 11.5256 11.6685 11.6685 13.2215 13.2215 15.7000 15.7000 15.7698 15.7698 k = 0.3786 0.3937 0.4082 ( 1674 PWs) bands (ev): -6.1523 -6.1523 -5.6819 -5.6819 -5.6300 -5.6300 -5.5215 -5.5215 -2.3351 -2.3351 -1.6525 -1.6525 1.1458 1.1458 1.4106 1.4106 3.6816 3.6816 4.0095 4.0095 5.2848 5.2848 5.5909 5.5909 5.9394 5.9394 6.0131 6.0131 8.8329 8.8329 11.4716 11.4716 11.6454 11.6454 13.1302 13.1302 15.6419 15.6419 15.8344 15.8344 k = 0.3707 0.3855 0.4082 ( 1672 PWs) bands (ev): -6.2397 -6.2397 -5.7253 -5.7253 -5.6473 -5.6473 -5.4880 -5.4880 -2.2338 -2.2338 -1.5313 -1.5313 1.2230 1.2230 1.4594 1.4594 3.6702 3.6702 3.9887 3.9887 5.2265 5.2265 5.5768 5.5768 5.8908 5.8908 5.9259 5.9259 8.7942 8.7942 11.4171 11.4171 11.6189 11.6189 13.0400 13.0400 15.5835 15.5835 15.9019 15.9019 k = 0.3628 0.3773 0.4082 ( 1676 PWs) bands (ev): -6.3268 -6.3268 -5.8190 -5.8190 -5.6106 -5.6106 -5.4525 -5.4525 -2.1340 -2.1340 -1.4089 -1.4089 1.3047 1.3047 1.5110 1.5110 3.6557 3.6557 3.9672 3.9672 5.1538 5.1538 5.5629 5.5629 5.8376 5.8376 5.8522 5.8522 8.7534 8.7534 11.3625 11.3625 11.5889 11.5889 12.9509 12.9509 15.5254 15.5254 15.9720 15.9720 k = 0.3549 0.3691 0.4082 ( 1676 PWs) bands (ev): -6.4133 -6.4133 -5.9112 -5.9112 -5.5717 -5.5717 -5.4150 -5.4150 -2.0355 -2.0355 -1.2857 -1.2857 1.3907 1.3907 1.5655 1.5655 3.6376 3.6376 3.9452 3.9452 5.0674 5.0674 5.5491 5.5491 5.7497 5.7497 5.8230 5.8230 8.7107 8.7107 11.3079 11.3079 11.5550 11.5550 12.8630 12.8630 15.4685 15.4685 16.0445 16.0445 k = 0.3470 0.3609 0.4082 ( 1674 PWs) bands (ev): -6.4990 -6.4990 -6.0018 -6.0018 -5.5308 -5.5308 -5.3753 -5.3753 -1.9385 -1.9385 -1.1620 -1.1620 1.4808 1.4808 1.6228 1.6228 3.6154 3.6154 3.9228 3.9228 4.9688 4.9688 5.5358 5.5358 5.6631 5.6631 5.8026 5.8026 8.6660 8.6660 11.2536 11.2536 11.5170 11.5170 12.7766 12.7766 15.4136 15.4136 16.1190 16.1190 k = 0.3391 0.3527 0.4082 ( 1678 PWs) bands (ev): -6.5839 -6.5839 -6.0906 -6.0906 -5.4876 -5.4876 -5.3336 -5.3336 -1.8429 -1.8429 -1.0380 -1.0380 1.5750 1.5750 1.6827 1.6827 3.5880 3.5880 3.9000 3.9000 4.8597 4.8597 5.5230 5.5230 5.5785 5.5785 5.7887 5.7887 8.6194 8.6194 11.1998 11.1998 11.4747 11.4747 12.6915 12.6915 15.3613 15.3613 16.1952 16.1952 k = 0.3312 0.3445 0.4082 ( 1678 PWs) bands (ev): -6.6677 -6.6677 -6.1779 -6.1779 -5.4424 -5.4424 -5.2898 -5.2898 -1.7488 -1.7488 -0.9139 -0.9139 1.6729 1.6729 1.7451 1.7451 3.5548 3.5548 3.8770 3.8770 4.7420 4.7420 5.4970 5.4970 5.5111 5.5111 5.7803 5.7803 8.5711 8.5711 11.1466 11.1466 11.4282 11.4282 12.6080 12.6080 15.3122 15.3122 16.2724 16.2724 k = 0.3234 0.3363 0.4082 ( 1674 PWs) bands (ev): -6.7503 -6.7503 -6.2633 -6.2633 -5.3950 -5.3950 -5.2439 -5.2439 -1.6560 -1.6560 -0.7899 -0.7899 1.7744 1.7744 1.8099 1.8099 3.5151 3.5151 3.8539 3.8539 4.6173 4.6173 5.4197 5.4197 5.5000 5.5000 5.7759 5.7759 8.5211 8.5211 11.0942 11.0942 11.3774 11.3774 12.5262 12.5262 15.2668 15.2668 16.3503 16.3503 k = 0.3155 0.3281 0.4082 ( 1674 PWs) bands (ev): -6.8316 -6.8316 -6.3470 -6.3470 -5.3455 -5.3455 -5.1960 -5.1960 -1.5646 -1.5646 -0.6663 -0.6663 1.8768 1.8768 1.8791 1.8791 3.4683 3.4683 3.8308 3.8308 4.4868 4.4868 5.3475 5.3475 5.4901 5.4901 5.7747 5.7747 8.4696 8.4696 11.0428 11.0428 11.3222 11.3222 12.4461 12.4461 15.2255 15.2255 16.4283 16.4283 k = 0.3076 0.3199 0.4082 ( 1674 PWs) bands (ev): -6.9115 -6.9115 -6.4290 -6.4290 -5.2938 -5.2938 -5.1460 -5.1460 -1.4746 -1.4746 -0.5432 -0.5432 1.9458 1.9458 1.9867 1.9867 3.4138 3.4138 3.8079 3.8079 4.3514 4.3514 5.2812 5.2812 5.4816 5.4816 5.7758 5.7758 8.4165 8.4165 10.9924 10.9924 11.2629 11.2629 12.3677 12.3677 15.1886 15.1886 16.5055 16.5055 k = 0.2997 0.3117 0.4082 ( 1674 PWs) bands (ev): -6.9900 -6.9900 -6.5091 -6.5091 -5.2401 -5.2401 -5.0940 -5.0940 -1.3860 -1.3860 -0.4208 -0.4208 2.0164 2.0164 2.0970 2.0970 3.3511 3.3511 3.7852 3.7852 4.2119 4.2119 5.2213 5.2213 5.4746 5.4746 5.7788 5.7788 8.3622 8.3622 10.9431 10.9431 11.1994 11.1994 12.2910 12.2910 15.1561 15.1561 16.5812 16.5812 k = 0.2918 0.3035 0.4082 ( 1676 PWs) bands (ev): -7.0669 -7.0669 -6.5874 -6.5874 -5.1843 -5.1843 -5.0400 -5.0400 -1.2985 -1.2985 -0.2991 -0.2991 2.0883 2.0883 2.2096 2.2096 3.2800 3.2800 3.7630 3.7630 4.0689 4.0689 5.1684 5.1684 5.4694 5.4694 5.7833 5.7833 8.3066 8.3066 10.8952 10.8952 11.1322 11.1322 12.2161 12.2161 15.1283 15.1283 16.6544 16.6544 k = 0.2839 0.2953 0.4082 ( 1668 PWs) bands (ev): -7.1422 -7.1422 -6.6638 -6.6638 -5.1264 -5.1264 -4.9840 -4.9840 -1.2123 -1.2123 -0.1782 -0.1782 2.1614 2.1614 2.3241 2.3241 3.2007 3.2007 3.7413 3.7413 3.9232 3.9232 5.1226 5.1226 5.4662 5.4662 5.7889 5.7889 8.2500 8.2500 10.8485 10.8485 11.0615 11.0615 12.1431 12.1431 15.1052 15.1052 16.7238 16.7238 k = 0.2760 0.2871 0.4082 ( 1672 PWs) bands (ev): -7.2159 -7.2159 -6.7383 -6.7383 -5.0664 -5.0664 -4.9259 -4.9259 -1.1273 -1.1273 -0.0583 -0.0583 2.2352 2.2352 2.4401 2.4401 3.1132 3.1132 3.7202 3.7202 3.7750 3.7750 5.0838 5.0838 5.4650 5.4650 5.7953 5.7953 8.1926 8.1926 10.8032 10.8032 10.9877 10.9877 12.0719 12.0719 15.0866 15.0866 16.7878 16.7878 k = 0.2682 0.2789 0.4082 ( 1672 PWs) bands (ev): -7.2878 -7.2878 -6.8110 -6.8110 -5.0043 -5.0043 -4.8658 -4.8658 -1.0434 -1.0434 0.0606 0.0606 2.3092 2.3092 2.5571 2.5571 3.0181 3.0181 3.6247 3.6247 3.7001 3.7001 5.0518 5.0518 5.4661 5.4661 5.8025 5.8025 8.1345 8.1345 10.7594 10.7594 10.9114 10.9114 12.0026 12.0026 15.0723 15.0723 16.8447 16.8447 k = 0.2603 0.2707 0.4082 ( 1672 PWs) bands (ev): -7.3580 -7.3580 -6.8817 -6.8817 -4.9402 -4.9402 -4.8038 -4.8038 -0.9607 -0.9607 0.1786 0.1786 2.3831 2.3831 2.6747 2.6747 2.9159 2.9159 3.4728 3.4728 3.6809 3.6809 5.0261 5.0261 5.4697 5.4697 5.8101 5.8101 8.0760 8.0760 10.7170 10.7170 10.8329 10.8329 11.9351 11.9351 15.0622 15.0622 16.8926 16.8926 k = 0.2524 0.2625 0.4082 ( 1680 PWs) bands (ev): -7.4263 -7.4263 -6.9504 -6.9504 -4.8741 -4.8741 -4.7397 -4.7397 -0.8791 -0.8791 0.2955 0.2955 2.4564 2.4564 2.7922 2.7922 2.8072 2.8072 3.3193 3.3193 3.6630 3.6630 5.0064 5.0064 5.4758 5.4758 5.8184 5.8184 8.0174 8.0174 10.6762 10.6762 10.7528 10.7528 11.8693 11.8693 15.0560 15.0560 16.9292 16.9292 k = 0.2445 0.2543 0.4082 ( 1680 PWs) bands (ev): -7.4929 -7.4929 -7.0172 -7.0172 -4.8058 -4.8058 -4.6737 -4.6737 -0.7985 -0.7985 0.4113 0.4113 2.5286 2.5286 2.6927 2.6927 2.9090 2.9090 3.1646 3.1646 3.6468 3.6468 4.9917 4.9917 5.4844 5.4844 5.8267 5.8267 7.9592 7.9592 10.6369 10.6369 10.6718 10.6718 11.8056 11.8056 15.0533 15.0533 16.9525 16.9525 k = 0.2366 0.2461 0.4082 ( 1684 PWs) bands (ev): -7.5575 -7.5575 -7.0820 -7.0820 -4.7357 -4.7357 -4.6057 -4.6057 -0.7190 -0.7190 0.5261 0.5261 2.5734 2.5734 2.5993 2.5993 3.0092 3.0092 3.0243 3.0243 3.6328 3.6328 4.9817 4.9817 5.4956 5.4956 5.8353 5.8353 7.9016 7.9016 10.5904 10.5904 10.5992 10.5992 11.7439 11.7439 15.0538 15.0538 16.9606 16.9606 k = 0.2287 0.2379 0.4082 ( 1684 PWs) bands (ev): -7.6202 -7.6202 -7.1448 -7.1448 -4.6635 -4.6635 -4.5358 -4.5358 -0.6406 -0.6406 0.6399 0.6399 2.4499 2.4499 2.6679 2.6679 2.8533 2.8533 3.1366 3.1366 3.6217 3.6217 4.9758 4.9758 5.5091 5.5091 5.8440 5.8440 7.8452 7.8452 10.5094 10.5094 10.5631 10.5631 11.6841 11.6841 15.0570 15.0570 16.9524 16.9524 k = 0.2208 0.2297 0.4082 ( 1682 PWs) bands (ev): -7.6810 -7.6810 -7.2056 -7.2056 -4.5893 -4.5893 -4.4639 -4.4639 -0.5633 -0.5633 0.7528 0.7528 2.3226 2.3226 2.6969 2.6969 2.7341 2.7341 3.2441 3.2441 3.6154 3.6154 4.9734 4.9734 5.5247 5.5247 5.8528 5.8528 7.7905 7.7905 10.4293 10.4293 10.5287 10.5287 11.6262 11.6262 15.0625 15.0625 16.9279 16.9279 k = 0.2129 0.2215 0.4082 ( 1682 PWs) bands (ev): -7.7399 -7.7399 -7.2644 -7.2644 -4.5132 -4.5132 -4.3902 -4.3902 -0.4872 -0.4872 0.8647 0.8647 2.1923 2.1923 2.5402 2.5402 2.7974 2.7974 3.3422 3.3422 3.6177 3.6177 4.9741 4.9741 5.5420 5.5420 5.8616 5.8616 7.7383 7.7383 10.3509 10.3509 10.4959 10.4959 11.5702 11.5702 15.0701 15.0701 16.8881 16.8881 k = 0.2051 0.2133 0.4082 ( 1682 PWs) bands (ev): -7.7967 -7.7967 -7.3211 -7.3211 -4.4351 -4.4351 -4.3145 -4.3145 -0.4123 -0.4123 0.9757 0.9757 2.0594 2.0594 2.3835 2.3835 2.8574 2.8574 3.4216 3.4216 3.6375 3.6375 4.9773 4.9773 5.5603 5.5603 5.8703 5.8703 7.6891 7.6891 10.2748 10.2748 10.4646 10.4646 11.5163 11.5163 15.0790 15.0790 16.8349 16.8349 k = 0.1972 0.2051 0.4082 ( 1684 PWs) bands (ev): -7.8516 -7.8516 -7.3758 -7.3758 -4.3552 -4.3552 -4.2370 -4.2370 -0.3386 -0.3386 1.0858 1.0858 1.9245 1.9245 2.2269 2.2269 2.9139 2.9139 3.4704 3.4704 3.6863 3.6863 4.9827 4.9827 5.5788 5.5788 5.8789 5.8789 7.6440 7.6440 10.2017 10.2017 10.4350 10.4350 11.4643 11.4643 15.0888 15.0888 16.7706 16.7706 k = 0.1893 0.1969 0.4082 ( 1688 PWs) bands (ev): -7.9044 -7.9044 -7.4284 -7.4284 -4.2734 -4.2734 -4.1577 -4.1577 -0.2663 -0.2663 1.1951 1.1951 1.7879 1.7879 2.0705 2.0705 2.9666 2.9666 3.4918 3.4918 3.7600 3.7600 4.9899 4.9899 5.5966 5.5966 5.8874 5.8874 7.6039 7.6039 10.1323 10.1323 10.4070 10.4070 11.4142 11.4142 15.0992 15.0992 16.6977 16.6977 k = 0.1814 0.1887 0.4082 ( 1688 PWs) bands (ev): -7.9552 -7.9552 -7.4790 -7.4790 -4.1897 -4.1897 -4.0765 -4.0765 -0.1955 -0.1955 1.3035 1.3035 1.6501 1.6501 1.9146 1.9146 3.0155 3.0155 3.5004 3.5004 3.8441 3.8441 4.9986 4.9986 5.6124 5.6124 5.8957 5.8957 7.5699 7.5699 10.0673 10.0673 10.3805 10.3805 11.3662 11.3662 15.1096 15.1096 16.6184 16.6184 k = 0.1735 0.1805 0.4082 ( 1684 PWs) bands (ev): -8.0039 -8.0039 -7.5274 -7.5274 -4.1043 -4.1043 -3.9936 -3.9936 -0.1261 -0.1261 1.4111 1.4111 1.5114 1.5114 1.7593 1.7593 3.0604 3.0604 3.5046 3.5046 3.9292 3.9292 5.0085 5.0085 5.6252 5.6252 5.9037 5.9037 7.5432 7.5432 10.0073 10.0073 10.3557 10.3557 11.3202 11.3202 15.1196 15.1196 16.5348 16.5348 k = 0.1656 0.1723 0.4082 ( 1676 PWs) bands (ev): -8.0505 -8.0505 -7.5738 -7.5738 -4.0171 -4.0171 -3.9089 -3.9089 -0.0584 -0.0584 1.3721 1.3721 1.5179 1.5179 1.6047 1.6047 3.1015 3.1015 3.5080 3.5080 4.0115 4.0115 5.0194 5.0194 5.6333 5.6333 5.9116 5.9116 7.5247 7.5247 9.9529 9.9529 10.3324 10.3324 11.2762 11.2762 15.1287 15.1287 16.4486 16.4486 k = 0.1577 0.1641 0.4082 ( 1676 PWs) bands (ev): -8.0951 -8.0951 -7.6180 -7.6180 -3.9282 -3.9282 -3.8225 -3.8225 0.0075 0.0075 1.2325 1.2325 1.4510 1.4510 1.6239 1.6239 3.1386 3.1386 3.5123 3.5123 4.0887 4.0887 5.0308 5.0308 5.6357 5.6357 5.9191 5.9191 7.5152 7.5152 9.9045 9.9045 10.3105 10.3105 11.2342 11.2342 15.1362 15.1362 16.3609 16.3609 k = 0.1499 0.1559 0.4082 ( 1676 PWs) bands (ev): -8.1375 -8.1375 -7.6602 -7.6602 -3.8376 -3.8376 -3.7345 -3.7345 0.0714 0.0714 1.0928 1.0928 1.2984 1.2984 1.7290 1.7290 3.1720 3.1720 3.5181 3.5181 4.1596 4.1596 5.0430 5.0430 5.6311 5.6311 5.9264 5.9264 7.5156 7.5156 9.8628 9.8628 10.2901 10.2901 11.1941 11.1941 15.1421 15.1421 16.2729 16.2729 k = 0.1420 0.1477 0.4082 ( 1672 PWs) bands (ev): -8.1779 -8.1779 -7.7002 -7.7002 -3.7455 -3.7455 -3.6449 -3.6449 0.1333 0.1333 0.9533 0.9533 1.1469 1.1469 1.8332 1.8332 3.2019 3.2019 3.5259 3.5259 4.2234 4.2234 5.0555 5.0555 5.6190 5.6190 5.9334 5.9334 7.5260 7.5260 9.8280 9.8280 10.2712 10.2712 11.1561 11.1561 15.1458 15.1458 16.1855 16.1855 k = 0.1341 0.1395 0.4082 ( 1676 PWs) bands (ev): -8.2161 -8.2161 -7.7382 -7.7382 -3.6519 -3.6519 -3.5538 -3.5538 0.1929 0.1929 0.8143 0.8143 0.9968 0.9968 1.9364 1.9364 3.2285 3.2285 3.5361 3.5361 4.2794 4.2794 5.0682 5.0682 5.5987 5.5987 5.9400 5.9400 7.5462 7.5462 9.8004 9.8004 10.2536 10.2536 11.1201 11.1201 15.1469 15.1469 16.0993 16.0993 k = 0.1262 0.1312 0.4082 ( 1676 PWs) bands (ev): -8.2521 -8.2521 -7.7739 -7.7739 -3.5570 -3.5570 -3.4613 -3.4613 0.2502 0.2502 0.6760 0.6760 0.8482 0.8482 2.0385 2.0385 3.2521 3.2521 3.5488 3.5488 4.3271 4.3271 5.0808 5.0808 5.5705 5.5705 5.9463 5.9463 7.5758 7.5758 9.7800 9.7800 10.2374 10.2374 11.0861 11.0861 15.1451 15.1451 16.0150 16.0150 k = 0.1183 0.1230 0.4082 ( 1680 PWs) bands (ev): -8.2861 -8.2861 -7.8076 -7.8076 -3.4608 -3.4608 -3.3675 -3.3675 0.3049 0.3049 0.5385 0.5385 0.7014 0.7014 2.1393 2.1393 3.2730 3.2730 3.5641 3.5641 4.3664 4.3664 5.0934 5.0934 5.5346 5.5346 5.9522 5.9522 7.6138 7.6138 9.7670 9.7670 10.2224 10.2224 11.0541 11.0541 15.1402 15.1402 15.9330 15.9330 k = 0.1104 0.1148 0.4082 ( 1676 PWs) bands (ev): -8.3178 -8.3178 -7.8391 -7.8391 -3.3634 -3.3634 -3.2724 -3.2724 0.3569 0.3569 0.4023 0.4023 0.5565 0.5565 2.2387 2.2387 3.2914 3.2914 3.5823 3.5823 4.3970 4.3970 5.1057 5.1057 5.4918 5.4918 5.9578 5.9578 7.6588 7.6588 9.7609 9.7609 10.2088 10.2088 11.0242 11.0242 15.1321 15.1321 15.8537 15.8537 k = 0.1025 0.1066 0.4082 ( 1676 PWs) bands (ev): -8.3475 -8.3475 -7.8684 -7.8684 -3.2653 -3.2653 -3.1764 -3.1764 0.2674 0.2674 0.4059 0.4059 0.4138 0.4138 2.3363 2.3363 3.3076 3.3076 3.6033 3.6033 4.4191 4.4191 5.1177 5.1177 5.4429 5.4429 5.9630 5.9630 7.7094 7.7094 9.7614 9.7614 10.1963 10.1963 10.9963 10.9963 15.1209 15.1209 15.7776 15.7776 k = 0.0946 0.0984 0.4082 ( 1672 PWs) bands (ev): -8.3749 -8.3749 -7.8956 -7.8956 -3.1665 -3.1665 -3.0794 -3.0794 0.1343 0.1343 0.2734 0.2734 0.4521 0.4521 2.4319 2.4319 3.3221 3.3221 3.6271 3.6271 4.4328 4.4328 5.1293 5.1293 5.3891 5.3891 5.9678 5.9678 7.7642 7.7642 9.7680 9.7680 10.1851 10.1851 10.9705 10.9705 15.1066 15.1066 15.7050 15.7050 k = 0.0868 0.0902 0.4082 ( 1672 PWs) bands (ev): -8.4002 -8.4002 -7.9206 -7.9206 -3.0673 -3.0673 -2.9820 -2.9820 0.0032 0.0032 0.1360 0.1360 0.4950 0.4950 2.5249 2.5249 3.3349 3.3349 3.6537 3.6537 4.4383 4.4383 5.1402 5.1402 5.3313 5.3313 5.9723 5.9723 7.8213 7.8213 9.7798 9.7798 10.1749 10.1749 10.9467 10.9467 15.0894 15.0894 15.6361 15.6361 k = 0.0789 0.0820 0.4082 ( 1672 PWs) bands (ev): -8.4233 -8.4233 -7.9435 -7.9435 -2.9683 -2.9683 -2.8843 -2.8843 -0.1254 -0.1254 0.0019 0.0019 0.5346 0.5346 2.6148 2.6148 3.3465 3.3465 3.6831 3.6831 4.4361 4.4361 5.1505 5.1505 5.2708 5.2708 5.9763 5.9763 7.8794 7.8794 9.7959 9.7959 10.1658 10.1658 10.9249 10.9249 15.0700 15.0700 15.5715 15.5715 k = 0.0710 0.0738 0.4082 ( 1676 PWs) bands (ev): -8.4442 -8.4442 -7.9642 -7.9642 -2.8698 -2.8698 -2.7868 -2.7868 -0.2510 -0.2510 -0.1285 -0.1285 0.5707 0.5707 2.7011 2.7011 3.3572 3.3572 3.7151 3.7151 4.4268 4.4268 5.1600 5.1600 5.2087 5.2087 5.9799 5.9799 7.9370 7.9370 9.8154 9.8154 10.1577 10.1577 10.9052 10.9052 15.0486 15.0486 15.5115 15.5115 k = 0.0631 0.0656 0.4082 ( 1676 PWs) bands (ev): -8.4629 -8.4629 -7.9827 -7.9827 -2.7726 -2.7726 -2.6901 -2.6901 -0.3730 -0.3730 -0.2542 -0.2542 0.6032 0.6032 2.7827 2.7827 3.3672 3.3672 3.7495 3.7495 4.4110 4.4110 5.1462 5.1462 5.1688 5.1688 5.9832 5.9832 7.9926 7.9926 9.8372 9.8372 10.1506 10.1506 10.8876 10.8876 15.0262 15.0262 15.4564 15.4564 k = 0.0552 0.0574 0.4082 ( 1676 PWs) bands (ev): -8.4794 -8.4794 -7.9991 -7.9991 -2.6778 -2.6778 -2.5951 -2.5951 -0.4904 -0.4904 -0.3743 -0.3743 0.6322 0.6322 2.8587 2.8587 3.3769 3.3769 3.7860 3.7860 4.3896 4.3896 5.0851 5.0851 5.1766 5.1766 5.9861 5.9861 8.0450 8.0450 9.8601 9.8601 10.1444 10.1444 10.8720 10.8720 15.0035 15.0035 15.4065 15.4065 k = 0.0473 0.0492 0.4082 ( 1682 PWs) bands (ev): -8.4937 -8.4937 -8.0133 -8.0133 -2.5865 -2.5865 -2.5030 -2.5030 -0.6022 -0.6022 -0.4876 -0.4876 0.6574 0.6574 2.9278 2.9278 3.3866 3.3866 3.8243 3.8243 4.3631 4.3631 5.0264 5.0264 5.1835 5.1835 5.9886 5.9886 8.0929 8.0929 9.8829 9.8829 10.1392 10.1392 10.8585 10.8585 14.9812 14.9812 15.3623 15.3623 k = 0.0394 0.0410 0.4082 ( 1680 PWs) bands (ev): -8.5059 -8.5059 -8.0253 -8.0253 -2.5005 -2.5005 -2.4152 -2.4152 -0.7065 -0.7065 -0.5921 -0.5921 0.6789 0.6789 2.9888 2.9888 3.3964 3.3964 3.8639 3.8639 4.3327 4.3327 4.9721 4.9721 5.1895 5.1895 5.9907 5.9907 8.1355 8.1355 9.9046 9.9046 10.1348 10.1348 10.8471 10.8471 14.9605 14.9605 15.3242 15.3242 k = 0.0315 0.0328 0.4082 ( 1684 PWs) bands (ev): -8.5158 -8.5158 -8.0351 -8.0351 -2.4224 -2.4224 -2.3345 -2.3345 -0.8009 -0.8009 -0.6855 -0.6855 0.6965 0.6965 3.0400 3.0400 3.4065 3.4065 3.9041 3.9041 4.2995 4.2995 4.9236 4.9236 5.1944 5.1944 5.9923 5.9923 8.1716 8.1716 9.9239 9.9239 10.1311 10.1311 10.8376 10.8376 14.9421 14.9421 15.2925 15.2925 k = 0.0237 0.0246 0.4082 ( 1684 PWs) bands (ev): -8.5236 -8.5236 -8.0428 -8.0428 -2.3552 -2.3552 -2.2639 -2.2639 -0.8820 -0.8820 -0.7646 -0.7646 0.7102 0.7102 3.0805 3.0805 3.4162 3.4162 3.9435 3.9435 4.2652 4.2652 4.8832 4.8832 5.1983 5.1983 5.9937 5.9937 8.2005 8.2005 9.9400 9.9400 10.1284 10.1284 10.8303 10.8303 14.9268 14.9268 15.2674 15.2674 k = 0.0158 0.0164 0.4082 ( 1676 PWs) bands (ev): -8.5291 -8.5291 -8.0482 -8.0482 -2.3027 -2.3027 -2.2079 -2.2079 -0.9457 -0.9457 -0.8256 -0.8256 0.7201 0.7201 3.1095 3.1095 3.4247 3.4247 3.9800 3.9800 4.2323 4.2323 4.8526 4.8526 5.2011 5.2011 5.9947 5.9947 8.2217 8.2217 9.9521 9.9521 10.1265 10.1265 10.8251 10.8251 14.9154 14.9154 15.2494 15.2494 k = 0.0079 0.0082 0.4082 ( 1676 PWs) bands (ev): -8.5324 -8.5324 -8.0515 -8.0515 -2.2689 -2.2689 -2.1713 -2.1713 -0.9868 -0.9868 -0.8644 -0.8644 0.7260 0.7260 3.1268 3.1268 3.4306 3.4306 4.0084 4.0084 4.2058 4.2058 4.8335 4.8335 5.2027 5.2027 5.9953 5.9953 8.2345 8.2345 9.9596 9.9596 10.1253 10.1253 10.8220 10.8220 14.9084 14.9084 15.2384 15.2384 k = 0.0000 0.0000 0.4082 ( 1680 PWs) bands (ev): -8.5335 -8.5335 -8.0526 -8.0526 -2.2573 -2.2573 -2.1586 -2.1586 -1.0010 -1.0010 -0.8778 -0.8778 0.7280 0.7280 3.1326 3.1326 3.4327 3.4327 4.0200 4.0200 4.1949 4.1949 4.8270 4.8270 5.2033 5.2033 5.9954 5.9954 8.2388 8.2388 9.9622 9.9622 10.1249 10.1249 10.8208 10.8208 14.9058 14.9058 15.2348 15.2348 k = 0.0000 0.0000 0.4082 ( 1680 PWs) bands (ev): -8.5335 -8.5335 -8.0526 -8.0526 -2.2573 -2.2573 -2.1586 -2.1586 -1.0010 -1.0010 -0.8778 -0.8778 0.7280 0.7280 3.1326 3.1326 3.4327 3.4327 4.0200 4.0200 4.1949 4.1949 4.8270 4.8270 5.2033 5.2033 5.9954 5.9954 8.2388 8.2388 9.9622 9.9622 10.1249 10.1249 10.8208 10.8208 14.9058 14.9058 15.2348 15.2348 k = 0.0000 0.0000 0.3968 ( 1676 PWs) bands (ev): -8.5449 -8.5449 -8.0392 -8.0392 -2.2606 -2.2606 -2.1616 -2.1616 -0.9961 -0.9961 -0.8730 -0.8730 0.7214 0.7214 3.1250 3.1250 3.4321 3.4321 4.0256 4.0256 4.1944 4.1944 4.8354 4.8354 5.2000 5.2000 5.9930 5.9930 8.2410 8.2410 9.9636 9.9636 10.1181 10.1181 10.8273 10.8273 14.9009 14.9009 15.2389 15.2389 k = 0.0000 0.0000 0.3855 ( 1684 PWs) bands (ev): -8.5759 -8.5759 -8.0024 -8.0024 -2.2705 -2.2705 -2.1705 -2.1705 -0.9815 -0.9815 -0.8589 -0.8589 0.7017 0.7017 3.1034 3.1034 3.4302 3.4302 4.0411 4.0411 4.1930 4.1930 4.8606 4.8606 5.1901 5.1901 5.9856 5.9856 8.2476 8.2476 9.9678 9.9678 10.0984 10.0984 10.8456 10.8456 14.8863 14.8863 15.2504 15.2504 k = 0.0000 0.0000 0.3741 ( 1680 PWs) bands (ev): -8.6199 -8.6199 -7.9485 -7.9485 -2.2863 -2.2863 -2.1849 -2.1849 -0.9577 -0.9577 -0.8359 -0.8359 0.6692 0.6692 3.0707 3.0707 3.4273 3.4273 4.0642 4.0642 4.1908 4.1908 4.9024 4.9024 5.1737 5.1737 5.9733 5.9733 8.2585 8.2585 9.9749 9.9749 10.0676 10.0676 10.8742 10.8742 14.8640 14.8640 15.2676 15.2676 k = 0.0000 0.0000 0.3628 ( 1681 PWs) bands (ev): -8.6715 -8.6715 -7.8833 -7.8833 -2.3075 -2.3075 -2.2041 -2.2041 -0.9254 -0.9254 -0.8045 -0.8045 0.6241 0.6241 3.0302 3.0302 3.4232 3.4232 4.0913 4.0913 4.1877 4.1877 4.9599 4.9599 5.1508 5.1508 5.9562 5.9562 8.2737 8.2737 9.9846 9.9846 10.0279 10.0279 10.9110 10.9110 14.8358 14.8358 15.2885 15.2885 k = 0.0000 0.0000 0.3515 ( 1677 PWs) bands (ev): -8.7269 -8.7269 -7.8102 -7.8102 -2.3332 -2.3332 -2.2275 -2.2275 -0.8855 -0.8855 -0.7655 -0.7655 0.5671 0.5671 2.9851 2.9851 3.4181 3.4181 4.1199 4.1199 4.1837 4.1837 5.0323 5.0323 5.1217 5.1217 5.9344 5.9344 8.2932 8.2932 9.9813 9.9813 9.9973 9.9973 10.9545 10.9545 14.8034 14.8034 15.3117 15.3117 k = 0.0000 0.0000 0.3401 ( 1679 PWs) bands (ev): -8.7839 -8.7839 -7.7318 -7.7318 -2.3625 -2.3625 -2.2543 -2.2543 -0.8388 -0.8388 -0.7196 -0.7196 0.4988 0.4988 2.9379 2.9379 3.4119 3.4119 4.1482 4.1482 4.1790 4.1790 5.0863 5.0863 5.1179 5.1179 5.9078 5.9078 8.3167 8.3167 9.9297 9.9297 10.0123 10.0123 11.0024 11.0024 14.7679 14.7679 15.3360 15.3360 k = 0.0000 0.0000 0.3288 ( 1679 PWs) bands (ev): -8.8413 -8.8413 -7.6490 -7.6490 -2.3947 -2.3947 -2.2838 -2.2838 -0.7862 -0.7862 -0.6676 -0.6676 0.4199 0.4199 2.8906 2.8906 3.4047 3.4047 4.1734 4.1734 4.1755 4.1755 5.0450 5.0450 5.2148 5.2148 5.8765 5.8765 8.3441 8.3441 9.8744 9.8744 10.0299 10.0299 11.0540 11.0540 14.7298 14.7298 15.3605 15.3605 k = 0.0000 0.0000 0.3175 ( 1675 PWs) bands (ev): -8.8983 -8.8983 -7.5629 -7.5629 -2.4290 -2.4290 -2.3154 -2.3154 -0.7285 -0.7285 -0.6102 -0.6102 0.3314 0.3314 2.8444 2.8444 3.3966 3.3966 4.1673 4.1673 4.2013 4.2013 4.9981 4.9981 5.3211 5.3211 5.8409 5.8409 8.3754 8.3754 9.8166 9.8166 10.0499 10.0499 11.1084 11.1084 14.6901 14.6901 15.3846 15.3846 k = 0.0000 0.0000 0.3061 ( 1677 PWs) bands (ev): -8.9544 -8.9544 -7.4739 -7.4739 -2.4648 -2.4648 -2.3484 -2.3484 -0.6663 -0.6663 -0.5479 -0.5479 0.2341 0.2341 2.8000 2.8000 3.3876 3.3876 4.1606 4.1606 4.2258 4.2258 4.9454 4.9454 5.4349 5.4349 5.8008 5.8008 8.4102 8.4102 9.7569 9.7569 10.0721 10.0721 11.1650 11.1650 14.6487 14.6487 15.4081 15.4081 k = 0.0000 0.0000 0.2948 ( 1673 PWs) bands (ev): -9.0093 -9.0093 -7.3824 -7.3824 -2.5015 -2.5015 -2.3823 -2.3823 -0.6004 -0.6004 -0.4813 -0.4813 0.1291 0.1291 2.7579 2.7579 3.3779 3.3779 4.1533 4.1533 4.2492 4.2492 4.8876 4.8876 5.5546 5.5546 5.7566 5.7566 8.4485 8.4485 9.6963 9.6963 10.0964 10.0964 11.2236 11.2236 14.6063 14.6063 15.4305 15.4305 k = 0.0000 0.0000 0.2834 ( 1681 PWs) bands (ev): -9.0627 -9.0627 -7.2888 -7.2888 -2.5387 -2.5387 -2.4167 -2.4167 -0.5313 -0.5313 -0.4110 -0.4110 0.0172 0.0172 2.7183 2.7183 3.3676 3.3676 4.1454 4.1454 4.2717 4.2717 4.8246 4.8246 5.6787 5.6787 5.7083 5.7083 8.4898 8.4898 9.6352 9.6352 10.1226 10.1226 11.2836 11.2836 14.5628 14.5628 15.4517 15.4517 k = 0.0000 0.0000 0.2721 ( 1681 PWs) bands (ev): -9.1144 -9.1144 -7.1931 -7.1931 -2.5759 -2.5759 -2.4512 -2.4512 -0.4593 -0.4593 -0.3373 -0.3373 -0.1006 -0.1006 2.6811 2.6811 3.3567 3.3567 4.1372 4.1372 4.2935 4.2935 4.7571 4.7571 5.6562 5.6562 5.8060 5.8060 8.5342 8.5342 9.5741 9.5741 10.1505 10.1505 11.3449 11.3449 14.5186 14.5186 15.4716 15.4716 k = 0.0000 0.0000 0.2608 ( 1679 PWs) bands (ev): -9.1644 -9.1644 -7.0956 -7.0956 -2.6129 -2.6129 -2.4855 -2.4855 -0.3851 -0.3851 -0.2605 -0.2605 -0.2234 -0.2234 2.6464 2.6464 3.3453 3.3453 4.1286 4.1286 4.3148 4.3148 4.6851 4.6851 5.6007 5.6007 5.9355 5.9355 8.5813 8.5813 9.5136 9.5136 10.1799 10.1799 11.4073 11.4073 14.4737 14.4737 15.4901 15.4901 k = 0.0000 0.0000 0.2494 ( 1675 PWs) bands (ev): -9.2125 -9.2125 -6.9965 -6.9965 -2.6494 -2.6494 -2.5193 -2.5193 -0.3504 -0.3504 -0.3089 -0.3089 -0.1809 -0.1809 2.6141 2.6141 3.3335 3.3335 4.1198 4.1198 4.3355 4.3355 4.6090 4.6090 5.5418 5.5418 6.0659 6.0659 8.6309 8.6309 9.4539 9.4539 10.2106 10.2106 11.4706 11.4706 14.4283 14.4283 15.5071 15.5071 k = 0.0000 0.0000 0.2381 ( 1675 PWs) bands (ev): -9.2588 -9.2588 -6.8959 -6.8959 -2.6851 -2.6851 -2.5526 -2.5526 -0.4807 -0.4807 -0.2312 -0.2312 -0.0990 -0.0990 2.5839 2.5839 3.3215 3.3215 4.1107 4.1107 4.3559 4.3559 4.5292 4.5292 5.4799 5.4799 6.1964 6.1964 8.6824 8.6824 9.3954 9.3954 10.2423 10.2423 11.5347 11.5347 14.3826 14.3826 15.5225 15.5225 k = 0.0000 0.0000 0.2268 ( 1671 PWs) bands (ev): -9.3030 -9.3030 -6.7940 -6.7940 -2.7199 -2.7199 -2.5849 -2.5849 -0.6138 -0.6138 -0.1523 -0.1523 -0.0147 -0.0147 2.5557 2.5557 3.3093 3.3093 4.1016 4.1016 4.3758 4.3758 4.4459 4.4459 5.4153 5.4153 6.3264 6.3264 8.7359 8.7359 9.3384 9.3384 10.2749 10.2749 11.5992 11.5992 14.3365 14.3365 15.5365 15.5365 k = 0.0000 0.0000 0.2154 ( 1667 PWs) bands (ev): -9.3453 -9.3453 -6.6910 -6.6910 -2.7536 -2.7536 -2.6163 -2.6163 -0.7488 -0.7488 -0.0725 -0.0725 0.0716 0.0716 2.5296 2.5296 3.2970 3.2970 4.0925 4.0925 4.3594 4.3594 4.3954 4.3954 5.3483 5.3483 6.4552 6.4552 8.7909 8.7909 9.2832 9.2832 10.3080 10.3080 11.6639 11.6639 14.2903 14.2903 15.5491 15.5491 k = 0.0000 0.0000 0.2041 ( 1667 PWs) bands (ev): -9.3855 -9.3855 -6.5870 -6.5870 -2.7860 -2.7860 -2.6465 -2.6465 -0.8852 -0.8852 0.0078 0.0078 0.1596 0.1596 2.5051 2.5051 3.2847 3.2847 4.0833 4.0833 4.2702 4.2702 4.4143 4.4143 5.2793 5.2793 6.5821 6.5821 8.8470 8.8470 9.2299 9.2299 10.3414 10.3414 11.7288 11.7288 14.2442 14.2442 15.5602 15.5602 k = 0.0000 0.0000 0.1927 ( 1671 PWs) bands (ev): -9.4237 -9.4237 -6.4823 -6.4823 -2.8172 -2.8172 -2.6756 -2.6756 -1.0222 -1.0222 0.0882 0.0882 0.2492 0.2492 2.4823 2.4823 3.2725 3.2725 4.0742 4.0742 4.1783 4.1783 4.4328 4.4328 5.2087 5.2087 6.7064 6.7064 8.9040 8.9040 9.1789 9.1789 10.3748 10.3748 11.7935 11.7935 14.1982 14.1982 15.5700 15.5700 k = 0.0000 0.0000 0.1814 ( 1671 PWs) bands (ev): -9.4597 -9.4597 -6.3770 -6.3770 -2.8469 -2.8469 -2.7032 -2.7032 -1.1594 -1.1594 0.1685 0.1685 0.3401 0.3401 2.4611 2.4611 3.2606 3.2606 4.0652 4.0652 4.0845 4.0845 4.4508 4.4508 5.1369 5.1369 6.8277 6.8277 8.9614 8.9614 9.1302 9.1302 10.4079 10.4079 11.8578 11.8578 14.1525 14.1525 15.5786 15.5786 k = 0.0000 0.0000 0.1701 ( 1671 PWs) bands (ev): -9.4937 -9.4937 -6.2716 -6.2716 -2.8751 -2.8751 -2.7295 -2.7295 -1.2961 -1.2961 0.2482 0.2482 0.4321 0.4321 2.4414 2.4414 3.2489 3.2489 3.9889 3.9889 4.0566 4.0566 4.4681 4.4681 5.0644 5.0644 6.9453 6.9453 9.0188 9.0188 9.0840 9.0840 10.4405 10.4405 11.9213 11.9213 14.1075 14.1075 15.5860 15.5860 k = 0.0000 0.0000 0.1587 ( 1667 PWs) bands (ev): -9.5255 -9.5255 -6.1661 -6.1661 -2.9017 -2.9017 -2.7544 -2.7544 -1.4317 -1.4317 0.3269 0.3269 0.5252 0.5252 2.4232 2.4232 3.2376 3.2376 3.8919 3.8919 4.0482 4.0482 4.4847 4.4847 4.9918 4.9918 7.0588 7.0588 9.0405 9.0405 9.0759 9.0759 10.4723 10.4723 11.9838 11.9838 14.0632 14.0632 15.5924 15.5924 k = 0.0000 0.0000 0.1474 ( 1663 PWs) bands (ev): -9.5551 -9.5551 -6.0612 -6.0612 -2.9267 -2.9267 -2.7777 -2.7777 -1.5657 -1.5657 0.4042 0.4042 0.6187 0.6187 2.4063 2.4063 3.2268 3.2268 3.7940 3.7940 4.0401 4.0401 4.5005 4.5005 4.9195 4.9195 7.1676 7.1676 8.9997 8.9997 9.1321 9.1321 10.5029 10.5029 12.0450 12.0450 14.0199 14.0199 15.5978 15.5978 k = 0.0000 0.0000 0.1361 ( 1663 PWs) bands (ev): -9.5826 -9.5826 -5.9571 -5.9571 -2.9500 -2.9500 -2.7994 -2.7994 -1.6973 -1.6973 0.4796 0.4796 0.7126 0.7126 2.3908 2.3908 3.2164 3.2164 3.6956 3.6956 4.0324 4.0324 4.5155 4.5155 4.8482 4.8482 7.2711 7.2711 8.9617 8.9617 9.1871 9.1871 10.5321 10.5321 12.1044 12.1044 13.9779 13.9779 15.6024 15.6024 k = 0.0000 0.0000 0.1247 ( 1671 PWs) bands (ev): -9.6080 -9.6080 -5.8545 -5.8545 -2.9716 -2.9716 -2.8196 -2.8196 -1.8259 -1.8259 0.5525 0.5525 0.8063 0.8063 2.3766 2.3766 3.2066 3.2066 3.5970 3.5970 4.0250 4.0250 4.5295 4.5295 4.7784 4.7784 7.3687 7.3687 8.9265 8.9265 9.2401 9.2401 10.5597 10.5597 12.1615 12.1615 13.9375 13.9375 15.6062 15.6062 k = 0.0000 0.0000 0.1134 ( 1675 PWs) bands (ev): -9.6312 -9.6312 -5.7539 -5.7539 -2.9914 -2.9914 -2.8380 -2.8380 -1.9507 -1.9507 0.6224 0.6224 0.8996 0.8996 2.3637 2.3637 3.1974 3.1974 3.4988 3.4988 4.0182 4.0182 4.5426 4.5426 4.7108 4.7108 7.4601 7.4601 8.8943 8.8943 9.2911 9.2911 10.5855 10.5855 12.2161 12.2161 13.8990 13.8990 15.6093 15.6093 k = 0.0000 0.0000 0.1020 ( 1679 PWs) bands (ev): -9.6522 -9.6522 -5.6562 -5.6562 -3.0094 -3.0094 -2.8548 -2.8548 -2.0706 -2.0706 0.6887 0.6887 0.9917 0.9917 2.3521 2.3521 3.1890 3.1890 3.4020 3.4020 4.0120 4.0120 4.5546 4.5546 4.6462 4.6462 7.5447 7.5447 8.8651 8.8651 9.3393 9.3393 10.6091 10.6091 12.2676 12.2676 13.8628 13.8628 15.6118 15.6118 k = 0.0000 0.0000 0.0907 ( 1671 PWs) bands (ev): -9.6709 -9.6709 -5.5623 -5.5623 -3.0255 -3.0255 -2.8699 -2.8699 -2.1846 -2.1846 0.7508 0.7508 1.0820 1.0820 2.3417 2.3417 3.1813 3.1813 3.3073 3.3073 4.0063 4.0063 4.5654 4.5654 4.5857 4.5857 7.6222 7.6222 8.8390 8.8390 9.3844 9.3844 10.6307 10.6307 12.3156 12.3156 13.8293 13.8293 15.6139 15.6139 k = 0.0000 0.0000 0.0794 ( 1671 PWs) bands (ev): -9.6875 -9.6875 -5.4735 -5.4735 -3.0398 -3.0398 -2.8833 -2.8833 -2.2915 -2.2915 0.8080 0.8080 1.1696 1.1696 2.3326 2.3326 3.1745 3.1745 3.2156 3.2156 4.0012 4.0012 4.5292 4.5292 4.5755 4.5755 7.6917 7.6917 8.8158 8.8158 9.4256 9.4256 10.6498 10.6498 12.3595 12.3595 13.7986 13.7986 15.6155 15.6155 k = 0.0000 0.0000 0.0680 ( 1675 PWs) bands (ev): -9.7019 -9.7019 -5.3909 -5.3909 -3.0523 -3.0523 -2.8949 -2.8949 -2.3899 -2.3899 0.8595 0.8595 1.2532 1.2532 2.3246 2.3246 3.1283 3.1283 3.1684 3.1684 3.9967 3.9967 4.4784 4.4784 4.5840 4.5840 7.7530 7.7530 8.7958 8.7958 9.4626 9.4626 10.6665 10.6665 12.3988 12.3988 13.7712 13.7712 15.6168 15.6168 k = 0.0000 0.0000 0.0567 ( 1675 PWs) bands (ev): -9.7141 -9.7141 -5.3163 -5.3163 -3.0628 -3.0628 -2.9047 -2.9047 -2.4780 -2.4780 0.9046 0.9046 1.3312 1.3312 2.3179 2.3179 3.0471 3.0471 3.1632 3.1632 3.9929 3.9929 4.4336 4.4336 4.5913 4.5913 7.8057 7.8057 8.7788 8.7788 9.4948 9.4948 10.6807 10.6807 12.4330 12.4330 13.7474 13.7474 15.6178 15.6178 k = 0.0000 0.0000 0.0454 ( 1675 PWs) bands (ev): -9.7241 -9.7241 -5.2514 -5.2514 -3.0715 -3.0715 -2.9128 -2.9128 -2.5540 -2.5540 0.9426 0.9426 1.4014 1.4014 2.3125 2.3125 2.9740 2.9740 3.1590 3.1590 3.9896 3.9896 4.3956 4.3956 4.5973 4.5973 7.8494 7.8494 8.7649 8.7649 9.5219 9.5219 10.6922 10.6922 12.4618 12.4618 13.7274 13.7274 15.6186 15.6186 k = 0.0000 0.0000 0.0340 ( 1675 PWs) bands (ev): -9.7318 -9.7318 -5.1982 -5.1982 -3.0782 -3.0782 -2.9191 -2.9191 -2.6159 -2.6159 0.9729 0.9729 1.4612 1.4612 2.3082 2.3082 2.9120 2.9120 3.1556 3.1556 3.9872 3.9872 4.3654 4.3654 4.6020 4.6020 7.8837 7.8837 8.7541 8.7541 9.5434 9.5434 10.7012 10.7012 12.4846 12.4846 13.7116 13.7116 15.6191 15.6191 k = 0.0000 0.0000 0.0227 ( 1675 PWs) bands (ev): -9.7374 -9.7374 -5.1585 -5.1585 -3.0830 -3.0830 -2.9236 -2.9236 -2.6618 -2.6618 0.9951 0.9951 1.5075 1.5075 2.3052 2.3052 2.8641 2.8641 3.1532 3.1532 3.9854 3.9854 4.3433 4.3433 4.6054 4.6054 7.9084 7.9084 8.7463 8.7463 9.5590 9.5590 10.7077 10.7077 12.5012 12.5012 13.7002 13.7002 15.6194 15.6194 k = 0.0000 0.0000 0.0113 ( 1673 PWs) bands (ev): -9.7407 -9.7407 -5.1339 -5.1339 -3.0859 -3.0859 -2.9263 -2.9263 -2.6902 -2.6902 1.0085 1.0085 1.5369 1.5369 2.3033 2.3033 2.8338 2.8338 3.1518 3.1518 3.9843 3.9843 4.3299 4.3299 4.6075 4.6075 7.9232 7.9232 8.7417 8.7417 9.5684 9.5684 10.7115 10.7115 12.5112 12.5112 13.6933 13.6933 15.6196 15.6196 k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): -9.7418 -9.7418 -5.1256 -5.1256 -3.0869 -3.0869 -2.9272 -2.9272 -2.6998 -2.6998 1.0130 1.0130 1.5471 1.5471 2.3027 2.3027 2.8233 2.8233 3.1513 3.1513 3.9839 3.9839 4.3254 4.3254 4.6082 4.6082 7.9282 7.9282 8.7401 8.7401 9.5716 9.5716 10.7128 10.7128 12.5146 12.5146 13.6908 13.6908 15.6197 15.6197 k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): -9.7418 -9.7418 -5.1256 -5.1256 -3.0869 -3.0869 -2.9272 -2.9272 -2.6998 -2.6998 1.0130 1.0130 1.5471 1.5471 2.3027 2.3027 2.8233 2.8233 3.1513 3.1513 3.9839 3.9839 4.3254 4.3254 4.6082 4.6082 7.9282 7.9282 8.7401 8.7401 9.5716 9.5716 10.7128 10.7128 12.5146 12.5146 13.6908 13.6908 15.6197 15.6197 k =-0.0082 0.0079 0.0000 ( 1675 PWs) bands (ev): -9.7408 -9.7408 -5.1254 -5.1254 -3.0881 -3.0881 -2.9293 -2.9293 -2.6989 -2.6989 1.0099 1.0099 1.5449 1.5449 2.3055 2.3055 2.8214 2.8214 3.1557 3.1557 3.9860 3.9860 4.3240 4.3240 4.6077 4.6077 7.9254 7.9254 8.7419 8.7419 9.5729 9.5729 10.7150 10.7150 12.5089 12.5089 13.6939 13.6939 15.6212 15.6212 k =-0.0164 0.0158 0.0000 ( 1671 PWs) bands (ev): -9.7377 -9.7377 -5.1248 -5.1248 -3.0917 -3.0917 -2.9354 -2.9354 -2.6963 -2.6963 1.0005 1.0005 1.5384 1.5384 2.3138 2.3138 2.8159 2.8159 3.1689 3.1689 3.9923 3.9923 4.3197 4.3197 4.6064 4.6064 7.9170 7.9170 8.7471 8.7471 9.5768 9.5768 10.7218 10.7218 12.4919 12.4919 13.7032 13.7032 15.6254 15.6254 k =-0.0246 0.0236 0.0000 ( 1667 PWs) bands (ev): -9.7325 -9.7325 -5.1238 -5.1238 -3.0976 -3.0976 -2.9457 -2.9457 -2.6920 -2.6920 0.9849 0.9849 1.5277 1.5277 2.3275 2.3275 2.8073 2.8073 3.1904 3.1904 4.0026 4.0026 4.3127 4.3127 4.6041 4.6041 7.9035 7.9035 8.7552 8.7552 9.5833 9.5833 10.7330 10.7330 12.4640 12.4640 13.7185 13.7185 15.6318 15.6318 k =-0.0328 0.0315 0.0000 ( 1668 PWs) bands (ev): -9.7254 -9.7254 -5.1224 -5.1224 -3.1057 -3.1057 -2.9598 -2.9598 -2.6861 -2.6861 0.9632 0.9632 1.5128 1.5128 2.3465 2.3465 2.7960 2.7960 3.2194 3.2194 4.0168 4.0168 4.3029 4.3029 4.6003 4.6003 7.8860 7.8860 8.7656 8.7656 9.5923 9.5923 10.7486 10.7486 12.4255 12.4255 13.7396 13.7396 15.6397 15.6397 k =-0.0410 0.0394 0.0000 ( 1672 PWs) bands (ev): -9.7161 -9.7161 -5.1208 -5.1208 -3.1160 -3.1160 -2.9779 -2.9779 -2.6784 -2.6784 0.9356 0.9356 1.4940 1.4940 2.3706 2.3706 2.7825 2.7825 3.2554 3.2554 4.0348 4.0348 4.2904 4.2904 4.5949 4.5949 7.8652 7.8652 8.7778 8.7778 9.6038 9.6038 10.7686 10.7686 12.3770 12.3770 13.7667 13.7667 15.6476 15.6476 k =-0.0492 0.0473 0.0000 ( 1672 PWs) bands (ev): -9.7049 -9.7049 -5.1189 -5.1189 -3.1281 -3.1281 -2.9996 -2.9996 -2.6690 -2.6690 0.9022 0.9022 1.4715 1.4715 2.3997 2.3997 2.7672 2.7672 3.2980 3.2980 4.0564 4.0564 4.2752 4.2752 4.5874 4.5874 7.8425 7.8425 8.7909 8.7909 9.6179 9.6179 10.7930 10.7930 12.3193 12.3193 13.7996 13.7996 15.6540 15.6540 k =-0.0574 0.0552 0.0000 ( 1672 PWs) bands (ev): -9.6916 -9.6916 -5.1168 -5.1168 -3.1420 -3.1420 -3.0249 -3.0249 -2.6580 -2.6580 0.8633 0.8633 1.4455 1.4455 2.4335 2.4335 2.7504 2.7504 3.3467 3.3467 4.0812 4.0812 4.2576 4.2576 4.5773 4.5773 7.8189 7.8189 8.8044 8.8044 9.6345 9.6345 10.8217 10.8217 12.2531 12.2531 13.8381 13.8381 15.6564 15.6564 k =-0.0656 0.0630 0.0000 ( 1674 PWs) bands (ev): -9.6762 -9.6762 -5.1145 -5.1145 -3.1573 -3.1573 -3.0534 -3.0534 -2.6452 -2.6452 0.8192 0.8192 1.4163 1.4163 2.4717 2.4717 2.7322 2.7322 3.4012 3.4012 4.1091 4.1091 4.2376 4.2376 4.5642 4.5642 7.7955 7.7955 8.8175 8.8175 9.6536 9.6536 10.8547 10.8547 12.1793 12.1793 13.8821 13.8821 15.6525 15.6525 k =-0.0738 0.0709 0.0000 ( 1662 PWs) bands (ev): -9.6588 -9.6588 -5.1122 -5.1122 -3.1739 -3.1739 -3.0851 -3.0851 -2.6309 -2.6309 0.7701 0.7701 1.3843 1.3843 2.5141 2.5141 2.7127 2.7127 3.4613 3.4613 4.1399 4.1399 4.2154 4.2154 4.5475 4.5475 7.7735 7.7735 8.8298 8.8298 9.6753 9.6753 10.8921 10.8921 12.0989 12.0989 13.9317 13.9317 15.6401 15.6401 k =-0.0820 0.0788 0.0000 ( 1662 PWs) bands (ev): -9.6394 -9.6394 -5.1100 -5.1100 -3.1913 -3.1913 -3.1197 -3.1197 -2.6149 -2.6149 0.7162 0.7162 1.3496 1.3496 2.5601 2.5601 2.6920 2.6920 3.5265 3.5265 4.1731 4.1731 4.1911 4.1911 4.5267 4.5267 7.7535 7.7535 8.8407 8.8407 9.6991 9.6991 10.9335 10.9335 12.0128 12.0128 13.9862 13.9862 15.6177 15.6177 k =-0.0902 0.0867 0.0000 ( 1662 PWs) bands (ev): -9.6180 -9.6180 -5.1079 -5.1079 -3.2095 -3.2095 -3.1569 -3.1569 -2.5973 -2.5973 0.6579 0.6579 1.3125 1.3125 2.6096 2.6096 2.6702 2.6702 3.5968 3.5968 4.1649 4.1649 4.2085 4.2085 4.5015 4.5015 7.7365 7.7365 8.8498 8.8498 9.7254 9.7254 10.9789 10.9789 11.9219 11.9219 14.0458 14.0458 15.5855 15.5855 k =-0.0984 0.0946 0.0000 ( 1662 PWs) bands (ev): -9.5946 -9.5946 -5.1060 -5.1060 -3.2279 -3.2279 -3.1966 -3.1966 -2.5781 -2.5781 0.5955 0.5955 1.2734 1.2734 2.6471 2.6471 2.6621 2.6621 3.6717 3.6717 4.1369 4.1369 4.2460 4.2460 4.4714 4.4714 7.7231 7.7231 8.8569 8.8569 9.7539 9.7539 11.0284 11.0284 11.8270 11.8270 14.1102 14.1102 15.5448 15.5448 k =-0.1066 0.1025 0.0000 ( 1662 PWs) bands (ev): -9.5693 -9.5693 -5.1046 -5.1046 -3.2464 -3.2464 -3.2384 -3.2384 -2.5574 -2.5574 0.5291 0.5291 1.2325 1.2325 2.6231 2.6231 2.7169 2.7169 3.7511 3.7511 4.1075 4.1075 4.2852 4.2852 4.4362 4.4362 7.7139 7.7139 8.8614 8.8614 9.7848 9.7848 11.0818 11.0818 11.7292 11.7292 14.1792 14.1792 15.4973 15.4973 k =-0.1148 0.1103 0.0000 ( 1664 PWs) bands (ev): -9.5420 -9.5420 -5.1037 -5.1037 -3.2823 -3.2823 -3.2647 -3.2647 -2.5352 -2.5352 0.4591 0.4591 1.1900 1.1900 2.5981 2.5981 2.7737 2.7737 3.8346 3.8346 4.0769 4.0769 4.3260 4.3260 4.3958 4.3958 7.7093 7.7093 8.8632 8.8632 9.8178 9.8178 11.1390 11.1390 11.6292 11.6292 14.2526 14.2526 15.4451 15.4451 k =-0.1230 0.1182 0.0000 ( 1664 PWs) bands (ev): -9.5127 -9.5127 -5.1034 -5.1034 -3.3278 -3.3278 -3.2822 -3.2822 -2.5115 -2.5115 0.3856 0.3856 1.1462 1.1462 2.5721 2.5721 2.8319 2.8319 3.9222 3.9222 4.0453 4.0453 4.3501 4.3501 4.3682 4.3682 7.7096 7.7096 8.8621 8.8621 9.8530 9.8530 11.2000 11.2000 11.5279 11.5279 14.3301 14.3301 15.3902 15.3902 k =-0.1311 0.1261 0.0000 ( 1670 PWs) bands (ev): -9.4815 -9.4815 -5.1039 -5.1039 -3.3748 -3.3748 -3.2989 -3.2989 -2.4863 -2.4863 0.3090 0.3090 1.1013 1.1013 2.5451 2.5451 2.8908 2.8908 4.0119 4.0119 4.0144 4.0144 4.2990 4.2990 4.4114 4.4114 7.7147 7.7147 8.8576 8.8576 9.8904 9.8904 11.2646 11.2646 11.4261 11.4261 14.4116 14.4116 15.3342 15.3342 k =-0.1393 0.1340 0.0000 ( 1672 PWs) bands (ev): -9.4484 -9.4484 -5.1054 -5.1054 -3.4230 -3.4230 -3.3143 -3.3143 -2.4598 -2.4598 0.2294 0.2294 1.0555 1.0555 2.5174 2.5174 2.9498 2.9498 3.9807 3.9807 4.1077 4.1077 4.2430 4.2430 4.4555 4.4555 7.7249 7.7249 8.8497 8.8497 9.9300 9.9300 11.3247 11.3247 11.3328 11.3328 14.4967 14.4967 15.2785 15.2785 k =-0.1475 0.1419 0.0000 ( 1676 PWs) bands (ev): -9.4133 -9.4133 -5.1079 -5.1079 -3.4723 -3.4723 -3.3282 -3.3282 -2.4319 -2.4319 0.1472 0.1472 1.0091 1.0091 2.4889 2.4889 3.0080 3.0080 3.9487 3.9487 4.1822 4.1822 4.2052 4.2052 4.5005 4.5005 7.7398 7.7398 8.8380 8.8380 9.9715 9.9715 11.2242 11.2242 11.4043 11.4043 14.5852 14.5852 15.2243 15.2243 k =-0.1557 0.1497 0.0000 ( 1688 PWs) bands (ev): -9.3765 -9.3765 -5.1116 -5.1116 -3.5225 -3.5225 -3.3402 -3.3402 -2.4027 -2.4027 0.0624 0.0624 0.9620 0.9620 2.4596 2.4596 3.0644 3.0644 3.9175 3.9175 4.1170 4.1170 4.3054 4.3054 4.5460 4.5460 7.7592 7.7592 8.8225 8.8225 10.0151 10.0151 11.1257 11.1257 11.4789 11.4789 14.6768 14.6768 15.1728 15.1728 k =-0.1639 0.1576 0.0000 ( 1688 PWs) bands (ev): -9.3377 -9.3377 -5.1165 -5.1165 -3.5733 -3.5733 -3.3502 -3.3502 -2.3723 -2.3723 -0.0246 -0.0246 0.9147 0.9147 2.4298 2.4298 3.1178 3.1178 3.8884 3.8884 4.0479 4.0479 4.4080 4.4080 4.5920 4.5920 7.7831 7.7831 8.8034 8.8034 10.0607 10.0607 11.0299 11.0299 11.5568 11.5568 14.7715 14.7715 15.1249 15.1249 k =-0.1721 0.1655 0.0000 ( 1694 PWs) bands (ev): -9.2971 -9.2971 -5.1229 -5.1229 -3.6245 -3.6245 -3.3579 -3.3579 -2.3408 -2.3408 -0.1139 -0.1139 0.8670 0.8670 2.3994 2.3994 3.1668 3.1668 3.8623 3.8623 3.9752 3.9752 4.5129 4.5129 4.6384 4.6384 7.8109 7.8109 8.7799 8.7799 10.1083 10.1083 10.9374 10.9374 11.6376 11.6376 14.8687 14.8687 15.0813 15.0813 k =-0.1803 0.1734 0.0000 ( 1696 PWs) bands (ev): -9.2547 -9.2547 -5.1307 -5.1307 -3.6761 -3.6761 -3.3632 -3.3632 -2.3082 -2.3082 -0.2049 -0.2049 0.8195 0.8195 2.3687 2.3687 3.2095 3.2095 3.8404 3.8404 3.8995 3.8995 4.6198 4.6198 4.6850 4.6850 7.8422 7.8422 8.7519 8.7519 10.1578 10.1578 10.8487 10.8487 11.7214 11.7214 14.9684 14.9684 15.0427 15.0427 k =-0.1885 0.1813 0.0000 ( 1696 PWs) bands (ev): -9.2105 -9.2105 -5.1400 -5.1400 -3.7278 -3.7278 -3.3658 -3.3658 -2.2746 -2.2746 -0.2976 -0.2976 0.7720 0.7720 2.3376 2.3376 3.2441 3.2441 3.8211 3.8211 3.8248 3.8248 4.7283 4.7283 4.7318 4.7318 7.8767 7.8767 8.7199 8.7199 10.2092 10.2092 10.7650 10.7650 11.8080 11.8080 15.0098 15.0098 15.0701 15.0701 k =-0.1967 0.1891 0.0000 ( 1696 PWs) bands (ev): -9.1646 -9.1646 -5.1508 -5.1508 -3.7795 -3.7795 -3.3657 -3.3657 -2.2402 -2.2402 -0.3919 -0.3919 0.7247 0.7247 2.3062 2.3062 3.2684 3.2684 3.7410 3.7410 3.8164 3.8164 4.7785 4.7785 4.8380 4.8380 7.9140 7.9140 8.6835 8.6835 10.2624 10.2624 10.6866 10.6866 11.8970 11.8970 14.9829 14.9829 15.1736 15.1736 k =-0.2049 0.1970 0.0000 ( 1696 PWs) bands (ev): -9.1170 -9.1170 -5.1631 -5.1631 -3.8310 -3.8310 -3.3627 -3.3627 -2.2052 -2.2052 -0.4873 -0.4873 0.6777 0.6777 2.2746 2.2746 3.2814 3.2814 3.6591 3.6591 3.8166 3.8166 4.8251 4.8251 4.9488 4.9488 7.9537 7.9537 8.6429 8.6429 10.3174 10.3174 10.6143 10.6143 11.9883 11.9883 14.9625 14.9625 15.2786 15.2786 k =-0.2131 0.2049 0.0000 ( 1696 PWs) bands (ev): -9.0678 -9.0678 -5.1769 -5.1769 -3.8822 -3.8822 -3.3569 -3.3569 -2.1696 -2.1696 -0.5837 -0.5837 0.6312 0.6312 2.2430 2.2430 3.2827 3.2827 3.5760 3.5760 3.8252 3.8252 4.8716 4.8716 5.0604 5.0604 7.9953 7.9953 8.5980 8.5980 10.3742 10.3742 10.5486 10.5486 12.0817 12.0817 14.9489 14.9489 15.3847 15.3847 k =-0.2213 0.2128 0.0000 ( 1692 PWs) bands (ev): -9.0169 -9.0169 -5.1921 -5.1921 -3.9330 -3.9330 -3.3482 -3.3482 -2.1338 -2.1338 -0.6807 -0.6807 0.5852 0.5852 2.2113 2.2113 3.2733 3.2733 3.4923 3.4923 3.8407 3.8407 4.9178 4.9178 5.1726 5.1726 8.0386 8.0386 8.5489 8.5489 10.4328 10.4328 10.4902 10.4902 12.1772 12.1772 14.9424 14.9424 15.4918 15.4918 k =-0.2295 0.2207 0.0000 ( 1692 PWs) bands (ev): -8.9645 -8.9645 -5.2087 -5.2087 -3.9833 -3.9833 -3.3367 -3.3367 -2.0981 -2.0981 -0.7781 -0.7781 0.5397 0.5397 2.1797 2.1797 3.2551 3.2551 3.4084 3.4084 3.8608 3.8608 4.9636 4.9636 5.2848 5.2848 8.0831 8.0831 8.4959 8.4959 10.4394 10.4394 10.4931 10.4931 12.2745 12.2745 14.9430 14.9430 15.5994 15.5994 k =-0.2377 0.2285 0.0000 ( 1688 PWs) bands (ev): -8.9105 -8.9105 -5.2265 -5.2265 -4.0330 -4.0330 -3.3224 -3.3224 -2.0629 -2.0629 -0.8752 -0.8752 0.4950 0.4950 2.1483 2.1483 3.2301 3.2301 3.3245 3.3245 3.8835 3.8835 5.0091 5.0091 5.3970 5.3970 8.1286 8.1286 8.4392 8.4392 10.3970 10.3970 10.5550 10.5550 12.3734 12.3734 14.9507 14.9507 15.7073 15.7073 k =-0.2459 0.2364 0.0000 ( 1688 PWs) bands (ev): -8.8551 -8.8551 -5.2454 -5.2454 -4.0819 -4.0819 -3.3055 -3.3055 -2.0289 -2.0289 -0.9713 -0.9713 0.4511 0.4511 2.1171 2.1171 3.2001 3.2001 3.2411 3.2411 3.9064 3.9064 5.0541 5.0541 5.5088 5.5088 8.1747 8.1747 8.3789 8.3789 10.3633 10.3633 10.6185 10.6185 12.4737 12.4737 14.9657 14.9657 15.8150 15.8150 k =-0.2541 0.2443 0.0000 ( 1684 PWs) bands (ev): -8.7983 -8.7983 -5.2653 -5.2653 -4.1299 -4.1299 -3.2860 -3.2860 -1.9971 -1.9971 -1.0655 -1.0655 0.4080 0.4080 2.0861 2.0861 3.1584 3.1584 3.1667 3.1667 3.9281 3.9281 5.0985 5.0985 5.6200 5.6200 8.2207 8.2207 8.3158 8.3158 10.3387 10.3387 10.6836 10.6836 12.5752 12.5752 14.9878 14.9878 15.9223 15.9223 k =-0.2623 0.2522 0.0000 ( 1684 PWs) bands (ev): -8.7402 -8.7402 -5.2861 -5.2861 -4.1771 -4.1771 -3.2642 -3.2642 -1.9688 -1.9688 -1.1562 -1.1562 0.3658 0.3658 2.0555 2.0555 3.0769 3.0769 3.1304 3.1304 3.9474 3.9474 5.1422 5.1422 5.7302 5.7302 8.2433 8.2433 8.2732 8.2732 10.3234 10.3234 10.7502 10.7502 12.6776 12.6776 15.0170 15.0170 16.0288 16.0288 k =-0.2705 0.2601 0.0000 ( 1686 PWs) bands (ev): -8.6808 -8.6808 -5.3075 -5.3075 -4.2232 -4.2232 -3.2400 -3.2400 -1.9464 -1.9464 -1.2411 -1.2411 0.3245 0.3245 2.0253 2.0253 2.9966 2.9966 3.0925 3.0925 3.9634 3.9634 5.1853 5.1853 5.8393 5.8393 8.1774 8.1774 8.3162 8.3162 10.3177 10.3177 10.8182 10.8182 12.7808 12.7808 15.0529 15.0529 16.1339 16.1339 k =-0.2787 0.2679 0.0000 ( 1688 PWs) bands (ev): -8.6202 -8.6202 -5.3296 -5.3296 -4.2683 -4.2683 -3.2139 -3.2139 -1.9334 -1.9334 -1.3166 -1.3166 0.2843 0.2843 1.9957 1.9957 2.9179 2.9179 3.0533 3.0533 3.9756 3.9756 5.2275 5.2275 5.9470 5.9470 8.1059 8.1059 8.3622 8.3622 10.3217 10.3217 10.8875 10.8875 12.8844 12.8844 15.0954 15.0954 16.2373 16.2373 k =-0.2869 0.2758 0.0000 ( 1692 PWs) bands (ev): -8.5586 -8.5586 -5.3520 -5.3520 -4.3122 -4.3122 -3.1858 -3.1858 -1.9348 -1.9348 -1.3777 -1.3777 0.2452 0.2452 1.9665 1.9665 2.8410 2.8410 3.0133 3.0133 3.9836 3.9836 5.2690 5.2690 6.0530 6.0530 8.0323 8.0323 8.4079 8.4079 10.3353 10.3353 10.9581 10.9581 12.9883 12.9883 15.1443 15.1443 16.3384 16.3384 k =-0.2951 0.2837 0.0000 ( 1692 PWs) bands (ev): -8.4959 -8.4959 -5.3747 -5.3747 -4.3548 -4.3548 -3.1560 -3.1560 -1.9555 -1.9555 -1.4193 -1.4193 0.2072 0.2072 1.9380 1.9380 2.7661 2.7661 2.9728 2.9728 3.9872 3.9872 5.3096 5.3096 6.1570 6.1570 7.9569 7.9569 8.4531 8.4531 10.3587 10.3587 11.0299 11.0299 13.0922 13.0922 15.1992 15.1992 16.4365 16.4365 k =-0.3033 0.2916 0.0000 ( 1688 PWs) bands (ev): -8.4324 -8.4324 -5.3975 -5.3975 -4.3963 -4.3963 -3.1248 -3.1248 -1.9979 -1.9979 -1.4390 -1.4390 0.1703 0.1703 1.9102 1.9102 2.6932 2.6932 2.9321 2.9321 3.9866 3.9866 5.3494 5.3494 6.2588 6.2588 7.8804 7.8804 8.4974 8.4974 10.3916 10.3916 11.1027 11.1027 13.1960 13.1960 15.2598 15.2598 16.5308 16.5308 k =-0.3115 0.2995 0.0000 ( 1696 PWs) bands (ev): -8.3681 -8.3681 -5.4203 -5.4203 -4.4364 -4.4364 -3.0922 -3.0922 -2.0594 -2.0594 -1.4392 -1.4392 0.1347 0.1347 1.8831 1.8831 2.6226 2.6226 2.8914 2.8914 3.9817 3.9817 5.3880 5.3880 6.3581 6.3581 7.8030 7.8030 8.5409 8.5409 10.4337 10.4337 11.1762 11.1762 13.2989 13.2989 15.3258 15.3258 16.6202 16.6202 k =-0.3197 0.3074 0.0000 ( 1700 PWs) bands (ev): -8.3033 -8.3033 -5.4429 -5.4429 -4.4751 -4.4751 -3.0586 -3.0586 -2.1349 -2.1349 -1.4252 -1.4252 0.1004 0.1004 1.8568 1.8568 2.5544 2.5544 2.8509 2.8509 3.9728 3.9728 5.4256 5.4256 6.4546 6.4546 7.7252 7.7252 8.5832 8.5832 10.4846 10.4846 11.2504 11.2504 13.4011 13.4011 15.3968 15.3968 16.7031 16.7031 k =-0.3279 0.3152 0.0000 ( 1704 PWs) bands (ev): -8.2379 -8.2379 -5.4653 -5.4653 -4.5123 -4.5123 -3.0241 -3.0241 -2.2193 -2.2193 -1.4018 -1.4018 0.0673 0.0673 1.8313 1.8313 2.4887 2.4887 2.8106 2.8106 3.9603 3.9603 5.4621 5.4621 6.5483 6.5483 7.6475 7.6475 8.6243 8.6243 10.5441 10.5441 11.3252 11.3252 13.5021 13.5021 15.4723 15.4723 16.7773 16.7773 k =-0.3361 0.3231 0.0000 ( 1704 PWs) bands (ev): -8.1722 -8.1722 -5.4873 -5.4873 -4.5481 -4.5481 -2.9890 -2.9890 -2.3091 -2.3091 -1.3725 -1.3725 0.0356 0.0356 1.8067 1.8067 2.4256 2.4256 2.7708 2.7708 3.9445 3.9445 5.4974 5.4974 6.6389 6.6389 7.5701 7.5701 8.6642 8.6642 10.6115 10.6115 11.4002 11.4002 13.6017 13.6017 15.5521 15.5521 16.8393 16.8393 k =-0.3443 0.3310 0.0000 ( 1704 PWs) bands (ev): -8.1064 -8.1064 -5.5088 -5.5088 -4.5824 -4.5824 -2.9534 -2.9534 -2.4018 -2.4018 -1.3395 -1.3395 0.0052 0.0052 1.7830 1.7830 2.3652 2.3652 2.7316 2.7316 3.9258 3.9258 5.5315 5.5315 6.7260 6.7260 7.4935 7.4935 8.7027 8.7027 10.6863 10.6863 11.4750 11.4750 13.6995 13.6995 15.6357 15.6357 16.8843 16.8843 k =-0.3525 0.3389 0.0000 ( 1700 PWs) bands (ev): -8.0407 -8.0407 -5.5297 -5.5297 -4.6151 -4.6151 -2.9176 -2.9176 -2.4958 -2.4958 -1.3045 -1.3045 -0.0238 -0.0238 1.7603 1.7603 2.3076 2.3076 2.6931 2.6931 3.9049 3.9049 5.5642 5.5642 6.8100 6.8100 7.4182 7.4182 8.7396 8.7396 10.7681 10.7681 11.5499 11.5499 13.7952 13.7952 15.7226 15.7226 16.9050 16.9050 k =-0.3607 0.3468 0.0000 ( 1698 PWs) bands (ev): -7.9752 -7.9752 -5.5499 -5.5499 -4.6462 -4.6462 -2.8819 -2.8819 -2.5900 -2.5900 -1.2685 -1.2685 -0.0513 -0.0513 1.7386 1.7386 2.2527 2.2527 2.6554 2.6554 3.8818 3.8818 5.5956 5.5956 6.8901 6.8901 7.3443 7.3443 8.7750 8.7750 10.8562 10.8562 11.6241 11.6241 13.8886 13.8886 15.8124 15.8124 16.8945 16.8945 k =-0.3689 0.3546 0.0000 ( 1698 PWs) bands (ev): -7.9104 -7.9104 -5.5694 -5.5694 -4.6757 -4.6757 -2.8465 -2.8465 -2.6834 -2.6834 -1.2321 -1.2321 -0.0774 -0.0774 1.7180 1.7180 2.2008 2.2008 2.6186 2.6186 3.8573 3.8573 5.6256 5.6256 6.9663 6.9663 7.2723 7.2723 8.8088 8.8088 10.9495 10.9495 11.6974 11.6974 13.9792 13.9792 15.9045 15.9045 16.8496 16.8496 k =-0.3770 0.3625 0.0000 ( 1698 PWs) bands (ev): -7.8463 -7.8463 -5.5880 -5.5880 -4.7036 -4.7036 -2.8115 -2.8115 -2.7754 -2.7754 -1.1959 -1.1959 -0.1021 -0.1021 1.6984 1.6984 2.1517 2.1517 2.5828 2.5828 3.8319 3.8319 5.6541 5.6541 7.0385 7.0385 7.2027 7.2027 8.8408 8.8408 11.0474 11.0474 11.7694 11.7694 14.0666 14.0666 15.9987 15.9987 16.7738 16.7738 k =-0.3852 0.3704 0.0000 ( 1696 PWs) bands (ev): -7.7834 -7.7834 -5.6057 -5.6057 -4.7297 -4.7297 -2.8653 -2.8653 -2.7773 -2.7773 -1.1603 -1.1603 -0.1252 -0.1252 1.6800 1.6800 2.1056 2.1056 2.5483 2.5483 3.8059 3.8059 5.6810 5.6810 7.1065 7.1065 7.1358 7.1358 8.8711 8.8711 11.1493 11.1493 11.8398 11.8398 14.1506 14.1506 16.0943 16.0943 16.6753 16.6753 k =-0.3934 0.3783 0.0000 ( 1692 PWs) bands (ev): -7.7219 -7.7219 -5.6224 -5.6224 -4.7542 -4.7542 -2.9526 -2.9526 -2.7441 -2.7441 -1.1258 -1.1258 -0.1469 -0.1469 1.6627 1.6627 2.0626 2.0626 2.5152 2.5152 3.7798 3.7798 5.7064 5.7064 7.0718 7.0718 7.1703 7.1703 8.8995 8.8995 11.2541 11.2541 11.9080 11.9080 14.2309 14.2309 16.1906 16.1906 16.5622 16.5622 k =-0.4016 0.3862 0.0000 ( 1692 PWs) bands (ev): -7.6623 -7.6623 -5.6381 -5.6381 -4.7769 -4.7769 -3.0367 -3.0367 -2.7121 -2.7121 -1.0926 -1.0926 -0.1670 -0.1670 1.6466 1.6466 2.0225 2.0225 2.4835 2.4835 3.7541 3.7541 5.7301 5.7301 7.0111 7.0111 7.2297 7.2297 8.9260 8.9260 11.3609 11.3609 11.9738 11.9738 14.3069 14.3069 16.2872 16.2872 16.4405 16.4405 k =-0.4098 0.3940 0.0000 ( 1694 PWs) bands (ev): -7.6048 -7.6048 -5.6528 -5.6528 -4.7979 -4.7979 -3.1171 -3.1171 -2.6816 -2.6816 -1.0609 -1.0609 -0.1855 -0.1855 1.6316 1.6316 1.9855 1.9855 2.4535 2.4535 3.7291 3.7291 5.7521 5.7521 6.9540 6.9540 7.2847 7.2847 8.9505 8.9505 11.4687 11.4687 12.0366 12.0366 14.3786 14.3786 16.3147 16.3147 16.3832 16.3832 k =-0.4180 0.4019 0.0000 ( 1698 PWs) bands (ev): -7.5500 -7.5500 -5.6663 -5.6663 -4.8172 -4.8172 -3.1931 -3.1931 -2.6528 -2.6528 -1.0311 -1.0311 -0.2025 -0.2025 1.6179 1.6179 1.9516 1.9516 2.4252 2.4252 3.7051 3.7051 5.7724 5.7724 6.9008 6.9008 7.3351 7.3351 8.9731 8.9731 11.5763 11.5763 12.0959 12.0959 14.4453 14.4453 16.1883 16.1883 16.4780 16.4780 k =-0.4262 0.4098 0.0000 ( 1698 PWs) bands (ev): -7.4983 -7.4983 -5.6787 -5.6787 -4.8346 -4.8346 -3.2643 -3.2643 -2.6259 -2.6259 -1.0035 -1.0035 -0.2179 -0.2179 1.6054 1.6054 1.9209 1.9209 2.3989 2.3989 3.6825 3.6825 5.7909 5.7909 6.8517 6.8517 7.3809 7.3809 8.9939 8.9939 11.6825 11.6825 12.1514 12.1514 14.5068 14.5068 16.0637 16.0637 16.5707 16.5707 k =-0.4344 0.4177 0.0000 ( 1702 PWs) bands (ev): -7.4501 -7.4501 -5.6898 -5.6898 -4.8503 -4.8503 -3.3301 -3.3301 -2.6012 -2.6012 -0.9781 -0.9781 -0.2318 -0.2318 1.5942 1.5942 1.8932 1.8932 2.3749 2.3749 3.6616 3.6616 5.8075 5.8075 6.8071 6.8071 7.4220 7.4220 9.0124 9.0124 11.7857 11.7857 12.2025 12.2025 14.5626 14.5626 15.9431 15.9431 16.6602 16.6602 k =-0.4426 0.4256 0.0000 ( 1702 PWs) bands (ev): -7.4061 -7.4061 -5.6997 -5.6997 -4.8641 -4.8641 -3.3899 -3.3899 -2.5788 -2.5788 -0.9552 -0.9552 -0.2440 -0.2440 1.5843 1.5843 1.8687 1.8687 2.3532 2.3532 3.6426 3.6426 5.8223 5.8223 6.7672 6.7672 7.4584 7.4584 9.0288 9.0288 11.8843 11.8843 12.2488 12.2488 14.6128 14.6128 15.8286 15.8286 16.7455 16.7455 k =-0.4508 0.4334 0.0000 ( 1700 PWs) bands (ev): -7.3666 -7.3666 -5.7083 -5.7083 -4.8761 -4.8761 -3.4432 -3.4432 -2.5589 -2.5589 -0.9349 -0.9349 -0.2546 -0.2546 1.5756 1.5756 1.8475 1.8475 2.3339 2.3339 3.6258 3.6258 5.8354 5.8354 6.7323 6.7323 7.4901 7.4901 9.0431 9.0431 11.9764 11.9764 12.2901 12.2901 14.6569 14.6569 15.7224 15.7224 16.8251 16.8251 k =-0.4590 0.4413 0.0000 ( 1696 PWs) bands (ev): -7.3321 -7.3321 -5.7157 -5.7157 -4.8863 -4.8863 -3.4894 -3.4894 -2.5418 -2.5418 -0.9174 -0.9174 -0.2636 -0.2636 1.5683 1.5683 1.8295 1.8295 2.3174 2.3174 3.6113 3.6113 5.8465 5.8465 6.7023 6.7023 7.5169 7.5169 9.0552 9.0552 12.0600 12.0600 12.3257 12.3257 14.6947 14.6947 15.6267 15.6267 16.8974 16.8974 k =-0.4672 0.4492 0.0000 ( 1696 PWs) bands (ev): -7.3032 -7.3032 -5.7217 -5.7217 -4.8946 -4.8946 -3.5280 -3.5280 -2.5275 -2.5275 -0.9030 -0.9030 -0.2710 -0.2710 1.5623 1.5623 1.8148 1.8148 2.3036 2.3036 3.5992 3.5992 5.8555 5.8555 6.6775 6.6775 7.5388 7.5388 9.0652 9.0652 12.1328 12.1328 12.3553 12.3553 14.7260 14.7260 15.5439 15.5439 16.9606 16.9606 k =-0.4754 0.4571 0.0000 ( 1696 PWs) bands (ev): -7.2802 -7.2802 -5.7264 -5.7264 -4.9011 -4.9011 -3.5585 -3.5585 -2.5163 -2.5163 -0.8916 -0.8916 -0.2767 -0.2767 1.5577 1.5577 1.8033 1.8033 2.2928 2.2928 3.5897 3.5897 5.8625 5.8625 6.6580 6.6580 7.5560 7.5560 9.0729 9.0729 12.1926 12.1926 12.3786 12.3786 14.7506 14.7506 15.4763 15.4763 17.0128 17.0128 k =-0.4836 0.4650 0.0000 ( 1692 PWs) bands (ev): -7.2635 -7.2635 -5.7298 -5.7298 -4.9057 -4.9057 -3.5806 -3.5806 -2.5082 -2.5082 -0.8834 -0.8834 -0.2808 -0.2808 1.5543 1.5543 1.7951 1.7951 2.2850 2.2850 3.5828 3.5828 5.8675 5.8675 6.6441 6.6441 7.5682 7.5682 9.0785 9.0785 12.2372 12.2372 12.3955 12.3955 14.7682 14.7682 15.4262 15.4262 17.0519 17.0519 k =-0.4918 0.4728 0.0000 ( 1698 PWs) bands (ev): -7.2534 -7.2534 -5.7318 -5.7318 -4.9085 -4.9085 -3.5939 -3.5939 -2.5033 -2.5033 -0.8785 -0.8785 -0.2833 -0.2833 1.5523 1.5523 1.7901 1.7901 2.2802 2.2802 3.5786 3.5786 5.8705 5.8705 6.6357 6.6357 7.5755 7.5755 9.0818 9.0818 12.2648 12.2648 12.4057 12.4057 14.7788 14.7788 15.3953 15.3953 17.0762 17.0762 k =-0.5000 0.4807 0.0000 ( 1692 PWs) bands (ev): -7.2500 -7.2500 -5.7325 -5.7325 -4.9095 -4.9095 -3.5984 -3.5984 -2.5016 -2.5016 -0.8769 -0.8769 -0.2840 -0.2840 1.5517 1.5517 1.7885 1.7885 2.2787 2.2787 3.5773 3.5773 5.8715 5.8715 6.6329 6.6329 7.5780 7.5780 9.0830 9.0830 12.2742 12.2742 12.4091 12.4091 14.7823 14.7823 15.3848 15.3848 17.0845 17.0845 k =-0.5000 0.4807 0.0000 ( 1692 PWs) bands (ev): -7.2500 -7.2500 -5.7325 -5.7325 -4.9095 -4.9095 -3.5984 -3.5984 -2.5016 -2.5016 -0.8769 -0.8769 -0.2840 -0.2840 1.5517 1.5517 1.7885 1.7885 2.2787 2.2787 3.5773 3.5773 5.8715 5.8715 6.6329 6.6329 7.5780 7.5780 9.0830 9.0830 12.2742 12.2742 12.4091 12.4091 14.7823 14.7823 15.3848 15.3848 17.0845 17.0845 k =-0.4937 0.4873-0.0000 ( 1696 PWs) bands (ev): -7.2493 -7.2493 -5.7450 -5.7450 -4.8962 -4.8962 -3.5990 -3.5990 -2.5010 -2.5010 -0.8763 -0.8763 -0.2856 -0.2856 1.5419 1.5419 1.7921 1.7921 2.2887 2.2887 3.5786 3.5786 5.8684 5.8684 6.6332 6.6332 7.5762 7.5762 9.0817 9.0817 12.2731 12.2731 12.4059 12.4059 14.7804 14.7804 15.3866 15.3866 17.0797 17.0797 k =-0.4874 0.4938-0.0000 ( 1692 PWs) bands (ev): -7.2472 -7.2472 -5.7803 -5.7803 -4.8587 -4.8587 -3.6006 -3.6006 -2.4992 -2.4992 -0.8746 -0.8746 -0.2899 -0.2899 1.5143 1.5143 1.8031 1.8031 2.3174 2.3174 3.5826 3.5826 5.8592 5.8592 6.6341 6.6341 7.5708 7.5708 9.0778 9.0778 12.2698 12.2698 12.3961 12.3961 14.7748 14.7748 15.3921 15.3921 17.0655 17.0655 k =-0.4811 0.5004-0.0000 ( 1692 PWs) bands (ev): -7.2437 -7.2437 -5.8333 -5.8333 -4.8018 -4.8018 -3.6034 -3.6034 -2.4961 -2.4961 -0.8718 -0.8718 -0.2969 -0.2969 1.4724 1.4724 1.8212 1.8212 2.3610 2.3610 3.5894 3.5894 5.8439 5.8439 6.6355 6.6355 7.5619 7.5619 9.0714 9.0714 12.2643 12.2643 12.3800 12.3800 14.7655 14.7655 15.4010 15.4010 17.0420 17.0420 k =-0.4811 0.5004-0.0000 ( 1692 PWs) bands (ev): -7.2437 -7.2437 -5.8333 -5.8333 -4.8018 -4.8018 -3.6034 -3.6034 -2.4961 -2.4961 -0.8718 -0.8718 -0.2969 -0.2969 1.4724 1.4724 1.8212 1.8212 2.3610 2.3610 3.5894 3.5894 5.8439 5.8439 6.6355 6.6355 7.5619 7.5619 9.0714 9.0714 12.2643 12.2643 12.3800 12.3800 14.7655 14.7655 15.4010 15.4010 17.0420 17.0420 k =-0.4811 0.5004 0.0113 ( 1693 PWs) bands (ev): -7.2426 -7.2426 -5.8325 -5.8325 -4.8009 -4.8009 -3.6038 -3.6038 -2.5085 -2.5085 -0.8579 -0.8579 -0.3057 -0.3057 1.4809 1.4809 1.8078 1.8078 2.3723 2.3723 3.5899 3.5899 5.8447 5.8447 6.6410 6.6410 7.5611 7.5611 9.0665 9.0665 12.2640 12.2640 12.3790 12.3790 14.7645 14.7645 15.4013 15.4013 17.0413 17.0413 k =-0.4811 0.5004 0.0227 ( 1695 PWs) bands (ev): -7.2394 -7.2394 -5.8301 -5.8301 -4.7981 -4.7981 -3.6050 -3.6050 -2.5443 -2.5443 -0.8173 -0.8173 -0.3318 -0.3318 1.5051 1.5051 1.7720 1.7720 2.4023 2.4023 3.5918 3.5918 5.8470 5.8470 6.6575 6.6575 7.5589 7.5589 9.0517 9.0517 12.2629 12.2629 12.3761 12.3761 14.7612 14.7612 15.4023 15.4023 17.0395 17.0395 k =-0.4811 0.5004 0.0340 ( 1692 PWs) bands (ev): -7.2339 -7.2339 -5.8261 -5.8261 -4.7934 -4.7934 -3.6071 -3.6071 -2.6005 -2.6005 -0.7532 -0.7532 -0.3734 -0.3734 1.5393 1.5393 1.7256 1.7256 2.4424 2.4424 3.5965 3.5965 5.8509 5.8509 6.6846 6.6846 7.5553 7.5553 9.0271 9.0271 12.2612 12.2612 12.3713 12.3713 14.7558 14.7558 15.4040 15.4040 17.0364 17.0364 k =-0.4811 0.5004 0.0454 ( 1692 PWs) bands (ev): -7.2264 -7.2264 -5.8205 -5.8205 -4.7869 -4.7869 -3.6101 -3.6101 -2.6731 -2.6731 -0.6696 -0.6696 -0.4284 -0.4284 1.5613 1.5613 1.6954 1.6954 2.4841 2.4841 3.6059 3.6059 5.8563 5.8563 6.7218 6.7218 7.5501 7.5501 8.9930 8.9930 12.2588 12.2588 12.3647 12.3647 14.7483 14.7483 15.4063 15.4063 17.0322 17.0322 k =-0.4811 0.5004 0.0567 ( 1693 PWs) bands (ev): -7.2166 -7.2166 -5.8133 -5.8133 -4.7785 -4.7785 -3.6140 -3.6140 -2.7581 -2.7581 -0.5703 -0.5703 -0.4945 -0.4945 1.5301 1.5301 1.7246 1.7246 2.5211 2.5211 3.6225 3.6225 5.8633 5.8633 6.7685 6.7685 7.5435 7.5435 8.9495 8.9495 12.2557 12.2557 12.3564 12.3564 14.7387 14.7387 15.4091 15.4091 17.0265 17.0265 k =-0.4811 0.5004 0.0680 ( 1693 PWs) bands (ev): -7.2047 -7.2047 -5.8046 -5.8046 -4.7683 -4.7683 -3.6187 -3.6187 -2.8523 -2.8523 -0.5693 -0.5693 -0.4587 -0.4587 1.4666 1.4666 1.7927 1.7927 2.5486 2.5486 3.6488 3.6488 5.8718 5.8718 6.8239 6.8239 7.5354 7.5354 8.8967 8.8967 12.2517 12.2517 12.3464 12.3464 14.7272 14.7272 15.4126 15.4126 17.0197 17.0197 k =-0.4811 0.5004 0.0794 ( 1689 PWs) bands (ev): -7.1906 -7.1906 -5.7943 -5.7943 -4.7563 -4.7563 -3.6244 -3.6244 -2.9531 -2.9531 -0.6510 -0.6510 -0.3373 -0.3373 1.3948 1.3948 1.8756 1.8756 2.5640 2.5640 3.6865 3.6865 5.8819 5.8819 6.8873 6.8873 7.5258 7.5258 8.8352 8.8352 12.2470 12.2470 12.3350 12.3350 14.7139 14.7139 15.4165 15.4165 17.0115 17.0115 k =-0.4811 0.5004 0.0907 ( 1687 PWs) bands (ev): -7.1744 -7.1744 -5.7825 -5.7825 -4.7425 -4.7425 -3.6310 -3.6310 -3.0586 -3.0586 -0.7380 -0.7380 -0.2084 -0.2084 1.3211 1.3211 1.9659 1.9659 2.5662 2.5662 3.7364 3.7364 5.8934 5.8934 6.9578 6.9578 7.5148 7.5148 8.7651 8.7651 12.2415 12.2415 12.3222 12.3222 14.6989 14.6989 15.4209 15.4209 17.0019 17.0019 k =-0.4811 0.5004 0.1020 ( 1685 PWs) bands (ev): -7.1560 -7.1560 -5.7692 -5.7692 -4.7269 -4.7269 -3.6386 -3.6386 -3.1671 -3.1671 -0.8287 -0.8287 -0.0733 -0.0733 1.2478 1.2478 2.0599 2.0599 2.5564 2.5564 3.7982 3.7982 5.9065 5.9065 7.0344 7.0344 7.5023 7.5023 8.6869 8.6869 12.2350 12.2350 12.3083 12.3083 14.6823 14.6823 15.4258 15.4258 16.9908 16.9908 k =-0.4811 0.5004 0.1134 ( 1691 PWs) bands (ev): -7.1355 -7.1355 -5.7544 -5.7544 -4.7096 -4.7096 -3.6473 -3.6473 -3.2777 -3.2777 -0.9222 -0.9222 0.0668 0.0668 1.1759 1.1759 2.1536 2.1536 2.5381 2.5381 3.8705 3.8705 5.9208 5.9208 7.1165 7.1165 7.4883 7.4883 8.6007 8.6007 12.2275 12.2275 12.2933 12.2933 14.6642 14.6642 15.4309 15.4309 16.9781 16.9781 k =-0.4811 0.5004 0.1247 ( 1693 PWs) bands (ev): -7.1128 -7.1128 -5.7383 -5.7383 -4.6906 -4.6906 -3.6569 -3.6569 -3.3895 -3.3895 -1.0176 -1.0176 0.2111 0.2111 1.1064 1.1064 2.2391 2.2391 2.5199 2.5199 3.9516 3.9516 5.9368 5.9368 7.2034 7.2034 7.4729 7.4729 8.5073 8.5073 12.2191 12.2191 12.2774 12.2774 14.6448 14.6448 15.4364 15.4364 16.9637 16.9637 k =-0.4811 0.5004 0.1361 ( 1691 PWs) bands (ev): -7.0879 -7.0879 -5.7207 -5.7207 -4.6700 -4.6700 -3.6675 -3.6675 -3.5019 -3.5019 -1.1142 -1.1142 0.3590 0.3590 1.0398 1.0398 2.2959 2.2959 2.5232 2.5232 4.0396 4.0396 5.9542 5.9542 7.2942 7.2942 7.4559 7.4559 8.4071 8.4071 12.2097 12.2097 12.2610 12.2610 14.6243 14.6243 15.4422 15.4422 16.9477 16.9477 k =-0.4811 0.5004 0.1474 ( 1692 PWs) bands (ev): -7.0609 -7.0609 -5.7019 -5.7019 -4.6478 -4.6478 -3.6792 -3.6792 -3.6143 -3.6143 -1.2115 -1.2115 0.5098 0.5098 0.9764 0.9764 2.2991 2.2991 2.5742 2.5742 4.1329 4.1329 5.9730 5.9730 7.3882 7.3882 7.4375 7.4375 8.3002 8.3002 12.1991 12.1991 12.2440 12.2440 14.6028 14.6028 15.4482 15.4482 16.9298 16.9298 k =-0.4811 0.5004 0.1587 ( 1692 PWs) bands (ev): -7.0317 -7.0317 -5.6817 -5.6817 -4.6242 -4.6242 -3.7265 -3.7265 -3.6919 -3.6919 -1.3089 -1.3089 0.6631 0.6631 0.9166 0.9166 2.2625 2.2625 2.6597 2.6597 4.2297 4.2297 5.9931 5.9931 7.4176 7.4176 7.4849 7.4849 8.1875 8.1875 12.1874 12.1874 12.2268 12.2268 14.5805 14.5805 15.4544 15.4544 16.9098 16.9098 k =-0.4811 0.5004 0.1701 ( 1694 PWs) bands (ev): -7.0005 -7.0005 -5.6604 -5.6604 -4.5991 -4.5991 -3.8381 -3.8381 -3.7055 -3.7055 -1.4061 -1.4061 0.8186 0.8186 0.8607 0.8607 2.2086 2.2086 2.7581 2.7581 4.3289 4.3289 6.0146 6.0146 7.3962 7.3962 7.5836 7.5836 8.0692 8.0692 12.1744 12.1744 12.2094 12.2094 14.5575 14.5575 15.4606 15.4606 16.8875 16.8875 k =-0.4811 0.5004 0.1814 ( 1690 PWs) bands (ev): -6.9670 -6.9670 -5.6379 -5.6379 -4.5728 -4.5728 -3.9489 -3.9489 -3.7199 -3.7199 -1.5028 -1.5028 0.8088 0.8088 0.9762 0.9762 2.1463 2.1463 2.8610 2.8610 4.4294 4.4294 6.0374 6.0374 7.3734 7.3734 7.6839 7.6839 7.9459 7.9459 12.1602 12.1602 12.1920 12.1920 14.5340 14.5340 15.4670 15.4670 16.8626 16.8626 k =-0.4811 0.5004 0.1927 ( 1684 PWs) bands (ev): -6.9314 -6.9314 -5.6144 -5.6144 -4.5454 -4.5454 -4.0587 -4.0587 -3.7351 -3.7351 -1.5986 -1.5986 0.7612 0.7612 1.1352 1.1352 2.0795 2.0795 2.9650 2.9650 4.5303 4.5303 6.0615 6.0615 7.3489 7.3489 7.7850 7.7850 7.8181 7.8181 12.1447 12.1447 12.1748 12.1748 14.5102 14.5102 15.4735 15.4735 16.8322 16.8322 k =-0.4811 0.5004 0.2041 ( 1683 PWs) bands (ev): -6.8937 -6.8937 -5.5900 -5.5900 -4.5170 -4.5170 -4.1674 -4.1674 -3.7509 -3.7509 -1.6934 -1.6934 0.7179 0.7179 1.2955 1.2955 2.0100 2.0100 3.0685 3.0685 4.6307 4.6307 6.0868 6.0868 7.3228 7.3228 7.6863 7.6863 7.8866 7.8866 12.1278 12.1278 12.1579 12.1579 14.4863 14.4863 15.4799 15.4799 16.7135 16.7135 k =-0.4811 0.5004 0.2154 ( 1685 PWs) bands (ev): -6.8539 -6.8539 -5.5647 -5.5647 -4.4879 -4.4879 -4.2748 -4.2748 -3.7670 -3.7670 -1.7869 -1.7869 0.6791 0.6791 1.4569 1.4569 1.9390 1.9390 3.1705 3.1705 4.7299 4.7299 6.1132 6.1132 7.2944 7.2944 7.5517 7.5517 7.9880 7.9880 12.1096 12.1096 12.1414 12.1414 14.4625 14.4625 15.4863 15.4863 16.5787 16.5787 k =-0.4811 0.5004 0.2268 ( 1687 PWs) bands (ev): -6.8120 -6.8120 -5.5387 -5.5387 -4.4584 -4.4584 -4.3808 -4.3808 -3.7832 -3.7832 -1.8788 -1.8788 0.6449 0.6449 1.6190 1.6190 1.8672 1.8672 3.2704 3.2704 4.8272 4.8272 6.1408 6.1408 7.2618 7.2618 7.4166 7.4166 8.0888 8.0888 12.0901 12.0901 12.1255 12.1255 14.4388 14.4388 15.4926 15.4926 16.4478 16.4478 k =-0.4811 0.5004 0.2381 ( 1684 PWs) bands (ev): -6.7680 -6.7680 -5.5121 -5.5121 -4.4853 -4.4853 -4.4289 -4.4289 -3.7991 -3.7991 -1.9690 -1.9690 0.6153 0.6153 1.7817 1.7817 1.7954 1.7954 3.3676 3.3676 4.9221 4.9221 6.1696 6.1696 7.2115 7.2115 7.2952 7.2952 8.1885 8.1885 12.0692 12.0692 12.1103 12.1103 14.4156 14.4156 15.4987 15.4987 16.3215 16.3215 k =-0.4811 0.5004 0.2494 ( 1682 PWs) bands (ev): -6.7218 -6.7218 -5.4851 -5.4851 -4.5882 -4.5882 -4.3997 -4.3997 -3.8141 -3.8141 -2.0573 -2.0573 0.5902 0.5902 1.7239 1.7239 1.9447 1.9447 3.4614 3.4614 5.0139 5.0139 6.1993 6.1993 7.1017 7.1017 7.2298 7.2298 8.2865 8.2865 12.0471 12.0471 12.0958 12.0958 14.3929 14.3929 15.5047 15.5047 16.2004 16.2004 k =-0.4811 0.5004 0.2608 ( 1688 PWs) bands (ev): -6.6736 -6.6736 -5.4579 -5.4579 -4.6895 -4.6895 -4.3716 -4.3716 -3.8277 -3.8277 -2.1434 -2.1434 0.5697 0.5697 1.6535 1.6535 2.1075 2.1075 3.5512 3.5512 5.1021 5.1021 6.2300 6.2300 6.9616 6.9616 7.1916 7.1916 8.3824 8.3824 12.0238 12.0238 12.0821 12.0821 14.3709 14.3709 15.5104 15.5104 16.0849 16.0849 k =-0.4811 0.5004 0.2721 ( 1690 PWs) bands (ev): -6.6233 -6.6233 -5.4307 -5.4307 -4.7891 -4.7891 -4.3453 -4.3453 -3.8391 -3.8391 -2.2271 -2.2271 0.5537 0.5537 1.5844 1.5844 2.2698 2.2698 3.6368 3.6368 5.1862 5.1862 6.2617 6.2617 6.8154 6.8154 7.1572 7.1572 8.4755 8.4755 11.9996 11.9996 12.0693 12.0693 14.3497 14.3497 15.5159 15.5159 15.9757 15.9757 k =-0.4811 0.5004 0.2834 ( 1690 PWs) bands (ev): -6.5709 -6.5709 -5.4036 -5.4036 -4.8870 -4.8870 -4.3216 -4.3216 -3.8474 -3.8474 -2.3081 -2.3081 0.5419 0.5419 1.5171 1.5171 2.4312 2.4312 3.7177 3.7177 5.2656 5.2656 6.2941 6.2941 6.6672 6.6672 7.1231 7.1231 8.5652 8.5652 11.9746 11.9746 12.0575 12.0575 14.3297 14.3297 15.5212 15.5212 15.8732 15.8732 k =-0.4811 0.5004 0.2948 ( 1692 PWs) bands (ev): -6.5165 -6.5165 -5.3770 -5.3770 -4.9830 -4.9830 -4.3014 -4.3014 -3.8516 -3.8516 -2.3861 -2.3861 0.5343 0.5343 1.4520 1.4520 2.5910 2.5910 3.7933 3.7933 5.3400 5.3400 6.3273 6.3273 6.5183 6.5183 7.0888 7.0888 8.6510 8.6510 11.9492 11.9492 12.0466 12.0466 14.3108 14.3108 15.5261 15.5261 15.7780 15.7780 k =-0.4811 0.5004 0.3061 ( 1688 PWs) bands (ev): -6.4601 -6.4601 -5.3512 -5.3512 -5.0772 -5.0772 -4.2855 -4.2855 -3.8511 -3.8511 -2.4606 -2.4606 0.5307 0.5307 1.3895 1.3895 2.7486 2.7486 3.8634 3.8634 5.4088 5.4088 6.3607 6.3607 6.3708 6.3708 7.0542 7.0542 8.7320 8.7320 11.9238 11.9238 12.0368 12.0368 14.2933 14.2933 15.5307 15.5307 15.6903 15.6903 k =-0.4811 0.5004 0.3175 ( 1688 PWs) bands (ev): -6.4017 -6.4017 -5.3265 -5.3265 -5.1694 -5.1694 -4.2743 -4.2743 -3.8454 -3.8454 -2.5313 -2.5313 0.5306 0.5306 1.3300 1.3300 2.9028 2.9028 3.9273 3.9273 5.4716 5.4716 6.2240 6.2240 6.3958 6.3958 7.0190 7.0190 8.8076 8.8076 11.8987 11.8987 12.0279 12.0279 14.2772 14.2772 15.5348 15.5348 15.6107 15.6107 k =-0.4811 0.5004 0.3288 ( 1689 PWs) bands (ev): -6.3415 -6.3415 -5.3032 -5.3032 -5.2596 -5.2596 -4.2678 -4.2678 -3.8348 -3.8348 -2.5975 -2.5975 0.5337 0.5337 1.2742 1.2742 3.0524 3.0524 3.9848 3.9848 5.5280 5.5280 6.0809 6.0809 6.4306 6.4306 6.9836 6.9836 8.8770 8.8770 11.8744 11.8744 12.0201 12.0201 14.2627 14.2627 15.5378 15.5378 15.5403 15.5403 k =-0.4811 0.5004 0.3401 ( 1688 PWs) bands (ev): -6.2794 -6.2794 -5.3477 -5.3477 -5.2819 -5.2819 -4.2654 -4.2654 -3.8202 -3.8202 -2.6585 -2.6585 0.5395 0.5395 1.2225 1.2225 3.1957 3.1957 4.0354 4.0354 5.5777 5.5777 5.9434 5.9434 6.4657 6.4657 6.9480 6.9480 8.9394 8.9394 11.8516 11.8516 12.0133 12.0133 14.2499 14.2499 15.4771 15.4771 15.5419 15.5419 k =-0.4811 0.5004 0.3515 ( 1688 PWs) bands (ev): -6.2156 -6.2156 -5.4334 -5.4334 -5.2628 -5.2628 -4.2660 -4.2660 -3.8030 -3.8030 -2.7133 -2.7133 0.5472 0.5472 1.1759 1.1759 3.3300 3.3300 4.0789 4.0789 5.6203 5.6203 5.8136 5.8136 6.5006 6.5006 6.9126 6.9126 8.9940 8.9940 11.8308 11.8308 12.0076 12.0076 14.2389 14.2389 15.4237 15.4237 15.5448 15.5448 k =-0.4811 0.5004 0.3628 ( 1686 PWs) bands (ev): -6.1506 -6.1506 -5.5165 -5.5165 -5.2464 -5.2464 -4.2686 -4.2686 -3.7850 -3.7850 -2.7609 -2.7609 0.5561 0.5561 1.1351 1.1351 3.4521 3.4521 4.1149 4.1149 5.6556 5.6556 5.6953 5.6953 6.5351 6.5351 6.8778 6.8778 9.0400 9.0400 11.8127 11.8127 12.0030 12.0030 14.2299 14.2299 15.3797 15.3797 15.5471 15.5471 k =-0.4811 0.5004 0.3741 ( 1688 PWs) bands (ev): -6.0848 -6.0848 -5.5962 -5.5962 -5.2331 -5.2331 -4.2719 -4.2719 -3.7682 -3.7682 -2.8001 -2.8001 0.5650 0.5650 1.1014 1.1014 3.5572 3.5572 4.1432 4.1432 5.5928 5.5928 5.6833 5.6833 6.5681 6.5681 6.8444 6.8444 9.0767 9.0767 11.7979 11.7979 11.9993 11.9993 14.2227 14.2227 15.3452 15.3452 15.5490 15.5490 k =-0.4811 0.5004 0.3855 ( 1688 PWs) bands (ev): -6.0201 -6.0201 -5.6710 -5.6710 -5.2233 -5.2233 -4.2750 -4.2750 -3.7544 -3.7544 -2.8294 -2.8294 0.5727 0.5727 1.0759 1.0759 3.6396 3.6396 4.1635 4.1635 5.5124 5.5124 5.7032 5.7032 6.5981 6.5981 6.8142 6.8142 9.1034 9.1034 11.7869 11.7869 11.9967 11.9967 14.2175 14.2175 15.3204 15.3204 15.5503 15.5503 k =-0.4811 0.5004 0.3968 ( 1688 PWs) bands (ev): -5.9624 -5.9624 -5.7347 -5.7347 -5.2173 -5.2173 -4.2771 -4.2771 -3.7453 -3.7453 -2.8476 -2.8476 0.5780 0.5780 1.0599 1.0599 3.6927 3.6927 4.1758 4.1758 5.4605 5.4605 5.7152 5.7152 6.6212 6.6212 6.7910 6.7910 9.1196 9.1196 11.7801 11.7801 11.9951 11.9951 14.2144 14.2144 15.3055 15.3055 15.5511 15.5511 k =-0.4811 0.5004 0.4082 ( 1684 PWs) bands (ev): -5.9339 -5.9339 -5.7652 -5.7652 -5.2153 -5.2153 -4.2779 -4.2779 -3.7422 -3.7422 -2.8537 -2.8537 0.5799 0.5799 1.0545 1.0545 3.7112 3.7112 4.1799 4.1799 5.4424 5.4424 5.7192 5.7192 6.6306 6.6306 6.7817 6.7817 9.1250 9.1250 11.7778 11.7778 11.9947 11.9947 14.2134 14.2134 15.3005 15.3005 15.5514 15.5514 k =-0.4811 0.5004 0.4082 ( 1684 PWs) bands (ev): -5.9339 -5.9339 -5.7652 -5.7652 -5.2153 -5.2153 -4.2779 -4.2779 -3.7422 -3.7422 -2.8537 -2.8537 0.5799 0.5799 1.0545 1.0545 3.7112 3.7112 4.1799 4.1799 5.4424 5.4424 5.7192 5.7192 6.6306 6.6306 6.7817 6.7817 9.1250 9.1250 11.7778 11.7778 11.9947 11.9947 14.2134 14.2134 15.3005 15.3005 15.5514 15.5514 k =-0.4874 0.4938 0.4082 ( 1692 PWs) bands (ev): -5.9373 -5.9373 -5.7686 -5.7686 -5.1947 -5.1947 -4.1905 -4.1905 -3.8305 -3.8305 -2.8782 -2.8782 0.5721 0.5721 1.0496 1.0496 3.7109 3.7109 4.1825 4.1825 5.4426 5.4426 5.7213 5.7213 6.6429 6.6429 6.7938 6.7938 9.1292 9.1292 11.7788 11.7788 12.0040 12.0040 14.2436 14.2436 15.2926 15.2926 15.5221 15.5221 k =-0.4937 0.4873 0.4082 ( 1696 PWs) bands (ev): -5.9394 -5.9394 -5.7706 -5.7706 -5.1821 -5.1821 -4.1044 -4.1044 -3.9172 -3.9172 -2.8931 -2.8931 0.5674 0.5674 1.0466 1.0466 3.7108 3.7108 4.1840 4.1840 5.4427 5.4427 5.7226 5.7226 6.6504 6.6504 6.8012 6.8012 9.1317 9.1317 11.7794 11.7794 12.0097 12.0097 14.2625 14.2625 15.2879 15.2879 15.5038 15.5038 k =-0.5000 0.4807 0.4082 ( 1692 PWs) bands (ev): -5.9401 -5.9401 -5.7713 -5.7713 -5.1779 -5.1779 -4.0403 -4.0403 -3.9815 -3.9815 -2.8981 -2.8981 0.5659 0.5659 1.0456 1.0456 3.7108 3.7108 4.1845 4.1845 5.4428 5.4428 5.7230 5.7230 6.6529 6.6529 6.8037 6.8037 9.1325 9.1325 11.7796 11.7796 12.0116 12.0116 14.2689 14.2689 15.2863 15.2863 15.4976 15.4976 k =-0.5000 0.4807 0.4082 ( 1692 PWs) bands (ev): -5.9401 -5.9401 -5.7713 -5.7713 -5.1779 -5.1779 -4.0403 -4.0403 -3.9815 -3.9815 -2.8981 -2.8981 0.5659 0.5659 1.0456 1.0456 3.7108 3.7108 4.1845 4.1845 5.4428 5.4428 5.7230 5.7230 6.6529 6.6529 6.8037 6.8037 9.1325 9.1325 11.7796 11.7796 12.0116 12.0116 14.2689 14.2689 15.2863 15.2863 15.4976 15.4976 k =-0.5000 0.4807 0.3968 ( 1696 PWs) bands (ev): -5.9686 -5.9686 -5.7408 -5.7408 -5.1795 -5.1795 -4.0387 -4.0387 -3.9859 -3.9859 -2.8919 -2.8919 0.5639 0.5639 1.0511 1.0511 3.6923 3.6923 4.1805 4.1805 5.4609 5.4609 5.7188 5.7188 6.6437 6.6437 6.8128 6.8128 9.1270 9.1270 11.7819 11.7819 12.0121 12.0121 14.2699 14.2699 15.2914 15.2914 15.4974 15.4974 k =-0.5000 0.4807 0.3855 ( 1692 PWs) bands (ev): -6.0264 -6.0264 -5.6771 -5.6771 -5.1845 -5.1845 -4.0339 -4.0339 -3.9986 -3.9986 -2.8736 -2.8736 0.5585 0.5585 1.0671 1.0671 3.6391 3.6391 4.1685 4.1685 5.5131 5.5131 5.7064 5.7064 6.6210 6.6210 6.8359 6.8359 9.1106 9.1106 11.7889 11.7889 12.0138 12.0138 14.2729 14.2729 15.3069 15.3069 15.4967 15.4967 k =-0.5000 0.4807 0.3741 ( 1692 PWs) bands (ev): -6.0910 -6.0910 -5.6024 -5.6024 -5.1927 -5.1927 -4.0260 -4.0260 -4.0189 -4.0189 -2.8440 -2.8440 0.5505 0.5505 1.0927 1.0927 3.5565 3.5565 4.1487 4.1487 5.5938 5.5938 5.6858 5.6858 6.5913 6.5913 6.8657 6.8657 9.0836 9.0836 11.8002 11.8002 12.0165 12.0165 14.2779 14.2779 15.3326 15.3326 15.4956 15.4956 k =-0.5000 0.4807 0.3628 ( 1688 PWs) bands (ev): -6.1568 -6.1568 -5.5226 -5.5226 -5.2038 -5.2038 -4.0455 -4.0455 -4.0154 -4.0154 -2.8043 -2.8043 0.5412 0.5412 1.1266 1.1266 3.4512 3.4512 4.1210 4.1210 5.6570 5.6570 5.6967 5.6967 6.5586 6.5586 6.8987 6.8987 9.0466 9.0466 11.8154 11.8154 12.0203 12.0203 14.2847 14.2847 15.3683 15.3683 15.4940 15.4940 k =-0.5000 0.4807 0.3515 ( 1688 PWs) bands (ev): -6.2219 -6.2219 -5.4395 -5.4395 -5.2176 -5.2176 -4.0773 -4.0773 -4.0022 -4.0022 -2.7557 -2.7557 0.5319 0.5319 1.1676 1.1676 3.3289 3.3289 4.0858 4.0858 5.6205 5.6205 5.8155 5.8155 6.5245 6.5245 6.9330 6.9330 9.0002 9.0002 11.8339 11.8339 12.0251 12.0251 14.2934 14.2934 15.4139 15.4139 15.4921 15.4921 k =-0.5000 0.4807 0.3401 ( 1688 PWs) bands (ev): -6.2856 -6.2856 -5.3538 -5.3538 -5.2338 -5.2338 -4.1130 -4.1130 -3.9868 -3.9868 -2.6996 -2.6996 0.5236 0.5236 1.2145 1.2145 3.1943 3.1943 4.0433 4.0433 5.5764 5.5764 5.9458 5.9458 6.4898 6.4898 6.9679 6.9679 8.9451 8.9451 11.8551 11.8551 12.0310 12.0310 14.3039 14.3039 15.4689 15.4689 15.4897 15.4897 k =-0.5000 0.4807 0.3288 ( 1688 PWs) bands (ev): -6.3477 -6.3477 -5.2657 -5.2657 -5.2521 -5.2521 -4.1514 -4.1514 -3.9696 -3.9696 -2.6371 -2.6371 0.5173 0.5173 1.2664 1.2664 3.0508 3.0508 3.9936 3.9936 5.5251 5.5251 6.0840 6.0840 6.4550 6.4550 7.0029 7.0029 8.8822 8.8822 11.8784 11.8784 12.0380 12.0380 14.3162 14.3162 15.4869 15.4869 15.5334 15.5334 k =-0.5000 0.4807 0.3175 ( 1694 PWs) bands (ev): -6.4080 -6.4080 -5.2722 -5.2722 -5.1755 -5.1755 -4.1918 -4.1918 -3.9509 -3.9509 -2.5689 -2.5689 0.5135 0.5135 1.3225 1.3225 2.9008 2.9008 3.9373 3.9373 5.4667 5.4667 6.2275 6.2275 6.4203 6.4203 7.0378 7.0378 8.8123 8.8123 11.9031 11.9031 12.0461 12.0461 14.3300 14.3300 15.4838 15.4838 15.6066 15.6066 k =-0.5000 0.4807 0.3061 ( 1698 PWs) bands (ev): -6.4664 -6.4664 -5.2937 -5.2937 -5.0833 -5.0833 -4.2333 -4.2333 -3.9310 -3.9310 -2.4961 -2.4961 0.5128 0.5128 1.3822 1.3822 2.7464 2.7464 3.8745 3.8745 5.4019 5.4019 6.3745 6.3745 6.3861 6.3861 7.0722 7.0722 8.7361 8.7361 11.9286 11.9286 12.0552 12.0552 14.3452 14.3452 15.4803 15.4803 15.6884 15.6884 k =-0.5000 0.4807 0.2948 ( 1690 PWs) bands (ev): -6.5228 -6.5228 -5.3163 -5.3163 -4.9891 -4.9891 -4.2754 -4.2754 -3.9103 -3.9103 -2.4191 -2.4191 0.5158 0.5158 1.4450 1.4450 2.5887 2.5887 3.8057 3.8057 5.3310 5.3310 6.3524 6.3524 6.5240 6.5240 7.1062 7.1062 8.6546 8.6546 11.9547 11.9547 12.0654 12.0654 14.3619 14.3619 15.4766 15.4766 15.7782 15.7782 k =-0.5000 0.4807 0.2834 ( 1690 PWs) bands (ev): -6.5772 -6.5772 -5.3397 -5.3397 -4.8930 -4.8930 -4.3175 -4.3175 -3.8892 -3.8892 -2.3386 -2.3386 0.5225 0.5225 1.5105 1.5105 2.4286 2.4286 3.7312 3.7312 5.2545 5.2545 6.3194 6.3194 6.6739 6.6739 7.1394 7.1394 8.5683 8.5683 11.9805 11.9805 12.0766 12.0766 14.3799 14.3799 15.4726 15.4726 15.8756 15.8756 k =-0.5000 0.4807 0.2721 ( 1690 PWs) bands (ev): -6.6295 -6.6295 -5.3637 -5.3637 -4.7951 -4.7951 -4.3592 -4.3592 -3.8678 -3.8678 -2.2549 -2.2549 0.5334 0.5334 1.5781 1.5781 2.2671 2.2671 3.6515 3.6515 5.1729 5.1729 6.2871 6.2871 6.8238 6.8238 7.1718 7.1718 8.4781 8.4781 12.0058 12.0058 12.0888 12.0888 14.3989 14.3989 15.4683 15.4683 15.9802 15.9802 k =-0.5000 0.4807 0.2608 ( 1682 PWs) bands (ev): -6.6798 -6.6798 -5.3880 -5.3880 -4.6955 -4.6955 -4.4004 -4.4004 -3.8465 -3.8465 -2.1683 -2.1683 0.5487 0.5487 1.6476 1.6476 2.1045 2.1045 3.5671 3.5671 5.0866 5.0866 6.2557 6.2557 6.9730 6.9730 7.2034 7.2034 8.3845 8.3845 12.0305 12.0305 12.1021 12.1021 14.4190 14.4190 15.4640 15.4640 16.0914 16.0914 k =-0.5000 0.4807 0.2494 ( 1678 PWs) bands (ev): -6.7281 -6.7281 -5.4124 -5.4124 -4.5942 -4.5942 -4.4406 -4.4406 -3.8255 -3.8255 -2.0793 -2.0793 0.5683 0.5683 1.7185 1.7185 1.9416 1.9416 3.4782 3.4782 4.9963 4.9963 6.2251 6.2251 7.1209 7.1209 7.2340 7.2340 8.2882 8.2882 12.0541 12.0541 12.1161 12.1161 14.4399 14.4399 15.4594 15.4594 16.2088 16.2088 k =-0.5000 0.4807 0.2381 ( 1680 PWs) bands (ev): -6.7742 -6.7742 -5.4367 -5.4367 -4.4912 -4.4912 -4.4798 -4.4798 -3.8050 -3.8050 -1.9882 -1.9882 0.5924 0.5924 1.7784 1.7784 1.7905 1.7905 3.3853 3.3853 4.9024 4.9024 6.1956 6.1956 7.2618 7.2618 7.2685 7.2685 8.1898 8.1898 12.0765 12.0765 12.1311 12.1311 14.4614 14.4614 15.4546 15.4546 16.3316 16.3316 k =-0.5000 0.4807 0.2268 ( 1684 PWs) bands (ev): -6.8183 -6.8183 -5.4607 -5.4607 -4.5178 -4.5178 -4.3867 -4.3867 -3.7852 -3.7852 -1.8951 -1.8951 0.6211 0.6211 1.6156 1.6156 1.8630 1.8630 3.2888 3.2888 4.8055 4.8055 6.1669 6.1669 7.2918 7.2918 7.4104 7.4104 8.0897 8.0897 12.0976 12.0976 12.1467 12.1467 14.4833 14.4833 15.4498 15.4498 16.4595 16.4595 k =-0.5000 0.4807 0.2154 ( 1684 PWs) bands (ev): -6.8602 -6.8602 -5.4844 -5.4844 -4.5544 -4.5544 -4.2807 -4.2807 -3.7661 -3.7661 -1.8003 -1.8003 0.6544 0.6544 1.4533 1.4533 1.9357 1.9357 3.1890 3.1890 4.7063 4.7063 6.1394 6.1394 7.3192 7.3192 7.5510 7.5510 7.9885 7.9885 12.1175 12.1175 12.1631 12.1631 14.5055 14.5055 15.4449 15.4449 16.5919 16.5919 k =-0.5000 0.4807 0.2041 ( 1688 PWs) bands (ev): -6.9000 -6.9000 -5.5074 -5.5074 -4.5895 -4.5895 -4.1733 -4.1733 -3.7479 -3.7479 -1.7040 -1.7040 0.6922 0.6922 1.2918 1.2918 2.0080 2.0080 3.0867 3.0867 4.6053 4.6053 6.1131 6.1131 7.3452 7.3452 7.6881 7.6881 7.8868 7.8868 12.1359 12.1359 12.1800 12.1800 14.5278 14.5278 15.4399 15.4399 16.7281 16.7281 k =-0.5000 0.4807 0.1927 ( 1690 PWs) bands (ev): -6.9377 -6.9377 -5.5298 -5.5298 -4.6230 -4.6230 -4.0646 -4.0646 -3.7307 -3.7307 -1.6065 -1.6065 0.7345 0.7345 1.1313 1.1313 2.0795 2.0795 2.9822 2.9822 4.5034 4.5034 6.0879 6.0879 7.3700 7.3700 7.7848 7.7848 7.8215 7.8215 12.1530 12.1530 12.1974 12.1974 14.5501 14.5501 15.4350 15.4350 16.8676 16.8677 k =-0.5000 0.4807 0.1814 ( 1694 PWs) bands (ev): -6.9733 -6.9733 -5.5513 -5.5513 -4.6549 -4.6549 -3.9548 -3.9548 -3.7146 -3.7146 -1.5080 -1.5080 0.7813 0.7813 0.9722 0.9722 2.1492 2.1492 2.8759 2.8759 4.4011 4.4011 6.0640 6.0640 7.3935 7.3935 7.6834 7.6834 7.9505 7.9505 12.1687 12.1687 12.2151 12.2151 14.5723 14.5723 15.4301 15.4301 16.8953 16.8953 k =-0.5000 0.4807 0.1701 ( 1698 PWs) bands (ev): -7.0067 -7.0067 -5.5720 -5.5720 -4.6851 -4.6851 -3.8440 -3.8440 -3.6996 -3.6996 -1.4088 -1.4088 0.8146 0.8146 0.8324 0.8324 2.2165 2.2165 2.7683 2.7683 4.2995 4.2995 6.0413 6.0413 7.4157 7.4157 7.5830 7.5830 8.0747 8.0747 12.1831 12.1831 12.2330 12.2330 14.5941 14.5941 15.4254 15.4254 16.9213 16.9213 k =-0.5000 0.4807 0.1587 ( 1700 PWs) bands (ev): -7.0380 -7.0380 -5.5917 -5.5917 -4.7135 -4.7135 -3.7324 -3.7324 -3.6857 -3.6857 -1.3092 -1.3092 0.6589 0.6589 0.8877 0.8877 2.2804 2.2804 2.6598 2.6598 4.1994 4.1994 6.0199 6.0199 7.4365 7.4365 7.4840 7.4840 8.1938 8.1938 12.1962 12.1962 12.2509 12.2509 14.6153 14.6153 15.4208 15.4208 16.9447 16.9447 k =-0.5000 0.4807 0.1474 ( 1700 PWs) bands (ev): -7.0672 -7.0672 -5.6103 -5.6103 -4.7401 -4.7401 -3.6729 -3.6729 -3.6201 -3.6201 -1.2096 -1.2096 0.5055 0.5055 0.9469 0.9469 2.3398 2.3398 2.5511 2.5511 4.1022 4.1022 6.0000 6.0000 7.3872 7.3872 7.4559 7.4559 8.3073 8.3073 12.2080 12.2080 12.2686 12.2686 14.6359 14.6359 15.4162 15.4162 16.9658 16.9658 k =-0.5000 0.4807 0.1361 ( 1696 PWs) bands (ev): -7.0942 -7.0942 -5.6277 -5.6277 -4.7649 -4.7649 -3.6612 -3.6612 -3.5076 -3.5076 -1.1103 -1.1103 0.3546 0.3546 1.0100 1.0100 2.3931 2.3931 2.4428 2.4428 4.0090 4.0090 5.9815 5.9815 7.2929 7.2929 7.4739 7.4739 8.4146 8.4146 12.2187 12.2187 12.2861 12.2861 14.6556 14.6556 15.4120 15.4120 16.9847 16.9847 k =-0.5000 0.4807 0.1247 ( 1692 PWs) bands (ev): -7.1190 -7.1190 -5.6440 -5.6440 -4.7877 -4.7877 -3.6506 -3.6506 -3.3953 -3.3953 -1.0117 -1.0117 0.2067 0.2067 1.0765 1.0765 2.3354 2.3354 2.4388 2.4388 3.9215 3.9215 5.9642 5.9642 7.2020 7.2020 7.4905 7.4905 8.5155 8.5155 12.2283 12.2283 12.3031 12.3031 14.6743 14.6743 15.4080 15.4080 17.0016 17.0016 k =-0.5000 0.4807 0.1134 ( 1678 PWs) bands (ev): -7.1417 -7.1417 -5.6590 -5.6590 -4.8087 -4.8087 -3.6411 -3.6411 -3.2834 -3.2834 -0.9146 -0.9146 0.0623 0.0623 1.1463 1.1463 2.2297 2.2297 2.4749 2.4749 3.8416 3.8416 5.9483 5.9483 7.1150 7.1150 7.5058 7.5058 8.6098 8.6098 12.2370 12.2370 12.3195 12.3195 14.6920 14.6920 15.4043 15.4043 17.0169 17.0169 k =-0.5000 0.4807 0.1020 ( 1682 PWs) bands (ev): -7.1623 -7.1623 -5.6727 -5.6727 -4.8277 -4.8277 -3.6326 -3.6326 -3.1728 -3.1728 -0.8197 -0.8197 -0.0779 -0.0779 1.2188 1.2188 2.1266 2.1266 2.4994 2.4994 3.7709 3.7709 5.9339 5.9339 7.0326 7.0326 7.5195 7.5195 8.6963 8.6963 12.2445 12.2445 12.3350 12.3350 14.7083 14.7083 15.4007 15.4007 17.0302 17.0302 k =-0.5000 0.4807 0.0907 ( 1682 PWs) bands (ev): -7.1807 -7.1807 -5.6851 -5.6851 -4.8448 -4.8448 -3.6252 -3.6252 -3.0643 -3.0643 -0.7277 -0.7277 -0.2131 -0.2131 1.2937 1.2937 2.0269 2.0269 2.5105 2.5105 3.7112 3.7112 5.9209 5.9209 6.9557 6.9557 7.5318 7.5318 8.7750 8.7750 12.2510 12.2510 12.3494 12.3494 14.7232 14.7232 15.3975 15.3975 17.0419 17.0419 k =-0.5000 0.4807 0.0794 ( 1682 PWs) bands (ev): -7.1969 -7.1969 -5.6961 -5.6961 -4.8599 -4.8599 -3.6187 -3.6187 -2.9588 -2.9588 -0.6398 -0.6398 -0.3421 -0.3421 1.3702 1.3702 1.9320 1.9320 2.5071 2.5071 3.6638 3.6638 5.9094 5.9094 6.8852 6.8852 7.5426 7.5426 8.8454 8.8454 12.2566 12.2566 12.3626 12.3626 14.7366 14.7367 15.3946 15.3946 17.0521 17.0521 k =-0.5000 0.4807 0.0680 ( 1690 PWs) bands (ev): -7.2110 -7.2110 -5.7056 -5.7056 -4.8730 -4.8730 -3.6132 -3.6132 -2.8580 -2.8580 -0.5573 -0.5573 -0.4636 -0.4636 1.4476 1.4476 1.8432 1.8432 2.4891 2.4891 3.6287 3.6287 5.8994 5.8994 6.8217 6.8217 7.5520 7.5520 8.9073 8.9073 12.2614 12.2614 12.3744 12.3744 14.7485 14.7485 15.3921 15.3921 17.0608 17.0608 k =-0.5000 0.4807 0.0567 ( 1690 PWs) bands (ev): -7.2229 -7.2229 -5.7138 -5.7138 -4.8841 -4.8841 -3.6086 -3.6086 -2.7637 -2.7637 -0.5752 -0.5752 -0.4819 -0.4819 1.5247 1.5247 1.7624 1.7624 2.4580 2.4580 3.6049 3.6049 5.8909 5.8909 6.7661 6.7661 7.5600 7.5600 8.9603 8.9603 12.2654 12.2654 12.3847 12.3847 14.7586 14.7586 15.3899 15.3899 17.0681 17.0681 k =-0.5000 0.4807 0.0454 ( 1690 PWs) bands (ev): -7.2327 -7.2327 -5.7205 -5.7205 -4.8932 -4.8932 -3.6049 -3.6049 -2.6787 -2.6787 -0.6745 -0.6745 -0.4156 -0.4156 1.5997 1.5997 1.6915 1.6915 2.4169 2.4169 3.5903 3.5903 5.8839 5.8839 6.7193 6.7193 7.5665 7.5665 9.0041 9.0041 12.2686 12.2686 12.3933 12.3933 14.7671 14.7671 15.3881 15.3881 17.0741 17.0741 k =-0.5000 0.4807 0.0340 ( 1692 PWs) bands (ev): -7.2402 -7.2402 -5.7258 -5.7258 -4.9003 -4.9003 -3.6020 -3.6020 -2.6061 -2.6061 -0.7582 -0.7582 -0.3605 -0.3605 1.6328 1.6328 1.6697 1.6697 2.3707 2.3707 3.5825 3.5825 5.8785 5.8785 6.6820 6.6820 7.5715 7.5715 9.0384 9.0384 12.2710 12.2710 12.4002 12.4002 14.7737 14.7737 15.3867 15.3867 17.0786 17.0786 k =-0.5000 0.4807 0.0227 ( 1692 PWs) bands (ev): -7.2457 -7.2457 -5.7295 -5.7295 -4.9054 -4.9054 -3.6000 -3.6000 -2.5499 -2.5499 -0.8223 -0.8223 -0.3189 -0.3189 1.5886 1.5886 1.7298 1.7298 2.3259 2.3259 3.5789 3.5789 5.8746 5.8746 6.6549 6.6549 7.5751 7.5751 9.0631 9.0631 12.2727 12.2727 12.4051 12.4051 14.7785 14.7785 15.3856 15.3856 17.0819 17.0819 k =-0.5000 0.4807 0.0113 ( 1698 PWs) bands (ev): -7.2489 -7.2489 -5.7318 -5.7318 -4.9084 -4.9084 -3.5988 -3.5988 -2.5140 -2.5140 -0.8629 -0.8629 -0.2930 -0.2930 1.5610 1.5610 1.7726 1.7726 2.2917 2.2917 3.5776 3.5776 5.8723 5.8723 6.6384 6.6384 7.5773 7.5773 9.0780 9.0780 12.2738 12.2738 12.4081 12.4081 14.7814 14.7814 15.3850 15.3850 17.0838 17.0838 k =-0.5000 0.4807 0.0000 ( 1692 PWs) bands (ev): -7.2500 -7.2500 -5.7325 -5.7325 -4.9095 -4.9095 -3.5984 -3.5984 -2.5016 -2.5016 -0.8769 -0.8769 -0.2840 -0.2840 1.5517 1.5517 1.7885 1.7885 2.2787 2.2787 3.5773 3.5773 5.8715 5.8715 6.6329 6.6329 7.5780 7.5780 9.0830 9.0830 12.2742 12.2742 12.4091 12.4091 14.7823 14.7823 15.3848 15.3848 17.0845 17.0845 k = 0.0000 0.0000 0.4082 ( 1680 PWs) bands (ev): -8.5335 -8.5335 -8.0526 -8.0526 -2.2573 -2.2573 -2.1586 -2.1586 -1.0010 -1.0010 -0.8778 -0.8778 0.7280 0.7280 3.1326 3.1326 3.4327 3.4327 4.0200 4.0200 4.1949 4.1949 4.8270 4.8270 5.2033 5.2033 5.9954 5.9954 8.2388 8.2388 9.9622 9.9622 10.1249 10.1249 10.8208 10.8208 14.9058 14.9058 15.2348 15.2348 k =-0.0082 0.0079 0.4082 ( 1680 PWs) bands (ev): -8.5325 -8.5325 -8.0517 -8.0517 -2.2607 -2.2607 -2.1605 -2.1605 -1.0031 -1.0031 -0.8799 -0.8799 0.7318 0.7318 3.1342 3.1342 3.4352 3.4352 4.0210 4.0210 4.1975 4.1975 4.8248 4.8248 5.2029 5.2029 5.9930 5.9930 8.2404 8.2404 9.9640 9.9640 10.1205 10.1205 10.8188 10.8188 14.9084 14.9084 15.2403 15.2403 k =-0.0164 0.0158 0.4082 ( 1684 PWs) bands (ev): -8.5294 -8.5294 -8.0489 -8.0489 -2.2709 -2.2709 -2.1660 -2.1660 -1.0093 -1.0093 -0.8863 -0.8863 0.7431 0.7431 3.1391 3.1391 3.4428 3.4428 4.0241 4.0241 4.2056 4.2056 4.8182 4.8182 5.2016 5.2016 5.9856 5.9856 8.2453 8.2453 9.9694 9.9694 10.1071 10.1071 10.8125 10.8125 14.9158 14.9158 15.2566 15.2566 k =-0.0246 0.0236 0.4082 ( 1680 PWs) bands (ev): -8.5243 -8.5243 -8.0442 -8.0442 -2.2876 -2.2876 -2.1752 -2.1752 -1.0196 -1.0196 -0.8969 -0.8969 0.7618 0.7618 3.1474 3.1474 3.4555 3.4555 4.0292 4.0292 4.2190 4.2190 4.8072 4.8072 5.1996 5.1996 5.9734 5.9734 8.2534 8.2534 9.9786 9.9786 10.0851 10.0851 10.8027 10.8027 14.9281 14.9281 15.2834 15.2834 k =-0.0328 0.0315 0.4082 ( 1680 PWs) bands (ev): -8.5173 -8.5173 -8.0378 -8.0378 -2.3106 -2.3106 -2.1880 -2.1880 -1.0339 -1.0339 -0.9116 -0.9116 0.7876 0.7876 3.1588 3.1588 3.4732 3.4732 4.0363 4.0363 4.2375 4.2375 4.7916 4.7916 5.1967 5.1967 5.9562 5.9562 8.2649 8.2649 9.9914 9.9914 10.0548 10.0548 10.7894 10.7894 14.9451 14.9451 15.3198 15.3198 k =-0.0410 0.0394 0.4082 ( 1678 PWs) bands (ev): -8.5082 -8.5082 -8.0295 -8.0295 -2.3394 -2.3394 -2.2042 -2.2042 -1.0521 -1.0521 -0.9302 -0.9302 0.8200 0.8200 3.1734 3.1734 3.4956 3.4956 4.0454 4.0454 4.2611 4.2611 4.7714 4.7714 5.1932 5.1932 5.9344 5.9344 8.2796 8.2796 10.0077 10.0077 10.0167 10.0167 10.7736 10.7736 14.9668 14.9668 15.3649 15.3649 k =-0.0492 0.0473 0.4082 ( 1682 PWs) bands (ev): -8.4970 -8.4970 -8.0193 -8.0193 -2.3738 -2.3738 -2.2238 -2.2238 -1.0741 -1.0741 -0.9527 -0.9527 0.8585 0.8585 3.1909 3.1909 3.5226 3.5226 4.0561 4.0561 4.2896 4.2896 4.7465 4.7465 5.1890 5.1890 5.9078 5.9078 8.2976 8.2976 9.9709 9.9709 10.0280 10.0280 10.7561 10.7561 14.9930 14.9930 15.4176 15.4176 k =-0.0574 0.0552 0.4082 ( 1682 PWs) bands (ev): -8.4839 -8.4839 -8.0073 -8.0073 -2.4131 -2.4131 -2.2466 -2.2466 -1.0998 -1.0998 -0.9788 -0.9788 0.9026 0.9026 3.2113 3.2113 3.5539 3.5539 4.0688 4.0688 4.3226 4.3226 4.7168 4.7168 5.1842 5.1842 5.8768 5.8768 8.3188 8.3188 9.9188 9.9188 10.0518 10.0518 10.7378 10.7378 15.0235 15.0235 15.4765 15.4765 k =-0.0656 0.0630 0.4082 ( 1686 PWs) bands (ev): -8.4688 -8.4688 -7.9935 -7.9935 -2.4569 -2.4569 -2.2724 -2.2724 -1.1290 -1.1290 -1.0082 -1.0082 0.9517 0.9517 3.2345 3.2345 3.5892 3.5892 4.0832 4.0832 4.3601 4.3601 4.6822 4.6822 5.1789 5.1789 5.8414 5.8414 8.3433 8.3433 9.8607 9.8607 10.0793 10.0793 10.7197 10.7197 15.0581 15.0581 15.5402 15.5402 k =-0.0738 0.0709 0.4082 ( 1686 PWs) bands (ev): -8.4516 -8.4516 -7.9779 -7.9779 -2.5047 -2.5047 -2.3010 -2.3010 -1.1614 -1.1614 -1.0409 -1.0409 1.0052 1.0052 3.2604 3.2604 3.6284 3.6284 4.0992 4.0992 4.4017 4.4017 4.6426 4.6426 5.1733 5.1733 5.8021 5.8021 8.3710 8.3710 9.7974 9.7974 10.1105 10.1105 10.7028 10.7028 15.0966 15.0966 15.6071 15.6071 k =-0.0820 0.0788 0.4082 ( 1686 PWs) bands (ev): -8.4325 -8.4325 -7.9605 -7.9605 -2.5560 -2.5560 -2.3323 -2.3323 -1.1971 -1.1971 -1.0765 -1.0765 1.0627 1.0627 3.2886 3.2886 3.6708 3.6708 4.1164 4.1164 4.4471 4.4471 4.5980 4.5980 5.1675 5.1675 5.7588 5.7588 8.4018 8.4018 9.7297 9.7297 10.1454 10.1454 10.6880 10.6880 15.1389 15.1389 15.6757 15.6757 k =-0.0902 0.0867 0.4082 ( 1686 PWs) bands (ev): -8.4114 -8.4114 -7.9413 -7.9413 -2.6102 -2.6102 -2.3660 -2.3660 -1.2356 -1.2356 -1.1148 -1.1148 1.1234 1.1234 3.3192 3.3192 3.7164 3.7164 4.1348 4.1348 4.4960 4.4960 4.5482 4.5482 5.1616 5.1616 5.7122 5.7122 8.4359 8.4359 9.6584 9.6584 10.1839 10.1839 10.6760 10.6760 15.1848 15.1848 15.7441 15.7441 k =-0.0984 0.0946 0.4082 ( 1686 PWs) bands (ev): -8.3883 -8.3883 -7.9203 -7.9203 -2.6671 -2.6671 -2.4019 -2.4019 -1.2770 -1.2770 -1.1556 -1.1556 1.1868 1.1868 3.3519 3.3519 3.7646 3.7646 4.1540 4.1540 4.4933 4.4933 4.5481 4.5481 5.1559 5.1559 5.6626 5.6626 8.4732 8.4732 9.5842 9.5842 10.2262 10.2262 10.6677 10.6677 15.2339 15.2339 15.8107 15.8107 k =-0.1066 0.1025 0.4082 ( 1686 PWs) bands (ev): -8.3633 -8.3633 -7.8976 -7.8976 -2.7261 -2.7261 -2.4399 -2.4399 -1.3209 -1.3209 -1.1985 -1.1985 1.2525 1.2525 3.3865 3.3865 3.8149 3.8149 4.1735 4.1735 4.4334 4.4334 4.6032 4.6032 5.1506 5.1506 5.6105 5.6105 8.5138 8.5138 9.5079 9.5079 10.2722 10.2722 10.6636 10.6636 15.2860 15.2860 15.8737 15.8737 k =-0.1148 0.1103 0.4082 ( 1688 PWs) bands (ev): -8.3363 -8.3363 -7.8731 -7.8731 -2.7869 -2.7869 -2.4797 -2.4797 -1.3673 -1.3673 -1.2434 -1.2434 1.3200 1.3200 3.4227 3.4227 3.8668 3.8668 4.1928 4.1928 4.3686 4.3686 4.6609 4.6609 5.1460 5.1460 5.5565 5.5565 8.5575 8.5575 9.4301 9.4301 10.3218 10.3218 10.6643 10.6643 15.3410 15.3410 15.9312 15.9312 k =-0.1230 0.1182 0.4082 ( 1684 PWs) bands (ev): -8.3074 -8.3074 -7.8469 -7.8469 -2.8491 -2.8491 -2.5211 -2.5211 -1.4158 -1.4158 -1.2900 -1.2900 1.3887 1.3887 3.4604 3.4604 3.9199 3.9199 4.2113 4.2113 4.2992 4.2992 4.7208 4.7208 5.1423 5.1423 5.5016 5.5016 8.6043 8.6043 9.3517 9.3517 10.3752 10.3752 10.6703 10.6703 15.3986 15.3986 15.9816 15.9816 k =-0.1311 0.1261 0.4082 ( 1688 PWs) bands (ev): -8.2766 -8.2766 -7.8190 -7.8190 -2.9126 -2.9126 -2.5639 -2.5639 -1.4664 -1.4664 -1.3382 -1.3382 1.4583 1.4583 3.4991 3.4991 3.9734 3.9734 4.2255 4.2255 4.2280 4.2280 4.7828 4.7828 5.1400 5.1400 5.4467 5.4467 8.6543 8.6543 9.2732 9.2732 10.4322 10.4322 10.6819 10.6819 15.4585 15.4585 16.0231 16.0231 k =-0.1393 0.1340 0.4082 ( 1684 PWs) bands (ev): -8.2438 -8.2438 -7.7894 -7.7894 -2.9769 -2.9769 -2.6079 -2.6079 -1.5188 -1.5188 -1.3875 -1.3875 1.5283 1.5283 3.5382 3.5382 4.0267 4.0267 4.1482 4.1482 4.2418 4.2418 4.8465 4.8465 5.1394 5.1394 5.3932 5.3932 8.7074 8.7074 9.1952 9.1952 10.4930 10.4930 10.6994 10.6994 15.5205 15.5205 16.0543 16.0543 k =-0.1475 0.1419 0.4082 ( 1692 PWs) bands (ev): -8.2092 -8.2092 -7.7582 -7.7582 -3.0419 -3.0419 -2.6529 -2.6529 -1.5730 -1.5730 -1.4379 -1.4379 1.5982 1.5982 3.5766 3.5766 4.0682 4.0682 4.0792 4.0792 4.2513 4.2513 4.9116 4.9116 5.1411 5.1411 5.3424 5.3424 8.7636 8.7636 9.1181 9.1181 10.5573 10.5573 10.7226 10.7226 15.5842 15.5842 16.0739 16.0739 k =-0.1557 0.1497 0.4082 ( 1684 PWs) bands (ev): -8.1726 -8.1726 -7.7253 -7.7253 -3.1072 -3.1072 -2.6987 -2.6987 -1.6286 -1.6286 -1.4891 -1.4891 1.6679 1.6679 3.6121 3.6121 3.9885 3.9885 4.1300 4.1300 4.2549 4.2549 4.9780 4.9780 5.1457 5.1457 5.2965 5.2965 8.8229 8.8229 9.0429 9.0429 10.6252 10.6252 10.7518 10.7518 15.6496 15.6496 16.0811 16.0811 k =-0.1639 0.1576 0.4082 ( 1684 PWs) bands (ev): -8.1343 -8.1343 -7.6908 -7.6908 -3.1727 -3.1727 -2.7452 -2.7452 -1.6857 -1.6857 -1.5409 -1.5409 1.7368 1.7368 3.6382 3.6382 3.9154 3.9154 4.1783 4.1783 4.2507 4.2507 5.0451 5.0451 5.1536 5.1536 5.2572 5.2572 8.8853 8.8853 8.9697 8.9697 10.6966 10.6966 10.7867 10.7867 15.7162 15.7162 16.0758 16.0758 k =-0.1721 0.1655 0.4082 ( 1684 PWs) bands (ev): -8.0941 -8.0941 -7.6548 -7.6548 -3.2384 -3.2384 -2.7921 -2.7921 -1.7440 -1.7440 -1.5932 -1.5932 1.8046 1.8046 3.6386 3.6386 3.8654 3.8654 4.2233 4.2233 4.2372 4.2372 5.1128 5.1128 5.1656 5.1656 5.2264 5.2264 8.8992 8.8992 8.9506 8.9506 10.7716 10.7716 10.8273 10.8273 15.7836 15.7836 16.0584 16.0584 k =-0.1803 0.1734 0.4082 ( 1682 PWs) bands (ev): -8.0521 -8.0521 -7.6172 -7.6172 -3.3039 -3.3039 -2.8394 -2.8394 -1.8034 -1.8034 -1.6458 -1.6458 1.8709 1.8709 3.5941 3.5941 3.8581 3.8581 4.2130 4.2130 4.2644 4.2644 5.1804 5.1804 5.1827 5.1827 5.2055 5.2055 8.8317 8.8317 9.0190 9.0190 10.8500 10.8500 10.8731 10.8731 15.8519 15.8519 16.0298 16.0298 k =-0.1885 0.1813 0.4082 ( 1678 PWs) bands (ev): -8.0084 -8.0084 -7.5782 -7.5782 -3.3692 -3.3692 -2.8868 -2.8868 -1.8639 -1.8639 -1.6984 -1.6984 1.9354 1.9354 3.5153 3.5153 3.8831 3.8831 4.1778 4.1778 4.3006 4.3006 5.1951 5.1951 5.2038 5.2038 5.2494 5.2494 8.7676 8.7676 9.0903 9.0903 10.9241 10.9241 10.9318 10.9318 15.9201 15.9201 15.9915 15.9915 k =-0.1967 0.1891 0.4082 ( 1682 PWs) bands (ev): -7.9629 -7.9629 -7.5376 -7.5376 -3.4341 -3.4341 -2.9343 -2.9343 -1.9253 -1.9253 -1.7510 -1.7510 1.9977 1.9977 3.4207 3.4207 3.9222 3.9222 4.1320 4.1320 4.3315 4.3315 5.1951 5.1951 5.2306 5.2306 5.3177 5.3177 8.7071 8.7071 9.1644 9.1644 10.9796 10.9796 11.0169 11.0169 15.9450 15.9450 15.9882 15.9882 k =-0.2049 0.1970 0.4082 ( 1678 PWs) bands (ev): -7.9157 -7.9157 -7.4956 -7.4956 -3.4986 -3.4986 -2.9817 -2.9817 -1.9875 -1.9875 -1.8034 -1.8034 2.0574 2.0574 3.3185 3.3185 3.9674 3.9674 4.0767 4.0767 4.3571 4.3571 5.2047 5.2047 5.2630 5.2630 5.3859 5.3859 8.6509 8.6509 9.2415 9.2415 11.0393 11.0393 11.1053 11.1053 15.8919 15.8919 16.0555 16.0555 k =-0.2131 0.2049 0.4082 ( 1672 PWs) bands (ev): -7.8668 -7.8668 -7.4523 -7.4523 -3.5625 -3.5625 -3.0288 -3.0288 -2.0504 -2.0504 -1.8555 -1.8555 2.1139 2.1139 3.2121 3.2121 4.0136 4.0136 4.0160 4.0160 4.3773 4.3773 5.2223 5.2223 5.3006 5.3006 5.4536 5.4536 8.5991 8.5991 9.3213 9.3213 11.1027 11.1027 11.1967 11.1967 15.8341 15.8341 16.1217 16.1217 k =-0.2213 0.2128 0.4082 ( 1676 PWs) bands (ev): -7.8162 -7.8162 -7.4076 -7.4076 -3.6259 -3.6259 -3.0756 -3.0756 -2.1140 -2.1140 -1.9072 -1.9072 2.1667 2.1667 3.1028 3.1028 3.9451 3.9451 4.0663 4.0663 4.3922 4.3922 5.2464 5.2464 5.3430 5.3430 5.5207 5.5207 8.5519 8.5519 9.4037 9.4037 11.1690 11.1690 11.2910 11.2910 15.7727 15.7727 16.1859 16.1859 k =-0.2295 0.2207 0.4082 ( 1678 PWs) bands (ev): -7.7641 -7.7641 -7.3616 -7.3616 -3.6885 -3.6885 -3.1220 -3.1220 -2.1782 -2.1782 -1.9583 -1.9583 2.2150 2.2150 2.9916 2.9916 3.8728 3.8728 4.1180 4.1180 4.4023 4.4023 5.2753 5.2753 5.3896 5.3896 5.5870 5.5870 8.5098 8.5098 9.4886 9.4886 11.2379 11.2379 11.3883 11.3883 15.7096 15.7096 16.2476 16.2476 k =-0.2377 0.2285 0.4082 ( 1678 PWs) bands (ev): -7.7103 -7.7103 -7.3144 -7.3144 -3.7504 -3.7504 -3.1678 -3.1678 -2.2429 -2.2429 -2.0088 -2.0088 2.2582 2.2582 2.8793 2.8793 3.7990 3.7990 4.1708 4.1708 4.4082 4.4082 5.3078 5.3078 5.4398 5.4398 5.6525 5.6525 8.4729 8.4729 9.5759 9.5759 11.3085 11.3085 11.4881 11.4881 15.6461 15.6461 16.2361 16.2361 k =-0.2459 0.2364 0.4082 ( 1678 PWs) bands (ev): -7.6551 -7.6551 -7.2660 -7.2660 -3.8115 -3.8115 -3.2129 -3.2129 -2.3081 -2.3081 -2.0584 -2.0584 2.2951 2.2951 2.7662 2.7662 3.7257 3.7257 4.2243 4.2243 4.4105 4.4105 5.3425 5.3425 5.4928 5.4928 5.7170 5.7170 8.4416 8.4416 9.6655 9.6655 11.3802 11.3802 11.5905 11.5905 15.5835 15.5835 16.1811 16.1811 k =-0.2541 0.2443 0.4082 ( 1684 PWs) bands (ev): -7.5984 -7.5984 -7.2164 -7.2164 -3.8718 -3.8718 -3.2574 -3.2574 -2.3738 -2.3738 -2.1073 -2.1073 2.3247 2.3247 2.6530 2.6530 3.6550 3.6550 4.2783 4.2783 4.4098 4.4098 5.3785 5.3785 5.5479 5.5479 5.7803 5.7803 8.4160 8.4160 9.7571 9.7571 11.4521 11.4521 11.6952 11.6952 15.5231 15.5231 16.1275 16.1275 k =-0.2623 0.2522 0.4082 ( 1684 PWs) bands (ev): -7.5402 -7.5402 -7.1658 -7.1658 -3.9312 -3.9312 -3.3010 -3.3010 -2.4397 -2.4397 -2.1551 -2.1551 2.3456 2.3456 2.5400 2.5400 3.5892 3.5892 4.3327 4.3327 4.4065 4.4065 5.4148 5.4148 5.6045 5.6045 5.8423 5.8423 8.3962 8.3962 9.8508 9.8508 11.5234 11.5234 11.8021 11.8021 15.4661 15.4661 16.0754 16.0754 k =-0.2705 0.2601 0.4082 ( 1676 PWs) bands (ev): -7.4807 -7.4807 -7.1141 -7.1141 -3.9897 -3.9897 -3.3436 -3.3436 -2.5060 -2.5060 -2.2019 -2.2019 2.3562 2.3562 2.4276 2.4276 3.5304 3.5304 4.3874 4.3874 4.4012 4.4012 5.4508 5.4508 5.6621 5.6621 5.9031 5.9031 8.3826 8.3826 9.9463 9.9463 11.5934 11.5934 11.9110 11.9110 15.4136 15.4136 16.0247 16.0247 k =-0.2787 0.2679 0.4082 ( 1680 PWs) bands (ev): -7.4199 -7.4199 -7.0616 -7.0616 -4.0474 -4.0474 -3.3854 -3.3854 -2.5727 -2.5727 -2.2477 -2.2477 2.3160 2.3160 2.3552 2.3552 3.4804 3.4804 4.3940 4.3940 4.4423 4.4423 5.4855 5.4855 5.7202 5.7202 5.9624 5.9624 8.3749 8.3749 10.0433 10.0433 11.6607 11.6607 12.0214 12.0214 15.3668 15.3668 15.9755 15.9755 k =-0.2869 0.2758 0.4082 ( 1680 PWs) bands (ev): -7.3579 -7.3579 -7.0081 -7.0081 -4.1041 -4.1041 -3.4261 -3.4261 -2.6396 -2.6396 -2.2922 -2.2922 2.2058 2.2058 2.3418 2.3418 3.4409 3.4409 4.3857 4.3857 4.4972 4.4972 5.5187 5.5187 5.7782 5.7782 6.0201 6.0201 8.3732 8.3732 10.1417 10.1417 11.7246 11.7246 12.1333 12.1333 15.3268 15.3268 15.9279 15.9279 k =-0.2951 0.2837 0.4082 ( 1678 PWs) bands (ev): -7.2947 -7.2947 -6.9539 -6.9539 -4.1598 -4.1598 -3.4656 -3.4656 -2.7067 -2.7067 -2.3355 -2.3355 2.0971 2.0971 2.3155 2.3155 3.4126 3.4126 4.3763 4.3763 4.5519 4.5519 5.5498 5.5498 5.8358 5.8358 6.0760 6.0760 8.3774 8.3774 10.2411 10.2411 11.7841 11.7841 12.2464 12.2464 15.2946 15.2946 15.8818 15.8818 k =-0.3033 0.2916 0.4082 ( 1674 PWs) bands (ev): -7.2305 -7.2305 -6.8990 -6.8990 -4.2147 -4.2147 -3.5040 -3.5040 -2.7740 -2.7740 -2.3775 -2.3775 1.9904 1.9904 2.2770 2.2770 3.3952 3.3952 4.3661 4.3661 4.6065 4.6065 5.5785 5.5785 5.8927 5.8927 6.1304 6.1304 8.3875 8.3875 10.3414 10.3414 11.8383 11.8383 12.3603 12.3603 15.2712 15.2712 15.8373 15.8373 k =-0.3115 0.2995 0.4082 ( 1674 PWs) bands (ev): -7.1653 -7.1653 -6.8434 -6.8434 -4.2686 -4.2686 -3.5412 -3.5412 -2.8415 -2.8415 -2.4182 -2.4182 1.8858 1.8858 2.2277 2.2277 3.3879 3.3879 4.3554 4.3554 4.6606 4.6606 5.6046 5.6046 5.9487 5.9487 6.1830 6.1830 8.4032 8.4032 10.4422 10.4422 11.8863 11.8863 12.4748 12.4748 15.2574 15.2574 15.7944 15.7944 k =-0.3197 0.3074 0.4082 ( 1674 PWs) bands (ev): -7.0993 -7.0993 -6.7873 -6.7873 -4.3216 -4.3216 -3.5772 -3.5772 -2.9091 -2.9091 -2.4574 -2.4574 1.7837 1.7837 2.1695 2.1695 3.3890 3.3890 4.3443 4.3443 4.7143 4.7143 5.6280 5.6280 6.0035 6.0035 6.2337 6.2337 8.4242 8.4242 10.5433 10.5433 11.9276 11.9276 12.5894 12.5894 15.2539 15.2539 15.7531 15.7531 k =-0.3279 0.3152 0.4082 ( 1674 PWs) bands (ev): -7.0325 -7.0325 -6.7308 -6.7308 -4.3737 -4.3737 -3.6118 -3.6118 -2.9768 -2.9768 -2.4953 -2.4953 1.6843 1.6843 2.1044 2.1044 3.3970 3.3970 4.3330 4.3330 4.7675 4.7675 5.6486 5.6486 6.0568 6.0568 6.2826 6.2826 8.4501 8.4501 10.6443 10.6443 11.9615 11.9615 12.7039 12.7039 15.2610 15.2610 15.7134 15.7134 k =-0.3361 0.3231 0.4082 ( 1674 PWs) bands (ev): -6.9650 -6.9650 -6.6739 -6.6739 -4.4250 -4.4250 -3.6450 -3.6450 -3.0445 -3.0445 -2.5316 -2.5316 1.5879 1.5879 2.0344 2.0344 3.4101 3.4101 4.3216 4.3216 4.8198 4.8198 5.6665 5.6665 6.1086 6.1086 6.3295 6.3295 8.4805 8.4805 10.7448 10.7448 11.9879 11.9879 12.8178 12.8178 15.2790 15.2790 15.6754 15.6754 k =-0.3443 0.3310 0.4082 ( 1678 PWs) bands (ev): -6.8971 -6.8971 -6.6168 -6.6168 -4.4754 -4.4754 -3.6769 -3.6769 -3.1121 -3.1121 -2.5663 -2.5663 1.4947 1.4947 1.9612 1.9612 3.4269 3.4269 4.3102 4.3102 4.8710 4.8710 5.6816 5.6816 6.1586 6.1586 6.3744 6.3744 8.5148 8.5148 10.8445 10.8445 12.0063 12.0063 12.9309 12.9309 15.3074 15.3074 15.6391 15.6391 k =-0.3525 0.3389 0.4082 ( 1678 PWs) bands (ev): -6.8289 -6.8289 -6.5596 -6.5596 -4.5249 -4.5249 -3.7073 -3.7073 -3.1795 -3.1795 -2.5995 -2.5995 1.4050 1.4050 1.8863 1.8863 3.4464 3.4464 4.2990 4.2990 4.9213 4.9213 5.6942 5.6942 6.2067 6.2067 6.4173 6.4173 8.5525 8.5525 10.9431 10.9431 12.0175 12.0175 13.0426 13.0426 15.3460 15.3460 15.6044 15.6044 k =-0.3607 0.3468 0.4082 ( 1682 PWs) bands (ev): -6.7605 -6.7605 -6.5024 -6.5024 -4.5737 -4.5737 -3.7363 -3.7363 -3.2466 -3.2466 -2.6311 -2.6311 1.3188 1.3188 1.8109 1.8109 3.4675 3.4675 4.2880 4.2880 4.9703 4.9703 5.7045 5.7045 6.2527 6.2527 6.4581 6.4581 8.5930 8.5930 11.0399 11.0399 12.0218 12.0218 13.1525 13.1525 15.3938 15.3938 15.5715 15.5715 k =-0.3689 0.3546 0.4082 ( 1686 PWs) bands (ev): -6.6922 -6.6922 -6.4453 -6.4453 -4.6216 -4.6216 -3.7637 -3.7637 -3.3134 -3.3134 -2.6610 -2.6610 1.2367 1.2367 1.7359 1.7359 3.4896 3.4896 4.2773 4.2773 5.0179 5.0179 5.7127 5.7127 6.2967 6.2967 6.4968 6.4968 8.6356 8.6356 11.1347 11.1347 12.0197 12.0197 13.2604 13.2604 15.4496 15.4496 15.5403 15.5403 k =-0.3770 0.3625 0.4082 ( 1694 PWs) bands (ev): -6.6242 -6.6242 -6.3884 -6.3884 -4.6688 -4.6688 -3.7896 -3.7896 -3.3796 -3.3796 -2.6893 -2.6893 1.1585 1.1585 1.6624 1.6624 3.5119 3.5119 4.2669 4.2669 5.0639 5.0639 5.7189 5.7189 6.3383 6.3383 6.5332 6.5332 8.6798 8.6798 11.2271 11.2271 12.0120 12.0120 13.3654 13.3654 15.5103 15.5103 15.5123 15.5123 k =-0.3852 0.3704 0.4082 ( 1694 PWs) bands (ev): -6.5568 -6.5568 -6.3320 -6.3320 -4.7151 -4.7151 -3.8140 -3.8140 -3.4450 -3.4450 -2.7158 -2.7158 1.0847 1.0847 1.5910 1.5910 3.5341 3.5341 4.2570 4.2570 5.1081 5.1081 5.7236 5.7236 6.3777 6.3777 6.5675 6.5675 8.7248 8.7248 11.3165 11.3165 11.9997 11.9997 13.4672 13.4672 15.4829 15.4829 15.5792 15.5792 k =-0.3934 0.3783 0.4082 ( 1698 PWs) bands (ev): -6.4903 -6.4903 -6.2761 -6.2761 -4.7606 -4.7606 -3.8368 -3.8368 -3.5094 -3.5094 -2.7407 -2.7407 1.0152 1.0152 1.5223 1.5223 3.5559 3.5559 4.2476 4.2476 5.1504 5.1504 5.7268 5.7268 6.4147 6.4147 6.5997 6.5997 8.7701 8.7701 11.4025 11.4025 11.9836 11.9836 13.5653 13.5653 15.4569 15.4569 15.6492 15.6492 k =-0.4016 0.3862 0.4082 ( 1694 PWs) bands (ev): -6.4250 -6.4250 -6.2210 -6.2210 -4.8054 -4.8054 -3.8580 -3.8580 -3.5725 -3.5725 -2.7637 -2.7637 0.9503 0.9503 1.4568 1.4568 3.5769 3.5769 4.2387 4.2387 5.1905 5.1905 5.7288 5.7288 6.4493 6.4493 6.6295 6.6295 8.8150 8.8150 11.4847 11.4847 11.9647 11.9647 13.6592 13.6592 15.4326 15.4326 15.7200 15.7200 k =-0.4098 0.3940 0.4082 ( 1690 PWs) bands (ev): -6.3613 -6.3613 -6.1668 -6.1668 -4.8492 -4.8492 -3.8776 -3.8776 -3.6339 -3.6339 -2.7850 -2.7850 0.8901 0.8901 1.3950 1.3950 3.5969 3.5969 4.2304 4.2304 5.2284 5.2284 5.7299 5.7299 6.4811 6.4811 6.6571 6.6571 8.8589 8.8589 11.5624 11.5624 11.9439 11.9439 13.7484 13.7484 15.4100 15.4100 15.7890 15.7890 k =-0.4180 0.4019 0.4082 ( 1690 PWs) bands (ev): -6.2997 -6.2997 -6.1139 -6.1139 -4.8921 -4.8921 -3.8955 -3.8955 -3.6933 -3.6933 -2.8045 -2.8045 0.8347 0.8347 1.3373 1.3373 3.6156 3.6156 4.2227 4.2227 5.2636 5.2636 5.7302 5.7302 6.5105 6.5105 6.6823 6.6823 8.9011 8.9011 11.6354 11.6354 11.9219 11.9219 13.8322 13.8322 15.3893 15.3893 15.7658 15.7658 k =-0.4262 0.4098 0.4082 ( 1698 PWs) bands (ev): -6.2407 -6.2407 -6.0625 -6.0625 -4.9339 -4.9339 -3.9117 -3.9117 -3.7502 -3.7502 -2.8222 -2.8222 0.7843 0.7843 1.2840 1.2840 3.6329 3.6329 4.2156 4.2156 5.2962 5.2962 5.7299 5.7299 6.5371 6.5371 6.7051 6.7051 8.9410 8.9410 11.7031 11.7031 11.8996 11.8996 13.9101 13.9101 15.3703 15.3703 15.7172 15.7172 k =-0.4344 0.4177 0.4082 ( 1694 PWs) bands (ev): -6.1849 -6.1849 -6.0130 -6.0130 -4.9744 -4.9744 -3.9263 -3.9263 -3.8040 -3.8040 -2.8381 -2.8381 0.7389 0.7389 1.2354 1.2354 3.6488 3.6488 4.2092 4.2092 5.3259 5.3259 5.7292 5.7292 6.5612 6.5612 6.7256 6.7256 8.9784 8.9784 11.7651 11.7651 11.8779 11.8779 13.9817 13.9817 15.3531 15.3531 15.6730 15.6730 k =-0.4426 0.4256 0.4082 ( 1690 PWs) bands (ev): -6.1329 -6.1329 -5.9657 -5.9657 -5.0133 -5.0133 -3.9392 -3.9392 -3.8541 -3.8541 -2.8521 -2.8521 0.6986 0.6986 1.1920 1.1920 3.6630 3.6630 4.2035 4.2035 5.3526 5.3526 5.7283 5.7283 6.5825 6.5825 6.7439 6.7439 9.0126 9.0126 11.8212 11.8212 11.8572 11.8572 14.0465 14.0465 15.3378 15.3378 15.6331 15.6331 k =-0.4508 0.4334 0.4082 ( 1694 PWs) bands (ev): -6.0855 -6.0855 -5.9214 -5.9214 -5.0501 -5.0501 -3.9504 -3.9504 -3.8998 -3.8998 -2.8643 -2.8643 0.6636 0.6636 1.1538 1.1538 3.6755 3.6755 4.1985 4.1985 5.3760 5.3760 5.7272 5.7272 6.6011 6.6011 6.7597 6.7597 9.0432 9.0432 11.8380 11.8380 11.8705 11.8705 14.1038 14.1038 15.3244 15.3244 15.5978 15.5978 k =-0.4590 0.4413 0.4082 ( 1694 PWs) bands (ev): -6.0435 -6.0435 -5.8806 -5.8806 -5.0842 -5.0842 -3.9599 -3.9599 -3.9403 -3.9403 -2.8746 -2.8746 0.6338 0.6338 1.1212 1.1212 3.6861 3.6861 4.1943 4.1943 5.3961 5.3961 5.7261 5.7261 6.6168 6.6168 6.7731 6.7731 9.0698 9.0698 11.8210 11.8210 11.9128 11.9128 14.1532 14.1532 15.3129 15.3129 15.5676 15.5676 k =-0.4672 0.4492 0.4082 ( 1694 PWs) bands (ev): -6.0076 -6.0076 -5.8445 -5.8445 -5.1148 -5.1148 -3.9750 -3.9750 -3.9677 -3.9677 -2.8831 -2.8831 0.6094 0.6094 1.0942 1.0942 3.6950 3.6950 4.1908 4.1908 5.4128 5.4128 5.7251 5.7251 6.6298 6.6298 6.7841 6.7841 9.0920 9.0920 11.8066 11.8066 11.9480 11.9480 14.1942 14.1942 15.3034 15.3035 15.5427 15.5427 k =-0.4754 0.4571 0.4082 ( 1692 PWs) bands (ev): -5.9787 -5.9787 -5.8142 -5.8142 -5.1408 -5.1408 -4.0029 -4.0029 -3.9737 -3.9737 -2.8897 -2.8897 0.5904 0.5904 1.0730 1.0730 3.7019 3.7019 4.1881 4.1881 5.4258 5.4258 5.7242 5.7242 6.6399 6.6399 6.7927 6.7927 9.1096 9.1096 11.7950 11.7950 11.9757 11.9757 14.2267 14.2267 15.2960 15.2960 15.5231 15.5231 k =-0.4836 0.4650 0.4082 ( 1692 PWs) bands (ev): -5.9575 -5.9575 -5.7910 -5.7910 -5.1608 -5.1608 -4.0235 -4.0235 -3.9781 -3.9781 -2.8944 -2.8944 0.5768 0.5768 1.0578 1.0578 3.7068 3.7068 4.1861 4.1861 5.4352 5.4352 5.7236 5.7236 6.6471 6.6471 6.7988 6.7988 9.1223 9.1223 11.7865 11.7865 11.9956 11.9956 14.2501 14.2501 15.2906 15.2906 15.5090 15.5090 k =-0.4918 0.4728 0.4082 ( 1692 PWs) bands (ev): -5.9445 -5.9445 -5.7763 -5.7763 -5.1735 -5.1735 -4.0360 -4.0360 -3.9807 -3.9807 -2.8972 -2.8972 0.5686 0.5686 1.0487 1.0487 3.7098 3.7098 4.1849 4.1849 5.4409 5.4409 5.7231 5.7231 6.6514 6.6514 6.8025 6.8025 9.1300 9.1300 11.7813 11.7813 12.0076 12.0076 14.2642 14.2642 15.2874 15.2874 15.5005 15.5005 k =-0.5000 0.4807 0.4082 ( 1692 PWs) bands (ev): -5.9401 -5.9401 -5.7713 -5.7713 -5.1779 -5.1779 -4.0403 -4.0403 -3.9815 -3.9815 -2.8981 -2.8981 0.5659 0.5659 1.0456 1.0456 3.7108 3.7108 4.1845 4.1845 5.4428 5.4428 5.7230 5.7230 6.6529 6.6529 6.8037 6.8037 9.1325 9.1325 11.7796 11.7796 12.0116 12.0116 14.2689 14.2689 15.2863 15.2863 15.4976 15.4976 Writing output data file C.save init_run : 0.06s CPU 0.23s WALL ( 1 calls) electrons : 84.10s CPU 87.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 84.10s CPU 87.29s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 492 calls) cegterg : 75.73s CPU 77.33s WALL ( 622 calls) Called by sum_band: Called by *egterg: h_psi : 34.76s CPU 35.97s WALL ( 9970 calls) s_psi : 1.96s CPU 1.93s WALL ( 9970 calls) g_psi : 0.13s CPU 0.09s WALL ( 8856 calls) cdiaghg : 38.02s CPU 38.74s WALL ( 9348 calls) cegterg:over : 2.75s CPU 2.77s WALL ( 8856 calls) cegterg:upda : 1.86s CPU 1.81s WALL ( 8856 calls) cegterg:last : 1.22s CPU 1.23s WALL ( 1606 calls) cdiaghg:chol : 2.08s CPU 1.95s WALL ( 9348 calls) cdiaghg:inve : 0.77s CPU 0.87s WALL ( 9348 calls) cdiaghg:para : 2.25s CPU 2.38s WALL ( 18696 calls) Called by h_psi: h_psi:vloc : 29.69s CPU 30.73s WALL ( 9970 calls) h_psi:vnl : 5.02s CPU 5.18s WALL ( 9970 calls) add_vuspsi : 2.02s CPU 2.08s WALL ( 9970 calls) General routines calbec : 2.98s CPU 3.07s WALL ( 9970 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.64s CPU 28.61s WALL ( 820424 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.14s WALL ( 984 calls) Parallel routines fft_scatter : 15.47s CPU 16.10s WALL ( 820447 calls) PWSCF : 1m36.09s CPU 2m13.34s WALL This run was terminated on: 17:14:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=