Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:48 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: ./WN2.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 46 27 8 901 408 70 Max 47 28 9 905 425 72 Sum 1689 1005 313 32541 15043 2541 bravais-lattice index = 14 lattice parameter (alat) = 10.8010 a.u. unit-cell volume = 266.8366 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.800983 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.872169 celldm(5)= 0.872169 celldm(6)= 0.872169 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.872169 0.489205 0.000000 ) a(3) = ( 0.872169 0.227901 0.432877 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.782829 -1.076195 ) b(2) = ( 0.000000 2.044133 -1.076195 ) b(3) = ( 0.000000 0.000000 2.310124 ) PseudoPot. # 1 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 W 14.00 183.84000 W( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 413 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0078125 -0.0139284 -0.0084078), wk = 0.0024213 k( 3) = ( 0.0156250 -0.0278567 -0.0168155), wk = 0.0024213 k( 4) = ( 0.0234375 -0.0417851 -0.0252233), wk = 0.0024213 k( 5) = ( 0.0312500 -0.0557134 -0.0336311), wk = 0.0024213 k( 6) = ( 0.0390625 -0.0696418 -0.0420389), wk = 0.0024213 k( 7) = ( 0.0468750 -0.0835701 -0.0504466), wk = 0.0024213 k( 8) = ( 0.0546875 -0.0974985 -0.0588544), wk = 0.0024213 k( 9) = ( 0.0625000 -0.1114268 -0.0672622), wk = 0.0024213 k( 10) = ( 0.0703125 -0.1253552 -0.0756699), wk = 0.0024213 k( 11) = ( 0.0781250 -0.1392835 -0.0840777), wk = 0.0024213 k( 12) = ( 0.0859375 -0.1532119 -0.0924855), wk = 0.0024213 k( 13) = ( 0.0937500 -0.1671402 -0.1008933), wk = 0.0024213 k( 14) = ( 0.1015625 -0.1810686 -0.1093010), wk = 0.0024213 k( 15) = ( 0.1093750 -0.1949969 -0.1177088), wk = 0.0024213 k( 16) = ( 0.1171875 -0.2089253 -0.1261166), wk = 0.0024213 k( 17) = ( 0.1250000 -0.2228536 -0.1345243), wk = 0.0024213 k( 18) = ( 0.1328125 -0.2367820 -0.1429321), wk = 0.0024213 k( 19) = ( 0.1406250 -0.2507103 -0.1513399), wk = 0.0024213 k( 20) = ( 0.1484375 -0.2646387 -0.1597477), wk = 0.0024213 k( 21) = ( 0.1562500 -0.2785670 -0.1681554), wk = 0.0024213 k( 22) = ( 0.1640625 -0.2924954 -0.1765632), wk = 0.0024213 k( 23) = ( 0.1718750 -0.3064237 -0.1849710), wk = 0.0024213 k( 24) = ( 0.1796875 -0.3203521 -0.1933788), wk = 0.0024213 k( 25) = ( 0.1875000 -0.3342804 -0.2017865), wk = 0.0024213 k( 26) = ( 0.1953125 -0.3482088 -0.2101943), wk = 0.0024213 k( 27) = ( 0.2031250 -0.3621371 -0.2186021), wk = 0.0024213 k( 28) = ( 0.2109375 -0.3760655 -0.2270098), wk = 0.0024213 k( 29) = ( 0.2187500 -0.3899938 -0.2354176), wk = 0.0024213 k( 30) = ( 0.2265625 -0.4039222 -0.2438254), wk = 0.0024213 k( 31) = ( 0.2343750 -0.4178505 -0.2522332), wk = 0.0024213 k( 32) = ( 0.2421875 -0.4317789 -0.2606409), wk = 0.0024213 k( 33) = ( 0.2500000 -0.4457072 -0.2690487), wk = 0.0024213 k( 34) = ( 0.2578125 -0.4596356 -0.2774565), wk = 0.0024213 k( 35) = ( 0.2656250 -0.4735639 -0.2858642), wk = 0.0024213 k( 36) = ( 0.2734375 -0.4874923 -0.2942720), wk = 0.0024213 k( 37) = ( 0.2812500 -0.5014206 -0.3026798), wk = 0.0024213 k( 38) = ( 0.2890625 -0.5153490 -0.3110876), wk = 0.0024213 k( 39) = ( 0.2968750 -0.5292773 -0.3194953), wk = 0.0024213 k( 40) = ( 0.3046875 -0.5432057 -0.3279031), wk = 0.0024213 k( 41) = ( 0.3125000 -0.5571340 -0.3363109), wk = 0.0024213 k( 42) = ( 0.3203125 -0.5710624 -0.3447186), wk = 0.0024213 k( 43) = ( 0.3281250 -0.5849907 -0.3531264), wk = 0.0024213 k( 44) = ( 0.3359375 -0.5989191 -0.3615342), wk = 0.0024213 k( 45) = ( 0.3437500 -0.6128474 -0.3699420), wk = 0.0024213 k( 46) = ( 0.3515625 -0.6267758 -0.3783497), wk = 0.0024213 k( 47) = ( 0.3593750 -0.6407041 -0.3867575), wk = 0.0024213 k( 48) = ( 0.3671875 -0.6546325 -0.3951653), wk = 0.0024213 k( 49) = ( 0.3750000 -0.6685608 -0.4035730), wk = 0.0024213 k( 50) = ( 0.3828125 -0.6824892 -0.4119808), wk = 0.0024213 k( 51) = ( 0.3906250 -0.6964175 -0.4203886), wk = 0.0024213 k( 52) = ( 0.3984375 -0.7103459 -0.4287964), wk = 0.0024213 k( 53) = ( 0.4062500 -0.7242742 -0.4372041), wk = 0.0024213 k( 54) = ( 0.4140625 -0.7382026 -0.4456119), wk = 0.0024213 k( 55) = ( 0.4218750 -0.7521309 -0.4540197), wk = 0.0024213 k( 56) = ( 0.4296875 -0.7660593 -0.4624274), wk = 0.0024213 k( 57) = ( 0.4375000 -0.7799876 -0.4708352), wk = 0.0024213 k( 58) = ( 0.4453125 -0.7939160 -0.4792430), wk = 0.0024213 k( 59) = ( 0.4531250 -0.8078443 -0.4876508), wk = 0.0024213 k( 60) = ( 0.4609375 -0.8217727 -0.4960585), wk = 0.0024213 k( 61) = ( 0.4687500 -0.8357010 -0.5044663), wk = 0.0024213 k( 62) = ( 0.4765625 -0.8496294 -0.5128741), wk = 0.0024213 k( 63) = ( 0.4843750 -0.8635577 -0.5212819), wk = 0.0024213 k( 64) = ( 0.4921875 -0.8774861 -0.5296896), wk = 0.0024213 k( 65) = ( 0.5000000 -0.8914144 -0.5380974), wk = 0.0024213 k( 66) = ( 0.5000000 -0.8914144 -0.5380974), wk = 0.0024213 k( 67) = ( 0.5000000 -0.8821038 -0.5535215), wk = 0.0024213 k( 68) = ( 0.5000000 -0.8727931 -0.5689456), wk = 0.0024213 k( 69) = ( 0.5000000 -0.8634824 -0.5843698), wk = 0.0024213 k( 70) = ( 0.5000000 -0.8541717 -0.5997939), wk = 0.0024213 k( 71) = ( 0.5000000 -0.8448610 -0.6152180), wk = 0.0024213 k( 72) = ( 0.5000000 -0.8355503 -0.6306421), wk = 0.0024213 k( 73) = ( 0.5000000 -0.8262397 -0.6460662), wk = 0.0024213 k( 74) = ( 0.5000000 -0.8169290 -0.6614903), wk = 0.0024213 k( 75) = ( 0.5000000 -0.8076183 -0.6769145), wk = 0.0024213 k( 76) = ( 0.5000000 -0.7983076 -0.6923386), wk = 0.0024213 k( 77) = ( 0.5000000 -0.7889969 -0.7077627), wk = 0.0024213 k( 78) = ( 0.5000000 -0.7796862 -0.7231868), wk = 0.0024213 k( 79) = ( 0.5000000 -0.7703755 -0.7386109), wk = 0.0024213 k( 80) = ( 0.5000000 -0.7610649 -0.7540350), wk = 0.0024213 k( 81) = ( 0.5000000 -0.7517542 -0.7694592), wk = 0.0024213 k( 82) = ( 0.5000000 -0.7424435 -0.7848833), wk = 0.0024213 k( 83) = ( 0.5000000 -0.7331328 -0.8003074), wk = 0.0024213 k( 84) = ( 0.5000000 -0.7238221 -0.8157315), wk = 0.0024213 k( 85) = ( 0.5000000 -0.7145114 -0.8311556), wk = 0.0024213 k( 86) = ( 0.5000000 -0.7052008 -0.8465797), wk = 0.0024213 k( 87) = ( 0.5000000 -0.6958901 -0.8620039), wk = 0.0024213 k( 88) = ( 0.5000000 -0.6865794 -0.8774280), wk = 0.0024213 k( 89) = ( 0.5000000 -0.6772687 -0.8928521), wk = 0.0024213 k( 90) = ( 0.5000000 -0.6679580 -0.9082762), wk = 0.0024213 k( 91) = ( 0.5000000 -0.6586473 -0.9237004), wk = 0.0024213 k( 92) = ( 0.5000000 -0.6493367 -0.9391245), wk = 0.0024213 k( 93) = ( 0.5000000 -0.6400260 -0.9545486), wk = 0.0024213 k( 94) = ( 0.5000000 -0.6307153 -0.9699727), wk = 0.0024213 k( 95) = ( 0.5000000 -0.6214046 -0.9853968), wk = 0.0024213 k( 96) = ( 0.5000000 -0.6120939 -1.0008209), wk = 0.0024213 k( 97) = ( 0.5000000 -0.6027832 -1.0162451), wk = 0.0024213 k( 98) = ( 0.5000000 -0.5934726 -1.0316692), wk = 0.0024213 k( 99) = ( 0.5000000 -0.5841619 -1.0470933), wk = 0.0024213 k( 100) = ( 0.5000000 -0.5748512 -1.0625174), wk = 0.0024213 k( 101) = ( 0.5000000 -0.5655405 -1.0779415), wk = 0.0024213 k( 102) = ( 0.5000000 -0.5562298 -1.0933656), wk = 0.0024213 k( 103) = ( 0.5000000 -0.5469191 -1.1087898), wk = 0.0024213 k( 104) = ( 0.5000000 -0.5376085 -1.1242139), wk = 0.0024213 k( 105) = ( 0.5000000 -0.5282978 -1.1396380), wk = 0.0024213 k( 106) = ( 0.5000000 -0.5189871 -1.1550621), wk = 0.0024213 k( 107) = ( 0.8178067 -0.4359430 -0.9973275), wk = 0.0024213 k( 108) = ( 0.8132666 -0.4278488 -0.9819533), wk = 0.0024213 k( 109) = ( 0.8087265 -0.4197545 -0.9665790), wk = 0.0024213 k( 110) = ( 0.8041864 -0.4116603 -0.9512048), wk = 0.0024213 k( 111) = ( 0.7996463 -0.4035661 -0.9358306), wk = 0.0024213 k( 112) = ( 0.7951062 -0.3954719 -0.9204564), wk = 0.0024213 k( 113) = ( 0.7905661 -0.3873777 -0.9050822), wk = 0.0024213 k( 114) = ( 0.7860260 -0.3792835 -0.8897080), wk = 0.0024213 k( 115) = ( 0.7814859 -0.3711893 -0.8743338), wk = 0.0024213 k( 116) = ( 0.7769458 -0.3630951 -0.8589596), wk = 0.0024213 k( 117) = ( 0.7724057 -0.3550008 -0.8435853), wk = 0.0024213 k( 118) = ( 0.7678656 -0.3469066 -0.8282112), wk = 0.0024213 k( 119) = ( 0.7633255 -0.3388124 -0.8128369), wk = 0.0024213 k( 120) = ( 0.7587854 -0.3307182 -0.7974627), wk = 0.0024213 k( 121) = ( 0.7542453 -0.3226240 -0.7820885), wk = 0.0024213 k( 122) = ( 0.7497052 -0.3145298 -0.7667143), wk = 0.0024213 k( 123) = ( 0.7451652 -0.3064356 -0.7513401), wk = 0.0024213 k( 124) = ( 0.7406251 -0.2983413 -0.7359659), wk = 0.0024213 k( 125) = ( 0.7360850 -0.2902471 -0.7205917), wk = 0.0024213 k( 126) = ( 0.7315449 -0.2821529 -0.7052174), wk = 0.0024213 k( 127) = ( 0.7270048 -0.2740587 -0.6898432), wk = 0.0024213 k( 128) = ( 0.7224647 -0.2659645 -0.6744690), wk = 0.0024213 k( 129) = ( 0.7179246 -0.2578703 -0.6590948), wk = 0.0024213 k( 130) = ( 0.7133845 -0.2497761 -0.6437206), wk = 0.0024213 k( 131) = ( 0.7088444 -0.2416819 -0.6283464), wk = 0.0024213 k( 132) = ( 0.7043043 -0.2335876 -0.6129722), wk = 0.0024213 k( 133) = ( 0.6997642 -0.2254934 -0.5975980), wk = 0.0024213 k( 134) = ( 0.6952241 -0.2173992 -0.5822238), wk = 0.0024213 k( 135) = ( 0.6906840 -0.2093050 -0.5668496), wk = 0.0024213 k( 136) = ( 0.6861439 -0.2012108 -0.5514753), wk = 0.0024213 k( 137) = ( 0.6816038 -0.1931166 -0.5361011), wk = 0.0024213 k( 138) = ( 0.6770637 -0.1850224 -0.5207269), wk = 0.0024213 k( 139) = ( 0.6725236 -0.1769281 -0.5053527), wk = 0.0024213 k( 140) = ( 0.6679835 -0.1688339 -0.4899785), wk = 0.0024213 k( 141) = ( 0.6634434 -0.1607397 -0.4746043), wk = 0.0024213 k( 142) = ( 0.6589033 -0.1526455 -0.4592301), wk = 0.0024213 k( 143) = ( 0.6543632 -0.1445513 -0.4438559), wk = 0.0024213 k( 144) = ( 0.6498232 -0.1364571 -0.4284817), wk = 0.0024213 k( 145) = ( 0.6452830 -0.1283629 -0.4131074), wk = 0.0024213 k( 146) = ( 0.6407430 -0.1202687 -0.3977332), wk = 0.0024213 k( 147) = ( 0.6362029 -0.1121744 -0.3823590), wk = 0.0024213 k( 148) = ( 0.6316628 -0.1040802 -0.3669848), wk = 0.0024213 k( 149) = ( 0.6271227 -0.0959860 -0.3516106), wk = 0.0024213 k( 150) = ( 0.6225826 -0.0878918 -0.3362364), wk = 0.0024213 k( 151) = ( 0.6180425 -0.0797976 -0.3208622), wk = 0.0024213 k( 152) = ( 0.6135024 -0.0717034 -0.3054879), wk = 0.0024213 k( 153) = ( 0.6089623 -0.0636092 -0.2901137), wk = 0.0024213 k( 154) = ( 0.6044222 -0.0555149 -0.2747395), wk = 0.0024213 k( 155) = ( 0.5998821 -0.0474207 -0.2593653), wk = 0.0024213 k( 156) = ( 0.5953420 -0.0393265 -0.2439911), wk = 0.0024213 k( 157) = ( 0.5908019 -0.0312323 -0.2286169), wk = 0.0024213 k( 158) = ( 0.5862618 -0.0231381 -0.2132427), wk = 0.0024213 k( 159) = ( 0.5817217 -0.0150439 -0.1978685), wk = 0.0024213 k( 160) = ( 0.5771816 -0.0069497 -0.1824943), wk = 0.0024213 k( 161) = ( 0.5726415 0.0011445 -0.1671201), wk = 0.0024213 k( 162) = ( 0.5681014 0.0092388 -0.1517458), wk = 0.0024213 k( 163) = ( 0.5635613 0.0173330 -0.1363716), wk = 0.0024213 k( 164) = ( 0.5590212 0.0254272 -0.1209974), wk = 0.0024213 k( 165) = ( 0.5544811 0.0335214 -0.1056232), wk = 0.0024213 k( 166) = ( 0.5499411 0.0416156 -0.0902490), wk = 0.0024213 k( 167) = ( 0.5454009 0.0497098 -0.0748748), wk = 0.0024213 k( 168) = ( 0.5408609 0.0578040 -0.0595006), wk = 0.0024213 k( 169) = ( 0.5363208 0.0658983 -0.0441264), wk = 0.0024213 k( 170) = ( 0.5317807 0.0739925 -0.0287522), wk = 0.0024213 k( 171) = ( 0.5272406 0.0820867 -0.0133779), wk = 0.0024213 k( 172) = ( 0.5227005 0.0901809 0.0019963), wk = 0.0024213 k( 173) = ( 0.5181604 0.0982751 0.0173705), wk = 0.0024213 k( 174) = ( 0.5136203 0.1063693 0.0327447), wk = 0.0024213 k( 175) = ( 0.5090802 0.1144635 0.0481189), wk = 0.0024213 k( 176) = ( 0.5045401 0.1225577 0.0634931), wk = 0.0024213 k( 177) = ( 0.5000000 0.1306519 0.0788673), wk = 0.0024213 k( 178) = ( 0.5000000 0.1306519 0.0788673), wk = 0.0024213 k( 179) = ( 0.4827586 0.1261467 0.0761478), wk = 0.0024213 k( 180) = ( 0.4655172 0.1216415 0.0734282), wk = 0.0024213 k( 181) = ( 0.4482759 0.1171362 0.0707086), wk = 0.0024213 k( 182) = ( 0.4310345 0.1126310 0.0679891), wk = 0.0024213 k( 183) = ( 0.4137931 0.1081258 0.0652695), wk = 0.0024213 k( 184) = ( 0.3965517 0.1036205 0.0625499), wk = 0.0024213 k( 185) = ( 0.3793103 0.0991153 0.0598304), wk = 0.0024213 k( 186) = ( 0.3620690 0.0946100 0.0571108), wk = 0.0024213 k( 187) = ( 0.3448276 0.0901048 0.0543913), wk = 0.0024213 k( 188) = ( 0.3275862 0.0855996 0.0516717), wk = 0.0024213 k( 189) = ( 0.3103448 0.0810943 0.0489521), wk = 0.0024213 k( 190) = ( 0.2931034 0.0765891 0.0462326), wk = 0.0024213 k( 191) = ( 0.2758621 0.0720838 0.0435130), wk = 0.0024213 k( 192) = ( 0.2586207 0.0675786 0.0407934), wk = 0.0024213 k( 193) = ( 0.2413793 0.0630734 0.0380739), wk = 0.0024213 k( 194) = ( 0.2241379 0.0585681 0.0353543), wk = 0.0024213 k( 195) = ( 0.2068966 0.0540629 0.0326348), wk = 0.0024213 k( 196) = ( 0.1896552 0.0495576 0.0299152), wk = 0.0024213 k( 197) = ( 0.1724138 0.0450524 0.0271956), wk = 0.0024213 k( 198) = ( 0.1551724 0.0405472 0.0244761), wk = 0.0024213 k( 199) = ( 0.1379310 0.0360419 0.0217565), wk = 0.0024213 k( 200) = ( 0.1206897 0.0315367 0.0190369), wk = 0.0024213 k( 201) = ( 0.1034483 0.0270314 0.0163174), wk = 0.0024213 k( 202) = ( 0.0862069 0.0225262 0.0135978), wk = 0.0024213 k( 203) = ( 0.0689655 0.0180210 0.0108783), wk = 0.0024213 k( 204) = ( 0.0517241 0.0135157 0.0081587), wk = 0.0024213 k( 205) = ( 0.0344828 0.0090105 0.0054391), wk = 0.0024213 k( 206) = ( 0.0172414 0.0045052 0.0027196), wk = 0.0024213 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 209) = ( 0.0045480 -0.0081082 -0.0154008), wk = 0.0024213 k( 210) = ( 0.0090959 -0.0162165 -0.0308017), wk = 0.0024213 k( 211) = ( 0.0136439 -0.0243247 -0.0462025), wk = 0.0024213 k( 212) = ( 0.0181918 -0.0324329 -0.0616033), wk = 0.0024213 k( 213) = ( 0.0227398 -0.0405411 -0.0770041), wk = 0.0024213 k( 214) = ( 0.0272877 -0.0486494 -0.0924050), wk = 0.0024213 k( 215) = ( 0.0318357 -0.0567576 -0.1078058), wk = 0.0024213 k( 216) = ( 0.0363836 -0.0648658 -0.1232066), wk = 0.0024213 k( 217) = ( 0.0409316 -0.0729740 -0.1386075), wk = 0.0024213 k( 218) = ( 0.0454796 -0.0810823 -0.1540083), wk = 0.0024213 k( 219) = ( 0.0500275 -0.0891905 -0.1694091), wk = 0.0024213 k( 220) = ( 0.0545755 -0.0972987 -0.1848100), wk = 0.0024213 k( 221) = ( 0.0591234 -0.1054069 -0.2002108), wk = 0.0024213 k( 222) = ( 0.0636714 -0.1135152 -0.2156116), wk = 0.0024213 k( 223) = ( 0.0682193 -0.1216234 -0.2310124), wk = 0.0024213 k( 224) = ( 0.0727673 -0.1297316 -0.2464133), wk = 0.0024213 k( 225) = ( 0.0773152 -0.1378398 -0.2618141), wk = 0.0024213 k( 226) = ( 0.0818632 -0.1459481 -0.2772149), wk = 0.0024213 k( 227) = ( 0.0864112 -0.1540563 -0.2926157), wk = 0.0024213 k( 228) = ( 0.0909591 -0.1621645 -0.3080166), wk = 0.0024213 k( 229) = ( 0.0955071 -0.1702728 -0.3234174), wk = 0.0024213 k( 230) = ( 0.1000550 -0.1783810 -0.3388182), wk = 0.0024213 k( 231) = ( 0.1046030 -0.1864892 -0.3542191), wk = 0.0024213 k( 232) = ( 0.1091509 -0.1945974 -0.3696199), wk = 0.0024213 k( 233) = ( 0.1136989 -0.2027057 -0.3850207), wk = 0.0024213 k( 234) = ( 0.1182468 -0.2108139 -0.4004215), wk = 0.0024213 k( 235) = ( 0.1227948 -0.2189221 -0.4158224), wk = 0.0024213 k( 236) = ( 0.1273428 -0.2270303 -0.4312232), wk = 0.0024213 k( 237) = ( 0.1318907 -0.2351386 -0.4466240), wk = 0.0024213 k( 238) = ( 0.1364387 -0.2432468 -0.4620248), wk = 0.0024213 k( 239) = ( 0.1409866 -0.2513550 -0.4774257), wk = 0.0024213 k( 240) = ( 0.1455346 -0.2594633 -0.4928265), wk = 0.0024213 k( 241) = ( 0.1500825 -0.2675715 -0.5082273), wk = 0.0024213 k( 242) = ( 0.1546305 -0.2756797 -0.5236282), wk = 0.0024213 k( 243) = ( 0.1591784 -0.2837879 -0.5390290), wk = 0.0024213 k( 244) = ( 0.1637264 -0.2918962 -0.5544298), wk = 0.0024213 k( 245) = ( 0.1682743 -0.3000044 -0.5698306), wk = 0.0024213 k( 246) = ( 0.1728223 -0.3081126 -0.5852315), wk = 0.0024213 k( 247) = ( 0.1773703 -0.3162208 -0.6006323), wk = 0.0024213 k( 248) = ( 0.1819182 -0.3243291 -0.6160331), wk = 0.0024213 k( 249) = ( 0.1864662 -0.3324373 -0.6314340), wk = 0.0024213 k( 250) = ( 0.1910141 -0.3405455 -0.6468348), wk = 0.0024213 k( 251) = ( 0.1955621 -0.3486537 -0.6622356), wk = 0.0024213 k( 252) = ( 0.2001100 -0.3567620 -0.6776364), wk = 0.0024213 k( 253) = ( 0.2046580 -0.3648702 -0.6930373), wk = 0.0024213 k( 254) = ( 0.2092060 -0.3729784 -0.7084381), wk = 0.0024213 k( 255) = ( 0.2137539 -0.3810866 -0.7238389), wk = 0.0024213 k( 256) = ( 0.2183019 -0.3891949 -0.7392397), wk = 0.0024213 k( 257) = ( 0.2228498 -0.3973031 -0.7546406), wk = 0.0024213 k( 258) = ( 0.2273978 -0.4054113 -0.7700414), wk = 0.0024213 k( 259) = ( 0.2319457 -0.4135195 -0.7854422), wk = 0.0024213 k( 260) = ( 0.2364937 -0.4216278 -0.8008431), wk = 0.0024213 k( 261) = ( 0.2410416 -0.4297360 -0.8162439), wk = 0.0024213 k( 262) = ( 0.2455896 -0.4378442 -0.8316447), wk = 0.0024213 k( 263) = ( 0.2501375 -0.4459524 -0.8470455), wk = 0.0024213 k( 264) = ( 0.2546855 -0.4540607 -0.8624464), wk = 0.0024213 k( 265) = ( 0.2592335 -0.4621689 -0.8778472), wk = 0.0024213 k( 266) = ( 0.2637814 -0.4702771 -0.8932480), wk = 0.0024213 k( 267) = ( 0.2683294 -0.4783853 -0.9086489), wk = 0.0024213 k( 268) = ( 0.2728773 -0.4864936 -0.9240497), wk = 0.0024213 k( 269) = ( 0.2774253 -0.4946018 -0.9394505), wk = 0.0024213 k( 270) = ( 0.2819732 -0.5027100 -0.9548513), wk = 0.0024213 k( 271) = ( 0.2865212 -0.5108183 -0.9702522), wk = 0.0024213 k( 272) = ( 0.2910691 -0.5189265 -0.9856530), wk = 0.0024213 k( 273) = ( 0.2956171 -0.5270347 -1.0010538), wk = 0.0024213 k( 274) = ( 0.3001651 -0.5351429 -1.0164547), wk = 0.0024213 k( 275) = ( 0.3047130 -0.5432512 -1.0318555), wk = 0.0024213 k( 276) = ( 0.3092610 -0.5513594 -1.0472563), wk = 0.0024213 k( 277) = ( 0.3138089 -0.5594676 -1.0626572), wk = 0.0024213 k( 278) = ( 0.3183569 -0.5675758 -1.0780580), wk = 0.0024213 k( 279) = ( 0.3229048 -0.5756841 -1.0934588), wk = 0.0024213 k( 280) = ( 0.3274528 -0.5837923 -1.1088596), wk = 0.0024213 k( 281) = ( 0.3320008 -0.5919005 -1.1242605), wk = 0.0024213 k( 282) = ( 0.3365487 -0.6000088 -1.1396613), wk = 0.0024213 k( 283) = ( 0.3410967 -0.6081170 -1.1550621), wk = 0.0024213 k( 284) = ( 0.6589033 -0.4774650 -1.0761948), wk = 0.0024213 k( 285) = ( 0.6543632 -0.4600902 -1.0761948), wk = 0.0024213 k( 286) = ( 0.6498232 -0.4427155 -1.0761948), wk = 0.0024213 k( 287) = ( 0.6452830 -0.4253407 -1.0761948), wk = 0.0024213 k( 288) = ( 0.6407430 -0.4079660 -1.0761948), wk = 0.0024213 k( 289) = ( 0.6362029 -0.3905912 -1.0761948), wk = 0.0024213 k( 290) = ( 0.6316628 -0.3732164 -1.0761948), wk = 0.0024213 k( 291) = ( 0.6271227 -0.3558416 -1.0761948), wk = 0.0024213 k( 292) = ( 0.6225826 -0.3384668 -1.0761948), wk = 0.0024213 k( 293) = ( 0.6180425 -0.3210921 -1.0761948), wk = 0.0024213 k( 294) = ( 0.6135024 -0.3037173 -1.0761948), wk = 0.0024213 k( 295) = ( 0.6089623 -0.2863426 -1.0761948), wk = 0.0024213 k( 296) = ( 0.6044222 -0.2689678 -1.0761948), wk = 0.0024213 k( 297) = ( 0.5998821 -0.2515930 -1.0761948), wk = 0.0024213 k( 298) = ( 0.5953420 -0.2342182 -1.0761948), wk = 0.0024213 k( 299) = ( 0.5908019 -0.2168435 -1.0761948), wk = 0.0024213 k( 300) = ( 0.5862618 -0.1994687 -1.0761948), wk = 0.0024213 k( 301) = ( 0.5817217 -0.1820939 -1.0761948), wk = 0.0024213 k( 302) = ( 0.5771816 -0.1647191 -1.0761948), wk = 0.0024213 k( 303) = ( 0.5726415 -0.1473444 -1.0761948), wk = 0.0024213 k( 304) = ( 0.5681014 -0.1299696 -1.0761948), wk = 0.0024213 k( 305) = ( 0.5635613 -0.1125949 -1.0761948), wk = 0.0024213 k( 306) = ( 0.5590212 -0.0952201 -1.0761948), wk = 0.0024213 k( 307) = ( 0.5544811 -0.0778453 -1.0761948), wk = 0.0024213 k( 308) = ( 0.5499411 -0.0604705 -1.0761948), wk = 0.0024213 k( 309) = ( 0.5454009 -0.0430957 -1.0761948), wk = 0.0024213 k( 310) = ( 0.5408609 -0.0257210 -1.0761948), wk = 0.0024213 k( 311) = ( 0.5363208 -0.0083462 -1.0761948), wk = 0.0024213 k( 312) = ( 0.5317807 0.0090285 -1.0761948), wk = 0.0024213 k( 313) = ( 0.5272406 0.0264033 -1.0761948), wk = 0.0024213 k( 314) = ( 0.5227005 0.0437781 -1.0761948), wk = 0.0024213 k( 315) = ( 0.5181604 0.0611529 -1.0761948), wk = 0.0024213 k( 316) = ( 0.5136203 0.0785276 -1.0761948), wk = 0.0024213 k( 317) = ( 0.5090802 0.0959024 -1.0761948), wk = 0.0024213 k( 318) = ( 0.5045401 0.1132772 -1.0761948), wk = 0.0024213 k( 319) = ( 0.5000000 0.1306519 -1.0761948), wk = 0.0024213 k( 320) = ( 0.5000000 0.1306519 -1.0761948), wk = 0.0024213 k( 321) = ( 0.5144458 0.1344267 -1.0690250), wk = 0.0024213 k( 322) = ( 0.5288915 0.1382014 -1.0618553), wk = 0.0024213 k( 323) = ( 0.5433373 0.1419761 -1.0546855), wk = 0.0024213 k( 324) = ( 0.5577830 0.1457509 -1.0475158), wk = 0.0024213 k( 325) = ( 0.5722288 0.1495256 -1.0403460), wk = 0.0024213 k( 326) = ( 0.5866746 0.1533003 -1.0331762), wk = 0.0024213 k( 327) = ( 0.6011203 0.1570751 -1.0260065), wk = 0.0024213 k( 328) = ( 0.6155661 0.1608498 -1.0188367), wk = 0.0024213 k( 329) = ( 0.6300118 0.1646245 -1.0116670), wk = 0.0024213 k( 330) = ( 0.6444576 0.1683993 -1.0044972), wk = 0.0024213 k( 331) = ( 0.6589033 0.1721740 -0.9973275), wk = 0.0024213 k( 332) = ( 0.6589033 0.1721740 -0.9973275), wk = 0.0024213 k( 333) = ( 0.6562550 0.1714820 -0.9793909), wk = 0.0024213 k( 334) = ( 0.6536066 0.1707899 -0.9614543), wk = 0.0024213 k( 335) = ( 0.6509582 0.1700979 -0.9435177), wk = 0.0024213 k( 336) = ( 0.6483098 0.1694059 -0.9255811), wk = 0.0024213 k( 337) = ( 0.6456614 0.1687138 -0.9076446), wk = 0.0024213 k( 338) = ( 0.6430130 0.1680218 -0.8897080), wk = 0.0024213 k( 339) = ( 0.6403646 0.1673298 -0.8717714), wk = 0.0024213 k( 340) = ( 0.6377162 0.1666377 -0.8538348), wk = 0.0024213 k( 341) = ( 0.6350678 0.1659457 -0.8358982), wk = 0.0024213 k( 342) = ( 0.6324194 0.1652537 -0.8179617), wk = 0.0024213 k( 343) = ( 0.6297711 0.1645616 -0.8000251), wk = 0.0024213 k( 344) = ( 0.6271227 0.1638696 -0.7820885), wk = 0.0024213 k( 345) = ( 0.6244743 0.1631776 -0.7641519), wk = 0.0024213 k( 346) = ( 0.6218259 0.1624855 -0.7462153), wk = 0.0024213 k( 347) = ( 0.6191775 0.1617935 -0.7282788), wk = 0.0024213 k( 348) = ( 0.6165291 0.1611015 -0.7103422), wk = 0.0024213 k( 349) = ( 0.6138807 0.1604094 -0.6924056), wk = 0.0024213 k( 350) = ( 0.6112323 0.1597174 -0.6744690), wk = 0.0024213 k( 351) = ( 0.6085839 0.1590254 -0.6565324), wk = 0.0024213 k( 352) = ( 0.6059356 0.1583333 -0.6385959), wk = 0.0024213 k( 353) = ( 0.6032872 0.1576413 -0.6206593), wk = 0.0024213 k( 354) = ( 0.6006388 0.1569493 -0.6027227), wk = 0.0024213 k( 355) = ( 0.5979904 0.1562572 -0.5847861), wk = 0.0024213 k( 356) = ( 0.5953420 0.1555652 -0.5668496), wk = 0.0024213 k( 357) = ( 0.5926936 0.1548732 -0.5489130), wk = 0.0024213 k( 358) = ( 0.5900452 0.1541811 -0.5309764), wk = 0.0024213 k( 359) = ( 0.5873968 0.1534891 -0.5130398), wk = 0.0024213 k( 360) = ( 0.5847484 0.1527971 -0.4951032), wk = 0.0024213 k( 361) = ( 0.5821001 0.1521050 -0.4771667), wk = 0.0024213 k( 362) = ( 0.5794517 0.1514130 -0.4592301), wk = 0.0024213 k( 363) = ( 0.5768033 0.1507209 -0.4412935), wk = 0.0024213 k( 364) = ( 0.5741549 0.1500289 -0.4233569), wk = 0.0024213 k( 365) = ( 0.5715065 0.1493369 -0.4054203), wk = 0.0024213 k( 366) = ( 0.5688581 0.1486448 -0.3874838), wk = 0.0024213 k( 367) = ( 0.5662097 0.1479528 -0.3695472), wk = 0.0024213 k( 368) = ( 0.5635613 0.1472608 -0.3516106), wk = 0.0024213 k( 369) = ( 0.5609129 0.1465687 -0.3336740), wk = 0.0024213 k( 370) = ( 0.5582646 0.1458767 -0.3157374), wk = 0.0024213 k( 371) = ( 0.5556162 0.1451847 -0.2978009), wk = 0.0024213 k( 372) = ( 0.5529678 0.1444926 -0.2798643), wk = 0.0024213 k( 373) = ( 0.5503194 0.1438006 -0.2619277), wk = 0.0024213 k( 374) = ( 0.5476710 0.1431086 -0.2439911), wk = 0.0024213 k( 375) = ( 0.5450226 0.1424165 -0.2260545), wk = 0.0024213 k( 376) = ( 0.5423742 0.1417245 -0.2081180), wk = 0.0024213 k( 377) = ( 0.5397258 0.1410325 -0.1901814), wk = 0.0024213 k( 378) = ( 0.5370774 0.1403404 -0.1722448), wk = 0.0024213 k( 379) = ( 0.5344291 0.1396484 -0.1543082), wk = 0.0024213 k( 380) = ( 0.5317807 0.1389564 -0.1363716), wk = 0.0024213 k( 381) = ( 0.5291323 0.1382643 -0.1184351), wk = 0.0024213 k( 382) = ( 0.5264839 0.1375723 -0.1004985), wk = 0.0024213 k( 383) = ( 0.5238355 0.1368803 -0.0825619), wk = 0.0024213 k( 384) = ( 0.5211871 0.1361882 -0.0646253), wk = 0.0024213 k( 385) = ( 0.5185387 0.1354962 -0.0466887), wk = 0.0024213 k( 386) = ( 0.5158903 0.1348042 -0.0287521), wk = 0.0024213 k( 387) = ( 0.5132419 0.1341121 -0.0108156), wk = 0.0024213 k( 388) = ( 0.5105936 0.1334201 0.0071210), wk = 0.0024213 k( 389) = ( 0.5079452 0.1327281 0.0250576), wk = 0.0024213 k( 390) = ( 0.5052968 0.1320360 0.0429942), wk = 0.0024213 k( 391) = ( 0.5026484 0.1313440 0.0609307), wk = 0.0024213 k( 392) = ( 0.5000000 0.1306519 0.0788673), wk = 0.0024213 k( 393) = ( 0.5000000 -0.8914144 -0.5380974), wk = 0.0024213 k( 394) = ( 0.5158903 -0.8848818 -0.5341540), wk = 0.0024213 k( 395) = ( 0.5317807 -0.8783492 -0.5302107), wk = 0.0024213 k( 396) = ( 0.5476710 -0.8718166 -0.5262673), wk = 0.0024213 k( 397) = ( 0.5635613 -0.8652841 -0.5223239), wk = 0.0024213 k( 398) = ( 0.5794517 -0.8587514 -0.5183806), wk = 0.0024213 k( 399) = ( 0.5953420 -0.8522188 -0.5144372), wk = 0.0024213 k( 400) = ( 0.6112323 -0.8456863 -0.5104938), wk = 0.0024213 k( 401) = ( 0.6271227 -0.8391537 -0.5065505), wk = 0.0024213 k( 402) = ( 0.6430130 -0.8326210 -0.5026071), wk = 0.0024213 k( 403) = ( 0.6589033 -0.8260885 -0.4986637), wk = 0.0024213 k( 404) = ( 0.6747937 -0.8195559 -0.4947204), wk = 0.0024213 k( 405) = ( 0.6906840 -0.8130233 -0.4907770), wk = 0.0024213 k( 406) = ( 0.7065743 -0.8064907 -0.4868336), wk = 0.0024213 k( 407) = ( 0.7224647 -0.7999581 -0.4828903), wk = 0.0024213 k( 408) = ( 0.7383550 -0.7934255 -0.4789469), wk = 0.0024213 k( 409) = ( 0.7542453 -0.7868929 -0.4750035), wk = 0.0024213 k( 410) = ( 0.7701357 -0.7803603 -0.4710602), wk = 0.0024213 k( 411) = ( 0.7860260 -0.7738277 -0.4671168), wk = 0.0024213 k( 412) = ( 0.8019163 -0.7672951 -0.4631734), wk = 0.0024213 k( 413) = ( 0.8178067 -0.7607625 -0.4592301), wk = 0.0024213 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0078125 0.0000000 -0.0000000), wk = 0.0024213 k( 3) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0024213 k( 4) = ( 0.0234375 -0.0000000 0.0000000), wk = 0.0024213 k( 5) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0024213 k( 6) = ( 0.0390625 0.0000000 0.0000000), wk = 0.0024213 k( 7) = ( 0.0468750 -0.0000000 0.0000000), wk = 0.0024213 k( 8) = ( 0.0546875 -0.0000000 -0.0000000), wk = 0.0024213 k( 9) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0024213 k( 10) = ( 0.0703125 0.0000000 0.0000000), wk = 0.0024213 k( 11) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0024213 k( 12) = ( 0.0859375 -0.0000000 -0.0000000), wk = 0.0024213 k( 13) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0024213 k( 14) = ( 0.1015625 0.0000000 -0.0000000), wk = 0.0024213 k( 15) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0024213 k( 16) = ( 0.1171875 -0.0000000 -0.0000000), wk = 0.0024213 k( 17) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0024213 k( 18) = ( 0.1328125 -0.0000000 0.0000000), wk = 0.0024213 k( 19) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0024213 k( 20) = ( 0.1484375 0.0000000 0.0000000), wk = 0.0024213 k( 21) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0024213 k( 22) = ( 0.1640625 -0.0000000 -0.0000000), wk = 0.0024213 k( 23) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0024213 k( 24) = ( 0.1796875 -0.0000000 -0.0000000), wk = 0.0024213 k( 25) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0024213 k( 26) = ( 0.1953125 0.0000000 0.0000000), wk = 0.0024213 k( 27) = ( 0.2031250 0.0000000 -0.0000000), wk = 0.0024213 k( 28) = ( 0.2109375 -0.0000000 0.0000000), wk = 0.0024213 k( 29) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0024213 k( 30) = ( 0.2265625 -0.0000000 -0.0000000), wk = 0.0024213 k( 31) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0024213 k( 32) = ( 0.2421875 -0.0000000 -0.0000000), wk = 0.0024213 k( 33) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024213 k( 34) = ( 0.2578125 -0.0000000 -0.0000000), wk = 0.0024213 k( 35) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0024213 k( 36) = ( 0.2734375 -0.0000000 -0.0000000), wk = 0.0024213 k( 37) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0024213 k( 38) = ( 0.2890625 -0.0000000 -0.0000000), wk = 0.0024213 k( 39) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0024213 k( 40) = ( 0.3046875 -0.0000000 -0.0000000), wk = 0.0024213 k( 41) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0024213 k( 42) = ( 0.3203125 -0.0000000 -0.0000000), wk = 0.0024213 k( 43) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0024213 k( 44) = ( 0.3359375 0.0000000 0.0000000), wk = 0.0024213 k( 45) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0024213 k( 46) = ( 0.3515625 0.0000000 -0.0000000), wk = 0.0024213 k( 47) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0024213 k( 48) = ( 0.3671875 -0.0000000 0.0000000), wk = 0.0024213 k( 49) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0024213 k( 50) = ( 0.3828125 -0.0000000 -0.0000000), wk = 0.0024213 k( 51) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0024213 k( 52) = ( 0.3984375 -0.0000000 -0.0000000), wk = 0.0024213 k( 53) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0024213 k( 54) = ( 0.4140625 -0.0000000 -0.0000000), wk = 0.0024213 k( 55) = ( 0.4218750 -0.0000000 0.0000000), wk = 0.0024213 k( 56) = ( 0.4296875 -0.0000000 -0.0000000), wk = 0.0024213 k( 57) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0024213 k( 58) = ( 0.4453125 0.0000000 -0.0000000), wk = 0.0024213 k( 59) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0024213 k( 60) = ( 0.4609375 -0.0000000 0.0000000), wk = 0.0024213 k( 61) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0024213 k( 62) = ( 0.4765625 -0.0000000 -0.0000000), wk = 0.0024213 k( 63) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0024213 k( 64) = ( 0.4921875 -0.0000000 -0.0000000), wk = 0.0024213 k( 65) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024213 k( 66) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024213 k( 67) = ( 0.5000000 0.0045548 -0.0045548), wk = 0.0024213 k( 68) = ( 0.5000000 0.0091097 -0.0091097), wk = 0.0024213 k( 69) = ( 0.5000000 0.0136645 -0.0136645), wk = 0.0024213 k( 70) = ( 0.5000000 0.0182193 -0.0182193), wk = 0.0024213 k( 71) = ( 0.5000000 0.0227742 -0.0227742), wk = 0.0024213 k( 72) = ( 0.5000000 0.0273290 -0.0273290), wk = 0.0024213 k( 73) = ( 0.5000000 0.0318838 -0.0318838), wk = 0.0024213 k( 74) = ( 0.5000000 0.0364387 -0.0364387), wk = 0.0024213 k( 75) = ( 0.5000000 0.0409935 -0.0409935), wk = 0.0024213 k( 76) = ( 0.5000000 0.0455483 -0.0455483), wk = 0.0024213 k( 77) = ( 0.5000000 0.0501032 -0.0501032), wk = 0.0024213 k( 78) = ( 0.5000000 0.0546580 -0.0546580), wk = 0.0024213 k( 79) = ( 0.5000000 0.0592128 -0.0592128), wk = 0.0024213 k( 80) = ( 0.5000000 0.0637677 -0.0637677), wk = 0.0024213 k( 81) = ( 0.5000000 0.0683225 -0.0683225), wk = 0.0024213 k( 82) = ( 0.5000000 0.0728773 -0.0728773), wk = 0.0024213 k( 83) = ( 0.5000000 0.0774322 -0.0774322), wk = 0.0024213 k( 84) = ( 0.5000000 0.0819870 -0.0819870), wk = 0.0024213 k( 85) = ( 0.5000000 0.0865418 -0.0865418), wk = 0.0024213 k( 86) = ( 0.5000000 0.0910967 -0.0910967), wk = 0.0024213 k( 87) = ( 0.5000000 0.0956515 -0.0956515), wk = 0.0024213 k( 88) = ( 0.5000000 0.1002063 -0.1002063), wk = 0.0024213 k( 89) = ( 0.5000000 0.1047612 -0.1047612), wk = 0.0024213 k( 90) = ( 0.5000000 0.1093160 -0.1093160), wk = 0.0024213 k( 91) = ( 0.5000000 0.1138708 -0.1138708), wk = 0.0024213 k( 92) = ( 0.5000000 0.1184257 -0.1184257), wk = 0.0024213 k( 93) = ( 0.5000000 0.1229805 -0.1229805), wk = 0.0024213 k( 94) = ( 0.5000000 0.1275353 -0.1275353), wk = 0.0024213 k( 95) = ( 0.5000000 0.1320902 -0.1320902), wk = 0.0024213 k( 96) = ( 0.5000000 0.1366450 -0.1366450), wk = 0.0024213 k( 97) = ( 0.5000000 0.1411998 -0.1411998), wk = 0.0024213 k( 98) = ( 0.5000000 0.1457547 -0.1457547), wk = 0.0024213 k( 99) = ( 0.5000000 0.1503095 -0.1503095), wk = 0.0024213 k( 100) = ( 0.5000000 0.1548643 -0.1548643), wk = 0.0024213 k( 101) = ( 0.5000000 0.1594192 -0.1594192), wk = 0.0024213 k( 102) = ( 0.5000000 0.1639740 -0.1639740), wk = 0.0024213 k( 103) = ( 0.5000000 0.1685288 -0.1685288), wk = 0.0024213 k( 104) = ( 0.5000000 0.1730837 -0.1730837), wk = 0.0024213 k( 105) = ( 0.5000000 0.1776385 -0.1776385), wk = 0.0024213 k( 106) = ( 0.5000000 0.1821933 -0.1821933), wk = 0.0024213 k( 107) = ( 0.8178067 0.5000000 0.1821933), wk = 0.0024213 k( 108) = ( 0.8132666 0.5000000 0.1867334), wk = 0.0024213 k( 109) = ( 0.8087265 0.5000000 0.1912735), wk = 0.0024213 k( 110) = ( 0.8041864 0.5000000 0.1958136), wk = 0.0024213 k( 111) = ( 0.7996463 0.5000000 0.2003537), wk = 0.0024213 k( 112) = ( 0.7951062 0.5000000 0.2048938), wk = 0.0024213 k( 113) = ( 0.7905661 0.5000000 0.2094339), wk = 0.0024213 k( 114) = ( 0.7860260 0.5000000 0.2139740), wk = 0.0024213 k( 115) = ( 0.7814859 0.5000000 0.2185141), wk = 0.0024213 k( 116) = ( 0.7769458 0.5000000 0.2230542), wk = 0.0024213 k( 117) = ( 0.7724057 0.5000000 0.2275943), wk = 0.0024213 k( 118) = ( 0.7678656 0.5000000 0.2321344), wk = 0.0024213 k( 119) = ( 0.7633255 0.5000000 0.2366745), wk = 0.0024213 k( 120) = ( 0.7587854 0.5000000 0.2412146), wk = 0.0024213 k( 121) = ( 0.7542453 0.5000000 0.2457547), wk = 0.0024213 k( 122) = ( 0.7497052 0.5000000 0.2502948), wk = 0.0024213 k( 123) = ( 0.7451652 0.5000000 0.2548348), wk = 0.0024213 k( 124) = ( 0.7406251 0.5000000 0.2593749), wk = 0.0024213 k( 125) = ( 0.7360850 0.5000000 0.2639150), wk = 0.0024213 k( 126) = ( 0.7315449 0.5000000 0.2684551), wk = 0.0024213 k( 127) = ( 0.7270048 0.5000000 0.2729952), wk = 0.0024213 k( 128) = ( 0.7224647 0.5000000 0.2775353), wk = 0.0024213 k( 129) = ( 0.7179246 0.5000000 0.2820754), wk = 0.0024213 k( 130) = ( 0.7133845 0.5000000 0.2866155), wk = 0.0024213 k( 131) = ( 0.7088444 0.5000000 0.2911556), wk = 0.0024213 k( 132) = ( 0.7043043 0.5000000 0.2956957), wk = 0.0024213 k( 133) = ( 0.6997642 0.5000000 0.3002358), wk = 0.0024213 k( 134) = ( 0.6952241 0.5000000 0.3047759), wk = 0.0024213 k( 135) = ( 0.6906840 0.5000000 0.3093160), wk = 0.0024213 k( 136) = ( 0.6861439 0.5000000 0.3138561), wk = 0.0024213 k( 137) = ( 0.6816038 0.5000000 0.3183962), wk = 0.0024213 k( 138) = ( 0.6770637 0.5000000 0.3229363), wk = 0.0024213 k( 139) = ( 0.6725236 0.5000000 0.3274764), wk = 0.0024213 k( 140) = ( 0.6679835 0.5000000 0.3320165), wk = 0.0024213 k( 141) = ( 0.6634434 0.5000000 0.3365566), wk = 0.0024213 k( 142) = ( 0.6589033 0.5000000 0.3410967), wk = 0.0024213 k( 143) = ( 0.6543632 0.5000000 0.3456368), wk = 0.0024213 k( 144) = ( 0.6498232 0.5000000 0.3501768), wk = 0.0024213 k( 145) = ( 0.6452830 0.5000000 0.3547170), wk = 0.0024213 k( 146) = ( 0.6407430 0.5000000 0.3592570), wk = 0.0024213 k( 147) = ( 0.6362029 0.5000000 0.3637971), wk = 0.0024213 k( 148) = ( 0.6316628 0.5000000 0.3683372), wk = 0.0024213 k( 149) = ( 0.6271227 0.5000000 0.3728773), wk = 0.0024213 k( 150) = ( 0.6225826 0.5000000 0.3774174), wk = 0.0024213 k( 151) = ( 0.6180425 0.5000000 0.3819575), wk = 0.0024213 k( 152) = ( 0.6135024 0.5000000 0.3864976), wk = 0.0024213 k( 153) = ( 0.6089623 0.5000000 0.3910377), wk = 0.0024213 k( 154) = ( 0.6044222 0.5000000 0.3955778), wk = 0.0024213 k( 155) = ( 0.5998821 0.5000000 0.4001179), wk = 0.0024213 k( 156) = ( 0.5953420 0.5000000 0.4046580), wk = 0.0024213 k( 157) = ( 0.5908019 0.5000000 0.4091981), wk = 0.0024213 k( 158) = ( 0.5862618 0.5000000 0.4137382), wk = 0.0024213 k( 159) = ( 0.5817217 0.5000000 0.4182783), wk = 0.0024213 k( 160) = ( 0.5771816 0.5000000 0.4228184), wk = 0.0024213 k( 161) = ( 0.5726415 0.5000000 0.4273585), wk = 0.0024213 k( 162) = ( 0.5681014 0.5000000 0.4318986), wk = 0.0024213 k( 163) = ( 0.5635613 0.5000000 0.4364387), wk = 0.0024213 k( 164) = ( 0.5590212 0.5000000 0.4409788), wk = 0.0024213 k( 165) = ( 0.5544811 0.5000000 0.4455189), wk = 0.0024213 k( 166) = ( 0.5499411 0.5000000 0.4500590), wk = 0.0024213 k( 167) = ( 0.5454009 0.5000000 0.4545991), wk = 0.0024213 k( 168) = ( 0.5408609 0.5000000 0.4591391), wk = 0.0024213 k( 169) = ( 0.5363208 0.5000000 0.4636792), wk = 0.0024213 k( 170) = ( 0.5317807 0.5000000 0.4682193), wk = 0.0024213 k( 171) = ( 0.5272406 0.5000000 0.4727594), wk = 0.0024213 k( 172) = ( 0.5227005 0.5000000 0.4772995), wk = 0.0024213 k( 173) = ( 0.5181604 0.5000000 0.4818396), wk = 0.0024213 k( 174) = ( 0.5136203 0.5000000 0.4863797), wk = 0.0024213 k( 175) = ( 0.5090802 0.5000000 0.4909198), wk = 0.0024213 k( 176) = ( 0.5045401 0.5000000 0.4954599), wk = 0.0024213 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024213 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024213 k( 179) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0024213 k( 180) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0024213 k( 181) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0024213 k( 182) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0024213 k( 183) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0024213 k( 184) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0024213 k( 185) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0024213 k( 186) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0024213 k( 187) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0024213 k( 188) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0024213 k( 189) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0024213 k( 190) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0024213 k( 191) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0024213 k( 192) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0024213 k( 193) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0024213 k( 194) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0024213 k( 195) = ( 0.2068966 0.2068965 0.2068966), wk = 0.0024213 k( 196) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0024213 k( 197) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0024213 k( 198) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0024213 k( 199) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0024213 k( 200) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0024213 k( 201) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0024213 k( 202) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0024213 k( 203) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0024213 k( 204) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0024213 k( 205) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0024213 k( 206) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0024213 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 209) = ( 0.0045480 -0.0000000 -0.0045480), wk = 0.0024213 k( 210) = ( 0.0090959 0.0000000 -0.0090959), wk = 0.0024213 k( 211) = ( 0.0136439 -0.0000000 -0.0136439), wk = 0.0024213 k( 212) = ( 0.0181918 0.0000000 -0.0181918), wk = 0.0024213 k( 213) = ( 0.0227398 -0.0000000 -0.0227398), wk = 0.0024213 k( 214) = ( 0.0272877 -0.0000000 -0.0272877), wk = 0.0024213 k( 215) = ( 0.0318357 -0.0000000 -0.0318357), wk = 0.0024213 k( 216) = ( 0.0363836 0.0000000 -0.0363836), wk = 0.0024213 k( 217) = ( 0.0409316 -0.0000000 -0.0409316), wk = 0.0024213 k( 218) = ( 0.0454796 -0.0000000 -0.0454796), wk = 0.0024213 k( 219) = ( 0.0500275 -0.0000000 -0.0500275), wk = 0.0024213 k( 220) = ( 0.0545755 -0.0000000 -0.0545755), wk = 0.0024213 k( 221) = ( 0.0591234 -0.0000000 -0.0591234), wk = 0.0024213 k( 222) = ( 0.0636714 -0.0000000 -0.0636714), wk = 0.0024213 k( 223) = ( 0.0682193 -0.0000000 -0.0682193), wk = 0.0024213 k( 224) = ( 0.0727673 0.0000000 -0.0727673), wk = 0.0024213 k( 225) = ( 0.0773152 -0.0000000 -0.0773152), wk = 0.0024213 k( 226) = ( 0.0818632 -0.0000000 -0.0818632), wk = 0.0024213 k( 227) = ( 0.0864112 -0.0000000 -0.0864112), wk = 0.0024213 k( 228) = ( 0.0909591 -0.0000000 -0.0909591), wk = 0.0024213 k( 229) = ( 0.0955071 -0.0000000 -0.0955071), wk = 0.0024213 k( 230) = ( 0.1000550 -0.0000000 -0.1000550), wk = 0.0024213 k( 231) = ( 0.1046030 -0.0000000 -0.1046030), wk = 0.0024213 k( 232) = ( 0.1091509 -0.0000000 -0.1091509), wk = 0.0024213 k( 233) = ( 0.1136989 -0.0000000 -0.1136989), wk = 0.0024213 k( 234) = ( 0.1182468 -0.0000000 -0.1182468), wk = 0.0024213 k( 235) = ( 0.1227948 -0.0000000 -0.1227948), wk = 0.0024213 k( 236) = ( 0.1273428 -0.0000000 -0.1273428), wk = 0.0024213 k( 237) = ( 0.1318907 -0.0000000 -0.1318907), wk = 0.0024213 k( 238) = ( 0.1364387 -0.0000000 -0.1364387), wk = 0.0024213 k( 239) = ( 0.1409866 -0.0000000 -0.1409866), wk = 0.0024213 k( 240) = ( 0.1455346 0.0000000 -0.1455346), wk = 0.0024213 k( 241) = ( 0.1500825 0.0000000 -0.1500825), wk = 0.0024213 k( 242) = ( 0.1546305 -0.0000000 -0.1546305), wk = 0.0024213 k( 243) = ( 0.1591784 -0.0000000 -0.1591784), wk = 0.0024213 k( 244) = ( 0.1637264 -0.0000000 -0.1637264), wk = 0.0024213 k( 245) = ( 0.1682743 -0.0000000 -0.1682744), wk = 0.0024213 k( 246) = ( 0.1728223 -0.0000000 -0.1728223), wk = 0.0024213 k( 247) = ( 0.1773703 -0.0000000 -0.1773703), wk = 0.0024213 k( 248) = ( 0.1819182 -0.0000000 -0.1819182), wk = 0.0024213 k( 249) = ( 0.1864662 -0.0000000 -0.1864662), wk = 0.0024213 k( 250) = ( 0.1910141 -0.0000000 -0.1910141), wk = 0.0024213 k( 251) = ( 0.1955621 -0.0000000 -0.1955621), wk = 0.0024213 k( 252) = ( 0.2001100 -0.0000000 -0.2001100), wk = 0.0024213 k( 253) = ( 0.2046580 -0.0000000 -0.2046580), wk = 0.0024213 k( 254) = ( 0.2092060 -0.0000000 -0.2092060), wk = 0.0024213 k( 255) = ( 0.2137539 -0.0000000 -0.2137539), wk = 0.0024213 k( 256) = ( 0.2183019 -0.0000000 -0.2183019), wk = 0.0024213 k( 257) = ( 0.2228498 -0.0000000 -0.2228498), wk = 0.0024213 k( 258) = ( 0.2273978 -0.0000000 -0.2273978), wk = 0.0024213 k( 259) = ( 0.2319457 0.0000000 -0.2319457), wk = 0.0024213 k( 260) = ( 0.2364937 -0.0000000 -0.2364937), wk = 0.0024213 k( 261) = ( 0.2410416 -0.0000000 -0.2410416), wk = 0.0024213 k( 262) = ( 0.2455896 -0.0000000 -0.2455896), wk = 0.0024213 k( 263) = ( 0.2501375 -0.0000000 -0.2501376), wk = 0.0024213 k( 264) = ( 0.2546855 -0.0000000 -0.2546855), wk = 0.0024213 k( 265) = ( 0.2592335 -0.0000000 -0.2592335), wk = 0.0024213 k( 266) = ( 0.2637814 -0.0000000 -0.2637814), wk = 0.0024213 k( 267) = ( 0.2683294 -0.0000000 -0.2683294), wk = 0.0024213 k( 268) = ( 0.2728773 -0.0000000 -0.2728773), wk = 0.0024213 k( 269) = ( 0.2774253 -0.0000000 -0.2774253), wk = 0.0024213 k( 270) = ( 0.2819732 -0.0000000 -0.2819732), wk = 0.0024213 k( 271) = ( 0.2865212 -0.0000000 -0.2865212), wk = 0.0024213 k( 272) = ( 0.2910691 -0.0000000 -0.2910691), wk = 0.0024213 k( 273) = ( 0.2956171 -0.0000000 -0.2956171), wk = 0.0024213 k( 274) = ( 0.3001651 0.0000000 -0.3001651), wk = 0.0024213 k( 275) = ( 0.3047130 -0.0000000 -0.3047130), wk = 0.0024213 k( 276) = ( 0.3092610 0.0000000 -0.3092610), wk = 0.0024213 k( 277) = ( 0.3138089 -0.0000000 -0.3138089), wk = 0.0024213 k( 278) = ( 0.3183569 -0.0000000 -0.3183569), wk = 0.0024213 k( 279) = ( 0.3229048 -0.0000000 -0.3229048), wk = 0.0024213 k( 280) = ( 0.3274528 -0.0000000 -0.3274528), wk = 0.0024213 k( 281) = ( 0.3320008 -0.0000000 -0.3320007), wk = 0.0024213 k( 282) = ( 0.3365487 -0.0000000 -0.3365487), wk = 0.0024213 k( 283) = ( 0.3410967 -0.0000000 -0.3410967), wk = 0.0024213 k( 284) = ( 0.6589033 0.3410967 -0.0000000), wk = 0.0024213 k( 285) = ( 0.6543632 0.3456368 -0.0000000), wk = 0.0024213 k( 286) = ( 0.6498232 0.3501768 -0.0000000), wk = 0.0024213 k( 287) = ( 0.6452830 0.3547169 0.0000000), wk = 0.0024213 k( 288) = ( 0.6407430 0.3592570 -0.0000000), wk = 0.0024213 k( 289) = ( 0.6362029 0.3637971 -0.0000000), wk = 0.0024213 k( 290) = ( 0.6316628 0.3683372 -0.0000000), wk = 0.0024213 k( 291) = ( 0.6271227 0.3728773 -0.0000000), wk = 0.0024213 k( 292) = ( 0.6225826 0.3774174 0.0000000), wk = 0.0024213 k( 293) = ( 0.6180425 0.3819575 0.0000000), wk = 0.0024213 k( 294) = ( 0.6135024 0.3864976 -0.0000000), wk = 0.0024213 k( 295) = ( 0.6089623 0.3910377 -0.0000000), wk = 0.0024213 k( 296) = ( 0.6044222 0.3955778 0.0000000), wk = 0.0024213 k( 297) = ( 0.5998821 0.4001179 -0.0000000), wk = 0.0024213 k( 298) = ( 0.5953420 0.4046580 -0.0000000), wk = 0.0024213 k( 299) = ( 0.5908019 0.4091981 -0.0000000), wk = 0.0024213 k( 300) = ( 0.5862618 0.4137382 -0.0000000), wk = 0.0024213 k( 301) = ( 0.5817217 0.4182783 -0.0000000), wk = 0.0024213 k( 302) = ( 0.5771816 0.4228184 0.0000000), wk = 0.0024213 k( 303) = ( 0.5726415 0.4273585 0.0000000), wk = 0.0024213 k( 304) = ( 0.5681014 0.4318986 -0.0000000), wk = 0.0024213 k( 305) = ( 0.5635613 0.4364387 -0.0000000), wk = 0.0024213 k( 306) = ( 0.5590212 0.4409788 0.0000000), wk = 0.0024213 k( 307) = ( 0.5544811 0.4455189 -0.0000000), wk = 0.0024213 k( 308) = ( 0.5499411 0.4500589 -0.0000000), wk = 0.0024213 k( 309) = ( 0.5454009 0.4545990 0.0000000), wk = 0.0024213 k( 310) = ( 0.5408609 0.4591391 -0.0000000), wk = 0.0024213 k( 311) = ( 0.5363208 0.4636792 0.0000000), wk = 0.0024213 k( 312) = ( 0.5317807 0.4682193 0.0000000), wk = 0.0024213 k( 313) = ( 0.5272406 0.4727594 -0.0000000), wk = 0.0024213 k( 314) = ( 0.5227005 0.4772995 0.0000000), wk = 0.0024213 k( 315) = ( 0.5181604 0.4818396 0.0000000), wk = 0.0024213 k( 316) = ( 0.5136203 0.4863797 -0.0000000), wk = 0.0024213 k( 317) = ( 0.5090802 0.4909198 -0.0000000), wk = 0.0024213 k( 318) = ( 0.5045401 0.4954599 -0.0000000), wk = 0.0024213 k( 319) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024213 k( 320) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024213 k( 321) = ( 0.5144458 0.5144458 0.0165630), wk = 0.0024213 k( 322) = ( 0.5288915 0.5288915 0.0331261), wk = 0.0024213 k( 323) = ( 0.5433373 0.5433373 0.0496891), wk = 0.0024213 k( 324) = ( 0.5577830 0.5577830 0.0662521), wk = 0.0024213 k( 325) = ( 0.5722288 0.5722288 0.0828152), wk = 0.0024213 k( 326) = ( 0.5866746 0.5866745 0.0993782), wk = 0.0024213 k( 327) = ( 0.6011203 0.6011203 0.1159412), wk = 0.0024213 k( 328) = ( 0.6155661 0.6155661 0.1325042), wk = 0.0024213 k( 329) = ( 0.6300118 0.6300118 0.1490673), wk = 0.0024213 k( 330) = ( 0.6444576 0.6444576 0.1656303), wk = 0.0024213 k( 331) = ( 0.6589033 0.6589033 0.1821933), wk = 0.0024213 k( 332) = ( 0.6589033 0.6589033 0.1821933), wk = 0.0024213 k( 333) = ( 0.6562550 0.6562549 0.1874901), wk = 0.0024213 k( 334) = ( 0.6536066 0.6536066 0.1927869), wk = 0.0024213 k( 335) = ( 0.6509582 0.6509582 0.1980837), wk = 0.0024213 k( 336) = ( 0.6483098 0.6483098 0.2033804), wk = 0.0024213 k( 337) = ( 0.6456614 0.6456614 0.2086772), wk = 0.0024213 k( 338) = ( 0.6430130 0.6430130 0.2139740), wk = 0.0024213 k( 339) = ( 0.6403646 0.6403646 0.2192708), wk = 0.0024213 k( 340) = ( 0.6377162 0.6377162 0.2245675), wk = 0.0024213 k( 341) = ( 0.6350678 0.6350678 0.2298643), wk = 0.0024213 k( 342) = ( 0.6324194 0.6324194 0.2351611), wk = 0.0024213 k( 343) = ( 0.6297711 0.6297711 0.2404579), wk = 0.0024213 k( 344) = ( 0.6271227 0.6271227 0.2457547), wk = 0.0024213 k( 345) = ( 0.6244743 0.6244743 0.2510514), wk = 0.0024213 k( 346) = ( 0.6218259 0.6218259 0.2563482), wk = 0.0024213 k( 347) = ( 0.6191775 0.6191775 0.2616450), wk = 0.0024213 k( 348) = ( 0.6165291 0.6165291 0.2669418), wk = 0.0024213 k( 349) = ( 0.6138807 0.6138807 0.2722386), wk = 0.0024213 k( 350) = ( 0.6112323 0.6112323 0.2775353), wk = 0.0024213 k( 351) = ( 0.6085839 0.6085839 0.2828321), wk = 0.0024213 k( 352) = ( 0.6059356 0.6059356 0.2881289), wk = 0.0024213 k( 353) = ( 0.6032872 0.6032872 0.2934257), wk = 0.0024213 k( 354) = ( 0.6006388 0.6006388 0.2987224), wk = 0.0024213 k( 355) = ( 0.5979904 0.5979904 0.3040192), wk = 0.0024213 k( 356) = ( 0.5953420 0.5953420 0.3093160), wk = 0.0024213 k( 357) = ( 0.5926936 0.5926936 0.3146128), wk = 0.0024213 k( 358) = ( 0.5900452 0.5900452 0.3199095), wk = 0.0024213 k( 359) = ( 0.5873968 0.5873968 0.3252063), wk = 0.0024213 k( 360) = ( 0.5847484 0.5847484 0.3305031), wk = 0.0024213 k( 361) = ( 0.5821001 0.5821001 0.3357999), wk = 0.0024213 k( 362) = ( 0.5794517 0.5794517 0.3410967), wk = 0.0024213 k( 363) = ( 0.5768033 0.5768033 0.3463934), wk = 0.0024213 k( 364) = ( 0.5741549 0.5741549 0.3516902), wk = 0.0024213 k( 365) = ( 0.5715065 0.5715065 0.3569870), wk = 0.0024213 k( 366) = ( 0.5688581 0.5688581 0.3622838), wk = 0.0024213 k( 367) = ( 0.5662097 0.5662097 0.3675806), wk = 0.0024213 k( 368) = ( 0.5635613 0.5635613 0.3728773), wk = 0.0024213 k( 369) = ( 0.5609129 0.5609129 0.3781741), wk = 0.0024213 k( 370) = ( 0.5582646 0.5582646 0.3834709), wk = 0.0024213 k( 371) = ( 0.5556162 0.5556162 0.3887677), wk = 0.0024213 k( 372) = ( 0.5529678 0.5529678 0.3940644), wk = 0.0024213 k( 373) = ( 0.5503194 0.5503194 0.3993612), wk = 0.0024213 k( 374) = ( 0.5476710 0.5476710 0.4046580), wk = 0.0024213 k( 375) = ( 0.5450226 0.5450226 0.4099548), wk = 0.0024213 k( 376) = ( 0.5423742 0.5423742 0.4152516), wk = 0.0024213 k( 377) = ( 0.5397258 0.5397258 0.4205483), wk = 0.0024213 k( 378) = ( 0.5370774 0.5370774 0.4258451), wk = 0.0024213 k( 379) = ( 0.5344291 0.5344291 0.4311419), wk = 0.0024213 k( 380) = ( 0.5317807 0.5317807 0.4364387), wk = 0.0024213 k( 381) = ( 0.5291323 0.5291323 0.4417354), wk = 0.0024213 k( 382) = ( 0.5264839 0.5264839 0.4470322), wk = 0.0024213 k( 383) = ( 0.5238355 0.5238355 0.4523290), wk = 0.0024213 k( 384) = ( 0.5211871 0.5211871 0.4576258), wk = 0.0024213 k( 385) = ( 0.5185387 0.5185387 0.4629225), wk = 0.0024213 k( 386) = ( 0.5158903 0.5158903 0.4682193), wk = 0.0024213 k( 387) = ( 0.5132419 0.5132419 0.4735161), wk = 0.0024213 k( 388) = ( 0.5105936 0.5105936 0.4788129), wk = 0.0024213 k( 389) = ( 0.5079452 0.5079452 0.4841097), wk = 0.0024213 k( 390) = ( 0.5052968 0.5052968 0.4894064), wk = 0.0024213 k( 391) = ( 0.5026484 0.5026484 0.4947032), wk = 0.0024213 k( 392) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024213 k( 393) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024213 k( 394) = ( 0.5158903 0.0170548 0.0170548), wk = 0.0024213 k( 395) = ( 0.5317807 0.0341097 0.0341097), wk = 0.0024213 k( 396) = ( 0.5476710 0.0511645 0.0511645), wk = 0.0024213 k( 397) = ( 0.5635613 0.0682193 0.0682193), wk = 0.0024213 k( 398) = ( 0.5794517 0.0852742 0.0852742), wk = 0.0024213 k( 399) = ( 0.5953420 0.1023290 0.1023290), wk = 0.0024213 k( 400) = ( 0.6112323 0.1193838 0.1193838), wk = 0.0024213 k( 401) = ( 0.6271227 0.1364387 0.1364387), wk = 0.0024213 k( 402) = ( 0.6430130 0.1534935 0.1534935), wk = 0.0024213 k( 403) = ( 0.6589033 0.1705483 0.1705483), wk = 0.0024213 k( 404) = ( 0.6747937 0.1876032 0.1876032), wk = 0.0024213 k( 405) = ( 0.6906840 0.2046580 0.2046580), wk = 0.0024213 k( 406) = ( 0.7065743 0.2217128 0.2217128), wk = 0.0024213 k( 407) = ( 0.7224647 0.2387677 0.2387677), wk = 0.0024213 k( 408) = ( 0.7383550 0.2558225 0.2558225), wk = 0.0024213 k( 409) = ( 0.7542453 0.2728773 0.2728773), wk = 0.0024213 k( 410) = ( 0.7701357 0.2899322 0.2899322), wk = 0.0024213 k( 411) = ( 0.7860260 0.3069870 0.3069870), wk = 0.0024213 k( 412) = ( 0.8019163 0.3240418 0.3240418), wk = 0.0024213 k( 413) = ( 0.8178067 0.3410967 0.3410967), wk = 0.0024213 Dense grid: 32541 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 15043 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 112, 32) NL pseudopotentials 0.05 Mb ( 56, 62) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 905) G-vector shells 0.01 Mb ( 756) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 112, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./WN2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt 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Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.1 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.7 secs Computing kpt #: 35 total cpu time spent up to now is 11.9 secs Computing kpt #: 36 total cpu time spent up to now is 12.1 secs Computing kpt #: 37 total cpu time spent up to now is 12.4 secs Computing kpt #: 38 total cpu time spent up to now is 12.6 secs Computing kpt #: 39 total cpu time spent up to now is 12.8 secs Computing kpt #: 40 total cpu time spent up to now is 13.0 secs Computing kpt #: 41 total cpu time spent up to now is 13.2 secs Computing kpt #: 42 total cpu time spent up to now is 13.4 secs Computing kpt #: 43 total cpu time spent up to now is 13.6 secs Computing kpt #: 44 total cpu time spent up to now is 13.9 secs Computing kpt #: 45 total cpu time spent up to now is 14.1 secs Computing kpt #: 46 total cpu time spent up to now is 14.3 secs Computing kpt #: 47 total cpu time spent up to now is 14.5 secs Computing kpt #: 48 total cpu time spent up to now is 14.7 secs Computing kpt #: 49 total cpu time spent up to now is 14.9 secs Computing kpt #: 50 total cpu time spent up to now is 15.1 secs Computing kpt #: 51 total cpu time spent up to now is 15.4 secs Computing kpt #: 52 total cpu time spent up to now is 15.6 secs Computing kpt #: 53 total cpu time spent up to now is 15.8 secs Computing kpt #: 54 total cpu time spent up to now is 16.0 secs Computing kpt #: 55 total cpu time spent up to now is 16.2 secs Computing kpt #: 56 total cpu time spent up to now is 16.4 secs Computing kpt #: 57 total cpu time spent up to now is 16.7 secs Computing kpt #: 58 total cpu time spent up to now is 16.9 secs Computing kpt #: 59 total cpu time spent up to now is 17.1 secs Computing kpt #: 60 total cpu time spent up to now is 17.4 secs Computing kpt #: 61 total cpu time spent up to now is 17.6 secs Computing kpt #: 62 total cpu time spent up to now is 17.9 secs Computing kpt #: 63 total cpu time spent up to now is 18.1 secs Computing kpt #: 64 total cpu time spent up to now is 18.3 secs Computing kpt #: 65 total cpu time spent up to now is 18.5 secs Computing kpt #: 66 total cpu time spent up to now is 18.8 secs Computing kpt #: 67 total cpu time spent up to now is 19.0 secs Computing kpt #: 68 total cpu time spent up to now is 19.2 secs Computing kpt #: 69 total cpu time spent up to now is 19.4 secs Computing kpt #: 70 total cpu time spent up to now is 19.7 secs Computing kpt #: 71 total cpu time spent up to now is 19.9 secs Computing kpt #: 72 total cpu time spent up to now is 20.2 secs Computing kpt #: 73 total cpu time spent up to now is 20.5 secs Computing kpt #: 74 total cpu time spent up to now is 20.8 secs Computing kpt #: 75 total cpu time spent up to now is 21.1 secs Computing kpt #: 76 total cpu time spent up to now is 21.3 secs Computing kpt #: 77 total cpu time spent up to now is 21.5 secs Computing kpt #: 78 total cpu time spent up to now is 21.8 secs Computing kpt #: 79 total cpu time spent up to now is 22.0 secs Computing kpt #: 80 total cpu time spent up to now is 22.2 secs Computing kpt #: 81 total cpu time spent up to now is 22.5 secs Computing kpt #: 82 total cpu time spent up to now is 22.7 secs Computing kpt #: 83 total cpu time spent up to now is 22.9 secs Computing kpt #: 84 total cpu time spent up to now is 23.1 secs Computing kpt #: 85 total cpu time spent up to now is 23.3 secs Computing kpt #: 86 total cpu time spent up to now is 23.6 secs Computing kpt #: 87 total cpu time spent up to now is 23.8 secs Computing kpt #: 88 total cpu time spent up to now is 24.0 secs Computing kpt #: 89 total cpu time spent up to now is 24.2 secs Computing kpt #: 90 total cpu time spent up to now is 24.4 secs Computing kpt #: 91 total cpu time spent up to now is 24.6 secs Computing kpt #: 92 total cpu 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secs Computing kpt #: 108 total cpu time spent up to now is 28.1 secs Computing kpt #: 109 total cpu time spent up to now is 28.3 secs Computing kpt #: 110 total cpu time spent up to now is 28.5 secs Computing kpt #: 111 total cpu time spent up to now is 28.7 secs Computing kpt #: 112 total cpu time spent up to now is 28.9 secs Computing kpt #: 113 total cpu time spent up to now is 29.2 secs Computing kpt #: 114 total cpu time spent up to now is 29.4 secs Computing kpt #: 115 total cpu time spent up to now is 29.7 secs Computing kpt #: 116 total cpu time spent up to now is 30.0 secs Computing kpt #: 117 total cpu time spent up to now is 30.3 secs Computing kpt #: 118 total cpu time spent up to now is 30.7 secs Computing kpt #: 119 total cpu time spent up to now is 31.0 secs Computing kpt #: 120 total cpu time spent up to now is 31.2 secs Computing kpt #: 121 total cpu time spent up to now is 31.4 secs Computing kpt #: 122 total cpu time spent up to now is 31.6 secs Computing kpt #: 123 total cpu time spent up to now is 31.8 secs Computing kpt #: 124 total cpu time spent up to now is 32.1 secs Computing kpt #: 125 total cpu time spent up to now is 32.3 secs Computing kpt #: 126 total cpu time spent up to now is 32.5 secs Computing kpt #: 127 total cpu time spent up to now is 32.7 secs Computing kpt #: 128 total cpu time spent up to now is 32.9 secs Computing kpt #: 129 total cpu time spent up to now is 33.2 secs Computing kpt #: 130 total cpu time spent up to now is 33.4 secs Computing kpt #: 131 total cpu time spent up to now is 33.6 secs Computing kpt #: 132 total cpu time spent up to now is 33.8 secs Computing kpt #: 133 total cpu time spent up to now is 34.1 secs Computing kpt #: 134 total cpu time spent up to now is 34.3 secs Computing kpt #: 135 total cpu time spent up to now is 34.6 secs Computing kpt #: 136 total cpu time spent up to now is 34.9 secs Computing kpt #: 137 total cpu time spent up to now is 35.1 secs Computing kpt #: 138 total cpu time spent up to now is 35.4 secs Computing kpt #: 139 total cpu time spent up to now is 35.7 secs Computing kpt #: 140 total cpu time spent up to now is 35.9 secs Computing kpt #: 141 total cpu time spent up to now is 36.2 secs Computing kpt #: 142 total cpu time spent up to now is 36.4 secs Computing kpt #: 143 total cpu time spent up to now is 36.7 secs Computing kpt #: 144 total cpu time spent up to now is 36.9 secs Computing kpt #: 145 total cpu time spent up to now is 37.2 secs Computing kpt #: 146 total cpu time spent up to now is 37.4 secs Computing kpt #: 147 total cpu time spent up to now is 37.7 secs Computing kpt #: 148 total cpu time spent up to now is 37.9 secs Computing kpt #: 149 total cpu time spent up to now is 38.2 secs Computing kpt #: 150 total cpu time spent up to now is 38.4 secs Computing kpt #: 151 total cpu time spent up to now is 38.7 secs Computing kpt #: 152 total cpu time spent up to now is 38.9 secs Computing kpt #: 153 total cpu time spent up to now is 39.2 secs Computing kpt #: 154 total cpu time spent up to now is 39.5 secs Computing kpt #: 155 total cpu time spent up to now is 39.7 secs Computing kpt #: 156 total cpu time spent up to now is 40.0 secs Computing kpt #: 157 total cpu time spent up to now is 40.2 secs Computing kpt #: 158 total cpu time spent up to now is 40.5 secs Computing kpt #: 159 total cpu time spent up to now is 40.8 secs Computing kpt #: 160 total cpu time spent up to now is 41.0 secs Computing kpt #: 161 total cpu time spent up to now is 41.3 secs Computing kpt #: 162 total cpu time spent up to now is 41.6 secs Computing kpt #: 163 total cpu time spent up to now is 41.8 secs Computing kpt #: 164 total cpu time spent up to now is 42.1 secs Computing kpt #: 165 total cpu time spent up to now is 42.4 secs Computing kpt #: 166 total cpu time spent up to now is 42.6 secs Computing kpt #: 167 total cpu time spent up to now is 42.9 secs Computing kpt #: 168 total cpu time spent up to now is 43.2 secs Computing kpt #: 169 total cpu time spent up to now is 43.4 secs Computing kpt #: 170 total cpu time spent up to now is 43.7 secs Computing kpt #: 171 total cpu time spent up to now is 44.0 secs Computing kpt #: 172 total cpu time spent up to now is 44.3 secs Computing kpt #: 173 total cpu time spent up to now is 44.5 secs Computing kpt #: 174 total cpu time spent up to now is 44.8 secs Computing kpt #: 175 total cpu time spent up to now is 45.1 secs Computing kpt #: 176 total cpu time spent up to now is 45.4 secs Computing kpt #: 177 total cpu time spent up to now is 45.6 secs Computing kpt #: 178 total cpu time spent up to now is 45.9 secs Computing kpt #: 179 total cpu time spent up to now is 46.2 secs Computing kpt #: 180 total cpu time spent up to now is 46.5 secs Computing kpt #: 181 total cpu time spent up to now is 46.8 secs Computing kpt #: 182 total cpu time spent up to now is 47.0 secs Computing kpt #: 183 total cpu time spent up to now is 47.3 secs Computing kpt #: 184 total cpu time spent up to now is 47.6 secs Computing kpt #: 185 total cpu time spent up to now is 47.9 secs Computing kpt #: 186 total cpu time spent up to now is 48.2 secs Computing kpt #: 187 total cpu time spent up to now is 48.5 secs Computing kpt #: 188 total cpu time spent up to now is 48.7 secs Computing kpt #: 189 total cpu time spent up to now is 49.0 secs Computing kpt #: 190 total cpu time spent up to now is 49.3 secs Computing kpt #: 191 total cpu time spent up to now is 49.6 secs Computing kpt #: 192 total cpu time spent up to now is 49.9 secs Computing kpt #: 193 total cpu time spent up to now is 50.2 secs Computing kpt #: 194 total cpu time spent up to now is 50.5 secs Computing kpt #: 195 total cpu time spent up to now is 50.7 secs Computing kpt #: 196 total cpu time spent up to now is 51.0 secs Computing kpt #: 197 total cpu time spent up to now is 51.3 secs Computing kpt #: 198 total cpu time spent up to now is 51.6 secs Computing kpt #: 199 total cpu time spent up to now is 51.9 secs Computing kpt #: 200 total cpu time spent up to now is 52.2 secs Computing kpt #: 201 total cpu time spent up to now is 52.5 secs Computing kpt #: 202 total cpu time spent up to now is 52.8 secs Computing kpt #: 203 total cpu time spent up to now is 53.1 secs Computing kpt #: 204 total cpu time spent up to now is 53.4 secs Computing kpt #: 205 total cpu time spent up to now is 53.7 secs Computing kpt #: 206 total cpu time spent up to now is 54.0 secs Computing kpt #: 207 total cpu time spent up to now is 54.3 secs Computing kpt #: 208 total cpu time spent up to now is 54.6 secs Computing kpt #: 209 total cpu time spent up to now is 54.8 secs Computing kpt #: 210 total cpu time spent up to now is 55.1 secs Computing kpt #: 211 total cpu time spent up to now is 55.4 secs Computing kpt #: 212 total cpu time spent up to now is 55.7 secs Computing kpt #: 213 total cpu time spent up to now is 56.0 secs Computing kpt #: 214 total cpu time spent up to now is 56.3 secs Computing kpt #: 215 total cpu time spent up to now is 56.6 secs Computing kpt #: 216 total cpu time spent up to now is 56.8 secs Computing kpt #: 217 total cpu time spent up to now is 57.1 secs Computing kpt #: 218 total cpu time spent up to now is 57.4 secs Computing kpt #: 219 total cpu time spent up to now is 57.7 secs Computing kpt #: 220 total cpu time spent up to now is 57.9 secs Computing kpt #: 221 total cpu time spent up to now is 58.2 secs Computing kpt #: 222 total cpu time spent up to now is 58.4 secs Computing kpt #: 223 total cpu time spent up to now is 58.7 secs Computing kpt #: 224 total cpu time spent up to now is 59.0 secs Computing kpt #: 225 total cpu time spent up to now is 59.2 secs Computing kpt #: 226 total cpu time spent up to now is 59.5 secs Computing kpt #: 227 total cpu time spent up to now is 59.7 secs Computing kpt #: 228 total cpu time spent up to now is 60.0 secs Computing kpt #: 229 total cpu time spent up to now is 60.2 secs Computing kpt #: 230 total cpu time spent up to now is 60.5 secs Computing kpt #: 231 total cpu time spent up to now is 60.7 secs Computing kpt #: 232 total cpu time spent up to now is 61.0 secs Computing kpt #: 233 total cpu time spent up to now is 61.2 secs Computing kpt #: 234 total cpu time spent up to now is 61.5 secs Computing kpt #: 235 total cpu time spent up to now is 61.7 secs Computing kpt #: 236 total cpu time spent up to now is 61.9 secs Computing kpt #: 237 total cpu time spent up to now is 62.2 secs Computing kpt #: 238 total cpu time spent up to now is 62.4 secs Computing kpt #: 239 total cpu time spent up to now is 62.6 secs Computing kpt #: 240 total cpu time spent up to now is 62.9 secs Computing kpt #: 241 total cpu time spent up to now is 63.1 secs Computing kpt #: 242 total cpu time spent up to now is 63.3 secs Computing kpt #: 243 total cpu time spent up to now is 63.6 secs Computing kpt #: 244 total cpu time spent up to now is 63.8 secs Computing kpt #: 245 total cpu time spent up to now is 64.1 secs Computing kpt #: 246 total cpu time spent up to now is 64.4 secs Computing kpt #: 247 total cpu time spent up to now is 64.6 secs Computing kpt #: 248 total cpu time spent up to now is 64.9 secs Computing kpt #: 249 total cpu time spent up to now is 65.2 secs Computing kpt #: 250 total cpu time spent up to now is 65.4 secs Computing kpt #: 251 total cpu time spent up to now is 65.7 secs Computing kpt #: 252 total cpu time spent up to now is 65.9 secs Computing kpt #: 253 total cpu time spent up to now is 66.2 secs Computing kpt #: 254 total cpu time spent up to now is 66.4 secs Computing kpt #: 255 total cpu time spent up to now is 66.6 secs Computing kpt #: 256 total cpu time spent up to now is 66.9 secs Computing kpt #: 257 total cpu time spent up to now is 67.1 secs Computing kpt #: 258 total cpu time spent up to now is 67.3 secs Computing kpt #: 259 total cpu time spent up to now is 67.5 secs Computing kpt #: 260 total cpu time spent up to now is 67.7 secs Computing kpt #: 261 total cpu time spent up to now is 67.9 secs Computing kpt #: 262 total cpu time spent up to now is 68.1 secs Computing kpt #: 263 total cpu time spent up to now is 68.3 secs Computing kpt #: 264 total cpu time spent up to now is 68.6 secs Computing kpt #: 265 total cpu time spent up to now is 68.8 secs Computing kpt #: 266 total cpu time spent up to now is 69.0 secs Computing kpt #: 267 total cpu time spent up to now is 69.2 secs Computing kpt #: 268 total cpu time spent up to now is 69.4 secs Computing kpt #: 269 total cpu time spent up to now is 69.6 secs Computing kpt #: 270 total cpu time spent up to now is 69.8 secs Computing kpt #: 271 total cpu time spent up to now is 70.0 secs Computing kpt #: 272 total cpu time spent up to now is 70.2 secs Computing kpt #: 273 total cpu time spent up to now is 70.4 secs Computing kpt #: 274 total cpu time spent up to now is 70.6 secs Computing kpt #: 275 total cpu time spent up to now is 70.8 secs Computing kpt #: 276 total cpu time spent up to now is 71.0 secs Computing kpt #: 277 total cpu time spent up to now is 71.2 secs Computing kpt #: 278 total cpu time spent up to now is 71.4 secs Computing kpt #: 279 total cpu time spent up to now is 71.6 secs Computing kpt #: 280 total cpu time spent up to now is 71.8 secs Computing kpt #: 281 total cpu time spent up to now is 72.0 secs Computing kpt #: 282 total cpu time spent up to now is 72.2 secs Computing kpt #: 283 total cpu time spent up to now is 72.4 secs Computing kpt #: 284 total cpu time spent up to now is 72.6 secs Computing kpt #: 285 total cpu time spent up to now is 72.8 secs Computing kpt #: 286 total cpu time spent up to now is 73.0 secs Computing kpt #: 287 total cpu time spent up to now is 73.2 secs Computing kpt #: 288 total cpu time spent up to now is 73.4 secs Computing kpt #: 289 total cpu time spent up to now is 73.7 secs Computing kpt #: 290 total cpu time spent up to now is 73.9 secs Computing kpt #: 291 total cpu time spent up to now is 74.1 secs Computing kpt #: 292 total cpu time spent up to now is 74.3 secs Computing kpt #: 293 total cpu time spent up to now is 74.5 secs Computing kpt #: 294 total cpu time spent up to now is 74.7 secs Computing kpt #: 295 total cpu time spent up to now is 74.9 secs Computing kpt #: 296 total cpu time spent up to now is 75.2 secs Computing kpt #: 297 total cpu time spent up to now is 75.4 secs Computing kpt #: 298 total cpu time spent up to now is 75.6 secs Computing kpt #: 299 total cpu time spent up to now is 75.8 secs Computing kpt #: 300 total cpu time spent up to now is 76.1 secs Computing kpt #: 301 total cpu time spent up to now is 76.3 secs Computing kpt #: 302 total cpu time spent up to now is 76.5 secs Computing kpt #: 303 total cpu time spent up to now is 76.7 secs Computing kpt #: 304 total cpu time spent up to now is 77.0 secs Computing kpt #: 305 total cpu time spent up to now is 77.2 secs Computing kpt #: 306 total cpu time spent up to now is 77.5 secs Computing kpt #: 307 total cpu time spent up to now is 77.7 secs Computing kpt #: 308 total cpu time spent up to now is 78.5 secs Computing kpt #: 309 total cpu time spent up to now is 78.8 secs Computing kpt #: 310 total cpu time spent up to now is 79.1 secs Computing kpt #: 311 total cpu time spent up to now is 79.4 secs Computing kpt #: 312 total cpu time spent up to now is 79.7 secs Computing kpt #: 313 total cpu time spent up to now is 79.9 secs Computing kpt #: 314 total cpu time spent up to now is 80.2 secs Computing kpt #: 315 total cpu time spent up to now is 80.4 secs Computing kpt #: 316 total cpu time spent up to now is 80.7 secs Computing kpt #: 317 total cpu time spent up to now is 80.9 secs Computing kpt #: 318 total cpu time spent up to now is 81.1 secs Computing kpt #: 319 total cpu time spent up to now is 81.3 secs Computing kpt #: 320 total cpu time spent up to now is 81.5 secs Computing kpt #: 321 total cpu time spent up to now is 81.8 secs Computing kpt #: 322 total cpu time spent up to now is 82.0 secs Computing kpt #: 323 total cpu time spent up to now is 82.2 secs Computing kpt #: 324 total cpu time spent up to now is 82.4 secs Computing kpt #: 325 total cpu time spent up to now is 82.7 secs Computing kpt #: 326 total cpu time spent up to now is 82.9 secs Computing kpt #: 327 total cpu time spent up to now is 83.1 secs Computing kpt #: 328 total cpu time spent up to now is 83.4 secs Computing kpt #: 329 total cpu time spent up to now is 83.6 secs Computing kpt #: 330 total cpu time spent up to now is 83.8 secs Computing kpt #: 331 total cpu time spent up to now is 84.1 secs Computing kpt #: 332 total cpu time spent up to now is 84.3 secs Computing kpt #: 333 total cpu time spent up to now is 84.5 secs Computing kpt #: 334 total cpu time spent up to now is 84.7 secs Computing kpt #: 335 total cpu time spent up to now is 85.0 secs Computing kpt #: 336 total cpu time spent up to now is 85.2 secs Computing kpt #: 337 total cpu time spent up to now is 85.4 secs Computing kpt #: 338 total cpu time spent up to now is 85.6 secs Computing kpt #: 339 total cpu time spent up to now is 85.9 secs Computing kpt #: 340 total cpu time spent up to now is 86.1 secs Computing kpt #: 341 total cpu time spent up to now is 86.3 secs Computing kpt #: 342 total cpu time spent up to now is 86.5 secs Computing kpt #: 343 total cpu time spent up to now is 86.7 secs Computing kpt #: 344 total cpu time spent up to now is 87.0 secs Computing kpt #: 345 total cpu time spent up to now is 87.2 secs Computing kpt #: 346 total cpu time spent up to now is 87.4 secs Computing kpt #: 347 total cpu time spent up to now is 87.6 secs Computing kpt #: 348 total cpu time spent up to now is 87.8 secs Computing kpt #: 349 total cpu time spent up to now is 88.0 secs Computing kpt #: 350 total cpu time spent up to now is 88.2 secs Computing kpt #: 351 total cpu time spent up to now is 88.5 secs Computing kpt #: 352 total cpu time spent up to now is 88.7 secs Computing kpt #: 353 total cpu time spent up to now is 88.9 secs Computing kpt #: 354 total cpu time spent up to now is 89.1 secs Computing kpt #: 355 total cpu time spent up to now is 89.3 secs Computing kpt #: 356 total cpu time spent up to now is 89.5 secs Computing kpt #: 357 total cpu time spent up to now is 89.8 secs Computing kpt #: 358 total cpu time spent up to now is 90.0 secs Computing kpt #: 359 total cpu time spent up to now is 90.2 secs Computing kpt #: 360 total cpu time spent up to now is 90.4 secs Computing kpt #: 361 total cpu time spent up to now is 90.7 secs Computing kpt #: 362 total cpu time spent up to now is 90.9 secs Computing kpt #: 363 total cpu time spent up to now is 91.2 secs Computing kpt #: 364 total cpu time spent up to now is 91.4 secs Computing kpt #: 365 total cpu time spent up to now is 91.7 secs Computing kpt #: 366 total cpu time spent up to now is 91.9 secs Computing kpt #: 367 total cpu time spent up to now is 92.2 secs Computing kpt #: 368 total cpu time spent up to now is 92.4 secs Computing kpt #: 369 total cpu time spent up to now is 92.7 secs Computing kpt #: 370 total cpu time spent up to now is 93.0 secs Computing kpt #: 371 total cpu time spent up to now is 93.3 secs Computing kpt #: 372 total cpu time spent up to now is 93.6 secs Computing kpt #: 373 total cpu time spent up to now is 93.8 secs Computing kpt #: 374 total cpu time spent up to now is 94.1 secs Computing kpt #: 375 total cpu time spent up to now is 94.4 secs Computing kpt #: 376 total cpu time spent up to now is 94.6 secs Computing kpt #: 377 total cpu time spent up to now is 94.9 secs Computing kpt #: 378 total cpu time spent up to now is 95.2 secs Computing kpt #: 379 total cpu time spent up to now is 95.4 secs Computing kpt #: 380 total cpu time spent up to now is 95.7 secs Computing kpt #: 381 total cpu time spent up to now is 96.0 secs Computing kpt #: 382 total cpu time spent up to now is 96.2 secs Computing kpt #: 383 total cpu time spent up to now is 96.5 secs Computing kpt #: 384 total cpu time spent up to now is 96.8 secs Computing kpt #: 385 total cpu time spent up to now is 97.1 secs Computing kpt #: 386 total cpu time spent up to now is 97.3 secs Computing kpt #: 387 total cpu time spent up to now is 97.6 secs Computing kpt #: 388 total cpu time spent up to now is 97.9 secs Computing kpt #: 389 total cpu time spent up to now is 98.2 secs Computing kpt #: 390 total cpu time spent up to now is 98.4 secs Computing kpt #: 391 total cpu time spent up to now is 98.7 secs Computing kpt #: 392 total cpu time spent up to now is 99.0 secs Computing kpt #: 393 total cpu time spent up to now is 99.2 secs Computing kpt #: 394 total cpu time spent up to now is 99.4 secs Computing kpt #: 395 total cpu time spent up to now is 99.7 secs Computing kpt #: 396 total cpu time spent up to now is 99.9 secs Computing kpt #: 397 total cpu time spent up to now is 100.1 secs Computing kpt #: 398 total cpu time spent up to now is 100.3 secs Computing kpt #: 399 total cpu time spent up to now is 100.5 secs Computing kpt #: 400 total cpu time spent up to now is 100.8 secs Computing kpt #: 401 total cpu time spent up to now is 101.0 secs Computing kpt #: 402 total cpu time spent up to now is 101.2 secs Computing kpt #: 403 total cpu time spent up to now is 101.4 secs Computing kpt #: 404 total cpu time spent up to now is 101.7 secs Computing kpt #: 405 total cpu time spent up to now is 101.9 secs Computing kpt #: 406 total cpu time spent up to now is 102.1 secs Computing kpt #: 407 total cpu time spent up to now is 102.4 secs Computing kpt #: 408 total cpu time spent up to now is 102.6 secs Computing kpt #: 409 total cpu time spent up to now is 102.9 secs Computing kpt #: 410 total cpu time spent up to now is 103.1 secs Computing kpt #: 411 total cpu time spent up to now is 103.3 secs Computing kpt #: 412 total cpu time spent up to now is 103.6 secs Computing kpt #: 413 total cpu time spent up to now is 103.8 secs ethr = 4.17E-08, avg # of iterations = 13.3 total cpu time spent up to now is 103.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0077 -24.0077 -23.3972 -23.3972 -8.3936 -8.3936 3.6329 3.6329 5.5028 5.5028 6.5451 6.5451 6.5588 6.5588 7.3591 7.3591 10.8154 10.8154 11.2377 11.2377 11.9078 11.9078 13.6934 13.6934 14.0614 14.0614 14.0775 14.0775 k = 0.0078-0.0139-0.0084 ( 1921 PWs) bands (ev): -62.4441 -62.4441 -33.6652 -33.6652 -24.0078 -24.0078 -23.3975 -23.3975 -8.3926 -8.3926 3.6315 3.6315 5.5053 5.5053 6.5255 6.5255 6.5523 6.5523 7.3846 7.3846 10.8162 10.8162 11.2376 11.2376 11.9078 11.9078 13.6891 13.6891 14.0617 14.0617 14.0751 14.0751 k = 0.0156-0.0279-0.0168 ( 1919 PWs) bands (ev): -62.4440 -62.4440 -33.6655 -33.6655 -24.0080 -24.0080 -23.3986 -23.3986 -8.3895 -8.3895 3.6273 3.6273 5.5129 5.5129 6.4607 6.4607 6.5465 6.5465 7.4535 7.4535 10.8188 10.8188 11.2374 11.2374 11.9077 11.9077 13.6764 13.6764 14.0554 14.0554 14.0777 14.0777 k = 0.0234-0.0418-0.0252 ( 1919 PWs) bands (ev): -62.4439 -62.4439 -33.6659 -33.6659 -24.0084 -24.0084 -23.4004 -23.4004 -8.3843 -8.3843 3.6202 3.6202 5.5255 5.5255 6.3683 6.3683 6.5389 6.5389 7.5506 7.5506 10.8232 10.8232 11.2367 11.2367 11.9078 11.9078 13.6562 13.6562 14.0396 14.0396 14.0888 14.0888 k = 0.0312-0.0557-0.0336 ( 1921 PWs) bands (ev): -62.4436 -62.4436 -33.6666 -33.6666 -24.0089 -24.0089 -23.4029 -23.4029 -8.3772 -8.3772 3.6099 3.6099 5.5430 5.5430 6.2615 6.2615 6.5285 6.5285 7.6642 7.6642 10.8293 10.8293 11.2354 11.2354 11.9085 11.9085 13.6295 13.6295 14.0165 14.0165 14.1051 14.1051 k = 0.0391-0.0696-0.0420 ( 1919 PWs) bands (ev): -62.4433 -62.4433 -33.6674 -33.6674 -24.0096 -24.0096 -23.4060 -23.4060 -8.3680 -8.3680 3.5960 3.5960 5.5652 5.5652 6.1480 6.1480 6.5154 6.5154 7.7872 7.7872 10.8370 10.8370 11.2330 11.2330 11.9103 11.9103 13.5971 13.5971 13.9860 13.9860 14.1254 14.1254 k = 0.0469-0.0836-0.0504 ( 1917 PWs) bands (ev): -62.4429 -62.4429 -33.6684 -33.6684 -24.0104 -24.0104 -23.4099 -23.4099 -8.3567 -8.3567 3.5783 3.5783 5.5919 5.5919 6.0325 6.0325 6.4995 6.4995 7.9153 7.9153 10.8464 10.8464 11.2290 11.2290 11.9139 11.9139 13.5598 13.5598 13.9478 13.9478 14.1485 14.1485 k = 0.0547-0.0975-0.0589 ( 1915 PWs) bands (ev): -62.4425 -62.4425 -33.6695 -33.6695 -24.0114 -24.0114 -23.4144 -23.4144 -8.3434 -8.3434 3.5560 3.5560 5.6219 5.6219 5.9191 5.9191 6.4810 6.4810 8.0460 8.0460 10.8575 10.8575 11.2228 11.2228 11.9199 11.9199 13.5179 13.5179 13.9022 13.9022 14.1727 14.1727 k = 0.0625-0.1114-0.0673 ( 1913 PWs) bands (ev): -62.4420 -62.4420 -33.6708 -33.6708 -24.0125 -24.0125 -23.4195 -23.4195 -8.3280 -8.3280 3.5286 3.5286 5.6511 5.6511 5.8139 5.8139 6.4599 6.4599 8.1778 8.1778 10.8701 10.8701 11.2140 11.2140 11.9291 11.9291 13.4717 13.4717 13.8499 13.8499 14.1945 14.1945 k = 0.0703-0.1254-0.0757 ( 1909 PWs) bands (ev): -62.4414 -62.4414 -33.6723 -33.6723 -24.0138 -24.0138 -23.4253 -23.4253 -8.3107 -8.3107 3.4953 3.4953 5.6475 5.6475 5.7506 5.7506 6.4364 6.4364 8.3095 8.3095 10.8842 10.8842 11.2022 11.2022 11.9422 11.9422 13.4212 13.4212 13.7921 13.7921 14.2097 14.2097 k = 0.0781-0.1393-0.0841 ( 1909 PWs) bands (ev): -62.4408 -62.4408 -33.6740 -33.6740 -24.0152 -24.0152 -23.4317 -23.4317 -8.2912 -8.2912 3.4555 3.4555 5.5700 5.5700 5.7715 5.7715 6.4106 6.4106 8.4404 8.4404 10.8997 10.8997 11.1869 11.1869 11.9598 11.9598 13.3664 13.3664 13.7304 13.7304 14.2137 14.2137 k = 0.0859-0.1532-0.0925 ( 1910 PWs) bands (ev): -62.4401 -62.4401 -33.6758 -33.6758 -24.0168 -24.0168 -23.4387 -23.4387 -8.2698 -8.2698 3.4082 3.4082 5.4791 5.4791 5.8174 5.8174 6.3825 6.3825 8.5696 8.5696 10.9163 10.9163 11.1684 11.1684 11.9821 11.9821 13.3071 13.3071 13.6662 13.6662 14.2072 14.2072 k = 0.0938-0.1671-0.1009 ( 1902 PWs) bands (ev): -62.4393 -62.4393 -33.6778 -33.6778 -24.0186 -24.0186 -23.4462 -23.4462 -8.2464 -8.2464 3.3530 3.3530 5.3929 5.3929 5.8711 5.8711 6.3525 6.3525 8.6968 8.6968 10.9337 10.9337 11.1467 11.1467 12.0096 12.0096 13.2431 13.2431 13.6012 13.6012 14.1951 14.1951 k = 0.1016-0.1811-0.1093 ( 1900 PWs) bands (ev): -62.4385 -62.4385 -33.6799 -33.6799 -24.0205 -24.0205 -23.4543 -23.4543 -8.2209 -8.2209 3.2890 3.2890 5.3145 5.3145 5.9302 5.9302 6.3205 6.3205 8.8213 8.8213 10.9513 10.9513 11.1227 11.1227 12.0422 12.0422 13.1745 13.1745 13.5365 13.5365 14.1802 14.1802 k = 0.1094-0.1950-0.1177 ( 1904 PWs) bands (ev): -62.4377 -62.4377 -33.6822 -33.6822 -24.0226 -24.0226 -23.4629 -23.4629 -8.1935 -8.1935 3.2162 3.2162 5.2453 5.2453 5.9937 5.9937 6.2867 6.2867 8.9427 8.9427 10.9672 10.9672 11.0984 11.0984 12.0800 12.0800 13.1015 13.1015 13.4729 13.4729 14.1639 14.1639 k = 0.1172-0.2089-0.1261 ( 1906 PWs) bands (ev): -62.4368 -62.4368 -33.6847 -33.6847 -24.0249 -24.0249 -23.4719 -23.4719 -8.1640 -8.1640 3.1342 3.1342 5.1858 5.1858 6.0613 6.0613 6.2513 6.2513 9.0606 9.0606 10.9769 10.9769 11.0785 11.0785 12.1227 12.1227 13.0246 13.0246 13.4110 13.4110 14.1468 14.1468 k = 0.1250-0.2229-0.1345 ( 1904 PWs) bands (ev): -62.4358 -62.4358 -33.6872 -33.6872 -24.0273 -24.0273 -23.4814 -23.4814 -8.1326 -8.1326 3.0434 3.0434 5.1361 5.1361 6.1327 6.1327 6.2145 6.2145 9.1745 9.1745 10.9716 10.9716 11.0725 11.0725 12.1701 12.1701 12.9446 12.9446 13.3509 13.3509 14.1292 14.1292 k = 0.1328-0.2368-0.1429 ( 1901 PWs) bands (ev): -62.4348 -62.4348 -33.6899 -33.6899 -24.0299 -24.0299 -23.4912 -23.4912 -8.0992 -8.0992 2.9440 2.9440 5.0960 5.0960 6.1759 6.1759 6.2081 6.2081 9.2840 9.2840 10.9487 10.9487 11.0829 11.0829 12.2218 12.2218 12.8624 12.8624 13.2926 13.2926 14.1110 14.1111 k = 0.1406-0.2507-0.1513 ( 1899 PWs) bands (ev): -62.4337 -62.4337 -33.6928 -33.6928 -24.0327 -24.0327 -23.5014 -23.5014 -8.0638 -8.0638 2.8368 2.8368 5.0651 5.0651 6.1368 6.1368 6.2860 6.2860 9.3888 9.3888 10.9161 10.9161 11.1024 11.1024 12.2771 12.2771 12.7794 12.7794 13.2360 13.2360 14.0926 14.0926 k = 0.1484-0.2646-0.1597 ( 1898 PWs) bands (ev): -62.4326 -62.4326 -33.6957 -33.6957 -24.0357 -24.0357 -23.5119 -23.5119 -8.0265 -8.0265 2.7224 2.7224 5.0427 5.0427 6.0965 6.0965 6.3671 6.3671 9.4883 9.4883 10.8791 10.8791 11.1260 11.1260 12.3348 12.3348 12.6974 12.6974 13.1811 13.1811 14.0737 14.0737 k = 0.1562-0.2786-0.1682 ( 1894 PWs) bands (ev): -62.4314 -62.4314 -33.6988 -33.6988 -24.0389 -24.0389 -23.5226 -23.5226 -7.9872 -7.9872 2.6017 2.6017 5.0281 5.0281 6.0552 6.0552 6.4509 6.4509 9.5823 9.5823 10.8401 10.8401 11.1515 11.1515 12.3909 12.3909 12.6210 12.6210 13.1276 13.1276 14.0547 14.0547 k = 0.1641-0.2925-0.1766 ( 1888 PWs) bands (ev): -62.4302 -62.4302 -33.7019 -33.7019 -24.0422 -24.0422 -23.5336 -23.5336 -7.9460 -7.9460 2.4754 2.4754 5.0208 5.0208 6.0132 6.0132 6.5369 6.5369 9.6703 9.6703 10.8003 10.8003 11.1779 11.1779 12.4264 12.4264 12.5698 12.5698 13.0756 13.0756 14.0354 14.0354 k = 0.1719-0.3064-0.1850 ( 1888 PWs) bands (ev): -62.4290 -62.4290 -33.7052 -33.7052 -24.0458 -24.0458 -23.5448 -23.5448 -7.9029 -7.9029 2.3445 2.3445 5.0199 5.0199 5.9706 5.9706 6.6248 6.6248 9.7520 9.7520 10.7606 10.7606 11.2044 11.2044 12.3975 12.3975 12.5880 12.5880 13.0253 13.0253 14.0161 14.0161 k = 0.1797-0.3204-0.1934 ( 1888 PWs) bands (ev): -62.4278 -62.4278 -33.7085 -33.7085 -24.0496 -24.0496 -23.5562 -23.5562 -7.8579 -7.8579 2.2094 2.2094 5.0249 5.0249 5.9275 5.9275 6.7142 6.7142 9.8271 9.8271 10.7215 10.7215 11.2304 11.2304 12.3316 12.3316 12.6483 12.6483 12.9773 12.9773 13.9967 13.9967 k = 0.1875-0.3343-0.2018 ( 1888 PWs) bands (ev): -62.4265 -62.4265 -33.7120 -33.7120 -24.0535 -24.0535 -23.5676 -23.5676 -7.8111 -7.8111 2.0711 2.0711 5.0352 5.0352 5.8841 5.8841 6.8046 6.8046 9.8952 9.8952 10.6836 10.6836 11.2553 11.2553 12.2605 12.2605 12.7175 12.7175 12.9339 12.9339 13.9775 13.9775 k = 0.1953-0.3482-0.2102 ( 1889 PWs) bands (ev): -62.4252 -62.4252 -33.7155 -33.7155 -24.0577 -24.0577 -23.5791 -23.5791 -7.7623 -7.7623 1.9299 1.9299 5.0502 5.0502 5.8404 5.8404 6.8954 6.8954 9.9561 9.9561 10.6473 10.6473 11.2783 11.2783 12.1918 12.1918 12.7780 12.7780 12.9060 12.9060 13.9585 13.9585 k = 0.2031-0.3621-0.2186 ( 1890 PWs) bands (ev): -62.4238 -62.4238 -33.7191 -33.7191 -24.0621 -24.0621 -23.5906 -23.5906 -7.7118 -7.7118 1.7865 1.7865 5.0696 5.0696 5.7966 5.7966 6.9861 6.9861 10.0095 10.0095 10.6128 10.6128 11.2988 11.2988 12.1285 12.1285 12.7895 12.7895 12.9322 12.9322 13.9400 13.9400 k = 0.2109-0.3761-0.2270 ( 1890 PWs) bands (ev): -62.4225 -62.4225 -33.7227 -33.7227 -24.0668 -24.0668 -23.6021 -23.6021 -7.6594 -7.6594 1.6412 1.6412 5.0929 5.0929 5.7529 5.7529 7.0761 7.0761 10.0554 10.0554 10.5803 10.5803 11.3160 11.3160 12.0726 12.0726 12.7588 12.7588 13.0047 13.0047 13.9223 13.9223 k = 0.2188-0.3900-0.2354 ( 1886 PWs) bands (ev): -62.4211 -62.4211 -33.7264 -33.7264 -24.0716 -24.0716 -23.6135 -23.6135 -7.6052 -7.6052 1.4946 1.4946 5.1198 5.1198 5.7092 5.7092 7.1647 7.1647 10.0937 10.0937 10.5497 10.5497 11.3293 11.3293 12.0254 12.0254 12.7191 12.7191 13.0897 13.0897 13.9057 13.9057 k = 0.2266-0.4039-0.2438 ( 1886 PWs) bands (ev): -62.4197 -62.4197 -33.7301 -33.7301 -24.0766 -24.0766 -23.6248 -23.6248 -7.5493 -7.5493 1.3469 1.3469 5.1500 5.1500 5.6658 5.6658 7.2512 7.2512 10.1245 10.1245 10.5210 10.5210 11.3385 11.3385 11.9883 11.9883 12.6783 12.6783 13.1789 13.1789 13.8910 13.8910 k = 0.2344-0.4179-0.2522 ( 1885 PWs) bands (ev): -62.4183 -62.4183 -33.7339 -33.7339 -24.0819 -24.0819 -23.6360 -23.6360 -7.4916 -7.4916 1.1984 1.1984 5.1833 5.1833 5.6227 5.6227 7.3348 7.3348 10.1477 10.1477 10.4941 10.4941 11.3442 11.3442 11.9614 11.9614 12.6383 12.6383 13.2692 13.2692 13.8791 13.8791 k = 0.2422-0.4318-0.2606 ( 1882 PWs) bands (ev): -62.4169 -62.4169 -33.7376 -33.7376 -24.0873 -24.0873 -23.6470 -23.6470 -7.4322 -7.4322 1.0495 1.0495 5.2194 5.2194 5.5799 5.5799 7.4147 7.4147 10.1629 10.1629 10.4692 10.4692 11.3476 11.3476 11.9443 11.9443 12.6002 12.6002 13.3581 13.3581 13.8721 13.8721 k = 0.2500-0.4457-0.2690 ( 1884 PWs) bands (ev): -62.4155 -62.4155 -33.7414 -33.7414 -24.0930 -24.0930 -23.6577 -23.6577 -7.3712 -7.3712 0.9003 0.9003 5.2582 5.2582 5.5377 5.5377 7.4902 7.4902 10.1693 10.1693 10.4472 10.4472 11.3506 11.3506 11.9356 11.9356 12.5647 12.5647 13.4416 13.4416 13.8734 13.8734 k = 0.2578-0.4596-0.2775 ( 1888 PWs) bands (ev): -62.4141 -62.4141 -33.7453 -33.7453 -24.0989 -24.0989 -23.6682 -23.6682 -7.3085 -7.3085 0.7511 0.7511 5.2995 5.2995 5.4960 5.4960 7.5606 7.5606 10.1650 10.1650 10.4299 10.4299 11.3554 11.3554 11.9334 11.9334 12.5326 12.5326 13.5139 13.5139 13.8887 13.8887 k = 0.2656-0.4736-0.2859 ( 1888 PWs) bands (ev): -62.4127 -62.4127 -33.7491 -33.7491 -24.1050 -24.1050 -23.6785 -23.6785 -7.2443 -7.2443 0.6021 0.6021 5.3431 5.3431 5.4550 5.4550 7.6253 7.6253 10.1480 10.1480 10.4198 10.4198 11.3640 11.3640 11.9355 11.9355 12.5046 12.5046 13.5672 13.5672 13.9255 13.9255 k = 0.2734-0.4875-0.2943 ( 1890 PWs) bands (ev): -62.4113 -62.4113 -33.7529 -33.7529 -24.1112 -24.1112 -23.6884 -23.6884 -7.1785 -7.1785 0.4534 0.4534 5.3889 5.3889 5.4148 5.4148 7.6836 7.6836 10.1174 10.1174 10.4180 10.4180 11.3781 11.3781 11.9399 11.9399 12.4818 12.4818 13.5980 13.5980 13.9872 13.9872 k = 0.2812-0.5014-0.3027 ( 1891 PWs) bands (ev): -62.4099 -62.4099 -33.7566 -33.7566 -24.1176 -24.1176 -23.6980 -23.6980 -7.1112 -7.1112 0.3054 0.3054 5.3753 5.3753 5.4369 5.4369 7.7354 7.7354 10.0742 10.0742 10.4239 10.4239 11.3986 11.3986 11.9448 11.9448 12.4651 12.4651 13.6103 13.6103 14.0696 14.0696 k = 0.2891-0.5153-0.3111 ( 1894 PWs) bands (ev): -62.4086 -62.4086 -33.7604 -33.7604 -24.1242 -24.1242 -23.7072 -23.7072 -7.0425 -7.0425 0.1580 0.1580 5.3367 5.3367 5.4868 5.4868 7.7802 7.7802 10.0205 10.0205 10.4357 10.4357 11.4259 11.4259 11.9491 11.9491 12.4554 12.4554 13.6109 13.6109 14.1657 14.1657 k = 0.2969-0.5293-0.3195 ( 1896 PWs) bands (ev): -62.4072 -62.4072 -33.7641 -33.7641 -24.1309 -24.1309 -23.7161 -23.7161 -6.9724 -6.9724 0.0115 0.0115 5.2990 5.2990 5.5386 5.5386 7.8182 7.8182 9.9587 9.9587 10.4512 10.4512 11.4595 11.4595 11.9530 11.9530 12.4533 12.4533 13.6050 13.6050 14.2701 14.2701 k = 0.3047-0.5432-0.3279 ( 1893 PWs) bands (ev): -62.4059 -62.4059 -33.7677 -33.7677 -24.1376 -24.1376 -23.7245 -23.7245 -6.9010 -6.9010 -0.1339 -0.1339 5.2623 5.2623 5.5921 5.5921 7.8494 7.8494 9.8904 9.8904 10.4688 10.4688 11.4979 11.4979 11.9575 11.9575 12.4589 12.4589 13.5954 13.5954 14.3797 14.3797 k = 0.3125-0.5571-0.3363 ( 1893 PWs) bands (ev): -62.4045 -62.4045 -33.7713 -33.7713 -24.1445 -24.1445 -23.7326 -23.7326 -6.8283 -6.8283 -0.2781 -0.2781 5.2267 5.2267 5.6473 5.6473 7.8742 7.8742 9.8173 9.8173 10.4872 10.4872 11.5381 11.5381 11.9658 11.9658 12.4721 12.4721 13.5840 13.5840 14.4927 14.4927 k = 0.3203-0.5711-0.3447 ( 1887 PWs) bands (ev): -62.4032 -62.4032 -33.7747 -33.7747 -24.1513 -24.1513 -23.7403 -23.7403 -6.7546 -6.7546 -0.4209 -0.4209 5.1921 5.1921 5.7041 5.7041 7.8931 7.8931 9.7403 9.7403 10.5052 10.5052 11.5751 11.5751 11.9827 11.9827 12.4922 12.4922 13.5715 13.5715 14.6078 14.6078 k = 0.3281-0.5850-0.3531 ( 1887 PWs) bands (ev): -62.4020 -62.4020 -33.7782 -33.7782 -24.1583 -24.1583 -23.7476 -23.7476 -6.6798 -6.6798 -0.5623 -0.5623 5.1587 5.1587 5.7624 5.7624 7.9065 7.9065 9.6603 9.6603 10.5221 10.5221 11.6033 11.6033 12.0138 12.0138 12.5190 12.5190 13.5587 13.5587 14.7243 14.7243 k = 0.3359-0.5989-0.3615 ( 1889 PWs) bands (ev): -62.4008 -62.4008 -33.7815 -33.7815 -24.1652 -24.1652 -23.7545 -23.7545 -6.6041 -6.6041 -0.7019 -0.7019 5.1265 5.1265 5.8221 5.8221 7.9151 7.9151 9.5781 9.5781 10.5375 10.5375 11.6186 11.6186 12.0626 12.0626 12.5523 12.5523 13.5458 13.5458 14.8414 14.8414 k = 0.3438-0.6128-0.3699 ( 1890 PWs) bands (ev): -62.3996 -62.3996 -33.7848 -33.7848 -24.1720 -24.1720 -23.7610 -23.7610 -6.5276 -6.5276 -0.8396 -0.8396 5.0956 5.0956 5.8831 5.8831 7.9195 7.9195 9.4942 9.4942 10.5511 10.5511 11.6206 11.6206 12.1276 12.1276 12.5927 12.5927 13.5332 13.5332 14.9585 14.9585 k = 0.3516-0.6268-0.3783 ( 1884 PWs) bands (ev): -62.3984 -62.3984 -33.7879 -33.7879 -24.1788 -24.1788 -23.7671 -23.7671 -6.4504 -6.4504 -0.9752 -0.9752 5.0659 5.0659 5.9454 5.9454 7.9202 7.9202 9.4091 9.4091 10.5629 10.5629 11.6122 11.6122 12.2035 12.2035 12.6417 12.6417 13.5211 13.5211 15.0752 15.0752 k = 0.3594-0.6407-0.3868 ( 1885 PWs) bands (ev): -62.3973 -62.3973 -33.7910 -33.7910 -24.1855 -24.1855 -23.7729 -23.7729 -6.3728 -6.3728 -1.1086 -1.1086 5.0375 5.0375 6.0087 6.0087 7.9179 7.9179 9.3233 9.3233 10.5730 10.5730 11.5966 11.5966 12.2835 12.2835 12.7016 12.7016 13.5095 13.5095 15.1910 15.1910 k = 0.3672-0.6546-0.3952 ( 1882 PWs) bands (ev): -62.3962 -62.3962 -33.7939 -33.7939 -24.1920 -24.1920 -23.7782 -23.7782 -6.2949 -6.2949 -1.2394 -1.2394 5.0105 5.0105 6.0730 6.0730 7.9131 7.9131 9.2370 9.2370 10.5815 10.5815 11.5765 11.5765 12.3607 12.3607 12.7753 12.7753 13.4987 13.4987 15.3052 15.3052 k = 0.3750-0.6686-0.4036 ( 1880 PWs) bands (ev): -62.3952 -62.3952 -33.7967 -33.7967 -24.1984 -24.1984 -23.7832 -23.7832 -6.2169 -6.2169 -1.3674 -1.3674 4.9848 4.9848 6.1381 6.1381 7.9063 7.9063 9.1506 9.1506 10.5886 10.5886 11.5536 11.5536 12.4300 12.4300 12.8650 12.8650 13.4887 13.4887 15.4175 15.4175 k = 0.3828-0.6825-0.4120 ( 1881 PWs) bands (ev): -62.3942 -62.3942 -33.7993 -33.7993 -24.2046 -24.2046 -23.7878 -23.7878 -6.1391 -6.1391 -1.4924 -1.4924 4.9606 4.9606 6.2040 6.2040 7.8980 7.8980 9.0644 9.0644 10.5945 10.5945 11.5293 11.5293 12.4892 12.4892 12.9699 12.9699 13.4797 13.4797 15.5273 15.5273 k = 0.3906-0.6964-0.4204 ( 1883 PWs) bands (ev): -62.3933 -62.3933 -33.8019 -33.8019 -24.2105 -24.2105 -23.7921 -23.7921 -6.0619 -6.0619 -1.6139 -1.6139 4.9378 4.9378 6.2703 6.2703 7.8886 7.8886 8.9787 8.9787 10.5993 10.5993 11.5043 11.5043 12.5389 12.5389 13.0873 13.0873 13.4720 13.4720 15.6339 15.6339 k = 0.3984-0.7103-0.4288 ( 1882 PWs) bands (ev): -62.3924 -62.3924 -33.8043 -33.8043 -24.2161 -24.2161 -23.7960 -23.7960 -5.9855 -5.9855 -1.7316 -1.7316 4.9165 4.9165 6.3370 6.3370 7.8784 7.8784 8.8938 8.8938 10.6033 10.6033 11.4794 11.4794 12.5809 12.5809 13.2126 13.2126 13.4663 13.4663 15.7369 15.7369 k = 0.4062-0.7243-0.4372 ( 1882 PWs) bands (ev): -62.3916 -62.3916 -33.8065 -33.8065 -24.2215 -24.2215 -23.7996 -23.7996 -5.9103 -5.9103 -1.8451 -1.8451 4.8967 4.8967 6.4038 6.4038 7.8677 7.8677 8.8100 8.8100 10.6066 10.6066 11.4550 11.4550 12.6168 12.6168 13.3385 13.3385 13.4664 13.4664 15.8356 15.8356 k = 0.4141-0.7382-0.4456 ( 1880 PWs) bands (ev): -62.3909 -62.3909 -33.8086 -33.8086 -24.2265 -24.2265 -23.8028 -23.8028 -5.8369 -5.8369 -1.9539 -1.9539 4.8783 4.8783 6.4704 6.4704 7.8569 7.8569 8.7278 8.7278 10.6094 10.6094 11.4315 11.4315 12.6480 12.6480 13.4235 13.4235 13.5109 13.5109 15.9293 15.9293 k = 0.4219-0.7521-0.4540 ( 1880 PWs) bands (ev): -62.3902 -62.3902 -33.8105 -33.8105 -24.2312 -24.2312 -23.8058 -23.8058 -5.7657 -5.7657 -2.0575 -2.0575 4.8615 4.8615 6.5364 6.5364 7.8462 7.8462 8.6476 8.6476 10.6117 10.6117 11.4092 11.4092 12.6751 12.6751 13.4339 13.4339 13.6307 13.6307 16.0175 16.0175 k = 0.4297-0.7661-0.4624 ( 1878 PWs) bands (ev): -62.3895 -62.3895 -33.8122 -33.8122 -24.2355 -24.2355 -23.8084 -23.8084 -5.6974 -5.6974 -2.1551 -2.1551 4.8463 4.8463 6.6014 6.6014 7.8357 7.8357 8.5698 8.5698 10.6136 10.6136 11.3883 11.3883 12.6988 12.6988 13.4328 13.4328 13.7603 13.7603 16.0993 16.0993 k = 0.4375-0.7800-0.4708 ( 1873 PWs) bands (ev): -62.3889 -62.3889 -33.8138 -33.8138 -24.2394 -24.2394 -23.8107 -23.8107 -5.6327 -5.6327 -2.2461 -2.2461 4.8326 4.8326 6.6647 6.6647 7.8256 7.8256 8.4951 8.4951 10.6153 10.6153 11.3690 11.3690 12.7194 12.7194 13.4304 13.4304 13.8871 13.8871 16.1743 16.1743 k = 0.4453-0.7939-0.4792 ( 1874 PWs) bands (ev): -62.3884 -62.3884 -33.8152 -33.8152 -24.2429 -24.2429 -23.8128 -23.8128 -5.5724 -5.5724 -2.3297 -2.3297 4.8205 4.8205 6.7258 6.7258 7.8161 7.8161 8.4243 8.4243 10.6167 10.6167 11.3515 11.3515 12.7372 12.7372 13.4282 13.4282 14.0074 14.0074 16.2417 16.2417 k = 0.4531-0.8078-0.4877 ( 1872 PWs) bands (ev): -62.3880 -62.3880 -33.8164 -33.8164 -24.2460 -24.2460 -23.8145 -23.8145 -5.5173 -5.5173 -2.4049 -2.4049 4.8100 4.8100 6.7836 6.7836 7.8072 7.8072 8.3584 8.3584 10.6179 10.6179 11.3361 11.3361 12.7524 12.7524 13.4262 13.4262 14.1187 14.1187 16.3010 16.3010 k = 0.4609-0.8218-0.4961 ( 1868 PWs) bands (ev): -62.3876 -62.3876 -33.8174 -33.8174 -24.2486 -24.2486 -23.8160 -23.8160 -5.4684 -5.4684 -2.4708 -2.4708 4.8011 4.8011 6.8370 6.8370 7.7990 7.7990 8.2986 8.2986 10.6189 10.6189 11.3227 11.3227 12.7650 12.7650 13.4247 13.4247 14.2184 14.2184 16.3518 16.3518 k = 0.4688-0.8357-0.5045 ( 1866 PWs) bands (ev): -62.3873 -62.3873 -33.8183 -33.8183 -24.2508 -24.2508 -23.8172 -23.8172 -5.4267 -5.4267 -2.5266 -2.5266 4.7938 4.7938 6.8845 6.8845 7.7918 7.7918 8.2463 8.2463 10.6198 10.6198 11.3116 11.3116 12.7752 12.7752 13.4235 13.4235 14.3042 14.3042 16.3936 16.3936 k = 0.4766-0.8496-0.5129 ( 1861 PWs) bands (ev): -62.3871 -62.3871 -33.8189 -33.8189 -24.2525 -24.2525 -23.8181 -23.8181 -5.3930 -5.3930 -2.5711 -2.5711 4.7881 4.7881 6.9244 6.9244 7.7856 7.7856 8.2031 8.2031 10.6204 10.6204 11.3029 11.3029 12.7830 12.7830 13.4227 13.4227 14.3737 14.3737 16.4262 16.4262 k = 0.4844-0.8636-0.5213 ( 1860 PWs) bands (ev): -62.3869 -62.3869 -33.8194 -33.8194 -24.2537 -24.2537 -23.8188 -23.8188 -5.3683 -5.3683 -2.6036 -2.6036 4.7840 4.7840 6.9548 6.9548 7.7807 7.7807 8.1707 8.1707 10.6209 10.6209 11.2966 11.2966 12.7886 12.7886 13.4221 13.4221 14.4251 14.4251 16.4496 16.4496 k = 0.4922-0.8775-0.5297 ( 1860 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2544 -24.2544 -23.8192 -23.8192 -5.3531 -5.3531 -2.6234 -2.6234 4.7816 4.7816 6.9740 6.9740 7.7776 7.7776 8.1506 8.1506 10.6212 10.6212 11.2928 11.2928 12.7919 12.7919 13.4218 13.4218 14.4566 14.4566 16.4636 16.4636 k = 0.5000-0.8914-0.5381 ( 1858 PWs) bands (ev): -62.3867 -62.3867 -33.8197 -33.8197 -24.2547 -24.2547 -23.8193 -23.8193 -5.3480 -5.3480 -2.6301 -2.6301 4.7808 4.7808 6.9805 6.9805 7.7765 7.7765 8.1438 8.1438 10.6213 10.6213 11.2916 11.2916 12.7930 12.7930 13.4217 13.4217 14.4672 14.4672 16.4682 16.4682 k = 0.5000-0.8914-0.5381 ( 1858 PWs) bands (ev): -62.3867 -62.3867 -33.8197 -33.8197 -24.2547 -24.2547 -23.8193 -23.8193 -5.3480 -5.3480 -2.6301 -2.6301 4.7808 4.7808 6.9805 6.9805 7.7765 7.7765 8.1438 8.1438 10.6213 10.6213 11.2916 11.2916 12.7930 12.7930 13.4217 13.4217 14.4672 14.4672 16.4682 16.4682 k = 0.5000-0.8821-0.5535 ( 1860 PWs) bands (ev): -62.3867 -62.3867 -33.8198 -33.8198 -24.2545 -24.2545 -23.8196 -23.8196 -5.3469 -5.3469 -2.6306 -2.6306 4.7753 4.7753 6.9825 6.9825 7.7790 7.7790 8.1446 8.1446 10.6274 10.6274 11.2910 11.2910 12.7926 12.7926 13.4188 13.4188 14.4569 14.4569 16.4798 16.4798 k = 0.5000-0.8728-0.5689 ( 1864 PWs) bands (ev): -62.3867 -62.3867 -33.8199 -33.8199 -24.2541 -24.2541 -23.8205 -23.8205 -5.3436 -5.3436 -2.6323 -2.6323 4.7590 4.7590 6.9882 6.9882 7.7866 7.7866 8.1473 8.1473 10.6458 10.6458 11.2892 11.2892 12.7914 12.7914 13.4102 13.4102 14.4268 14.4268 16.5139 16.5139 k = 0.5000-0.8635-0.5844 ( 1864 PWs) bands (ev): -62.3866 -62.3866 -33.8200 -33.8200 -24.2535 -24.2535 -23.8220 -23.8220 -5.3381 -5.3381 -2.6351 -2.6351 4.7322 4.7322 6.9976 6.9976 7.7990 7.7990 8.1518 8.1518 10.6761 10.6761 11.2864 11.2864 12.7893 12.7893 13.3962 13.3962 14.3788 14.3788 16.5684 16.5684 k = 0.5000-0.8542-0.5998 ( 1868 PWs) bands (ev): -62.3866 -62.3866 -33.8202 -33.8202 -24.2525 -24.2525 -23.8241 -23.8241 -5.3303 -5.3303 -2.6390 -2.6390 4.6957 4.6957 7.0103 7.0103 7.8162 7.8162 8.1583 8.1583 10.7180 10.7180 11.2823 11.2823 12.7862 12.7862 13.3770 13.3770 14.3157 14.3157 16.6406 16.6406 k = 0.5000-0.8449-0.6152 ( 1868 PWs) bands (ev): -62.3865 -62.3865 -33.8205 -33.8205 -24.2513 -24.2513 -23.8267 -23.8267 -5.3204 -5.3204 -2.6442 -2.6442 4.6501 4.6501 7.0261 7.0261 7.8378 7.8378 8.1671 8.1671 10.7711 10.7711 11.2772 11.2772 12.7817 12.7817 13.3530 13.3530 14.2405 14.2405 16.7274 16.7274 k = 0.5000-0.8356-0.6306 ( 1870 PWs) bands (ev): -62.3863 -62.3863 -33.8208 -33.8208 -24.2498 -24.2498 -23.8299 -23.8299 -5.3082 -5.3082 -2.6505 -2.6505 4.5964 4.5964 7.0444 7.0444 7.8632 7.8632 8.1785 8.1785 10.8347 10.8347 11.2709 11.2709 12.7756 12.7756 13.3250 13.3250 14.1561 14.1561 16.8256 16.8256 k = 0.5000-0.8262-0.6461 ( 1868 PWs) bands (ev): -62.3862 -62.3862 -33.8211 -33.8211 -24.2481 -24.2481 -23.8337 -23.8337 -5.2938 -5.2938 -2.6582 -2.6582 4.5356 4.5356 7.0651 7.0651 7.8919 7.8919 8.1931 8.1931 10.9081 10.9081 11.2636 11.2636 12.7672 12.7672 13.2937 13.2937 14.0649 14.0649 16.9306 16.9306 k = 0.5000-0.8169-0.6615 ( 1870 PWs) bands (ev): -62.3860 -62.3860 -33.8215 -33.8215 -24.2461 -24.2461 -23.8380 -23.8380 -5.2772 -5.2772 -2.6672 -2.6672 4.4687 4.4687 7.0877 7.0877 7.9229 7.9229 8.2116 8.2116 10.9904 10.9904 11.2552 11.2552 12.7559 12.7559 13.2601 13.2601 13.9690 13.9690 17.0098 17.0098 k = 0.5000-0.8076-0.6769 ( 1870 PWs) bands (ev): -62.3858 -62.3858 -33.8220 -33.8220 -24.2439 -24.2439 -23.8428 -23.8428 -5.2584 -5.2584 -2.6776 -2.6776 4.3966 4.3966 7.1119 7.1119 7.9550 7.9550 8.2351 8.2351 11.0808 11.0808 11.2459 11.2459 12.7408 12.7408 13.2254 13.2254 13.8703 13.8703 16.9728 16.9728 k = 0.5000-0.7983-0.6923 ( 1874 PWs) bands (ev): -62.3856 -62.3856 -33.8225 -33.8225 -24.2414 -24.2414 -23.8481 -23.8481 -5.2375 -5.2375 -2.6895 -2.6895 4.3204 4.3204 7.1375 7.1375 7.9868 7.9868 8.2648 8.2648 11.1774 11.1774 11.2366 11.2366 12.7208 12.7208 13.1911 13.1911 13.7703 13.7703 16.9125 16.9125 k = 0.5000-0.7890-0.7078 ( 1876 PWs) bands (ev): -62.3854 -62.3854 -33.8230 -33.8230 -24.2386 -24.2386 -23.8538 -23.8538 -5.2143 -5.2143 -2.7030 -2.7030 4.2410 4.2410 7.1643 7.1643 8.0168 8.0168 8.3020 8.3020 11.2217 11.2217 11.2847 11.2847 12.6949 12.6949 13.1586 13.1586 13.6703 13.6703 16.8482 16.8482 k = 0.5000-0.7797-0.7232 ( 1876 PWs) bands (ev): -62.3852 -62.3852 -33.8236 -33.8236 -24.2357 -24.2357 -23.8600 -23.8600 -5.1889 -5.1889 -2.7182 -2.7182 4.1592 4.1592 7.1922 7.1922 8.0440 8.0440 8.3473 8.3473 11.2104 11.2104 11.3925 11.3925 12.6620 12.6620 13.1292 13.1292 13.5717 13.5717 16.7817 16.7817 k = 0.5000-0.7704-0.7386 ( 1876 PWs) bands (ev): -62.3849 -62.3849 -33.8242 -33.8242 -24.2324 -24.2324 -23.8667 -23.8667 -5.1612 -5.1612 -2.7352 -2.7352 4.0758 4.0758 7.2210 7.2210 8.0680 8.0680 8.4009 8.4009 11.1975 11.1975 11.5046 11.5046 12.6218 12.6218 13.1038 13.1038 13.4758 13.4758 16.7134 16.7134 k = 0.5000-0.7611-0.7540 ( 1880 PWs) bands (ev): -62.3847 -62.3847 -33.8248 -33.8248 -24.2290 -24.2290 -23.8737 -23.8737 -5.1314 -5.1314 -2.7541 -2.7541 3.9917 3.9917 7.2507 7.2507 8.0887 8.0887 8.4626 8.4626 11.1839 11.1839 11.6188 11.6188 12.5744 12.5744 13.0823 13.0823 13.3844 13.3844 16.6435 16.6435 k = 0.5000-0.7518-0.7695 ( 1880 PWs) bands (ev): -62.3844 -62.3844 -33.8255 -33.8255 -24.2253 -24.2253 -23.8811 -23.8811 -5.0995 -5.0995 -2.7750 -2.7750 3.9075 3.9075 7.2812 7.2812 8.1065 8.1065 8.5315 8.5315 11.1696 11.1696 11.7324 11.7324 12.5210 12.5210 13.0640 13.0640 13.2997 13.2997 16.5722 16.5722 k = 0.5000-0.7424-0.7849 ( 1882 PWs) bands (ev): -62.3841 -62.3841 -33.8262 -33.8262 -24.2214 -24.2214 -23.8888 -23.8888 -5.0653 -5.0653 -2.7980 -2.7980 3.8238 3.8238 7.3125 7.3125 8.1218 8.1218 8.6069 8.6069 11.1549 11.1549 11.8418 11.8418 12.4636 12.4636 13.0467 13.0467 13.2254 13.2254 16.4995 16.4995 k = 0.5000-0.7331-0.8003 ( 1878 PWs) bands (ev): -62.3838 -62.3838 -33.8269 -33.8269 -24.2173 -24.2173 -23.8968 -23.8968 -5.0289 -5.0289 -2.8233 -2.8233 3.7412 3.7412 7.3446 7.3446 8.1350 8.1350 8.6879 8.6879 11.1399 11.1399 11.9407 11.9407 12.4062 12.4062 13.0273 13.0273 13.1671 13.1671 16.4256 16.4256 k = 0.5000-0.7238-0.8157 ( 1876 PWs) bands (ev): -62.3835 -62.3835 -33.8276 -33.8276 -24.2130 -24.2130 -23.9050 -23.9050 -4.9903 -4.9903 -2.8508 -2.8508 3.6603 3.6603 7.3773 7.3773 8.1463 8.1463 8.7739 8.7739 11.1249 11.1249 12.0169 12.0169 12.3568 12.3568 13.0048 13.0048 13.1301 13.1301 16.3505 16.3505 k = 0.5000-0.7145-0.8312 ( 1884 PWs) bands (ev): -62.3832 -62.3832 -33.8283 -33.8283 -24.2086 -24.2086 -23.9136 -23.9136 -4.9496 -4.9496 -2.8809 -2.8809 3.5815 3.5815 7.4108 7.4108 8.1557 8.1557 8.8643 8.8643 11.1102 11.1102 12.0505 12.0505 12.3288 12.3288 12.9876 12.9876 13.1124 13.1124 16.2743 16.2743 k = 0.5000-0.7052-0.8466 ( 1880 PWs) bands (ev): -62.3829 -62.3829 -33.8291 -33.8291 -24.2039 -24.2039 -23.9222 -23.9222 -4.9067 -4.9067 -2.9135 -2.9135 3.5053 3.5053 7.4450 7.4450 8.1633 8.1633 8.9584 8.9584 11.0958 11.0958 12.0306 12.0306 12.3243 12.3243 12.9905 12.9905 13.1078 13.1078 16.1971 16.1971 k = 0.5000-0.6959-0.8620 ( 1880 PWs) bands (ev): -62.3826 -62.3826 -33.8298 -33.8298 -24.1991 -24.1991 -23.9310 -23.9310 -4.8616 -4.8616 -2.9487 -2.9487 3.4321 3.4321 7.4799 7.4799 8.1689 8.1689 9.0556 9.0556 11.0822 11.0822 11.9752 11.9752 12.3199 12.3199 13.0213 13.0213 13.1140 13.1140 16.1189 16.1189 k = 0.5000-0.6866-0.8774 ( 1884 PWs) bands (ev): -62.3823 -62.3823 -33.8305 -33.8305 -24.1942 -24.1942 -23.9399 -23.9399 -4.8143 -4.8143 -2.9866 -2.9866 3.3622 3.3622 7.5154 7.5154 8.1725 8.1725 9.1555 9.1555 11.0696 11.0696 11.9035 11.9035 12.2990 12.2990 13.0658 13.0658 13.1425 13.1425 16.0398 16.0398 k = 0.5000-0.6773-0.8929 ( 1886 PWs) bands (ev): -62.3820 -62.3820 -33.8313 -33.8313 -24.1891 -24.1891 -23.9489 -23.9489 -4.7648 -4.7648 -3.0274 -3.0274 3.2960 3.2960 7.5516 7.5516 8.1739 8.1739 9.2574 9.2574 11.0584 11.0584 11.8245 11.8245 12.2615 12.2615 13.0914 13.0914 13.2169 13.2169 15.9599 15.9599 k = 0.5000-0.6680-0.9083 ( 1884 PWs) bands (ev): -62.3817 -62.3817 -33.8320 -33.8320 -24.1839 -24.1839 -23.9579 -23.9579 -4.7132 -4.7132 -3.0711 -3.0711 3.2338 3.2338 7.5884 7.5884 8.1728 8.1728 9.3606 9.3606 11.0489 11.0489 11.7420 11.7420 12.2128 12.2128 13.1051 13.1051 13.3208 13.3208 15.8793 15.8793 k = 0.5000-0.6586-0.9237 ( 1880 PWs) bands (ev): -62.3814 -62.3814 -33.8327 -33.8327 -24.1786 -24.1786 -23.9667 -23.9667 -4.6595 -4.6595 -3.1176 -3.1176 3.1758 3.1758 7.6258 7.6258 8.1691 8.1691 9.4646 9.4646 11.0413 11.0413 11.6581 11.6581 12.1579 12.1579 13.1166 13.1166 13.4376 13.4376 15.7980 15.7980 k = 0.5000-0.6493-0.9391 ( 1880 PWs) bands (ev): -62.3812 -62.3812 -33.8333 -33.8333 -24.1733 -24.1733 -23.9755 -23.9755 -4.6036 -4.6036 -3.1671 -3.1671 3.1222 3.1222 7.6637 7.6637 8.1625 8.1625 9.5686 9.5686 11.0361 11.0361 11.5740 11.5740 12.1001 12.1001 13.1280 13.1280 13.5606 13.5606 15.7162 15.7162 k = 0.5000-0.6400-0.9545 ( 1880 PWs) bands (ev): -62.3809 -62.3809 -33.8340 -33.8340 -24.1680 -24.1680 -23.9841 -23.9841 -4.5455 -4.5455 -3.2196 -3.2196 3.0732 3.0732 7.7022 7.7022 8.1528 8.1528 9.6719 9.6719 11.0332 11.0332 11.4906 11.4906 12.0413 12.0413 13.1398 13.1398 13.6864 13.6864 15.6339 15.6339 k = 0.5000-0.6307-0.9700 ( 1886 PWs) bands (ev): -62.3807 -62.3807 -33.8346 -33.8346 -24.1627 -24.1627 -23.9925 -23.9925 -4.4853 -4.4853 -3.2750 -3.2750 3.0289 3.0289 7.7411 7.7411 8.1398 8.1398 9.7737 9.7737 11.0329 11.0329 11.4089 11.4089 11.9829 11.9829 13.1522 13.1522 13.8128 13.8128 15.5511 15.5511 k = 0.5000-0.6214-0.9854 ( 1878 PWs) bands (ev): -62.3804 -62.3804 -33.8351 -33.8351 -24.1576 -24.1576 -24.0005 -24.0005 -4.4230 -4.4230 -3.3334 -3.3334 2.9894 2.9894 7.7805 7.7805 8.1233 8.1233 9.8731 9.8731 11.0342 11.0342 11.3304 11.3304 11.9259 11.9259 13.1650 13.1650 13.9383 13.9383 15.4681 15.4681 k = 0.5000-0.6121-1.0008 ( 1878 PWs) bands (ev): -62.3802 -62.3802 -33.8356 -33.8356 -24.1526 -24.1526 -24.0080 -24.0080 -4.3585 -4.3585 -3.3947 -3.3947 2.9549 2.9549 7.8201 7.8201 8.1032 8.1032 9.9693 9.9693 11.0351 11.0351 11.2580 11.2580 11.8710 11.8710 13.1782 13.1782 14.0619 14.0619 15.3850 15.3850 k = 0.5000-0.6028-1.0162 ( 1880 PWs) bands (ev): -62.3801 -62.3801 -33.8361 -33.8361 -24.1478 -24.1478 -24.0150 -24.0150 -4.2919 -4.2919 -3.4587 -3.4587 2.9253 2.9253 7.8598 7.8598 8.0794 8.0794 10.0615 10.0615 11.0289 11.0289 11.1987 11.1987 11.8186 11.8186 13.1917 13.1917 14.1827 14.1827 15.3018 15.3018 k = 0.5000-0.5935-1.0317 ( 1880 PWs) bands (ev): -62.3799 -62.3799 -33.8365 -33.8365 -24.1435 -24.1435 -24.0213 -24.0213 -4.2232 -4.2232 -3.5256 -3.5256 2.9006 2.9006 7.8992 7.8992 8.0523 8.0523 10.1489 10.1489 11.0023 11.0023 11.1661 11.1661 11.7693 11.7693 13.2053 13.2053 14.3000 14.3000 15.2186 15.2186 k = 0.5000-0.5842-1.0471 ( 1880 PWs) bands (ev): -62.3798 -62.3798 -33.8368 -33.8368 -24.1397 -24.1397 -24.0267 -24.0267 -4.1524 -4.1524 -3.5951 -3.5951 2.8810 2.8810 7.9367 7.9367 8.0232 8.0232 10.2309 10.2309 10.9519 10.9519 11.1637 11.1637 11.7235 11.7235 13.2191 13.2191 14.4132 14.4132 15.1358 15.1358 k = 0.5000-0.5749-1.0625 ( 1878 PWs) bands (ev): -62.3797 -62.3797 -33.8370 -33.8370 -24.1366 -24.1366 -24.0310 -24.0310 -4.0794 -4.0794 -3.6672 -3.6672 2.8662 2.8662 7.9582 7.9582 8.0061 8.0061 10.3070 10.3070 10.8897 10.8897 11.1791 11.1791 11.6816 11.6816 13.2327 13.2327 14.5217 14.5217 15.0534 15.0534 k = 0.5000-0.5655-1.0779 ( 1884 PWs) bands (ev): -62.3796 -62.3796 -33.8372 -33.8372 -24.1345 -24.1345 -24.0341 -24.0341 -4.0044 -4.0044 -3.7417 -3.7417 2.8563 2.8563 7.9328 7.9328 8.0321 8.0321 10.3767 10.3767 10.8246 10.8246 11.2029 11.2029 11.6442 11.6442 13.2460 13.2460 14.6251 14.6251 14.9716 14.9716 k = 0.5000-0.5562-1.0934 ( 1888 PWs) bands (ev): -62.3796 -62.3796 -33.8373 -33.8373 -24.1333 -24.1333 -24.0357 -24.0357 -3.9273 -3.9273 -3.8185 -3.8185 2.8513 2.8513 7.8909 7.8909 8.0704 8.0704 10.4394 10.4394 10.7606 10.7606 11.2305 11.2305 11.6119 11.6119 13.2587 13.2587 14.7230 14.7230 14.8908 14.8908 k = 0.5000-0.5469-1.1088 ( 1888 PWs) bands (ev): -62.3796 -62.3796 -33.8374 -33.8374 -24.1332 -24.1332 -24.0359 -24.0359 -3.8975 -3.8975 -3.8481 -3.8481 2.8509 2.8509 7.8434 7.8434 8.1106 8.1106 10.4931 10.4931 10.7016 10.7016 11.2587 11.2587 11.5857 11.5857 13.2705 13.2705 14.8053 14.8053 14.8210 14.8210 k = 0.5000-0.5376-1.1242 ( 1884 PWs) bands (ev): -62.3796 -62.3796 -33.8372 -33.8372 -24.1342 -24.1342 -24.0345 -24.0345 -3.9784 -3.9784 -3.7668 -3.7668 2.8551 2.8551 7.7914 7.7914 8.1511 8.1511 10.5289 10.5289 10.6576 10.6576 11.2848 11.2848 11.5667 11.5667 13.2810 13.2810 14.7322 14.7322 14.9021 14.9021 k = 0.5000-0.5283-1.1396 ( 1884 PWs) bands (ev): -62.3797 -62.3797 -33.8371 -33.8371 -24.1360 -24.1360 -24.0319 -24.0319 -4.0612 -4.0612 -3.6835 -3.6835 2.8639 2.8639 7.7356 7.7356 8.1918 8.1918 10.5214 10.5214 10.6547 10.6547 11.3060 11.3060 11.5562 11.5562 13.2898 13.2898 14.6560 14.6560 14.9819 14.9819 k = 0.5000-0.5190-1.1551 ( 1882 PWs) bands (ev): -62.3798 -62.3798 -33.8368 -33.8368 -24.1384 -24.1384 -24.0281 -24.0281 -4.1457 -4.1457 -3.5982 -3.5982 2.8769 2.8769 7.6762 7.6762 8.2324 8.2324 10.4788 10.4788 10.6854 10.6854 11.3208 11.3208 11.5549 11.5549 13.2962 13.2962 14.5820 14.5820 15.0553 15.0553 k = 0.8178-0.4359-0.9973 ( 1882 PWs) bands (ev): -62.3798 -62.3798 -33.8368 -33.8368 -24.1384 -24.1384 -24.0281 -24.0281 -4.1457 -4.1457 -3.5982 -3.5982 2.8769 2.8769 7.6762 7.6762 8.2324 8.2324 10.4788 10.4788 10.6854 10.6854 11.3208 11.3208 11.5549 11.5549 13.2962 13.2962 14.5820 14.5820 15.0553 15.0553 k = 0.8133-0.4278-0.9820 ( 1880 PWs) bands (ev): -62.3799 -62.3799 -33.8364 -33.8364 -24.1414 -24.1414 -24.0233 -24.0233 -4.2315 -4.2315 -3.5110 -3.5110 2.8942 2.8942 7.6136 7.6136 8.2728 8.2728 10.4280 10.4280 10.7232 10.7232 11.3289 11.3289 11.5620 11.5620 13.2996 13.2996 14.5111 14.5111 15.1220 15.1220 k = 0.8087-0.4198-0.9666 ( 1880 PWs) bands (ev): -62.3801 -62.3801 -33.8359 -33.8359 -24.1446 -24.1446 -24.0178 -24.0178 -4.3186 -4.3186 -3.4219 -3.4219 2.9155 2.9155 7.5478 7.5478 8.3129 8.3129 10.3767 10.3767 10.7605 10.7605 11.3321 11.3321 11.5756 11.5756 13.2992 13.2992 14.4436 14.4436 15.1822 15.1822 k = 0.8042-0.4117-0.9512 ( 1876 PWs) bands (ev): -62.3804 -62.3804 -33.8353 -33.8353 -24.1479 -24.1479 -24.0116 -24.0116 -4.4069 -4.4069 -3.3308 -3.3308 2.9407 2.9407 7.4792 7.4792 8.3527 8.3527 10.3270 10.3270 10.7954 10.7954 11.3325 11.3325 11.5932 11.5932 13.2944 13.2944 14.3801 14.3801 15.2358 15.2358 k = 0.7996-0.4036-0.9358 ( 1876 PWs) bands (ev): -62.3806 -62.3806 -33.8345 -33.8345 -24.1513 -24.1513 -24.0049 -24.0049 -4.4962 -4.4962 -3.2376 -3.2376 2.9696 2.9696 7.4079 7.4079 8.3923 8.3923 10.2794 10.2794 10.8266 10.8266 11.3321 11.3321 11.6132 11.6132 13.2842 13.2842 14.3214 14.3214 15.2829 15.2829 k = 0.7951-0.3955-0.9205 ( 1878 PWs) bands (ev): -62.3810 -62.3810 -33.8337 -33.8337 -24.1545 -24.1545 -23.9979 -23.9979 -4.5865 -4.5865 -3.1425 -3.1425 3.0022 3.0022 7.3341 7.3341 8.4316 8.4316 10.2344 10.2344 10.8534 10.8534 11.3323 11.3323 11.6348 11.6348 13.2679 13.2679 14.2679 14.2679 15.3235 15.3235 k = 0.7906-0.3874-0.9051 ( 1880 PWs) bands (ev): -62.3813 -62.3813 -33.8327 -33.8327 -24.1575 -24.1575 -23.9905 -23.9905 -4.6775 -4.6775 -3.0454 -3.0454 3.0382 3.0382 7.2582 7.2582 8.4705 8.4705 10.1920 10.1920 10.8747 10.8747 11.3339 11.3339 11.6580 11.6580 13.2449 13.2449 14.2201 14.2201 15.3579 15.3579 k = 0.7860-0.3793-0.8897 ( 1886 PWs) bands (ev): -62.3818 -62.3818 -33.8317 -33.8317 -24.1602 -24.1602 -23.9829 -23.9829 -4.7690 -4.7690 -2.9464 -2.9464 3.0775 3.0775 7.1802 7.1802 8.5092 8.5092 10.1526 10.1526 10.8894 10.8894 11.3377 11.3377 11.6832 11.6832 13.2148 13.2148 14.1783 14.1783 15.3862 15.3862 k = 0.7815-0.3712-0.8743 ( 1882 PWs) bands (ev): -62.3822 -62.3822 -33.8304 -33.8304 -24.1627 -24.1627 -23.9749 -23.9749 -4.8610 -4.8610 -2.8454 -2.8454 3.1200 3.1200 7.1005 7.1005 8.5476 8.5476 10.1160 10.1160 10.8964 10.8964 11.3444 11.3444 11.7110 11.7110 13.1775 13.1775 14.1424 14.1424 15.4086 15.4086 k = 0.7769-0.3631-0.8590 ( 1888 PWs) bands (ev): -62.3827 -62.3827 -33.8291 -33.8291 -24.1648 -24.1648 -23.9668 -23.9668 -4.9533 -4.9533 -2.7425 -2.7425 3.1655 3.1655 7.0191 7.0191 8.5857 8.5857 10.0824 10.0824 10.8947 10.8947 11.3544 11.3544 11.7420 11.7420 13.1334 13.1334 14.1122 14.1122 15.4253 15.4253 k = 0.7724-0.3550-0.8436 ( 1882 PWs) bands (ev): -62.3833 -62.3833 -33.8276 -33.8276 -24.1666 -24.1666 -23.9585 -23.9585 -5.0458 -5.0458 -2.6377 -2.6377 3.2139 3.2139 6.9364 6.9364 8.6237 8.6237 10.0518 10.0518 10.8836 10.8836 11.3683 11.3683 11.7765 11.7765 13.0830 13.0830 14.0871 14.0871 15.4367 15.4367 k = 0.7679-0.3469-0.8282 ( 1880 PWs) bands (ev): -62.3839 -62.3839 -33.8260 -33.8260 -24.1679 -24.1679 -23.9500 -23.9500 -5.1383 -5.1383 -2.5310 -2.5310 3.2650 3.2650 6.8525 6.8525 8.6615 8.6615 10.0242 10.0242 10.8628 10.8628 11.3863 11.3863 11.8147 11.8147 13.0268 13.0268 14.0664 14.0664 15.4430 15.4430 k = 0.7633-0.3388-0.8128 ( 1884 PWs) bands (ev): -62.3846 -62.3846 -33.8243 -33.8243 -24.1689 -24.1689 -23.9414 -23.9414 -5.2308 -5.2308 -2.4224 -2.4224 3.3187 3.3187 6.7676 6.7676 8.6993 8.6993 9.9998 9.9998 10.8326 10.8326 11.4085 11.4085 11.8565 11.8565 12.9657 12.9657 14.0494 14.0494 15.4446 15.4446 k = 0.7588-0.3307-0.7975 ( 1880 PWs) bands (ev): -62.3853 -62.3853 -33.8224 -33.8224 -24.1695 -24.1695 -23.9326 -23.9326 -5.3230 -5.3230 -2.3120 -2.3120 3.3749 3.3749 6.6819 6.6819 8.7370 8.7370 9.9783 9.9783 10.7936 10.7936 11.4347 11.4347 11.9016 11.9016 12.9005 12.9005 14.0353 14.0353 15.4416 15.4416 k = 0.7542-0.3226-0.7821 ( 1878 PWs) bands (ev): -62.3860 -62.3860 -33.8204 -33.8204 -24.1697 -24.1697 -23.9237 -23.9237 -5.4150 -5.4150 -2.1997 -2.1997 3.4333 3.4333 6.5956 6.5956 8.7749 8.7749 9.9600 9.9600 10.7464 10.7464 11.4646 11.4646 11.9497 11.9497 12.8320 12.8320 14.0235 14.0235 15.4345 15.4345 k = 0.7497-0.3145-0.7667 ( 1874 PWs) bands (ev): -62.3868 -62.3868 -33.8182 -33.8182 -24.1694 -24.1694 -23.9146 -23.9146 -5.5065 -5.5065 -2.0857 -2.0857 3.4939 3.4939 6.5087 6.5087 8.8130 8.8130 9.9448 9.9448 10.6919 10.6919 11.4979 11.4979 12.0002 12.0002 12.7609 12.7609 14.0134 14.0134 15.4237 15.4237 k = 0.7452-0.3064-0.7513 ( 1874 PWs) bands (ev): -62.3877 -62.3877 -33.8160 -33.8160 -24.1688 -24.1688 -23.9055 -23.9055 -5.5976 -5.5976 -1.9698 -1.9698 3.5566 3.5566 6.4215 6.4215 8.8514 8.8514 9.9326 9.9326 10.6309 10.6309 11.5343 11.5343 12.0527 12.0527 12.6878 12.6878 14.0046 14.0046 15.4093 15.4093 k = 0.7406-0.2983-0.7360 ( 1876 PWs) bands (ev): -62.3886 -62.3886 -33.8136 -33.8136 -24.1678 -24.1678 -23.8962 -23.8962 -5.6880 -5.6880 -1.8522 -1.8522 3.6211 3.6211 6.3340 6.3340 8.8901 8.8901 9.9235 9.9235 10.5641 10.5641 11.5736 11.5736 12.1062 12.1062 12.6137 12.6137 13.9966 13.9966 15.3917 15.3917 k = 0.7361-0.2902-0.7206 ( 1878 PWs) bands (ev): -62.3895 -62.3895 -33.8111 -33.8111 -24.1664 -24.1664 -23.8868 -23.8868 -5.7777 -5.7777 -1.7328 -1.7328 3.6874 3.6874 6.2465 6.2465 8.9293 8.9293 9.9176 9.9176 10.4922 10.4922 11.6155 11.6155 12.1597 12.1597 12.5397 12.5397 13.9891 13.9891 15.3713 15.3713 k = 0.7315-0.2822-0.7052 ( 1878 PWs) bands (ev): -62.3905 -62.3905 -33.8085 -33.8085 -24.1647 -24.1647 -23.8772 -23.8772 -5.8667 -5.8667 -1.6118 -1.6118 3.7553 3.7553 6.1591 6.1591 8.9691 8.9691 9.9146 9.9146 10.4157 10.4157 11.6596 11.6596 12.2102 12.2102 12.4688 12.4688 13.9820 13.9820 15.3483 15.3483 k = 0.7270-0.2741-0.6898 ( 1880 PWs) bands (ev): -62.3915 -62.3915 -33.8058 -33.8058 -24.1626 -24.1626 -23.8675 -23.8675 -5.9548 -5.9548 -1.4890 -1.4890 3.8248 3.8248 6.0719 6.0719 9.0096 9.0096 9.9147 9.9147 10.3352 10.3352 11.7057 11.7057 12.2470 12.2470 12.4117 12.4117 13.9749 13.9749 15.3230 15.3230 k = 0.7225-0.2660-0.6745 ( 1886 PWs) bands (ev): -62.3926 -62.3926 -33.8029 -33.8029 -24.1601 -24.1601 -23.8577 -23.8577 -6.0421 -6.0421 -1.3647 -1.3647 3.8956 3.8956 5.9850 5.9850 9.0508 9.0508 9.9179 9.9179 10.2511 10.2511 11.7534 11.7534 12.2380 12.2380 12.4007 12.4007 13.9678 13.9678 15.2957 15.2957 k = 0.7179-0.2579-0.6591 ( 1884 PWs) bands (ev): -62.3937 -62.3937 -33.8000 -33.8000 -24.1574 -24.1574 -23.8478 -23.8478 -6.1283 -6.1283 -1.2387 -1.2387 3.9677 3.9677 5.8985 5.8985 9.0928 9.0928 9.9240 9.9240 10.1639 10.1639 11.8019 11.8019 12.1817 12.1817 12.4376 12.4376 13.9606 13.9606 15.2667 15.2667 k = 0.7134-0.2498-0.6437 ( 1886 PWs) bands (ev): -62.3948 -62.3948 -33.7969 -33.7969 -24.1543 -24.1543 -23.8377 -23.8377 -6.2134 -6.2134 -1.1111 -1.1111 4.0409 4.0409 5.8126 5.8126 9.1358 9.1358 9.9330 9.9330 10.0740 10.0740 11.8495 11.8495 12.1119 12.1119 12.4901 12.4901 13.9531 13.9531 15.2362 15.2362 k = 0.7088-0.2417-0.6283 ( 1884 PWs) bands (ev): -62.3960 -62.3960 -33.7937 -33.7937 -24.1509 -24.1509 -23.8275 -23.8275 -6.2974 -6.2974 -0.9820 -0.9820 4.1151 4.1151 5.7274 5.7274 9.1798 9.1798 9.9442 9.9442 9.9824 9.9824 11.8899 11.8899 12.0458 12.0458 12.5469 12.5469 13.9453 13.9453 15.2044 15.2044 k = 0.7043-0.2336-0.6130 ( 1886 PWs) bands (ev): -62.3972 -62.3972 -33.7905 -33.7905 -24.1473 -24.1473 -23.8171 -23.8171 -6.3802 -6.3802 -0.8514 -0.8514 4.1902 4.1902 5.6429 5.6429 9.2248 9.2248 9.8861 9.8861 9.9609 9.9609 11.8916 11.8916 12.0173 12.0173 12.6052 12.6052 13.9372 13.9372 15.1714 15.1714 k = 0.6998-0.2255-0.5976 ( 1888 PWs) bands (ev): -62.3985 -62.3985 -33.7871 -33.7871 -24.1435 -24.1435 -23.8066 -23.8066 -6.4618 -6.4618 -0.7194 -0.7194 4.2660 4.2660 5.5594 5.5594 9.2710 9.2710 9.7900 9.7900 9.9784 9.9784 11.8340 11.8340 12.0480 12.0480 12.6639 12.6639 13.9286 13.9286 15.1375 15.1375 k = 0.6952-0.2174-0.5822 ( 1888 PWs) bands (ev): -62.3998 -62.3998 -33.7837 -33.7837 -24.1394 -24.1394 -23.7960 -23.7960 -6.5421 -6.5421 -0.5860 -0.5860 4.3424 4.3424 5.4768 5.4768 9.3183 9.3183 9.6921 9.6921 9.9990 9.9990 11.7573 11.7573 12.0979 12.0979 12.7225 12.7225 13.9196 13.9196 15.1026 15.1026 k = 0.6907-0.2093-0.5668 ( 1886 PWs) bands (ev): -62.4011 -62.4011 -33.7802 -33.7802 -24.1352 -24.1352 -23.7851 -23.7851 -6.6211 -6.6211 -0.4513 -0.4513 4.4194 4.4194 5.3953 5.3953 9.3667 9.3667 9.5929 9.5929 10.0224 10.0224 11.6755 11.6755 12.1527 12.1527 12.7805 12.7805 13.9101 13.9101 15.0663 15.0663 k = 0.6861-0.2012-0.5515 ( 1890 PWs) bands (ev): -62.4024 -62.4024 -33.7766 -33.7766 -24.1308 -24.1308 -23.7742 -23.7742 -6.6986 -6.6986 -0.3153 -0.3153 4.4967 4.4967 5.3151 5.3151 9.4163 9.4163 9.4926 9.4926 10.0484 10.0484 11.5917 11.5917 12.2096 12.2096 12.8377 12.8377 13.8999 13.8999 15.0274 15.0274 k = 0.6816-0.1931-0.5361 ( 1892 PWs) bands (ev): -62.4038 -62.4038 -33.7730 -33.7730 -24.1263 -24.1263 -23.7630 -23.7630 -6.7748 -6.7748 -0.1781 -0.1781 4.5743 4.5743 5.2361 5.2361 9.3909 9.3909 9.4676 9.4676 10.0772 10.0772 11.5066 11.5066 12.2676 12.2676 12.8938 12.8938 13.8891 13.8891 14.9786 14.9786 k = 0.6771-0.1850-0.5207 ( 1892 PWs) bands (ev): -62.4051 -62.4051 -33.7693 -33.7693 -24.1216 -24.1216 -23.7518 -23.7518 -6.8494 -6.8494 -0.0399 -0.0399 4.6520 4.6520 5.1586 5.1586 9.2891 9.2891 9.5197 9.5197 10.1085 10.1085 11.4205 11.4205 12.3261 12.3261 12.9487 12.9487 13.8772 13.8772 14.8863 14.8863 k = 0.6725-0.1769-0.5054 ( 1892 PWs) bands (ev): -62.4065 -62.4065 -33.7655 -33.7655 -24.1169 -24.1169 -23.7404 -23.7404 -6.9225 -6.9225 0.0994 0.0994 4.7297 4.7297 5.0827 5.0827 9.1867 9.1867 9.5731 9.5731 10.1423 10.1423 11.3336 11.3336 12.3850 12.3850 13.0021 13.0021 13.8639 13.8639 14.7471 14.7471 k = 0.6680-0.1688-0.4900 ( 1892 PWs) bands (ev): -62.4079 -62.4079 -33.7617 -33.7617 -24.1121 -24.1121 -23.7288 -23.7288 -6.9941 -6.9941 0.2396 0.2396 4.8072 4.8072 5.0085 5.0085 9.0841 9.0841 9.6278 9.6278 10.1785 10.1785 11.2460 11.2460 12.4440 12.4440 13.0538 13.0538 13.8485 13.8485 14.6012 14.6012 k = 0.6634-0.1607-0.4746 ( 1892 PWs) bands (ev): -62.4094 -62.4094 -33.7579 -33.7579 -24.1073 -24.1073 -23.7171 -23.7171 -7.0641 -7.0641 0.3805 0.3805 4.8843 4.8843 4.9363 4.9363 8.9813 8.9813 9.6836 9.6836 10.2170 10.2170 11.1575 11.1575 12.5029 12.5029 13.1036 13.1036 13.8296 13.8296 14.4601 14.4601 k = 0.6589-0.1526-0.4592 ( 1888 PWs) bands (ev): -62.4108 -62.4108 -33.7541 -33.7541 -24.1024 -24.1024 -23.7053 -23.7053 -7.1325 -7.1325 0.5221 0.5221 4.8656 4.8656 4.9615 4.9615 8.8788 8.8788 9.7407 9.7407 10.2578 10.2578 11.0683 11.0683 12.5613 12.5613 13.1512 13.1512 13.8047 13.8047 14.3287 14.3287 k = 0.6544-0.1446-0.4439 ( 1890 PWs) bands (ev): -62.4122 -62.4122 -33.7502 -33.7502 -24.0976 -24.0976 -23.6933 -23.6933 -7.1993 -7.1993 0.6642 0.6642 4.7975 4.7975 5.0379 5.0379 8.7765 8.7765 9.7988 9.7988 10.3006 10.3006 10.9783 10.9783 12.6193 12.6193 13.1964 13.1964 13.7697 13.7697 14.2122 14.2122 k = 0.6498-0.1365-0.4285 ( 1894 PWs) bands (ev): -62.4137 -62.4137 -33.7464 -33.7464 -24.0928 -24.0928 -23.6813 -23.6813 -7.2643 -7.2643 0.8066 0.8066 4.7317 4.7317 5.1136 5.1136 8.6747 8.6747 9.8580 9.8580 10.3452 10.3452 10.8876 10.8876 12.6764 12.6764 13.2388 13.2388 13.7187 13.7187 14.1173 14.1173 k = 0.6453-0.1284-0.4131 ( 1894 PWs) bands (ev): -62.4151 -62.4151 -33.7425 -33.7425 -24.0880 -24.0880 -23.6691 -23.6691 -7.3277 -7.3277 0.9491 0.9491 4.6685 4.6685 5.1886 5.1886 8.5737 8.5737 9.9182 9.9182 10.3914 10.3914 10.7964 10.7964 12.7325 12.7325 13.2779 13.2779 13.6479 13.6479 14.0488 14.0488 k = 0.6407-0.1203-0.3977 ( 1896 PWs) bands (ev): -62.4165 -62.4165 -33.7386 -33.7386 -24.0834 -24.0834 -23.6569 -23.6569 -7.3893 -7.3893 1.0914 1.0914 4.6082 4.6082 5.2627 5.2627 8.4735 8.4735 9.9792 9.9792 10.4381 10.4381 10.7054 10.7054 12.7871 12.7871 13.3123 13.3123 13.5606 13.5606 14.0051 14.0051 k = 0.6362-0.1122-0.3824 ( 1896 PWs) bands (ev): -62.4180 -62.4180 -33.7348 -33.7348 -24.0787 -24.0787 -23.6447 -23.6447 -7.4492 -7.4492 1.2333 1.2333 4.5511 4.5511 5.3357 5.3357 8.3744 8.3744 10.0410 10.0410 10.4809 10.4809 10.6188 10.6188 12.8397 12.8397 13.3364 13.3364 13.4699 13.4699 13.9795 13.9795 k = 0.6317-0.1041-0.3670 ( 1892 PWs) bands (ev): -62.4194 -62.4194 -33.7310 -33.7310 -24.0742 -24.0742 -23.6324 -23.6324 -7.5073 -7.5073 1.3743 1.3743 4.4975 4.4975 5.4077 5.4077 8.2766 8.2766 10.1033 10.1033 10.4801 10.4801 10.5763 10.5763 12.8890 12.8890 13.3140 13.3140 13.4192 13.4192 13.9659 13.9659 k = 0.6271-0.0960-0.3516 ( 1902 PWs) bands (ev): -62.4208 -62.4208 -33.7272 -33.7272 -24.0698 -24.0698 -23.6201 -23.6201 -7.5636 -7.5636 1.5140 1.5140 4.4479 4.4479 5.4783 5.4783 8.1802 8.1802 10.1657 10.1657 10.4012 10.4012 10.6125 10.6125 12.9320 12.9320 13.2313 13.2313 13.4293 13.4293 13.9604 13.9604 k = 0.6226-0.0879-0.3362 ( 1902 PWs) bands (ev): -62.4222 -62.4222 -33.7235 -33.7235 -24.0655 -24.0655 -23.6078 -23.6078 -7.6181 -7.6181 1.6518 1.6518 4.4029 4.4029 5.5477 5.5477 8.0855 8.0855 10.2253 10.2253 10.3099 10.3099 10.6641 10.6641 12.9579 12.9579 13.1512 13.1512 13.4503 13.4503 13.9608 13.9608 k = 0.6180-0.0798-0.3209 ( 1910 PWs) bands (ev): -62.4236 -62.4236 -33.7198 -33.7198 -24.0614 -24.0614 -23.5956 -23.5956 -7.6707 -7.6707 1.7872 1.7872 4.3630 4.3630 5.6155 5.6155 7.9925 7.9925 10.1994 10.1994 10.3004 10.3004 10.7193 10.7193 12.9356 12.9356 13.1167 13.1167 13.4717 13.4717 13.9657 13.9657 k = 0.6135-0.0717-0.3055 ( 1912 PWs) bands (ev): -62.4250 -62.4250 -33.7162 -33.7162 -24.0574 -24.0574 -23.5834 -23.5834 -7.7215 -7.7215 1.9193 1.9193 4.3292 4.3292 5.6817 5.6817 7.9015 7.9015 10.1007 10.1007 10.3612 10.3612 10.7764 10.7764 12.8628 12.8628 13.1325 13.1325 13.4921 13.4921 13.9743 13.9743 k = 0.6090-0.0636-0.2901 ( 1912 PWs) bands (ev): -62.4263 -62.4263 -33.7127 -33.7127 -24.0535 -24.0535 -23.5713 -23.5713 -7.7704 -7.7704 2.0472 2.0472 4.3022 4.3022 5.7462 5.7462 7.8126 7.8126 9.9973 9.9973 10.4244 10.4244 10.8347 10.8347 12.7747 12.7747 13.1639 13.1639 13.5119 13.5119 13.9857 13.9857 k = 0.6044-0.0555-0.2747 ( 1910 PWs) bands (ev): -62.4276 -62.4276 -33.7092 -33.7092 -24.0498 -24.0498 -23.5594 -23.5594 -7.8174 -7.8174 2.1697 2.1697 4.2833 4.2833 5.8088 5.8088 7.7261 7.7261 9.8914 9.8914 10.4876 10.4876 10.8940 10.8940 12.6849 12.6849 13.1969 13.1969 13.5318 13.5318 13.9993 13.9993 k = 0.5999-0.0474-0.2594 ( 1912 PWs) bands (ev): -62.4289 -62.4289 -33.7058 -33.7058 -24.0462 -24.0462 -23.5477 -23.5477 -7.8625 -7.8625 2.2855 2.2855 4.2737 4.2737 5.8695 5.8695 7.6420 7.6420 9.7832 9.7832 10.5503 10.5503 10.9540 10.9540 12.5973 12.5973 13.2275 13.2275 13.5528 13.5528 14.0145 14.0145 k = 0.5953-0.0393-0.2440 ( 1910 PWs) bands (ev): -62.4301 -62.4301 -33.7025 -33.7025 -24.0428 -24.0428 -23.5361 -23.5361 -7.9057 -7.9057 2.3932 2.3932 4.2749 4.2749 5.9282 5.9282 7.5606 7.5606 9.6728 9.6728 10.6123 10.6123 11.0144 11.0144 12.5134 12.5134 13.2539 13.2539 13.5757 13.5757 14.0308 14.0308 k = 0.5908-0.0312-0.2286 ( 1906 PWs) bands (ev): -62.4313 -62.4313 -33.6993 -33.6993 -24.0395 -24.0395 -23.5247 -23.5247 -7.9470 -7.9470 2.4913 2.4913 4.2883 4.2883 5.9848 5.9848 7.4819 7.4819 9.5600 9.5600 10.6730 10.6730 11.0751 11.0751 12.4337 12.4337 13.2754 13.2754 13.6012 13.6012 14.0477 14.0477 k = 0.5863-0.0231-0.2132 ( 1904 PWs) bands (ev): -62.4324 -62.4324 -33.6961 -33.6961 -24.0364 -24.0364 -23.5137 -23.5137 -7.9863 -7.9863 2.5783 2.5783 4.3153 4.3153 6.0392 6.0392 7.4061 7.4061 9.4450 9.4450 10.7323 10.7323 11.1357 11.1357 12.3587 12.3587 13.2919 13.2919 13.6295 13.6295 14.0647 14.0647 k = 0.5817-0.0150-0.1979 ( 1900 PWs) bands (ev): -62.4336 -62.4336 -33.6931 -33.6931 -24.0335 -24.0335 -23.5029 -23.5029 -8.0237 -8.0237 2.6532 2.6532 4.3569 4.3569 6.0912 6.0912 7.3334 7.3334 9.3276 9.3276 10.7897 10.7897 11.1962 11.1962 12.2887 12.2887 13.3038 13.3038 13.6602 13.6602 14.0815 14.0815 k = 0.5772-0.0069-0.1825 ( 1900 PWs) bands (ev): -62.4346 -62.4346 -33.6903 -33.6903 -24.0307 -24.0307 -23.4925 -23.4925 -8.0591 -8.0591 2.7156 2.7156 4.4134 4.4134 6.1408 6.1408 7.2638 7.2638 9.2080 9.2080 10.8448 10.8448 11.2562 11.2562 12.2239 12.2239 13.3115 13.3115 13.6931 13.6931 14.0976 14.0976 k = 0.5726 0.0011-0.1671 ( 1900 PWs) bands (ev): -62.4357 -62.4357 -33.6875 -33.6875 -24.0281 -24.0281 -23.4825 -23.4825 -8.0926 -8.0926 2.7655 2.7655 4.4848 4.4848 6.1880 6.1880 7.1975 7.1975 9.0861 9.0861 10.8973 10.8973 11.3155 11.3155 12.1645 12.1645 13.3158 13.3158 13.7275 13.7275 14.1128 14.1128 k = 0.5681 0.0092-0.1517 ( 1896 PWs) bands (ev): -62.4366 -62.4366 -33.6849 -33.6849 -24.0257 -24.0257 -23.4729 -23.4729 -8.1240 -8.1240 2.8039 2.8039 4.5700 4.5700 6.2327 6.2327 7.1346 7.1346 8.9620 8.9620 10.9465 10.9465 11.3737 11.3737 12.1108 12.1108 13.3175 13.3175 13.7627 13.7627 14.1266 14.1266 k = 0.5636 0.0173-0.1364 ( 1894 PWs) bands (ev): -62.4376 -62.4376 -33.6824 -33.6824 -24.0234 -24.0234 -23.4637 -23.4637 -8.1535 -8.1535 2.8321 2.8321 4.6676 4.6676 6.2747 6.2747 7.0751 7.0751 8.8357 8.8357 10.9921 10.9921 11.4307 11.4307 12.0630 12.0630 13.3170 13.3170 13.7983 13.7983 14.1389 14.1389 k = 0.5590 0.0254-0.1210 ( 1894 PWs) bands (ev): -62.4384 -62.4384 -33.6801 -33.6801 -24.0213 -24.0213 -23.4550 -23.4550 -8.1810 -8.1810 2.8516 2.8516 4.7760 4.7760 6.3141 6.3141 7.0192 7.0192 8.7075 8.7075 11.0335 11.0335 11.4860 11.4860 12.0213 12.0213 13.3150 13.3150 13.8336 13.8336 14.1493 14.1493 k = 0.5545 0.0335-0.1056 ( 1894 PWs) bands (ev): -62.4393 -62.4393 -33.6780 -33.6780 -24.0194 -24.0194 -23.4468 -23.4468 -8.2064 -8.2064 2.8641 2.8641 4.8932 4.8932 6.3508 6.3508 6.9668 6.9668 8.5775 8.5775 11.0705 11.0705 11.5393 11.5393 11.9858 11.9858 13.3118 13.3118 13.8683 13.8683 14.1575 14.1575 k = 0.5499 0.0416-0.0902 ( 1896 PWs) bands (ev): -62.4400 -62.4400 -33.6760 -33.6760 -24.0176 -24.0176 -23.4392 -23.4392 -8.2299 -8.2299 2.8711 2.8711 5.0176 5.0176 6.3847 6.3847 6.9181 6.9181 8.4460 8.4460 11.1026 11.1026 11.5902 11.5902 11.9566 11.9566 13.3077 13.3077 13.9020 13.9020 14.1634 14.1634 k = 0.5454 0.0497-0.0749 ( 1898 PWs) bands (ev): -62.4407 -62.4407 -33.6741 -33.6741 -24.0160 -24.0160 -23.4321 -23.4321 -8.2513 -8.2513 2.8740 2.8740 5.1476 5.1476 6.4158 6.4158 6.8731 6.8731 8.3133 8.3133 11.1297 11.1297 11.6384 11.6384 11.9336 11.9336 13.3031 13.3031 13.9342 13.9342 14.1670 14.1670 k = 0.5409 0.0578-0.0595 ( 1896 PWs) bands (ev): -62.4414 -62.4414 -33.6724 -33.6724 -24.0145 -24.0145 -23.4257 -23.4257 -8.2707 -8.2707 2.8740 2.8740 5.2817 5.2817 6.4440 6.4440 6.8315 6.8315 8.1798 8.1798 11.1517 11.1517 11.6833 11.6833 11.9165 11.9165 13.2982 13.2982 13.9646 13.9646 14.1683 14.1683 k = 0.5363 0.0659-0.0441 ( 1900 PWs) bands (ev): -62.4419 -62.4419 -33.6709 -33.6709 -24.0133 -24.0133 -23.4198 -23.4198 -8.2881 -8.2881 2.8720 2.8720 5.4183 5.4183 6.4694 6.4694 6.7935 6.7935 8.0463 8.0463 11.1689 11.1689 11.7245 11.7245 11.9051 11.9051 13.2931 13.2931 13.9928 13.9928 14.1675 14.1675 k = 0.5318 0.0740-0.0288 ( 1904 PWs) bands (ev): -62.4425 -62.4425 -33.6696 -33.6696 -24.0121 -24.0121 -23.4146 -23.4146 -8.3034 -8.3034 2.8687 2.8687 5.5563 5.5563 6.4918 6.4918 6.7587 6.7587 7.9135 7.9135 11.1818 11.1818 11.7612 11.7612 11.8989 11.8989 13.2881 13.2881 14.0184 14.0184 14.1647 14.1647 k = 0.5272 0.0821-0.0134 ( 1906 PWs) bands (ev): -62.4429 -62.4429 -33.6684 -33.6684 -24.0111 -24.0111 -23.4100 -23.4100 -8.3167 -8.3167 2.8649 2.8649 5.6941 5.6941 6.5113 6.5113 6.7268 6.7268 7.7828 7.7828 11.1910 11.1910 11.7928 11.7928 11.8972 11.8972 13.2833 13.2833 14.0411 14.0411 14.1596 14.1596 k = 0.5227 0.0902 0.0020 ( 1908 PWs) bands (ev): -62.4433 -62.4433 -33.6674 -33.6674 -24.0103 -24.0103 -23.4061 -23.4061 -8.3280 -8.3280 2.8609 2.8609 5.8300 5.8300 6.5278 6.5278 6.6973 6.6973 7.6562 7.6562 11.1972 11.1972 11.8184 11.8184 11.8997 11.8997 13.2790 13.2790 14.0605 14.0605 14.1513 14.1513 k = 0.5182 0.0983 0.0174 ( 1908 PWs) bands (ev): -62.4436 -62.4436 -33.6666 -33.6666 -24.0096 -24.0096 -23.4029 -23.4029 -8.3372 -8.3372 2.8572 2.8572 5.9615 5.9615 6.5413 6.5413 6.6689 6.6689 7.5368 7.5368 11.2011 11.2011 11.8374 11.8374 11.9057 11.9057 13.2752 13.2752 14.0765 14.0765 14.1399 14.1399 k = 0.5136 0.1064 0.0327 ( 1906 PWs) bands (ev): -62.4438 -62.4438 -33.6659 -33.6659 -24.0091 -24.0091 -23.4004 -23.4004 -8.3443 -8.3443 2.8540 2.8540 6.0852 6.0852 6.5517 6.5517 6.6405 6.6405 7.4293 7.4293 11.2034 11.2034 11.8502 11.8502 11.9137 11.9137 13.2720 13.2720 14.0886 14.0886 14.1280 14.1280 k = 0.5091 0.1145 0.0481 ( 1906 PWs) bands (ev): -62.4440 -62.4440 -33.6655 -33.6655 -24.0087 -24.0087 -23.3986 -23.3986 -8.3495 -8.3495 2.8516 2.8516 6.1949 6.1949 6.5589 6.5589 6.6107 6.6107 7.3409 7.3409 11.2047 11.2047 11.8580 11.8580 11.9214 11.9214 13.2697 13.2697 14.0965 14.0965 14.1189 14.1189 k = 0.5045 0.1226 0.0635 ( 1910 PWs) bands (ev): -62.4441 -62.4441 -33.6652 -33.6652 -24.0085 -24.0085 -23.3975 -23.3975 -8.3525 -8.3525 2.8501 2.8501 6.2788 6.2788 6.5617 6.5617 6.5828 6.5828 7.2814 7.2814 11.2052 11.2052 11.8621 11.8621 11.9268 11.9268 13.2683 13.2683 14.0999 14.0999 14.1144 14.1144 k = 0.5000 0.1307 0.0789 ( 1914 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0085 -24.0085 -23.3972 -23.3972 -8.3536 -8.3536 2.8496 2.8496 6.3131 6.3131 6.5585 6.5585 6.5727 6.5727 7.2602 7.2602 11.2054 11.2054 11.8634 11.8634 11.9288 11.9288 13.2678 13.2678 14.1004 14.1004 14.1136 14.1136 k = 0.5000 0.1307 0.0789 ( 1914 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0085 -24.0085 -23.3972 -23.3972 -8.3536 -8.3536 2.8496 2.8496 6.3131 6.3131 6.5585 6.5585 6.5727 6.5727 7.2602 7.2602 11.2054 11.2054 11.8634 11.8634 11.9288 11.9288 13.2678 13.2678 14.1004 14.1004 14.1136 14.1136 k = 0.4828 0.1261 0.0761 ( 1914 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0084 -24.0084 -23.3972 -23.3972 -8.3537 -8.3537 2.8513 2.8513 6.3114 6.3114 6.5584 6.5584 6.5726 6.5726 7.2603 7.2603 11.2055 11.2055 11.8636 11.8636 11.9248 11.9248 13.2692 13.2692 14.1001 14.1001 14.1135 14.1135 k = 0.4655 0.1216 0.0734 ( 1902 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0084 -24.0084 -23.3971 -23.3971 -8.3540 -8.3540 2.8566 2.8566 6.3065 6.3065 6.5584 6.5584 6.5726 6.5726 7.2604 7.2604 11.2058 11.2058 11.8639 11.8639 11.9130 11.9130 13.2732 13.2732 14.0992 14.0992 14.1132 14.1132 k = 0.4483 0.1171 0.0707 ( 1908 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0084 -24.0084 -23.3971 -23.3971 -8.3546 -8.3546 2.8652 2.8652 6.2982 6.2982 6.5582 6.5582 6.5723 6.5723 7.2607 7.2607 11.2062 11.2062 11.8646 11.8646 11.8935 11.8935 13.2799 13.2799 14.0978 14.0978 14.1128 14.1128 k = 0.4310 0.1126 0.0680 ( 1905 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0084 -24.0084 -23.3971 -23.3971 -8.3554 -8.3554 2.8773 2.8773 6.2866 6.2866 6.5579 6.5579 6.5721 6.5721 7.2611 7.2611 11.2069 11.2069 11.8654 11.8654 11.8669 11.8669 13.2890 13.2890 14.0959 14.0959 14.1122 14.1122 k = 0.4138 0.1081 0.0653 ( 1905 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0084 -24.0084 -23.3971 -23.3971 -8.3565 -8.3565 2.8927 2.8927 6.2717 6.2717 6.5575 6.5575 6.5717 6.5717 7.2618 7.2618 11.2077 11.2077 11.8335 11.8335 11.8666 11.8666 13.3004 13.3004 14.0935 14.0935 14.1113 14.1113 k = 0.3966 0.1036 0.0625 ( 1911 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0084 -24.0084 -23.3971 -23.3971 -8.3577 -8.3577 2.9113 2.9113 6.2534 6.2534 6.5571 6.5571 6.5713 6.5713 7.2629 7.2629 11.2087 11.2087 11.7942 11.7942 11.8679 11.8679 13.3140 13.3140 14.0909 14.0909 14.1104 14.1104 k = 0.3793 0.0991 0.0598 ( 1911 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0084 -24.0084 -23.3971 -23.3971 -8.3591 -8.3591 2.9331 2.9331 6.2320 6.2320 6.5567 6.5567 6.5708 6.5708 7.2643 7.2643 11.2098 11.2098 11.7496 11.7496 11.8694 11.8694 13.3295 13.3295 14.0881 14.0881 14.1092 14.1092 k = 0.3621 0.0946 0.0571 ( 1911 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0083 -24.0083 -23.3971 -23.3971 -8.3607 -8.3607 2.9579 2.9579 6.2073 6.2073 6.5561 6.5561 6.5703 6.5703 7.2661 7.2661 11.2111 11.2111 11.7005 11.7005 11.8711 11.8711 13.3468 13.3468 14.0853 14.0853 14.1079 14.1079 k = 0.3448 0.0901 0.0544 ( 1911 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0083 -24.0083 -23.3971 -23.3971 -8.3624 -8.3624 2.9856 2.9856 6.1795 6.1795 6.5556 6.5556 6.5697 6.5697 7.2685 7.2685 11.2124 11.2124 11.6477 11.6477 11.8730 11.8730 13.3656 13.3656 14.0825 14.0825 14.1065 14.1065 k = 0.3276 0.0856 0.0517 ( 1917 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0083 -24.0083 -23.3971 -23.3971 -8.3643 -8.3643 3.0161 3.0161 6.1488 6.1488 6.5549 6.5549 6.5690 6.5690 7.2715 7.2715 11.2139 11.2139 11.5919 11.5919 11.8751 11.8751 13.3857 13.3857 14.0798 14.0798 14.1049 14.1049 k = 0.3103 0.0811 0.0490 ( 1917 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0082 -24.0082 -23.3971 -23.3971 -8.3663 -8.3663 3.0490 3.0490 6.1152 6.1152 6.5543 6.5543 6.5683 6.5683 7.2750 7.2750 11.2155 11.2155 11.5341 11.5341 11.8772 11.8772 13.4068 13.4068 14.0774 14.0774 14.1032 14.1032 k = 0.2931 0.0766 0.0462 ( 1912 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0082 -24.0082 -23.3971 -23.3971 -8.3683 -8.3683 3.0842 3.0842 6.0791 6.0791 6.5536 6.5536 6.5676 6.5676 7.2791 7.2791 11.2172 11.2172 11.4748 11.4748 11.8795 11.8795 13.4288 13.4288 14.0752 14.0752 14.1014 14.1014 k = 0.2759 0.0721 0.0435 ( 1906 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0081 -24.0081 -23.3971 -23.3971 -8.3704 -8.3704 3.1215 3.1215 6.0406 6.0406 6.5529 6.5529 6.5669 6.5669 7.2838 7.2838 11.2189 11.2189 11.4150 11.4150 11.8818 11.8818 13.4512 13.4512 14.0733 14.0733 14.0996 14.0996 k = 0.2586 0.0676 0.0408 ( 1906 PWs) bands (ev): -62.4441 -62.4441 -33.6651 -33.6651 -24.0081 -24.0081 -23.3971 -23.3971 -8.3726 -8.3726 3.1606 3.1606 6.0000 6.0000 6.5522 6.5522 6.5661 6.5661 7.2889 7.2889 11.2206 11.2206 11.3551 11.3551 11.8842 11.8842 13.4740 13.4740 14.0717 14.0717 14.0976 14.0976 k = 0.2414 0.0631 0.0381 ( 1900 PWs) bands (ev): -62.4441 -62.4441 -33.6650 -33.6650 -24.0080 -24.0080 -23.3971 -23.3971 -8.3748 -8.3748 3.2011 3.2011 5.9578 5.9578 6.5515 6.5515 6.5654 6.5654 7.2945 7.2945 11.2223 11.2223 11.2960 11.2960 11.8866 11.8866 13.4968 13.4968 14.0704 14.0704 14.0957 14.0957 k = 0.2241 0.0586 0.0354 ( 1897 PWs) bands (ev): -62.4441 -62.4441 -33.6650 -33.6650 -24.0079 -24.0079 -23.3971 -23.3971 -8.3769 -8.3769 3.2427 3.2427 5.9142 5.9142 6.5507 6.5507 6.5647 6.5647 7.3005 7.3005 11.2241 11.2241 11.2383 11.2383 11.8890 11.8890 13.5194 13.5194 14.0692 14.0692 14.0937 14.0937 k = 0.2069 0.0541 0.0326 ( 1891 PWs) bands (ev): -62.4441 -62.4441 -33.6650 -33.6650 -24.0079 -24.0079 -23.3971 -23.3971 -8.3790 -8.3790 3.2849 3.2849 5.8698 5.8698 6.5500 6.5500 6.5639 6.5639 7.3067 7.3067 11.1824 11.1824 11.2258 11.2258 11.8913 11.8913 13.5415 13.5415 14.0683 14.0683 14.0917 14.0917 k = 0.1897 0.0496 0.0299 ( 1903 PWs) bands (ev): -62.4441 -62.4441 -33.6650 -33.6650 -24.0079 -24.0079 -23.3971 -23.3971 -8.3811 -8.3811 3.3274 3.3274 5.8251 5.8251 6.5493 6.5493 6.5632 6.5632 7.3131 7.3131 11.1290 11.1290 11.2275 11.2275 11.8936 11.8936 13.5629 13.5629 14.0675 14.0675 14.0898 14.0898 k = 0.1724 0.0451 0.0272 ( 1903 PWs) bands (ev): -62.4441 -62.4441 -33.6650 -33.6650 -24.0078 -24.0078 -23.3971 -23.3971 -8.3830 -8.3830 3.3696 3.3696 5.7806 5.7806 6.5487 6.5487 6.5625 6.5625 7.3195 7.3195 11.0785 11.0785 11.2290 11.2290 11.8958 11.8958 13.5833 13.5833 14.0668 14.0668 14.0879 14.0879 k = 0.1552 0.0405 0.0245 ( 1903 PWs) bands (ev): -62.4441 -62.4441 -33.6650 -33.6650 -24.0078 -24.0078 -23.3971 -23.3971 -8.3849 -8.3849 3.4109 3.4109 5.7370 5.7370 6.5481 6.5481 6.5619 6.5619 7.3258 7.3258 11.0315 11.0315 11.2305 11.2305 11.8979 11.8979 13.6026 13.6026 14.0661 14.0661 14.0862 14.0862 k = 0.1379 0.0360 0.0218 ( 1915 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0078 -24.0078 -23.3972 -23.3972 -8.3866 -8.3866 3.4508 3.4508 5.6948 5.6948 6.5474 6.5474 6.5612 6.5612 7.3319 7.3319 10.9882 10.9882 11.2319 11.2319 11.8999 11.8999 13.6204 13.6204 14.0654 14.0654 14.0845 14.0845 k = 0.1207 0.0315 0.0190 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0078 -24.0078 -23.3972 -23.3972 -8.3881 -8.3881 3.4886 3.4886 5.6550 5.6550 6.5469 6.5469 6.5607 6.5607 7.3377 7.3377 10.9491 10.9491 11.2332 11.2332 11.9016 11.9016 13.6367 13.6367 14.0647 14.0647 14.0829 14.0829 k = 0.1034 0.0270 0.0163 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0078 -24.0078 -23.3972 -23.3972 -8.3895 -8.3895 3.5235 3.5235 5.6181 5.6181 6.5465 6.5465 6.5602 6.5602 7.3429 7.3429 10.9145 10.9145 11.2344 11.2344 11.9032 11.9032 13.6512 13.6512 14.0640 14.0640 14.0816 14.0816 k = 0.0862 0.0225 0.0136 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0078 -24.0078 -23.3972 -23.3972 -8.3907 -8.3907 3.5548 3.5548 5.5851 5.5851 6.5461 6.5461 6.5598 6.5598 7.3476 7.3476 10.8848 10.8848 11.2354 11.2354 11.9046 11.9046 13.6638 13.6638 14.0634 14.0634 14.0804 14.0804 k = 0.0690 0.0180 0.0109 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0078 -24.0078 -23.3972 -23.3972 -8.3917 -8.3917 3.5817 3.5817 5.5567 5.5567 6.5457 6.5457 6.5595 6.5595 7.3516 7.3516 10.8601 10.8601 11.2362 11.2362 11.9057 11.9057 13.6743 13.6743 14.0627 14.0627 14.0794 14.0794 k = 0.0517 0.0135 0.0082 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0077 -24.0077 -23.3972 -23.3972 -8.3925 -8.3925 3.6035 3.6035 5.5337 5.5337 6.5455 6.5455 6.5592 6.5592 7.3548 7.3548 10.8406 10.8406 11.2368 11.2368 11.9066 11.9066 13.6826 13.6826 14.0622 14.0622 14.0786 14.0786 k = 0.0345 0.0090 0.0054 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0077 -24.0077 -23.3972 -23.3972 -8.3931 -8.3931 3.6196 3.6196 5.5167 5.5167 6.5453 6.5453 6.5590 6.5590 7.3572 7.3572 10.8266 10.8266 11.2373 11.2373 11.9073 11.9073 13.6886 13.6886 14.0618 14.0618 14.0780 14.0780 k = 0.0172 0.0045 0.0027 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0077 -24.0077 -23.3972 -23.3972 -8.3935 -8.3935 3.6295 3.6295 5.5063 5.5063 6.5451 6.5451 6.5589 6.5589 7.3586 7.3586 10.8182 10.8182 11.2376 11.2376 11.9077 11.9077 13.6922 13.6922 14.0615 14.0615 14.0776 14.0776 k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0077 -24.0077 -23.3972 -23.3972 -8.3936 -8.3936 3.6329 3.6329 5.5028 5.5028 6.5451 6.5451 6.5588 6.5588 7.3591 7.3591 10.8154 10.8154 11.2377 11.2377 11.9078 11.9078 13.6934 13.6934 14.0614 14.0614 14.0775 14.0775 k = 0.0000 0.0000 0.0000 ( 1921 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0077 -24.0077 -23.3972 -23.3972 -8.3936 -8.3936 3.6329 3.6329 5.5028 5.5028 6.5451 6.5451 6.5588 6.5588 7.3591 7.3591 10.8154 10.8154 11.2377 11.2377 11.9078 11.9078 13.6934 13.6934 14.0614 14.0614 14.0775 14.0775 k = 0.0045-0.0081-0.0154 ( 1921 PWs) bands (ev): -62.4441 -62.4441 -33.6652 -33.6652 -24.0078 -24.0078 -23.3975 -23.3975 -8.3925 -8.3925 3.6316 3.6316 5.5053 5.5053 6.5251 6.5251 6.5523 6.5523 7.3851 7.3851 10.8162 10.8162 11.2376 11.2376 11.9078 11.9078 13.6890 13.6890 14.0617 14.0617 14.0750 14.0750 k = 0.0091-0.0162-0.0308 ( 1917 PWs) bands (ev): -62.4440 -62.4440 -33.6655 -33.6655 -24.0080 -24.0080 -23.3986 -23.3986 -8.3894 -8.3894 3.6275 3.6275 5.5127 5.5127 6.4593 6.4593 6.5464 6.5464 7.4549 7.4549 10.8186 10.8186 11.2374 11.2374 11.9077 11.9077 13.6763 13.6763 14.0551 14.0551 14.0777 14.0777 k = 0.0136-0.0243-0.0462 ( 1917 PWs) bands (ev): -62.4438 -62.4438 -33.6659 -33.6659 -24.0084 -24.0084 -23.4004 -23.4004 -8.3842 -8.3842 3.6206 3.6206 5.5252 5.5252 6.3658 6.3658 6.5386 6.5386 7.5534 7.5534 10.8227 10.8227 11.2367 11.2367 11.9078 11.9078 13.6561 13.6561 14.0385 14.0385 14.0891 14.0891 k = 0.0182-0.0324-0.0616 ( 1919 PWs) bands (ev): -62.4436 -62.4436 -33.6666 -33.6666 -24.0089 -24.0089 -23.4029 -23.4029 -8.3769 -8.3769 3.6106 3.6106 5.5426 5.5426 6.2578 6.2578 6.5280 6.5280 7.6684 7.6684 10.8285 10.8285 11.2354 11.2354 11.9086 11.9086 13.6294 13.6294 14.0142 14.0142 14.1058 14.1058 k = 0.0227-0.0405-0.0770 ( 1917 PWs) bands (ev): -62.4433 -62.4433 -33.6674 -33.6674 -24.0096 -24.0096 -23.4062 -23.4062 -8.3676 -8.3676 3.5971 3.5971 5.5648 5.5648 6.1430 6.1430 6.5145 6.5145 7.7928 7.7928 10.8358 10.8358 11.2329 11.2329 11.9105 11.9105 13.5975 13.5975 13.9818 13.9818 14.1263 14.1263 k = 0.0273-0.0486-0.0924 ( 1915 PWs) bands (ev): -62.4429 -62.4429 -33.6684 -33.6684 -24.0104 -24.0104 -23.4101 -23.4101 -8.3562 -8.3562 3.5796 3.5796 5.5918 5.5918 6.0262 6.0262 6.4980 6.4980 7.9224 7.9224 10.8447 10.8447 11.2286 11.2286 11.9143 11.9143 13.5610 13.5610 13.9408 13.9408 14.1491 14.1491 k = 0.0318-0.0568-0.1078 ( 1915 PWs) bands (ev): -62.4425 -62.4425 -33.6696 -33.6696 -24.0114 -24.0114 -23.4147 -23.4147 -8.3427 -8.3427 3.5576 3.5576 5.6235 5.6235 5.9104 5.9104 6.4785 6.4785 8.0548 8.0548 10.8552 10.8552 11.2221 11.2221 11.9208 11.9208 13.5208 13.5208 13.8913 13.8913 14.1710 14.1710 k = 0.0364-0.0649-0.1232 ( 1915 PWs) bands (ev): -62.4419 -62.4419 -33.6709 -33.6709 -24.0126 -24.0126 -23.4199 -23.4199 -8.3271 -8.3271 3.5303 3.5303 5.6591 5.6591 5.7985 5.7985 6.4562 6.4562 8.1884 8.1884 10.8672 10.8672 11.2127 11.2127 11.9306 11.9306 13.4773 13.4773 13.8338 13.8338 14.1894 14.1894 k = 0.0409-0.0730-0.1386 ( 1907 PWs) bands (ev): -62.4414 -62.4414 -33.6724 -33.6724 -24.0139 -24.0139 -23.4258 -23.4258 -8.3095 -8.3095 3.4969 3.4969 5.6757 5.6757 5.7150 5.7150 6.4310 6.4310 8.3223 8.3223 10.8807 10.8807 11.1999 11.1999 11.9445 11.9445 13.4308 13.4308 13.7692 13.7692 14.2026 14.2026 k = 0.0455-0.0811-0.1540 ( 1905 PWs) bands (ev): -62.4407 -62.4407 -33.6741 -33.6741 -24.0153 -24.0153 -23.4323 -23.4323 -8.2898 -8.2898 3.4567 3.4567 5.5838 5.5838 5.7510 5.7510 6.4030 6.4030 8.4558 8.4558 10.8956 10.8956 11.1832 11.1832 11.9631 11.9631 13.3817 13.3817 13.6986 13.6986 14.2086 14.2086 k = 0.0500-0.0892-0.1694 ( 1903 PWs) bands (ev): -62.4400 -62.4400 -33.6760 -33.6760 -24.0169 -24.0169 -23.4394 -23.4394 -8.2681 -8.2681 3.4090 3.4090 5.4904 5.4904 5.8006 5.8006 6.3721 6.3721 8.5882 8.5882 10.9120 10.9120 11.1626 11.1626 11.9869 11.9869 13.3301 13.3301 13.6234 13.6234 14.2061 14.2061 k = 0.0546-0.0973-0.1848 ( 1899 PWs) bands (ev): -62.4393 -62.4393 -33.6780 -33.6780 -24.0187 -24.0187 -23.4470 -23.4470 -8.2443 -8.2443 3.3529 3.3529 5.4051 5.4051 5.8551 5.8551 6.3386 6.3386 8.7193 8.7193 10.9298 10.9298 11.1378 11.1378 12.0161 12.0161 13.2763 13.2763 13.5447 13.5447 14.1969 14.1969 k = 0.0591-0.1054-0.2002 ( 1903 PWs) bands (ev): -62.4384 -62.4384 -33.6802 -33.6802 -24.0207 -24.0207 -23.4553 -23.4553 -8.2185 -8.2185 3.2880 3.2880 5.3292 5.3292 5.9139 5.9139 6.3025 6.3025 8.8486 8.8486 10.9487 10.9487 11.1091 11.1091 12.0508 12.0508 13.2205 13.2205 13.4635 13.4635 14.1836 14.1836 k = 0.0637-0.1135-0.2156 ( 1903 PWs) bands (ev): -62.4376 -62.4376 -33.6825 -33.6825 -24.0228 -24.0228 -23.4640 -23.4640 -8.1906 -8.1906 3.2140 3.2140 5.2633 5.2633 5.9765 5.9765 6.2642 6.2642 8.9761 8.9761 10.9686 10.9686 11.0771 11.0771 12.0909 12.0909 13.1628 13.1628 13.3806 13.3806 14.1679 14.1679 k = 0.0682-0.1216-0.2310 ( 1901 PWs) bands (ev): -62.4366 -62.4366 -33.6850 -33.6850 -24.0251 -24.0251 -23.4732 -23.4732 -8.1607 -8.1607 3.1310 3.1310 5.2076 5.2076 6.0421 6.0421 6.2244 6.2244 9.1014 9.1014 10.9878 10.9878 11.0434 11.0434 12.1361 12.1361 13.1035 13.1035 13.2970 13.2970 14.1507 14.1507 k = 0.0728-0.1297-0.2464 ( 1905 PWs) bands (ev): -62.4357 -62.4357 -33.6876 -33.6876 -24.0275 -24.0275 -23.4828 -23.4828 -8.1288 -8.1288 3.0391 3.0391 5.1621 5.1621 6.1049 6.1049 6.1887 6.1887 9.2245 9.2245 10.9890 10.9890 11.0260 11.0260 12.1859 12.1859 13.0431 13.0431 13.2132 13.2132 14.1322 14.1322 k = 0.0773-0.1378-0.2618 ( 1899 PWs) bands (ev): -62.4346 -62.4346 -33.6903 -33.6903 -24.0301 -24.0301 -23.4928 -23.4928 -8.0949 -8.0949 2.9389 2.9389 5.1265 5.1265 6.1146 6.1146 6.2076 6.2076 9.3451 9.3451 10.9533 10.9533 11.0439 11.0439 12.2394 12.2394 12.9824 12.9824 13.1297 13.1297 14.1128 14.1128 k = 0.0819-0.1459-0.2772 ( 1899 PWs) bands (ev): -62.4335 -62.4335 -33.6932 -33.6932 -24.0329 -24.0329 -23.5033 -23.5033 -8.0590 -8.0590 2.8312 2.8312 5.1000 5.1000 6.0726 6.0726 6.2793 6.2793 9.4633 9.4633 10.9100 10.9100 11.0682 11.0682 12.2952 12.2952 12.9227 12.9227 13.0472 13.0472 14.0923 14.0923 k = 0.0864-0.1541-0.2926 ( 1899 PWs) bands (ev): -62.4324 -62.4324 -33.6962 -33.6962 -24.0358 -24.0358 -23.5140 -23.5140 -8.0212 -8.0212 2.7167 2.7167 5.0822 5.0822 6.0227 6.0227 6.3600 6.3600 9.5788 9.5788 10.8639 10.8639 11.0944 11.0944 12.3505 12.3505 12.8666 12.8666 12.9660 12.9660 14.0709 14.0709 k = 0.0910-0.1622-0.3080 ( 1901 PWs) bands (ev): -62.4312 -62.4312 -33.6993 -33.6993 -24.0389 -24.0389 -23.5251 -23.5251 -7.9813 -7.9813 2.5962 2.5962 5.0722 5.0722 5.9695 5.9695 6.4453 6.4453 9.6917 9.6917 10.8159 10.8159 11.1219 11.1219 12.4000 12.4000 12.8189 12.8189 12.8872 12.8872 14.0486 14.0486 k = 0.0955-0.1703-0.3234 ( 1897 PWs) bands (ev): -62.4300 -62.4300 -33.7025 -33.7025 -24.0422 -24.0422 -23.5365 -23.5365 -7.9395 -7.9395 2.4708 2.4708 5.0692 5.0692 5.9136 5.9136 6.5341 6.5341 9.8019 9.8019 10.7667 10.7667 11.1505 11.1505 12.4330 12.4330 12.7816 12.7816 12.8195 12.8195 14.0254 14.0254 k = 0.1001-0.1784-0.3388 ( 1897 PWs) bands (ev): -62.4288 -62.4288 -33.7058 -33.7058 -24.0456 -24.0456 -23.5481 -23.5481 -7.8957 -7.8957 2.3410 2.3410 5.0726 5.0726 5.8554 5.8554 6.6262 6.6262 9.9094 9.9094 10.7165 10.7165 11.1801 11.1801 12.4365 12.4365 12.7194 12.7194 12.8117 12.8117 14.0013 14.0013 k = 0.1046-0.1865-0.3542 ( 1897 PWs) bands (ev): -62.4275 -62.4275 -33.7092 -33.7092 -24.0493 -24.0493 -23.5598 -23.5598 -7.8500 -7.8500 2.2077 2.2077 5.0817 5.0817 5.7952 5.7952 6.7212 6.7212 10.0139 10.0139 10.6658 10.6658 11.2105 11.2105 12.4089 12.4089 12.6443 12.6443 12.8535 12.8535 13.9763 13.9763 k = 0.1092-0.1946-0.3696 ( 1899 PWs) bands (ev): -62.4262 -62.4262 -33.7127 -33.7127 -24.0530 -24.0530 -23.5718 -23.5718 -7.8024 -7.8024 2.0715 2.0715 5.0959 5.0959 5.7329 5.7329 6.8189 6.8189 10.1154 10.1154 10.6148 10.6148 11.2416 11.2416 12.3609 12.3609 12.5686 12.5686 12.9223 12.9223 13.9507 13.9507 k = 0.1137-0.2027-0.3850 ( 1897 PWs) bands (ev): -62.4249 -62.4249 -33.7163 -33.7163 -24.0569 -24.0569 -23.5839 -23.5839 -7.7528 -7.7528 1.9331 1.9331 5.1147 5.1147 5.6688 5.6688 6.9192 6.9192 10.2137 10.2137 10.5641 10.5641 11.2733 11.2733 12.3025 12.3025 12.4937 12.4937 13.0068 13.0068 13.9244 13.9244 k = 0.1182-0.2108-0.4004 ( 1899 PWs) bands (ev): -62.4235 -62.4235 -33.7199 -33.7199 -24.0610 -24.0610 -23.5961 -23.5961 -7.7014 -7.7014 1.7928 1.7928 5.1377 5.1377 5.6030 5.6030 7.0218 7.0218 10.3079 10.3079 10.5145 10.5145 11.3054 11.3054 12.2389 12.2389 12.4204 12.4204 13.1012 13.1012 13.8980 13.8980 k = 0.1228-0.2189-0.4158 ( 1899 PWs) bands (ev): -62.4221 -62.4221 -33.7236 -33.7236 -24.0652 -24.0652 -23.6084 -23.6084 -7.6481 -7.6481 1.6512 1.6512 5.1644 5.1644 5.5355 5.5355 7.1265 7.1265 10.3926 10.3926 10.4716 10.4716 11.3379 11.3379 12.1727 12.1727 12.3492 12.3492 13.2022 13.2022 13.8719 13.8719 k = 0.1273-0.2270-0.4312 ( 1901 PWs) bands (ev): -62.4208 -62.4208 -33.7274 -33.7274 -24.0695 -24.0695 -23.6207 -23.6207 -7.5929 -7.5929 1.5085 1.5085 5.1946 5.1946 5.4666 5.4666 7.2331 7.2331 10.4011 10.4011 10.5019 10.5019 11.3704 11.3704 12.1048 12.1048 12.2814 12.2814 13.3070 13.3070 13.8476 13.8476 k = 0.1319-0.2351-0.4466 ( 1901 PWs) bands (ev): -62.4193 -62.4193 -33.7312 -33.7312 -24.0739 -24.0739 -23.6330 -23.6330 -7.5360 -7.5360 1.3652 1.3652 5.2279 5.2279 5.3963 5.3963 7.3414 7.3414 10.3568 10.3568 10.5819 10.5819 11.4028 11.4028 12.0355 12.0355 12.2182 12.2182 13.4119 13.4119 13.8278 13.8278 k = 0.1364-0.2432-0.4620 ( 1897 PWs) bands (ev): -62.4179 -62.4179 -33.7350 -33.7350 -24.0785 -24.0785 -23.6453 -23.6453 -7.4772 -7.4772 1.2215 1.2215 5.2639 5.2639 5.3249 5.3249 7.4512 7.4512 10.3099 10.3099 10.6610 10.6610 11.4349 11.4349 11.9648 11.9648 12.1612 12.1612 13.5082 13.5082 13.8208 13.8208 k = 0.1410-0.2514-0.4774 ( 1889 PWs) bands (ev): -62.4165 -62.4165 -33.7388 -33.7388 -24.0831 -24.0831 -23.6576 -23.6576 -7.4166 -7.4166 1.0777 1.0777 5.2514 5.2514 5.3035 5.3035 7.5622 7.5622 10.2634 10.2634 10.7355 10.7355 11.4663 11.4663 11.8926 11.8926 12.1120 12.1120 13.5766 13.5766 13.8454 13.8454 k = 0.1455-0.2595-0.4928 ( 1891 PWs) bands (ev): -62.4150 -62.4150 -33.7427 -33.7427 -24.0878 -24.0878 -23.6698 -23.6698 -7.3542 -7.3542 0.9340 0.9340 5.1779 5.1779 5.3447 5.3447 7.6743 7.6743 10.2180 10.2180 10.8038 10.8038 11.4963 11.4963 11.8198 11.8198 12.0718 12.0718 13.5991 13.5991 13.9192 13.9192 k = 0.1501-0.2676-0.5082 ( 1887 PWs) bands (ev): -62.4136 -62.4136 -33.7465 -33.7465 -24.0926 -24.0926 -23.6819 -23.6819 -7.2901 -7.2901 0.7905 0.7905 5.1033 5.1033 5.3884 5.3884 7.7871 7.7871 10.1740 10.1740 10.8646 10.8646 11.5233 11.5233 11.7488 11.7488 12.0416 12.0416 13.5888 13.5888 14.0288 14.0288 k = 0.1546-0.2757-0.5236 ( 1885 PWs) bands (ev): -62.4121 -62.4121 -33.7504 -33.7504 -24.0974 -24.0974 -23.6940 -23.6940 -7.2243 -7.2243 0.6474 0.6474 5.0278 5.0278 5.4343 5.4343 7.9004 7.9004 10.1317 10.1317 10.9164 10.9164 11.5396 11.5396 11.6883 11.6883 12.0220 12.0220 13.5636 13.5636 14.1555 14.1555 k = 0.1592-0.2838-0.5390 ( 1885 PWs) bands (ev): -62.4107 -62.4107 -33.7543 -33.7543 -24.1023 -24.1023 -23.7059 -23.7059 -7.1569 -7.1569 0.5050 0.5050 4.9517 4.9517 5.4823 5.4823 8.0139 8.0139 10.0911 10.0911 10.9577 10.9577 11.5213 11.5213 11.6638 11.6638 12.0132 12.0132 13.5317 13.5317 14.2905 14.2905 k = 0.1637-0.2919-0.5544 ( 1889 PWs) bands (ev): -62.4093 -62.4093 -33.7581 -33.7581 -24.1071 -24.1071 -23.7178 -23.7178 -7.0877 -7.0877 0.3632 0.3632 4.8751 4.8751 5.5322 5.5322 8.1274 8.1274 10.0523 10.0523 10.9876 10.9876 11.4632 11.4632 11.6822 11.6822 12.0147 12.0147 13.4960 13.4960 14.4291 14.4291 k = 0.1683-0.3000-0.5698 ( 1889 PWs) bands (ev): -62.4078 -62.4078 -33.7620 -33.7620 -24.1120 -24.1120 -23.7295 -23.7295 -7.0170 -7.0170 0.2222 0.2222 4.7981 4.7981 5.5840 5.5840 8.2404 8.2404 10.0156 10.0156 11.0056 11.0056 11.3909 11.3909 11.7193 11.7193 12.0257 12.0257 13.4579 13.4579 14.5670 14.5670 k = 0.1728-0.3081-0.5852 ( 1889 PWs) bands (ev): -62.4064 -62.4064 -33.7657 -33.7657 -24.1168 -24.1168 -23.7411 -23.7411 -6.9446 -6.9446 0.0822 0.0822 4.7208 4.7208 5.6375 5.6375 8.3526 8.3526 9.9811 9.9811 11.0120 11.0120 11.3156 11.3156 11.7651 11.7651 12.0452 12.0452 13.4181 13.4181 14.6973 14.6973 k = 0.1774-0.3162-0.6006 ( 1889 PWs) bands (ev): -62.4050 -62.4050 -33.7695 -33.7695 -24.1215 -24.1215 -23.7525 -23.7525 -6.8707 -6.8707 -0.0568 -0.0568 4.6433 4.6433 5.6926 5.6926 8.4636 8.4636 9.9487 9.9487 11.0072 11.0072 11.2416 11.2416 11.8162 11.8162 12.0721 12.0721 13.3771 13.3771 14.8094 14.8094 k = 0.1819-0.3243-0.6160 ( 1883 PWs) bands (ev): -62.4037 -62.4037 -33.7732 -33.7732 -24.1262 -24.1262 -23.7638 -23.7638 -6.7953 -6.7953 -0.1947 -0.1947 4.5659 4.5659 5.7493 5.7493 8.5729 8.5729 9.9187 9.9187 10.9908 10.9908 11.1725 11.1725 11.8703 11.8703 12.1057 12.1057 13.3353 13.3353 14.8949 14.8949 k = 0.1865-0.3324-0.6314 ( 1885 PWs) bands (ev): -62.4023 -62.4023 -33.7768 -33.7768 -24.1308 -24.1308 -23.7749 -23.7749 -6.7184 -6.7184 -0.3315 -0.3315 4.4885 4.4885 5.8075 5.8075 8.6799 8.6799 9.8912 9.8912 10.9606 10.9606 11.1134 11.1134 11.9255 11.9255 12.1458 12.1458 13.2928 13.2928 14.9578 14.9578 k = 0.1910-0.3405-0.6468 ( 1885 PWs) bands (ev): -62.4010 -62.4010 -33.7804 -33.7804 -24.1352 -24.1352 -23.7859 -23.7859 -6.6401 -6.6401 -0.4670 -0.4670 4.4114 4.4114 5.8671 5.8671 8.7838 8.7838 9.8661 9.8661 10.9149 10.9149 11.0682 11.0682 11.9797 11.9797 12.1923 12.1923 13.2501 13.2501 15.0074 15.0074 k = 0.1956-0.3487-0.6622 ( 1887 PWs) bands (ev): -62.3997 -62.3997 -33.7839 -33.7839 -24.1394 -24.1394 -23.7967 -23.7967 -6.5604 -6.5604 -0.6012 -0.6012 4.3346 4.3346 5.9281 5.9281 8.8838 8.8838 9.8436 9.8436 10.8575 10.8575 11.0355 11.0355 12.0311 12.0311 12.2452 12.2452 13.2073 13.2073 15.0499 15.0499 k = 0.2001-0.3568-0.6776 ( 1881 PWs) bands (ev): -62.3984 -62.3984 -33.7873 -33.7873 -24.1435 -24.1435 -23.8073 -23.8073 -6.4793 -6.4793 -0.7341 -0.7341 4.2583 4.2583 5.9903 5.9903 8.9788 8.9788 9.8238 9.8238 10.7953 10.7953 11.0104 11.0104 12.0785 12.0785 12.3045 12.3045 13.1650 13.1650 15.0884 15.0884 k = 0.2047-0.3649-0.6930 ( 1877 PWs) bands (ev): -62.3971 -62.3971 -33.7907 -33.7907 -24.1473 -24.1473 -23.8179 -23.8179 -6.3970 -6.3970 -0.8655 -0.8655 4.1827 4.1827 6.0538 6.0538 9.0674 9.0674 9.8068 9.8068 10.7338 10.7338 10.9895 10.9895 12.1215 12.1215 12.3694 12.3694 13.1235 13.1235 15.1242 15.1242 k = 0.2092-0.3730-0.7084 ( 1873 PWs) bands (ev): -62.3959 -62.3959 -33.7939 -33.7939 -24.1509 -24.1509 -23.8282 -23.8282 -6.3134 -6.3134 -0.9955 -0.9955 4.1077 4.1077 6.1184 6.1184 9.1478 9.1478 9.7925 9.7925 10.6763 10.6763 10.9716 10.9716 12.1597 12.1597 12.4390 12.4390 13.0835 13.0835 15.1580 15.1580 k = 0.2138-0.3811-0.7238 ( 1873 PWs) bands (ev): -62.3947 -62.3947 -33.7971 -33.7971 -24.1543 -24.1543 -23.8384 -23.8384 -6.2286 -6.2286 -1.1239 -1.1239 4.0337 4.0337 6.1841 6.1841 9.2180 9.2180 9.7811 9.7811 10.6260 10.6260 10.9562 10.9562 12.1930 12.1930 12.5123 12.5123 13.0455 13.0455 15.1901 15.1901 k = 0.2183-0.3892-0.7392 ( 1869 PWs) bands (ev): -62.3936 -62.3936 -33.8001 -33.8001 -24.1573 -24.1573 -23.8485 -23.8485 -6.1428 -6.1428 -1.2508 -1.2508 3.9606 3.9606 6.2508 6.2508 9.2755 9.2755 9.7726 9.7726 10.5854 10.5854 10.9430 10.9430 12.2211 12.2211 12.5883 12.5883 13.0106 13.0106 15.2206 15.2206 k = 0.2228-0.3973-0.7546 ( 1871 PWs) bands (ev): -62.3925 -62.3925 -33.8031 -33.8031 -24.1601 -24.1601 -23.8585 -23.8585 -6.0559 -6.0559 -1.3762 -1.3762 3.8886 3.8886 6.3185 6.3185 9.3180 9.3180 9.7669 9.7669 10.5570 10.5570 10.9323 10.9323 12.2433 12.2433 12.6665 12.6665 12.9796 12.9796 15.2493 15.2493 k = 0.2274-0.4054-0.7700 ( 1875 PWs) bands (ev): -62.3914 -62.3914 -33.8060 -33.8060 -24.1625 -24.1625 -23.8683 -23.8683 -5.9680 -5.9680 -1.4999 -1.4999 3.8179 3.8179 6.3871 6.3871 9.3435 9.3435 9.7640 9.7640 10.5429 10.5429 10.9240 10.9240 12.2590 12.2590 12.7462 12.7462 12.9539 12.9539 15.2761 15.2761 k = 0.2319-0.4135-0.7854 ( 1879 PWs) bands (ev): -62.3904 -62.3904 -33.8087 -33.8087 -24.1647 -24.1647 -23.8780 -23.8780 -5.8792 -5.8792 -1.6219 -1.6219 3.7486 3.7486 6.4566 6.4566 9.3511 9.3511 9.7636 9.7636 10.5438 10.5438 10.9183 10.9183 12.2671 12.2671 12.8264 12.8264 12.9351 12.9351 15.3010 15.3010 k = 0.2365-0.4216-0.8008 ( 1877 PWs) bands (ev): -62.3894 -62.3894 -33.8113 -33.8113 -24.1664 -24.1664 -23.8876 -23.8876 -5.7895 -5.7895 -1.7423 -1.7423 3.6807 3.6807 6.5269 6.5269 9.3413 9.3413 9.7659 9.7659 10.5591 10.5591 10.9154 10.9154 12.2670 12.2670 12.8979 12.8979 12.9330 12.9330 15.3236 15.3236 k = 0.2410-0.4297-0.8162 ( 1879 PWs) bands (ev): -62.3885 -62.3885 -33.8138 -33.8138 -24.1678 -24.1678 -23.8970 -23.8970 -5.6991 -5.6991 -1.8610 -1.8610 3.6145 3.6145 6.5980 6.5980 9.3157 9.3157 9.7707 9.7707 10.5864 10.5864 10.9153 10.9153 12.2585 12.2585 12.9096 12.9096 12.9989 12.9989 15.3438 15.3438 k = 0.2456-0.4378-0.8316 ( 1875 PWs) bands (ev): -62.3876 -62.3876 -33.8162 -33.8162 -24.1687 -24.1687 -23.9063 -23.9063 -5.6081 -5.6081 -1.9779 -1.9779 3.5501 3.5501 6.6697 6.6697 9.2769 9.2769 9.7784 9.7784 10.6229 10.6229 10.9184 10.9184 12.2418 12.2418 12.9124 12.9124 13.0816 13.0816 15.3614 15.3614 k = 0.2501-0.4460-0.8470 ( 1869 PWs) bands (ev): -62.3867 -62.3867 -33.8184 -33.8184 -24.1693 -24.1693 -23.9154 -23.9154 -5.5164 -5.5164 -2.0930 -2.0930 3.4876 3.4876 6.7421 6.7421 9.2273 9.2273 9.7890 9.7890 10.6651 10.6651 10.9248 10.9248 12.2178 12.2178 12.9203 12.9203 13.1662 13.1662 15.3760 15.3760 k = 0.2547-0.4541-0.8624 ( 1868 PWs) bands (ev): -62.3859 -62.3859 -33.8205 -33.8205 -24.1695 -24.1695 -23.9245 -23.9245 -5.4243 -5.4243 -2.2064 -2.2064 3.4271 3.4271 6.8150 6.8150 9.1695 9.1695 9.8026 9.8026 10.7098 10.7098 10.9348 10.9348 12.1876 12.1876 12.9332 12.9332 13.2516 13.2516 15.3873 15.3873 k = 0.2592-0.4622-0.8778 ( 1868 PWs) bands (ev): -62.3852 -62.3852 -33.8225 -33.8225 -24.1693 -24.1693 -23.9334 -23.9334 -5.3318 -5.3318 -2.3179 -2.3179 3.3688 3.3688 6.8884 6.8884 9.1055 9.1055 9.8192 9.8192 10.7541 10.7541 10.9489 10.9489 12.1523 12.1523 12.9501 12.9501 13.3377 13.3377 15.3951 15.3951 k = 0.2638-0.4703-0.8932 ( 1872 PWs) bands (ev): -62.3845 -62.3845 -33.8244 -33.8244 -24.1687 -24.1687 -23.9422 -23.9422 -5.2390 -5.2390 -2.4276 -2.4276 3.3128 3.3128 6.9622 6.9622 9.0367 9.0367 9.8388 9.8388 10.7958 10.7958 10.9672 10.9672 12.1133 12.1133 12.9700 12.9700 13.4243 13.4243 15.3992 15.3992 k = 0.2683-0.4784-0.9086 ( 1876 PWs) bands (ev): -62.3838 -62.3838 -33.8261 -33.8261 -24.1677 -24.1677 -23.9508 -23.9508 -5.1461 -5.1461 -2.5355 -2.5355 3.2592 3.2592 7.0364 7.0364 8.9646 8.9646 9.8613 9.8613 10.8333 10.8333 10.9895 10.9895 12.0714 12.0714 12.9920 12.9920 13.5113 13.5113 15.3991 15.3991 k = 0.2729-0.4865-0.9240 ( 1880 PWs) bands (ev): -62.3832 -62.3832 -33.8278 -33.8278 -24.1663 -24.1663 -23.9593 -23.9593 -5.0531 -5.0531 -2.6415 -2.6415 3.2083 3.2083 7.1109 7.1109 8.8901 8.8901 9.8868 9.8868 10.8661 10.8661 11.0148 11.0148 12.0275 12.0275 13.0153 13.0153 13.5987 13.5987 15.3948 15.3948 k = 0.2774-0.4946-0.9395 ( 1878 PWs) bands (ev): -62.3827 -62.3827 -33.8292 -33.8292 -24.1645 -24.1645 -23.9676 -23.9676 -4.9603 -4.9603 -2.7455 -2.7455 3.1601 3.1601 7.1857 7.1857 8.8138 8.8138 9.9153 9.9153 10.8946 10.8946 11.0412 11.0412 11.9824 11.9824 13.0394 13.0394 13.6864 13.6864 15.3858 15.3858 k = 0.2820-0.5027-0.9549 ( 1880 PWs) bands (ev): -62.3822 -62.3822 -33.8306 -33.8306 -24.1623 -24.1623 -23.9758 -23.9758 -4.8676 -4.8676 -2.8477 -2.8477 3.1148 3.1148 7.2605 7.2605 8.7364 8.7364 9.9466 9.9466 10.9195 10.9195 11.0670 11.0670 11.9365 11.9365 13.0637 13.0637 13.7744 13.7744 15.3721 15.3721 k = 0.2865-0.5108-0.9703 ( 1878 PWs) bands (ev): -62.3817 -62.3817 -33.8318 -33.8318 -24.1599 -24.1599 -23.9837 -23.9837 -4.7753 -4.7753 -2.9480 -2.9480 3.0726 3.0726 7.3354 7.3354 8.6582 8.6582 9.9807 9.9807 10.9411 10.9411 11.0911 11.0911 11.8905 11.8905 13.0879 13.0879 13.8627 13.8627 15.3533 15.3533 k = 0.2911-0.5189-0.9857 ( 1874 PWs) bands (ev): -62.3813 -62.3813 -33.8328 -33.8328 -24.1571 -24.1571 -23.9913 -23.9913 -4.6834 -4.6834 -3.0463 -3.0463 3.0335 3.0335 7.4103 7.4103 8.5798 8.5798 10.0177 10.0177 10.9586 10.9586 11.1131 11.1131 11.8445 11.8445 13.1117 13.1117 13.9511 13.9511 15.3293 15.3293 k = 0.2956-0.5270-1.0011 ( 1874 PWs) bands (ev): -62.3809 -62.3809 -33.8338 -33.8338 -24.1540 -24.1540 -23.9987 -23.9987 -4.5922 -4.5922 -3.1427 -3.1427 2.9978 2.9978 7.4850 7.4850 8.5013 8.5013 10.0573 10.0573 10.9706 10.9706 11.1341 11.1341 11.7990 11.7990 13.1347 13.1347 14.0397 14.0397 15.2999 15.2999 k = 0.3002-0.5351-1.0165 ( 1878 PWs) bands (ev): -62.3806 -62.3806 -33.8346 -33.8346 -24.1508 -24.1508 -24.0057 -24.0057 -4.5018 -4.5018 -3.2371 -3.2371 2.9656 2.9656 7.5595 7.5595 8.4229 8.4229 10.0997 10.0997 10.9749 10.9749 11.1557 11.1557 11.7540 11.7540 13.1569 13.1569 14.1284 14.1284 15.2651 15.2651 k = 0.3047-0.5433-1.0319 ( 1876 PWs) bands (ev): -62.3803 -62.3803 -33.8353 -33.8353 -24.1475 -24.1475 -24.0123 -24.0123 -4.4123 -4.4123 -3.3295 -3.3295 2.9371 2.9371 7.6337 7.6337 8.3450 8.3450 10.1446 10.1446 10.9696 10.9696 11.1793 11.1793 11.7099 11.7099 13.1778 13.1778 14.2172 14.2172 15.2247 15.2247 k = 0.3093-0.5514-1.0473 ( 1878 PWs) bands (ev): -62.3801 -62.3801 -33.8359 -33.8359 -24.1442 -24.1442 -24.0184 -24.0184 -4.3239 -4.3239 -3.4199 -3.4199 2.9123 2.9123 7.7073 7.7073 8.2676 8.2676 10.1920 10.1920 10.9538 10.9538 11.2056 11.2056 11.6671 11.6671 13.1975 13.1975 14.3061 14.3061 15.1788 15.1788 k = 0.3138-0.5595-1.0627 ( 1878 PWs) bands (ev): -62.3799 -62.3799 -33.8364 -33.8364 -24.1410 -24.1410 -24.0239 -24.0239 -4.2367 -4.2367 -3.5083 -3.5083 2.8915 2.8915 7.7803 7.7803 8.1910 8.1910 10.2417 10.2417 10.9277 10.9277 11.2336 11.2336 11.6263 11.6263 13.2156 13.2156 14.3949 14.3949 15.1274 15.1274 k = 0.3184-0.5676-1.0781 ( 1878 PWs) bands (ev): -62.3798 -62.3798 -33.8368 -33.8368 -24.1381 -24.1381 -24.0286 -24.0286 -4.1510 -4.1510 -3.5947 -3.5947 2.8748 2.8748 7.8522 7.8522 8.1156 8.1156 10.2936 10.2936 10.8921 10.8921 11.2611 11.2611 11.5894 11.5894 13.2320 13.2320 14.4837 14.4837 15.0706 15.0706 k = 0.3229-0.5757-1.0935 ( 1876 PWs) bands (ev): -62.3797 -62.3797 -33.8371 -33.8371 -24.1357 -24.1357 -24.0322 -24.0322 -4.0669 -4.0669 -3.6791 -3.6791 2.8623 2.8623 7.9214 7.9214 8.0430 8.0430 10.3473 10.3473 10.8480 10.8480 11.2837 11.2837 11.5605 11.5605 13.2465 13.2465 14.5724 14.5724 15.0087 15.0087 k = 0.3275-0.5838-1.1089 ( 1880 PWs) bands (ev): -62.3796 -62.3796 -33.8372 -33.8372 -24.1340 -24.1340 -24.0348 -24.0348 -3.9845 -3.9845 -3.7614 -3.7614 2.8543 2.8543 7.9513 7.9513 8.0097 8.0097 10.4022 10.4022 10.7966 10.7966 11.2946 11.2946 11.5462 11.5462 13.2589 13.2589 14.6610 14.6610 14.9417 14.9417 k = 0.3320-0.5919-1.1243 ( 1886 PWs) bands (ev): -62.3796 -62.3796 -33.8373 -33.8373 -24.1332 -24.1332 -24.0359 -24.0359 -3.9040 -3.9040 -3.8417 -3.8417 2.8507 2.8507 7.8871 7.8871 8.0706 8.0706 10.4570 10.4570 10.7396 10.7396 11.2875 11.2875 11.5528 11.5528 13.2689 13.2689 14.7492 14.7492 14.8703 14.8703 k = 0.3365-0.6000-1.1397 ( 1884 PWs) bands (ev): -62.3796 -62.3796 -33.8373 -33.8373 -24.1334 -24.1334 -24.0356 -24.0356 -3.9200 -3.9200 -3.8255 -3.8255 2.8517 2.8517 7.8161 7.8161 8.1381 8.1381 10.5072 10.5072 10.6817 10.6817 11.2635 11.2635 11.5798 11.5798 13.2761 13.2761 14.7930 14.7930 14.8390 14.8390 k = 0.3411-0.6081-1.1551 ( 1884 PWs) bands (ev): -62.3796 -62.3796 -33.8372 -33.8372 -24.1347 -24.1347 -24.0338 -24.0338 -3.9962 -3.9962 -3.7492 -3.7492 2.8575 2.8575 7.7454 7.7454 8.2053 8.2053 10.5298 10.5298 10.6459 10.6459 11.2293 11.2293 11.6213 11.6213 13.2802 13.2802 14.7145 14.7145 14.9262 14.9262 k = 0.6589-0.4775-1.0762 ( 1884 PWs) bands (ev): -62.3796 -62.3796 -33.8372 -33.8372 -24.1347 -24.1347 -24.0338 -24.0338 -3.9962 -3.9962 -3.7492 -3.7492 2.8575 2.8575 7.7454 7.7454 8.2053 8.2053 10.5298 10.5298 10.6459 10.6459 11.2293 11.2293 11.6213 11.6213 13.2802 13.2802 14.7145 14.7145 14.9262 14.9262 k = 0.6544-0.4601-1.0762 ( 1878 PWs) bands (ev): -62.3797 -62.3797 -33.8370 -33.8370 -24.1370 -24.1370 -24.0306 -24.0306 -4.0702 -4.0702 -3.6754 -3.6754 2.8680 2.8680 7.6757 7.6757 8.2712 8.2712 10.4860 10.4860 10.6701 10.6701 11.1913 11.1913 11.6722 11.6722 13.2806 13.2806 14.6326 14.6326 15.0138 15.0138 k = 0.6498-0.4427-1.0762 ( 1876 PWs) bands (ev): -62.3798 -62.3798 -33.8367 -33.8367 -24.1401 -24.1401 -24.0262 -24.0262 -4.1421 -4.1421 -3.6041 -3.6041 2.8834 2.8834 7.6072 7.6072 8.3357 8.3357 10.4109 10.4109 10.7177 10.7177 11.1549 11.1549 11.7298 11.7298 13.2768 13.2768 14.5487 14.5487 15.1011 15.1011 k = 0.6453-0.4253-1.0762 ( 1880 PWs) bands (ev): -62.3799 -62.3799 -33.8364 -33.8364 -24.1440 -24.1440 -24.0207 -24.0207 -4.2119 -4.2119 -3.5353 -3.5353 2.9037 2.9037 7.5398 7.5398 8.3987 8.3987 10.3258 10.3258 10.7637 10.7637 11.1260 11.1260 11.7926 11.7926 13.2678 13.2678 14.4641 14.4641 15.1881 15.1881 k = 0.6407-0.4080-1.0762 ( 1884 PWs) bands (ev): -62.3801 -62.3801 -33.8360 -33.8360 -24.1483 -24.1483 -24.0144 -24.0144 -4.2797 -4.2797 -3.4693 -3.4693 2.9290 2.9290 7.4737 7.4737 8.4599 8.4599 10.2350 10.2350 10.7965 10.7965 11.1133 11.1133 11.8598 11.8598 13.2528 13.2528 14.3801 14.3801 15.2746 15.2746 k = 0.6362-0.3906-1.0762 ( 1884 PWs) bands (ev): -62.3803 -62.3803 -33.8356 -33.8356 -24.1531 -24.1531 -24.0073 -24.0073 -4.3453 -4.3453 -3.4060 -3.4060 2.9592 2.9592 7.4088 7.4088 8.5194 8.5194 10.1402 10.1402 10.8066 10.8066 11.1258 11.1258 11.9310 11.9310 13.2305 13.2305 14.2983 14.2983 15.3608 15.3608 k = 0.6317-0.3732-1.0762 ( 1888 PWs) bands (ev): -62.3805 -62.3805 -33.8351 -33.8351 -24.1581 -24.1581 -23.9998 -23.9998 -4.4089 -4.4089 -3.3455 -3.3455 2.9944 2.9944 7.3453 7.3453 8.5768 8.5768 10.0425 10.0425 10.7931 10.7931 11.1644 11.1644 12.0058 12.0058 13.1997 13.1997 14.2205 14.2205 15.4464 15.4464 k = 0.6271-0.3558-1.0762 ( 1886 PWs) bands (ev): -62.3807 -62.3807 -33.8345 -33.8345 -24.1633 -24.1633 -23.9917 -23.9917 -4.4704 -4.4704 -3.2879 -3.2879 3.0345 3.0345 7.2832 7.2832 8.6323 8.6323 9.9428 9.9428 10.7635 10.7635 11.2213 11.2213 12.0841 12.0841 13.1592 13.1592 14.1484 14.1484 15.5315 15.5315 k = 0.6226-0.3385-1.0762 ( 1894 PWs) bands (ev): -62.3809 -62.3809 -33.8340 -33.8340 -24.1686 -24.1686 -23.9834 -23.9834 -4.5297 -4.5297 -3.2333 -3.2333 3.0793 3.0793 7.2225 7.2225 8.6856 8.6856 9.8418 9.8418 10.7253 10.7253 11.2892 11.2892 12.1657 12.1657 13.1080 13.1080 14.0837 14.0837 15.6160 15.6160 k = 0.6180-0.3211-1.0762 ( 1892 PWs) bands (ev): -62.3812 -62.3812 -33.8333 -33.8333 -24.1739 -24.1739 -23.9748 -23.9748 -4.5869 -4.5869 -3.1816 -3.1816 3.1289 3.1289 7.1631 7.1631 8.7367 8.7367 9.7401 9.7401 10.6827 10.6827 11.3636 11.3636 12.2504 12.2504 13.0456 13.0456 14.0272 14.0272 15.6999 15.6999 k = 0.6135-0.3037-1.0762 ( 1888 PWs) bands (ev): -62.3815 -62.3815 -33.8326 -33.8326 -24.1791 -24.1791 -23.9661 -23.9661 -4.6421 -4.6421 -3.1329 -3.1329 3.1830 3.1830 7.1052 7.1052 8.7855 8.7855 9.6386 9.6386 10.6378 10.6378 11.4422 11.4422 12.3379 12.3379 12.9725 12.9725 13.9794 13.9794 15.7831 15.7831 k = 0.6090-0.2863-1.0762 ( 1888 PWs) bands (ev): -62.3817 -62.3817 -33.8320 -33.8320 -24.1844 -24.1844 -23.9572 -23.9572 -4.6950 -4.6950 -3.0871 -3.0871 3.2415 3.2415 7.0487 7.0487 8.8319 8.8319 9.5378 9.5378 10.5918 10.5918 11.5236 11.5236 12.4278 12.4278 12.8900 12.8900 13.9400 13.9400 15.8655 15.8655 k = 0.6044-0.2690-1.0762 ( 1886 PWs) bands (ev): -62.3820 -62.3820 -33.8312 -33.8312 -24.1895 -24.1895 -23.9483 -23.9483 -4.7459 -4.7459 -3.0442 -3.0442 3.3041 3.3041 6.9937 6.9937 8.8756 8.8756 9.4385 9.4385 10.5452 10.5452 11.6069 11.6069 12.5187 12.5187 12.8010 12.8010 13.9082 13.9082 15.9471 15.9471 k = 0.5999-0.2516-1.0762 ( 1886 PWs) bands (ev): -62.3823 -62.3823 -33.8305 -33.8305 -24.1946 -24.1946 -23.9393 -23.9393 -4.7946 -4.7946 -3.0041 -3.0041 3.3707 3.3707 6.9402 6.9402 8.9165 8.9165 9.3415 9.3415 10.4984 10.4984 11.6914 11.6914 12.5998 12.5998 12.7179 12.7179 13.8828 13.8828 16.0277 16.0277 k = 0.5953-0.2342-1.0762 ( 1888 PWs) bands (ev): -62.3826 -62.3826 -33.8298 -33.8298 -24.1995 -24.1995 -23.9305 -23.9305 -4.8412 -4.8412 -2.9669 -2.9669 3.4409 3.4409 6.8882 6.8882 8.9536 8.9536 9.2480 9.2480 10.4513 10.4513 11.7762 11.7762 12.5747 12.5747 12.7391 12.7391 13.8629 13.8629 16.1073 16.1073 k = 0.5908-0.2168-1.0762 ( 1888 PWs) bands (ev): -62.3829 -62.3829 -33.8290 -33.8290 -24.2043 -24.2043 -23.9217 -23.9217 -4.8856 -4.8856 -2.9323 -2.9323 3.5145 3.5145 6.8377 6.8377 8.9840 8.9840 9.1614 9.1614 10.4042 10.4042 11.8603 11.8603 12.4778 12.4778 12.8324 12.8324 13.8475 13.8475 16.1859 16.1859 k = 0.5863-0.1995-1.0762 ( 1890 PWs) bands (ev): -62.3832 -62.3832 -33.8283 -33.8283 -24.2090 -24.2090 -23.9131 -23.9131 -4.9279 -4.9279 -2.9004 -2.9004 3.5909 3.5909 6.7888 6.7888 8.9919 8.9919 9.0980 9.0980 10.3569 10.3569 11.9414 11.9414 12.3760 12.3760 12.9344 12.9344 13.8357 13.8357 16.2632 16.2632 k = 0.5817-0.1821-1.0762 ( 1884 PWs) bands (ev): -62.3835 -62.3835 -33.8276 -33.8276 -24.2134 -24.2134 -23.9046 -23.9046 -4.9681 -4.9681 -2.8710 -2.8710 3.6700 3.6700 6.7414 6.7414 8.9434 8.9434 9.0919 9.0919 10.3095 10.3095 12.0119 12.0119 12.2827 12.2827 13.0397 13.0397 13.8269 13.8269 16.3393 16.3393 k = 0.5772-0.1647-1.0762 ( 1882 PWs) bands (ev): -62.3838 -62.3838 -33.8268 -33.8268 -24.2177 -24.2177 -23.8964 -23.8964 -5.0061 -5.0061 -2.8440 -2.8440 3.7512 3.7512 6.6956 6.6956 8.8687 8.8687 9.1133 9.1133 10.2618 10.2618 12.0397 12.0397 12.2319 12.2319 13.1471 13.1471 13.8208 13.8208 16.4139 16.4139 k = 0.5726-0.1473-1.0762 ( 1882 PWs) bands (ev): -62.3841 -62.3841 -33.8261 -33.8261 -24.2217 -24.2217 -23.8884 -23.8884 -5.0419 -5.0419 -2.8193 -2.8193 3.8340 3.8340 6.6514 6.6514 8.7917 8.7917 9.1387 9.1387 10.2139 10.2139 11.9851 11.9851 12.2643 12.2643 13.2560 13.2560 13.8172 13.8172 16.4869 16.4869 k = 0.5681-0.1300-1.0762 ( 1880 PWs) bands (ev): -62.3844 -62.3844 -33.8255 -33.8255 -24.2256 -24.2256 -23.8808 -23.8808 -5.0756 -5.0756 -2.7968 -2.7968 3.9179 3.9179 6.6089 6.6089 8.7169 8.7169 9.1638 9.1638 10.1656 10.1656 11.8951 11.8951 12.3336 12.3336 13.3654 13.3654 13.8164 13.8164 16.5582 16.5582 k = 0.5636-0.1126-1.0762 ( 1880 PWs) bands (ev): -62.3847 -62.3847 -33.8248 -33.8248 -24.2293 -24.2293 -23.8734 -23.8734 -5.1071 -5.1071 -2.7764 -2.7764 4.0024 4.0024 6.5680 6.5680 8.6456 8.6456 9.1876 9.1876 10.1170 10.1170 11.7996 11.7996 12.4105 12.4105 13.4740 13.4740 13.8191 13.8191 16.6275 16.6275 k = 0.5590-0.0952-1.0762 ( 1880 PWs) bands (ev): -62.3849 -62.3849 -33.8242 -33.8242 -24.2327 -24.2327 -23.8664 -23.8664 -5.1365 -5.1365 -2.7579 -2.7579 4.0868 4.0868 6.5289 6.5289 8.5782 8.5782 9.2097 9.2097 10.0681 10.0681 11.7057 11.7057 12.4882 12.4882 13.5783 13.5783 13.8282 13.8282 16.6948 16.6948 k = 0.5545-0.0778-1.0762 ( 1880 PWs) bands (ev): -62.3852 -62.3852 -33.8236 -33.8236 -24.2359 -24.2359 -23.8598 -23.8598 -5.1637 -5.1637 -2.7414 -2.7414 4.1704 4.1704 6.4916 6.4916 8.5153 8.5153 9.2301 9.2301 10.0191 10.0191 11.6160 11.6160 12.5643 12.5643 13.6695 13.6695 13.8520 13.8520 16.7595 16.7595 k = 0.5499-0.0605-1.0762 ( 1880 PWs) bands (ev): -62.3854 -62.3854 -33.8230 -33.8230 -24.2389 -24.2389 -23.8537 -23.8537 -5.1887 -5.1887 -2.7265 -2.7265 4.2526 4.2526 6.4561 6.4561 8.4569 8.4569 9.2487 9.2487 9.9703 9.9703 11.5319 11.5319 12.6377 12.6377 13.7303 13.7303 13.9073 13.9073 16.8214 16.8214 k = 0.5454-0.0431-1.0762 ( 1878 PWs) bands (ev): -62.3856 -62.3856 -33.8225 -33.8225 -24.2416 -24.2416 -23.8479 -23.8479 -5.2115 -5.2115 -2.7134 -2.7134 4.3324 4.3324 6.4225 6.4225 8.4031 8.4031 9.2656 9.2656 9.9219 9.9219 11.4542 11.4542 12.7075 12.7075 13.7588 13.7588 13.9951 13.9951 16.8796 16.8796 k = 0.5409-0.0257-1.0762 ( 1880 PWs) bands (ev): -62.3858 -62.3858 -33.8220 -33.8220 -24.2441 -24.2441 -23.8427 -23.8427 -5.2322 -5.2322 -2.7017 -2.7017 4.4092 4.4092 6.3910 6.3910 8.3543 8.3543 9.2808 9.2808 9.8746 9.8746 11.3834 11.3834 12.7728 12.7728 13.7725 13.7725 14.0973 14.0973 16.9317 16.9317 k = 0.5363-0.0083-1.0762 ( 1880 PWs) bands (ev): -62.3860 -62.3860 -33.8216 -33.8216 -24.2463 -24.2463 -23.8379 -23.8379 -5.2507 -5.2507 -2.6916 -2.6916 4.4819 4.4819 6.3616 6.3616 8.3103 8.3103 9.2942 9.2942 9.8290 9.8290 11.3200 11.3200 12.8331 12.8331 13.7808 13.7808 14.2030 14.2030 16.9616 16.9616 k = 0.5318 0.0090-1.0762 ( 1884 PWs) bands (ev): -62.3862 -62.3862 -33.8212 -33.8212 -24.2483 -24.2483 -23.8337 -23.8337 -5.2671 -5.2671 -2.6828 -2.6828 4.5495 4.5495 6.3347 6.3347 8.2714 8.2714 9.3059 9.3059 9.7858 9.7858 11.2642 11.2642 12.8877 12.8877 13.7871 13.7871 14.3079 14.3079 16.9088 16.9088 k = 0.5272 0.0264-1.0762 ( 1884 PWs) bands (ev): -62.3863 -62.3863 -33.8208 -33.8208 -24.2500 -24.2500 -23.8300 -23.8300 -5.2812 -5.2812 -2.6754 -2.6754 4.6111 4.6111 6.3104 6.3104 8.2375 8.2375 9.3161 9.3161 9.7458 9.7458 11.2160 11.2160 12.9361 12.9361 13.7925 13.7925 14.4089 14.4089 16.8184 16.8184 k = 0.5227 0.0438-1.0762 ( 1882 PWs) bands (ev): -62.3865 -62.3865 -33.8205 -33.8205 -24.2515 -24.2515 -23.8268 -23.8268 -5.2932 -5.2932 -2.6692 -2.6692 4.6657 4.6657 6.2890 6.2890 8.2088 8.2088 9.3246 9.3246 9.7100 9.7100 11.1755 11.1755 12.9777 12.9777 13.7972 13.7972 14.5034 14.5034 16.7276 16.7276 k = 0.5182 0.0612-1.0762 ( 1882 PWs) bands (ev): -62.3866 -62.3866 -33.8203 -33.8203 -24.2527 -24.2527 -23.8241 -23.8241 -5.3030 -5.3030 -2.6642 -2.6642 4.7121 4.7121 6.2708 6.2708 8.1853 8.1853 9.3315 9.3315 9.6793 9.6793 11.1426 11.1426 13.0122 13.0122 13.8014 13.8014 14.5886 14.5886 16.6438 16.6438 k = 0.5136 0.0785-1.0762 ( 1886 PWs) bands (ev): -62.3867 -62.3867 -33.8201 -33.8201 -24.2536 -24.2536 -23.8221 -23.8221 -5.3106 -5.3106 -2.6604 -2.6604 4.7495 4.7495 6.2561 6.2561 8.1669 8.1669 9.3368 9.3368 9.6544 9.6544 11.1171 11.1171 13.0393 13.0393 13.8049 13.8049 14.6609 14.6609 16.5719 16.5719 k = 0.5091 0.0959-1.0762 ( 1884 PWs) bands (ev): -62.3867 -62.3867 -33.8200 -33.8200 -24.2543 -24.2543 -23.8206 -23.8206 -5.3161 -5.3161 -2.6577 -2.6577 4.7769 4.7769 6.2454 6.2454 8.1538 8.1538 9.3407 9.3407 9.6361 9.6361 11.0990 11.0990 13.0588 13.0588 13.8076 13.8076 14.7166 14.7166 16.5161 16.5161 k = 0.5045 0.1133-1.0762 ( 1878 PWs) bands (ev): -62.3867 -62.3867 -33.8199 -33.8199 -24.2547 -24.2547 -23.8197 -23.8197 -5.3194 -5.3194 -2.6561 -2.6561 4.7936 4.7936 6.2388 6.2388 8.1459 8.1459 9.3430 9.3430 9.6249 9.6249 11.0882 11.0882 13.0705 13.0705 13.8093 13.8093 14.7520 14.7520 16.4805 16.4805 k = 0.5000 0.1307-1.0762 ( 1878 PWs) bands (ev): -62.3868 -62.3868 -33.8198 -33.8198 -24.2548 -24.2548 -23.8194 -23.8194 -5.3204 -5.3204 -2.6555 -2.6555 4.7993 4.7993 6.2366 6.2366 8.1432 8.1432 9.3437 9.3437 9.6211 9.6211 11.0846 11.0846 13.0744 13.0744 13.8099 13.8099 14.7642 14.7642 16.4683 16.4683 k = 0.5000 0.1307-1.0762 ( 1878 PWs) bands (ev): -62.3868 -62.3868 -33.8198 -33.8198 -24.2548 -24.2548 -23.8194 -23.8194 -5.3204 -5.3204 -2.6555 -2.6555 4.7993 4.7993 6.2366 6.2366 8.1432 8.1432 9.3437 9.3437 9.6211 9.6211 11.0846 11.0846 13.0744 13.0744 13.8099 13.8099 14.7642 14.7642 16.4683 16.4683 k = 0.5144 0.1344-1.0690 ( 1878 PWs) bands (ev): -62.3868 -62.3868 -33.8198 -33.8198 -24.2548 -24.2548 -23.8194 -23.8194 -5.3209 -5.3209 -2.6550 -2.6550 4.7993 4.7993 6.2375 6.2375 8.1432 8.1432 9.3266 9.3266 9.6368 9.6368 11.0871 11.0871 13.0744 13.0744 13.8055 13.8055 14.7653 14.7653 16.4679 16.4679 k = 0.5289 0.1382-1.0619 ( 1878 PWs) bands (ev): -62.3868 -62.3868 -33.8198 -33.8198 -24.2547 -24.2547 -23.8194 -23.8194 -5.3222 -5.3222 -2.6533 -2.6533 4.7993 4.7993 6.2403 6.2403 8.1432 8.1432 9.2837 9.2837 9.6753 9.6753 11.0944 11.0944 13.0741 13.0741 13.7925 13.7925 14.7685 14.7685 16.4668 16.4668 k = 0.5433 0.1420-1.0547 ( 1880 PWs) bands (ev): -62.3868 -62.3868 -33.8198 -33.8198 -24.2547 -24.2547 -23.8193 -23.8193 -5.3243 -5.3243 -2.6505 -2.6505 4.7994 4.7994 6.2449 6.2449 8.1432 8.1432 9.2273 9.2273 9.7243 9.7243 11.1067 11.1067 13.0737 13.0737 13.7716 13.7716 14.7732 14.7732 16.4649 16.4649 k = 0.5578 0.1458-1.0475 ( 1880 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2545 -24.2545 -23.8193 -23.8193 -5.3273 -5.3273 -2.6466 -2.6466 4.7995 4.7995 6.2514 6.2514 8.1431 8.1431 9.1648 9.1648 9.7766 9.7766 11.1239 11.1239 13.0728 13.0728 13.7438 13.7438 14.7787 14.7787 16.4623 16.4623 k = 0.5722 0.1495-1.0403 ( 1882 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2544 -24.2544 -23.8192 -23.8192 -5.3311 -5.3311 -2.6416 -2.6416 4.7997 4.7997 6.2596 6.2596 8.1430 8.1430 9.0993 9.0993 9.8288 9.8288 11.1459 11.1459 13.0713 13.0713 13.7103 13.7103 14.7842 14.7842 16.4590 16.4590 k = 0.5867 0.1533-1.0332 ( 1885 PWs) bands (ev): -62.3869 -62.3869 -33.8196 -33.8196 -24.2542 -24.2542 -23.8191 -23.8191 -5.3358 -5.3358 -2.6356 -2.6356 4.7999 4.7999 6.2695 6.2695 8.1426 8.1426 9.0329 9.0329 9.8792 9.8792 11.1726 11.1726 13.0689 13.0689 13.6725 13.6725 14.7886 14.7886 16.4550 16.4550 k = 0.6011 0.1571-1.0260 ( 1885 PWs) bands (ev): -62.3869 -62.3869 -33.8195 -33.8195 -24.2540 -24.2540 -23.8190 -23.8190 -5.3413 -5.3413 -2.6285 -2.6285 4.8002 4.8002 6.2811 6.2811 8.1420 8.1420 8.9666 8.9666 9.9268 9.9268 11.2038 11.2038 13.0652 13.0652 13.6319 13.6319 14.7911 14.7911 16.4502 16.4502 k = 0.6156 0.1608-1.0188 ( 1885 PWs) bands (ev): -62.3869 -62.3869 -33.8194 -33.8194 -24.2537 -24.2537 -23.8188 -23.8188 -5.3475 -5.3475 -2.6203 -2.6203 4.8005 4.8005 6.2943 6.2943 8.1409 8.1409 8.9012 8.9012 9.9712 9.9712 11.2392 11.2392 13.0596 13.0596 13.5901 13.5901 14.7910 14.7910 16.4448 16.4448 k = 0.6300 0.1646-1.0117 ( 1887 PWs) bands (ev): -62.3870 -62.3870 -33.8193 -33.8193 -24.2534 -24.2534 -23.8187 -23.8187 -5.3546 -5.3546 -2.6111 -2.6111 4.8009 4.8009 6.3089 6.3089 8.1393 8.1393 8.8374 8.8374 10.0121 10.0121 11.2783 11.2783 13.0515 13.0515 13.5488 13.5488 14.7876 14.7876 16.4387 16.4387 k = 0.6445 0.1684-1.0045 ( 1883 PWs) bands (ev): -62.3870 -62.3870 -33.8191 -33.8191 -24.2530 -24.2530 -23.8185 -23.8185 -5.3624 -5.3624 -2.6010 -2.6010 4.8013 4.8013 6.3250 6.3250 8.1370 8.1370 8.7757 8.7757 10.0496 10.0496 11.3204 11.3204 13.0402 13.0402 13.5094 13.5094 14.7805 14.7805 16.4319 16.4319 k = 0.6589 0.1722-0.9973 ( 1880 PWs) bands (ev): -62.3871 -62.3871 -33.8190 -33.8190 -24.2526 -24.2526 -23.8183 -23.8183 -5.3709 -5.3709 -2.5899 -2.5899 4.8019 4.8019 6.3423 6.3423 8.1336 8.1336 8.7169 8.7169 10.0837 10.0837 11.3649 11.3649 13.0249 13.0249 13.4738 13.4738 14.7693 14.7693 16.4244 16.4244 k = 0.6589 0.1722-0.9973 ( 1880 PWs) bands (ev): -62.3871 -62.3871 -33.8190 -33.8190 -24.2526 -24.2526 -23.8183 -23.8183 -5.3709 -5.3709 -2.5899 -2.5899 4.8019 4.8019 6.3423 6.3423 8.1336 8.1336 8.7169 8.7169 10.0837 10.0837 11.3649 11.3649 13.0249 13.0249 13.4738 13.4738 14.7693 14.7693 16.4244 16.4244 k = 0.6563 0.1715-0.9794 ( 1880 PWs) bands (ev): -62.3873 -62.3873 -33.8183 -33.8183 -24.2509 -24.2509 -23.8173 -23.8173 -5.4050 -5.4050 -2.5440 -2.5440 4.8076 4.8076 6.3187 6.3187 8.1415 8.1415 8.7102 8.7102 10.0885 10.0885 11.3930 11.3930 13.0321 13.0321 13.4780 13.4780 14.7198 14.7198 16.3913 16.3913 k = 0.6536 0.1708-0.9615 ( 1882 PWs) bands (ev): -62.3876 -62.3876 -33.8174 -33.8174 -24.2487 -24.2487 -23.8161 -23.8161 -5.4475 -5.4475 -2.4864 -2.4864 4.8151 4.8151 6.2893 6.2893 8.1490 8.1490 8.7112 8.7112 10.0944 10.0944 11.4226 11.4226 13.0389 13.0389 13.4788 13.4788 14.6567 14.6567 16.3489 16.3490 k = 0.6510 0.1701-0.9435 ( 1883 PWs) bands (ev): -62.3880 -62.3880 -33.8164 -33.8164 -24.2460 -24.2460 -23.8146 -23.8146 -5.4974 -5.4974 -2.4182 -2.4182 4.8242 4.8242 6.2543 6.2543 8.1563 8.1563 8.7196 8.7196 10.1012 10.1012 11.4538 11.4538 13.0451 13.0451 13.4752 13.4752 14.5831 14.5831 16.2975 16.2975 k = 0.6483 0.1694-0.9256 ( 1883 PWs) bands (ev): -62.3885 -62.3885 -33.8151 -33.8151 -24.2429 -24.2429 -23.8128 -23.8128 -5.5537 -5.5537 -2.3404 -2.3404 4.8349 4.8349 6.2141 6.2141 8.1639 8.1639 8.7348 8.7348 10.1089 10.1089 11.4863 11.4863 13.0503 13.0503 13.4662 13.4662 14.5025 14.5025 16.2372 16.2372 k = 0.6457 0.1687-0.9076 ( 1882 PWs) bands (ev): -62.3890 -62.3890 -33.8137 -33.8137 -24.2393 -24.2393 -23.8107 -23.8107 -5.6154 -5.6154 -2.2540 -2.2540 4.8473 4.8473 6.1690 6.1690 8.1719 8.1719 8.7562 8.7562 10.1173 10.1173 11.5198 11.5198 13.0541 13.0541 13.4507 13.4507 14.4186 14.4186 16.1687 16.1687 k = 0.6430 0.1680-0.8897 ( 1884 PWs) bands (ev): -62.3896 -62.3896 -33.8121 -33.8121 -24.2353 -24.2353 -23.8083 -23.8083 -5.6816 -5.6816 -2.1599 -2.1599 4.8613 4.8613 6.1194 6.1194 8.1808 8.1808 8.7829 8.7829 10.1262 10.1262 11.5541 11.5541 13.0553 13.0553 13.4279 13.4279 14.3356 14.3356 16.0925 16.0925 k = 0.6404 0.1673-0.8718 ( 1885 PWs) bands (ev): -62.3902 -62.3902 -33.8103 -33.8103 -24.2309 -24.2309 -23.8056 -23.8056 -5.7514 -5.7514 -2.0590 -2.0590 4.8769 4.8769 6.0658 6.0658 8.1909 8.1909 8.8145 8.8145 10.1355 10.1355 11.5889 11.5889 13.0523 13.0523 13.3976 13.3976 14.2573 14.2573 16.0090 16.0090 k = 0.6377 0.1666-0.8538 ( 1885 PWs) bands (ev): -62.3909 -62.3909 -33.8084 -33.8084 -24.2261 -24.2261 -23.8026 -23.8026 -5.8240 -5.8240 -1.9520 -1.9520 4.8941 4.8941 6.0086 6.0086 8.2022 8.2022 8.8501 8.8501 10.1451 10.1451 11.6235 11.6235 13.0418 13.0418 13.3617 13.3617 14.1873 14.1873 15.9191 15.9191 k = 0.6351 0.1659-0.8359 ( 1881 PWs) bands (ev): -62.3917 -62.3917 -33.8062 -33.8062 -24.2209 -24.2209 -23.7992 -23.7992 -5.8989 -5.8989 -1.8397 -1.8397 4.9129 4.9129 5.9482 5.9482 8.2150 8.2150 8.8894 8.8894 10.1546 10.1546 11.6574 11.6574 13.0189 13.0189 13.3251 13.3251 14.1276 14.1276 15.8234 15.8234 k = 0.6324 0.1653-0.8180 ( 1885 PWs) bands (ev): -62.3926 -62.3926 -33.8039 -33.8039 -24.2155 -24.2155 -23.7955 -23.7955 -5.9755 -5.9755 -1.7226 -1.7226 4.9333 4.9333 5.8851 5.8851 8.2291 8.2291 8.9317 8.9317 10.1640 10.1640 11.6896 11.6896 12.9783 12.9783 13.2947 13.2947 14.0789 14.0789 15.7224 15.7224 k = 0.6298 0.1646-0.8000 ( 1881 PWs) bands (ev): -62.3935 -62.3935 -33.8015 -33.8015 -24.2097 -24.2097 -23.7915 -23.7915 -6.0532 -6.0532 -1.6012 -1.6012 4.9551 4.9551 5.8197 5.8197 8.2446 8.2446 8.9769 8.9769 10.1730 10.1730 11.7189 11.7189 12.9183 12.9183 13.2751 13.2751 14.0406 14.0406 15.6170 15.6170 k = 0.6271 0.1639-0.7821 ( 1881 PWs) bands (ev): -62.3944 -62.3944 -33.7989 -33.7989 -24.2036 -24.2036 -23.7871 -23.7871 -6.1317 -6.1317 -1.4759 -1.4759 4.9785 4.9785 5.7523 5.7523 8.2612 8.2612 9.0244 9.0244 10.1814 10.1814 11.7436 11.7436 12.8435 12.8435 13.2664 13.2664 14.0109 14.0109 15.5077 15.5077 k = 0.6245 0.1632-0.7642 ( 1879 PWs) bands (ev): -62.3954 -62.3954 -33.7961 -33.7961 -24.1973 -24.1973 -23.7823 -23.7823 -6.2107 -6.2107 -1.3472 -1.3472 5.0034 5.0034 5.6834 5.6834 8.2787 8.2787 9.0740 9.0740 10.1889 10.1889 11.7610 11.7610 12.7621 12.7621 13.2656 13.2656 13.9882 13.9882 15.3952 15.3952 k = 0.6218 0.1625-0.7462 ( 1877 PWs) bands (ev): -62.3964 -62.3964 -33.7932 -33.7932 -24.1908 -24.1908 -23.7771 -23.7771 -6.2897 -6.2897 -1.2154 -1.2154 5.0297 5.0297 5.6133 5.6133 8.2968 8.2968 9.1255 9.1255 10.1955 10.1955 11.7679 11.7679 12.6826 12.6826 13.2700 13.2700 13.9708 13.9708 15.2800 15.2800 k = 0.6192 0.1618-0.7283 ( 1886 PWs) bands (ev): -62.3976 -62.3976 -33.7903 -33.7903 -24.1842 -24.1842 -23.7716 -23.7716 -6.3686 -6.3686 -1.0808 -1.0808 5.0574 5.0574 5.5422 5.5422 8.3152 8.3152 9.1788 9.1788 10.2006 10.2006 11.7604 11.7604 12.6131 12.6131 13.2778 13.2778 13.9573 13.9573 15.1627 15.1627 k = 0.6165 0.1611-0.7103 ( 1885 PWs) bands (ev): -62.3987 -62.3987 -33.7871 -33.7871 -24.1773 -24.1773 -23.7657 -23.7657 -6.4471 -6.4471 -0.9437 -0.9437 5.0865 5.0865 5.4706 5.4706 8.3333 8.3333 9.2336 9.2336 10.2041 10.2041 11.7348 11.7348 12.5601 12.5601 13.2878 13.2878 13.9468 13.9468 15.0439 15.0439 k = 0.6139 0.1604-0.6924 ( 1890 PWs) bands (ev): -62.3999 -62.3999 -33.7839 -33.7839 -24.1704 -24.1704 -23.7594 -23.7594 -6.5251 -6.5251 -0.8042 -0.8042 5.1170 5.1170 5.3985 5.3985 8.3507 8.3507 9.2899 9.2899 10.2058 10.2058 11.6899 11.6899 12.5273 12.5273 13.2993 13.2993 13.9385 13.9385 14.9240 14.9240 k = 0.6112 0.1597-0.6745 ( 1890 PWs) bands (ev): -62.4011 -62.4011 -33.7806 -33.7806 -24.1635 -24.1635 -23.7526 -23.7526 -6.6023 -6.6023 -0.6627 -0.6627 5.1487 5.1487 5.3264 5.3264 8.3669 8.3669 9.3474 9.3474 10.2054 10.2054 11.6276 11.6276 12.5144 12.5144 13.3118 13.3118 13.9318 13.9318 14.8037 14.8037 k = 0.6086 0.1590-0.6565 ( 1892 PWs) bands (ev): -62.4024 -62.4024 -33.7772 -33.7772 -24.1564 -24.1564 -23.7455 -23.7455 -6.6786 -6.6786 -0.5193 -0.5193 5.1817 5.1817 5.2545 5.2545 8.3811 8.3811 9.4061 9.4061 10.2026 10.2026 11.5526 11.5526 12.5185 12.5185 13.3248 13.3248 13.9262 13.9262 14.6834 14.6834 k = 0.6059 0.1583-0.6386 ( 1894 PWs) bands (ev): -62.4037 -62.4037 -33.7737 -33.7737 -24.1494 -24.1494 -23.7380 -23.7380 -6.7540 -6.7540 -0.3742 -0.3742 5.1826 5.1826 5.2162 5.2162 8.3927 8.3927 9.4659 9.4659 10.1973 10.1973 11.4703 11.4703 12.5354 12.5354 13.3381 13.3381 13.9215 13.9215 14.5637 14.5637 k = 0.6033 0.1576-0.6207 ( 1893 PWs) bands (ev): -62.4050 -62.4050 -33.7701 -33.7701 -24.1425 -24.1425 -23.7300 -23.7300 -6.8282 -6.8282 -0.2277 -0.2277 5.1117 5.1117 5.2515 5.2515 8.4008 8.4008 9.5267 9.5267 10.1895 10.1895 11.3853 11.3853 12.5615 12.5615 13.3512 13.3512 13.9171 13.9171 14.4453 14.4453 k = 0.6006 0.1569-0.6027 ( 1897 PWs) bands (ev): -62.4063 -62.4063 -33.7664 -33.7664 -24.1355 -24.1355 -23.7216 -23.7216 -6.9011 -6.9011 -0.0799 -0.0799 5.0415 5.0415 5.2880 5.2880 8.4046 8.4046 9.5883 9.5883 10.1790 10.1790 11.3015 11.3015 12.5939 12.5939 13.3639 13.3639 13.9127 13.9127 14.3293 14.3293 k = 0.5980 0.1563-0.5848 ( 1902 PWs) bands (ev): -62.4077 -62.4077 -33.7627 -33.7627 -24.1287 -24.1287 -23.7129 -23.7129 -6.9728 -6.9728 0.0691 0.0691 4.9722 4.9722 5.3256 5.3256 8.4033 8.4033 9.6506 9.6506 10.1661 10.1661 11.2215 11.2215 12.6306 12.6306 13.3756 13.3756 13.9072 13.9072 14.2171 14.2171 k = 0.5953 0.1556-0.5668 ( 1902 PWs) bands (ev): -62.4091 -62.4091 -33.7590 -33.7590 -24.1220 -24.1220 -23.7037 -23.7037 -7.0431 -7.0431 0.2189 0.2189 4.9042 4.9042 5.3641 5.3641 8.3961 8.3961 9.7136 9.7136 10.1512 10.1512 11.1471 11.1471 12.6701 12.6701 13.3856 13.3856 13.8977 13.8977 14.1125 14.1125 k = 0.5927 0.1549-0.5489 ( 1904 PWs) bands (ev): -62.4105 -62.4105 -33.7552 -33.7552 -24.1154 -24.1154 -23.6942 -23.6942 -7.1119 -7.1119 0.3695 0.3695 4.8375 4.8375 5.4037 5.4037 8.3820 8.3820 9.7770 9.7770 10.1347 10.1347 11.0797 11.0797 12.7114 12.7114 13.3930 13.3930 13.8752 13.8752 14.0257 14.0257 k = 0.5900 0.1542-0.5310 ( 1904 PWs) bands (ev): -62.4119 -62.4119 -33.7513 -33.7513 -24.1090 -24.1090 -23.6843 -23.6843 -7.1792 -7.1792 0.5206 0.5206 4.7725 4.7725 5.4441 5.4441 8.3607 8.3607 9.8408 9.8408 10.1169 10.1169 11.0199 11.0199 12.7537 12.7537 13.3959 13.3959 13.8232 13.8232 13.9754 13.9754 k = 0.5874 0.1535-0.5130 ( 1906 PWs) bands (ev): -62.4133 -62.4133 -33.7475 -33.7475 -24.1028 -24.1028 -23.6741 -23.6741 -7.2449 -7.2449 0.6720 0.6720 4.7094 4.7094 5.4853 5.4853 8.3316 8.3316 9.9046 9.9046 10.0984 10.0984 10.9681 10.9681 12.7962 12.7962 13.3909 13.3909 13.7493 13.7493 13.9575 13.9575 k = 0.5847 0.1528-0.4951 ( 1904 PWs) bands (ev): -62.4148 -62.4148 -33.7436 -33.7436 -24.0967 -24.0967 -23.6635 -23.6635 -7.3090 -7.3090 0.8234 0.8234 4.6485 4.6485 5.5272 5.5272 8.2947 8.2947 9.9677 9.9677 10.0797 10.0797 10.9246 10.9246 12.8384 12.8384 13.3723 13.3723 13.6787 13.6787 13.9528 13.9528 k = 0.5821 0.1521-0.4772 ( 1904 PWs) bands (ev): -62.4162 -62.4162 -33.7397 -33.7397 -24.0908 -24.0908 -23.6527 -23.6527 -7.3714 -7.3714 0.9745 0.9745 4.5900 4.5900 5.5698 5.5698 8.2502 8.2502 10.0252 10.0252 10.0654 10.0654 10.8896 10.8896 12.8795 12.8795 13.3335 13.3335 13.6265 13.6265 13.9536 13.9536 k = 0.5795 0.1514-0.4592 ( 1903 PWs) bands (ev): -62.4176 -62.4176 -33.7359 -33.7359 -24.0852 -24.0852 -23.6417 -23.6417 -7.4321 -7.4321 1.1251 1.1251 4.5343 4.5343 5.6130 5.6130 8.1985 8.1985 10.0288 10.0288 10.1026 10.1026 10.8635 10.8635 12.9181 12.9181 13.2743 13.2743 13.5966 13.5966 13.9573 13.9573 k = 0.5768 0.1507-0.4413 ( 1907 PWs) bands (ev): -62.4191 -62.4191 -33.7321 -33.7321 -24.0797 -24.0797 -23.6304 -23.6304 -7.4911 -7.4911 1.2746 1.2746 4.4818 4.4818 5.6566 5.6566 8.1405 8.1405 10.0049 10.0049 10.1638 10.1638 10.8465 10.8465 12.9512 12.9512 13.2044 13.2044 13.5831 13.5831 13.9631 13.9631 k = 0.5742 0.1500-0.4234 ( 1905 PWs) bands (ev): -62.4205 -62.4205 -33.7282 -33.7282 -24.0745 -24.0745 -23.6190 -23.6190 -7.5483 -7.5483 1.4227 1.4227 4.4329 4.4329 5.7006 5.7006 8.0769 8.0769 9.9750 9.9750 10.2260 10.2260 10.8390 10.8390 12.9689 12.9689 13.1410 13.1410 13.5789 13.5789 13.9706 13.9706 k = 0.5715 0.1493-0.4054 ( 1905 PWs) bands (ev): -62.4219 -62.4219 -33.7245 -33.7245 -24.0695 -24.0695 -23.6074 -23.6074 -7.6037 -7.6037 1.5689 1.5689 4.3883 4.3883 5.7448 5.7448 8.0088 8.0088 9.9391 9.9391 10.2877 10.2877 10.8414 10.8414 12.9462 12.9462 13.1139 13.1139 13.5799 13.5799 13.9796 13.9796 k = 0.5689 0.1486-0.3875 ( 1908 PWs) bands (ev): -62.4233 -62.4233 -33.7208 -33.7208 -24.0647 -24.0647 -23.5958 -23.5958 -7.6572 -7.6572 1.7123 1.7123 4.3484 4.3484 5.7893 5.7893 7.9372 7.9372 9.8963 9.8963 10.3487 10.3487 10.8533 10.8533 12.8819 12.8819 13.1264 13.1264 13.5837 13.5837 13.9899 13.9899 k = 0.5662 0.1480-0.3695 ( 1914 PWs) bands (ev): -62.4246 -62.4246 -33.7171 -33.7171 -24.0602 -24.0602 -23.5841 -23.5841 -7.7089 -7.7089 1.8523 1.8523 4.3143 4.3143 5.8338 5.8338 7.8630 7.8630 9.8460 9.8460 10.4088 10.4088 10.8745 10.8745 12.8029 12.8029 13.1528 13.1528 13.5896 13.5896 14.0013 14.0013 k = 0.5636 0.1473-0.3516 ( 1914 PWs) bands (ev): -62.4260 -62.4260 -33.7135 -33.7135 -24.0559 -24.0559 -23.5724 -23.5724 -7.7587 -7.7587 1.9880 1.9880 4.2867 4.2867 5.8782 5.8782 7.7872 7.7872 9.7879 9.7879 10.4680 10.4680 10.9040 10.9040 12.7208 12.7208 13.1818 13.1818 13.5973 13.5973 14.0137 14.0137 k = 0.5609 0.1466-0.3337 ( 1910 PWs) bands (ev): -62.4273 -62.4273 -33.7100 -33.7100 -24.0517 -24.0517 -23.5607 -23.5607 -7.8066 -7.8066 2.1180 2.1180 4.2670 4.2670 5.9225 5.9225 7.7106 7.7106 9.7220 9.7220 10.5263 10.5263 10.9409 10.9409 12.6394 12.6394 13.2100 13.2100 13.6069 13.6069 14.0268 14.0268 k = 0.5583 0.1459-0.3157 ( 1903 PWs) bands (ev): -62.4286 -62.4286 -33.7065 -33.7065 -24.0478 -24.0478 -23.5491 -23.5491 -7.8526 -7.8526 2.2411 2.2411 4.2563 4.2563 5.9665 5.9665 7.6340 7.6340 9.6485 9.6485 10.5837 10.5837 10.9838 10.9838 12.5601 12.5601 13.2358 13.2358 13.6188 13.6188 14.0405 14.0405 k = 0.5556 0.1452-0.2978 ( 1905 PWs) bands (ev): -62.4298 -62.4298 -33.7032 -33.7032 -24.0441 -24.0441 -23.5377 -23.5377 -7.8966 -7.8966 2.3559 2.3559 4.2562 4.2562 6.0101 6.0101 7.5579 7.5579 9.5676 9.5676 10.6403 10.6403 11.0317 11.0317 12.4835 12.4835 13.2584 13.2584 13.6334 13.6334 14.0546 14.0546 k = 0.5530 0.1445-0.2799 ( 1902 PWs) bands (ev): -62.4310 -62.4310 -33.6999 -33.6999 -24.0406 -24.0406 -23.5264 -23.5264 -7.9387 -7.9387 2.4606 2.4606 4.2683 4.2683 6.0531 6.0531 7.4831 7.4831 9.4799 9.4799 10.6958 10.6958 11.0833 11.0833 12.4104 12.4104 13.2773 13.2773 13.6508 13.6508 14.0689 14.0689 k = 0.5503 0.1438-0.2619 ( 1902 PWs) bands (ev): -62.4322 -62.4322 -33.6967 -33.6967 -24.0374 -24.0374 -23.5153 -23.5153 -7.9788 -7.9788 2.5538 2.5538 4.2940 4.2940 6.0953 6.0953 7.4098 7.4098 9.3858 9.3858 10.7503 10.7503 11.1377 11.1377 12.3410 12.3410 13.2923 13.2923 13.6713 13.6713 14.0832 14.0832 k = 0.5477 0.1431-0.2440 ( 1900 PWs) bands (ev): -62.4334 -62.4334 -33.6937 -33.6937 -24.0343 -24.0343 -23.5046 -23.5046 -8.0169 -8.0169 2.6343 2.6343 4.3346 4.3346 6.1368 6.1368 7.3387 7.3387 9.2856 9.2856 10.8033 10.8033 11.1940 11.1940 12.2757 12.2757 13.3034 13.3034 13.6948 13.6948 14.0972 14.0972 k = 0.5450 0.1424-0.2261 ( 1900 PWs) bands (ev): -62.4345 -62.4345 -33.6908 -33.6908 -24.0314 -24.0314 -23.4941 -23.4941 -8.0531 -8.0531 2.7015 2.7015 4.3905 4.3905 6.1772 6.1772 7.2700 7.2700 9.1799 9.1799 10.8547 10.8547 11.2513 11.2513 12.2147 12.2147 13.3109 13.3109 13.7209 13.7209 14.1107 14.1107 k = 0.5424 0.1417-0.2081 ( 1900 PWs) bands (ev): -62.4355 -62.4355 -33.6880 -33.6880 -24.0287 -24.0287 -23.4840 -23.4840 -8.0872 -8.0872 2.7554 2.7554 4.4616 4.4616 6.2165 6.2165 7.2041 7.2041 9.0691 9.0691 10.9039 10.9039 11.3091 11.3091 12.1585 12.1585 13.3154 13.3154 13.7492 13.7492 14.1235 14.1235 k = 0.5397 0.1410-0.1902 ( 1893 PWs) bands (ev): -62.4365 -62.4365 -33.6853 -33.6853 -24.0261 -24.0261 -23.4742 -23.4742 -8.1193 -8.1193 2.7970 2.7970 4.5472 4.5472 6.2544 6.2544 7.1411 7.1411 8.9536 8.9536 10.9506 10.9506 11.3667 11.3667 12.1072 12.1072 13.3173 13.3173 13.7792 13.7792 14.1352 14.1352 k = 0.5371 0.1403-0.1722 ( 1894 PWs) bands (ev): -62.4374 -62.4374 -33.6828 -33.6828 -24.0238 -24.0238 -23.4649 -23.4649 -8.1494 -8.1494 2.8276 2.8276 4.6456 4.6456 6.2909 6.2909 7.0814 7.0814 8.8339 8.8339 10.9942 10.9942 11.4235 11.4235 12.0611 12.0611 13.3171 13.3171 13.8103 13.8103 14.1456 14.1456 k = 0.5344 0.1396-0.1543 ( 1896 PWs) bands (ev): -62.4383 -62.4383 -33.6804 -33.6804 -24.0216 -24.0216 -23.4561 -23.4561 -8.1774 -8.1774 2.8488 2.8488 4.7551 4.7551 6.3257 6.3257 7.0250 7.0250 8.7105 8.7105 11.0343 11.0343 11.4791 11.4791 12.0206 12.0206 13.3153 13.3153 13.8421 13.8421 14.1544 14.1544 k = 0.5318 0.1390-0.1364 ( 1898 PWs) bands (ev): -62.4392 -62.4392 -33.6782 -33.6782 -24.0196 -24.0196 -23.4478 -23.4478 -8.2034 -8.2034 2.8625 2.8625 4.8738 4.8738 6.3588 6.3588 6.9720 6.9720 8.5838 8.5838 11.0703 11.0703 11.5329 11.5329 11.9859 11.9859 13.3122 13.3122 13.8739 13.8739 14.1614 14.1614 k = 0.5291 0.1383-0.1184 ( 1898 PWs) bands (ev): -62.4399 -62.4399 -33.6762 -33.6762 -24.0178 -24.0178 -23.4401 -23.4401 -8.2273 -8.2273 2.8703 2.8703 4.9999 4.9999 6.3899 6.3899 6.9227 6.9227 8.4544 8.4544 11.1019 11.1019 11.5846 11.5846 11.9570 11.9570 13.3082 13.3082 13.9054 13.9054 14.1662 14.1662 k = 0.5265 0.1376-0.1005 ( 1898 PWs) bands (ev): -62.4407 -62.4407 -33.6743 -33.6743 -24.0162 -24.0162 -23.4328 -23.4328 -8.2492 -8.2492 2.8738 2.8738 5.1316 5.1316 6.4189 6.4189 6.8769 6.8769 8.3228 8.3228 11.1287 11.1287 11.6335 11.6335 11.9341 11.9341 13.3036 13.3036 13.9360 13.9360 14.1689 14.1689 k = 0.5238 0.1369-0.0826 ( 1897 PWs) bands (ev): -62.4413 -62.4413 -33.6726 -33.6726 -24.0147 -24.0147 -23.4262 -23.4262 -8.2690 -8.2690 2.8740 2.8740 5.2674 5.2674 6.4456 6.4456 6.8348 6.8348 8.1896 8.1896 11.1508 11.1508 11.6792 11.6792 11.9170 11.9170 13.2986 13.2986 13.9653 13.9653 14.1696 14.1696 k = 0.5212 0.1362-0.0646 ( 1897 PWs) bands (ev): -62.4419 -62.4419 -33.6710 -33.6710 -24.0133 -24.0133 -23.4203 -23.4203 -8.2867 -8.2867 2.8722 2.8722 5.4059 5.4059 6.4700 6.4700 6.7962 6.7962 8.0558 8.0558 11.1682 11.1682 11.7212 11.7212 11.9055 11.9055 13.2935 13.2935 13.9928 13.9928 14.1683 14.1683 k = 0.5185 0.1355-0.0467 ( 1899 PWs) bands (ev): -62.4424 -62.4424 -33.6696 -33.6696 -24.0122 -24.0122 -23.4149 -23.4149 -8.3024 -8.3024 2.8690 2.8690 5.5457 5.5457 6.4918 6.4918 6.7609 6.7609 7.9222 7.9222 11.1813 11.1813 11.7587 11.7587 11.8990 11.8990 13.2884 13.2884 14.0180 14.0180 14.1652 14.1652 k = 0.5159 0.1348-0.0288 ( 1905 PWs) bands (ev): -62.4429 -62.4429 -33.6685 -33.6685 -24.0112 -24.0112 -23.4103 -23.4103 -8.3159 -8.3159 2.8651 2.8651 5.6852 5.6852 6.5110 6.5110 6.7286 6.7286 7.7905 7.7905 11.1906 11.1906 11.7910 11.7910 11.8971 11.8971 13.2836 13.2836 14.0405 14.0405 14.1600 14.1600 k = 0.5132 0.1341-0.0108 ( 1908 PWs) bands (ev): -62.4433 -62.4433 -33.6674 -33.6674 -24.0104 -24.0104 -23.4063 -23.4063 -8.3274 -8.3274 2.8611 2.8611 5.8228 5.8228 6.5274 6.5274 6.6986 6.6986 7.6625 7.6625 11.1970 11.1970 11.8172 11.8172 11.8995 11.8995 13.2792 13.2792 14.0600 14.0600 14.1517 14.1517 k = 0.5106 0.1334 0.0071 ( 1908 PWs) bands (ev): -62.4436 -62.4436 -33.6666 -33.6666 -24.0097 -24.0097 -23.4030 -23.4030 -8.3368 -8.3368 2.8573 2.8573 5.9561 5.9561 6.5410 6.5410 6.6700 6.6700 7.5415 7.5415 11.2010 11.2010 11.8368 11.8368 11.9054 11.9054 13.2753 13.2753 14.0760 14.0760 14.1403 14.1403 k = 0.5079 0.1327 0.0251 ( 1910 PWs) bands (ev): -62.4438 -62.4438 -33.6660 -33.6660 -24.0091 -24.0091 -23.4005 -23.4005 -8.3442 -8.3442 2.8541 2.8541 6.0815 6.0815 6.5515 6.5515 6.6413 6.6413 7.4324 7.4324 11.2034 11.2034 11.8499 11.8499 11.9134 11.9134 13.2721 13.2721 14.0883 14.0883 14.1283 14.1283 k = 0.5053 0.1320 0.0430 ( 1904 PWs) bands (ev): -62.4440 -62.4440 -33.6655 -33.6655 -24.0087 -24.0087 -23.3986 -23.3986 -8.3494 -8.3494 2.8516 2.8516 6.1929 6.1929 6.5588 6.5588 6.6113 6.6113 7.3425 7.3425 11.2046 11.2046 11.8579 11.8579 11.9213 11.9213 13.2698 13.2698 14.0964 14.0964 14.1190 14.1190 k = 0.5026 0.1313 0.0609 ( 1908 PWs) bands (ev): -62.4441 -62.4441 -33.6652 -33.6652 -24.0085 -24.0085 -23.3975 -23.3975 -8.3525 -8.3525 2.8501 2.8501 6.2781 6.2781 6.5618 6.5618 6.5830 6.5830 7.2819 7.2819 11.2052 11.2052 11.8621 11.8621 11.9268 11.9268 13.2683 13.2683 14.0999 14.0999 14.1145 14.1145 k = 0.5000 0.1307 0.0789 ( 1914 PWs) bands (ev): -62.4442 -62.4442 -33.6651 -33.6651 -24.0085 -24.0085 -23.3972 -23.3972 -8.3536 -8.3536 2.8496 2.8496 6.3131 6.3131 6.5585 6.5585 6.5727 6.5727 7.2602 7.2602 11.2054 11.2054 11.8634 11.8634 11.9288 11.9288 13.2678 13.2678 14.1004 14.1004 14.1136 14.1136 k = 0.5000-0.8914-0.5381 ( 1858 PWs) bands (ev): -62.3867 -62.3867 -33.8197 -33.8197 -24.2547 -24.2547 -23.8193 -23.8193 -5.3480 -5.3480 -2.6301 -2.6301 4.7808 4.7808 6.9805 6.9805 7.7765 7.7765 8.1438 8.1438 10.6213 10.6213 11.2916 11.2916 12.7930 12.7930 13.4217 13.4217 14.4672 14.4672 16.4682 16.4682 k = 0.5159-0.8849-0.5342 ( 1858 PWs) bands (ev): -62.3867 -62.3867 -33.8197 -33.8197 -24.2547 -24.2547 -23.8193 -23.8193 -5.3480 -5.3480 -2.6300 -2.6300 4.7808 4.7808 6.9769 6.9769 7.7793 7.7793 8.1451 8.1451 10.6171 10.6171 11.2971 11.2971 12.7910 12.7910 13.4208 13.4208 14.4696 14.4696 16.4681 16.4681 k = 0.5318-0.8783-0.5302 ( 1856 PWs) bands (ev): -62.3867 -62.3867 -33.8197 -33.8197 -24.2546 -24.2546 -23.8193 -23.8193 -5.3481 -5.3481 -2.6297 -2.6297 4.7811 4.7811 6.9660 6.9660 7.7874 7.7874 8.1493 8.1493 10.6050 10.6050 11.3132 11.3132 12.7852 12.7852 13.4184 13.4184 14.4767 14.4767 16.4677 16.4677 k = 0.5477-0.8718-0.5263 ( 1858 PWs) bands (ev): -62.3867 -62.3867 -33.8197 -33.8197 -24.2546 -24.2546 -23.8193 -23.8193 -5.3483 -5.3483 -2.6293 -2.6293 4.7814 4.7814 6.9486 6.9486 7.8003 7.8003 8.1561 8.1561 10.5862 10.5862 11.3381 11.3381 12.7760 12.7760 13.4145 13.4145 14.4882 14.4882 16.4671 16.4671 k = 0.5636-0.8653-0.5223 ( 1860 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2546 -24.2546 -23.8193 -23.8193 -5.3485 -5.3485 -2.6288 -2.6288 4.7819 4.7819 6.9253 6.9253 7.8175 7.8175 8.1657 8.1657 10.5624 10.5624 11.3697 11.3697 12.7641 12.7641 13.4095 13.4095 14.5036 14.5036 16.4662 16.4662 k = 0.5795-0.8588-0.5184 ( 1863 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2545 -24.2545 -23.8192 -23.8192 -5.3488 -5.3488 -2.6280 -2.6280 4.7824 4.7824 6.8972 6.8972 7.8379 7.8379 8.1780 8.1780 10.5352 10.5352 11.4055 11.4055 12.7508 12.7508 13.4035 13.4035 14.5223 14.5223 16.4651 16.4651 k = 0.5953-0.8522-0.5144 ( 1862 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2545 -24.2545 -23.8192 -23.8192 -5.3492 -5.3492 -2.6271 -2.6271 4.7832 4.7832 6.8650 6.8650 7.8609 7.8609 8.1929 8.1929 10.5058 10.5058 11.4431 11.4431 12.7372 12.7372 13.3969 13.3969 14.5435 14.5435 16.4637 16.4637 k = 0.6112-0.8457-0.5105 ( 1866 PWs) bands (ev): -62.3868 -62.3868 -33.8197 -33.8197 -24.2544 -24.2544 -23.8192 -23.8192 -5.3497 -5.3497 -2.6260 -2.6260 4.7840 4.7840 6.8296 6.8296 7.8855 7.8855 8.2105 8.2105 10.4753 10.4753 11.4800 11.4800 12.7252 12.7252 13.3900 13.3900 14.5665 14.5665 16.4621 16.4621 k = 0.6271-0.8392-0.5066 ( 1866 PWs) bands (ev): -62.3868 -62.3868 -33.8196 -33.8196 -24.2543 -24.2543 -23.8191 -23.8191 -5.3502 -5.3502 -2.6247 -2.6247 4.7850 4.7850 6.7920 6.7920 7.9112 7.9112 8.2308 8.2308 10.4444 10.4444 11.5140 11.5140 12.7163 12.7163 13.3831 13.3831 14.5907 14.5907 16.4603 16.4603 k = 0.6430-0.8326-0.5026 ( 1868 PWs) bands (ev): -62.3868 -62.3868 -33.8196 -33.8196 -24.2543 -24.2543 -23.8191 -23.8191 -5.3509 -5.3509 -2.6232 -2.6232 4.7860 4.7860 6.7527 6.7527 7.9372 7.9372 8.2539 8.2539 10.4136 10.4136 11.5427 11.5427 12.7126 12.7126 13.3764 13.3764 14.6152 14.6152 16.4583 16.4583 k = 0.6589-0.8261-0.4987 ( 1868 PWs) bands (ev): -62.3868 -62.3868 -33.8196 -33.8196 -24.2542 -24.2542 -23.8191 -23.8191 -5.3518 -5.3518 -2.6215 -2.6215 4.7872 4.7872 6.7123 6.7123 7.9629 7.9629 8.2800 8.2800 10.3832 10.3832 11.5643 11.5643 12.7156 12.7156 13.3704 13.3704 14.6396 14.6396 16.4560 16.4560 k = 0.6748-0.8196-0.4947 ( 1873 PWs) bands (ev): -62.3868 -62.3868 -33.8195 -33.8195 -24.2541 -24.2541 -23.8190 -23.8190 -5.3527 -5.3527 -2.6196 -2.6196 4.7884 4.7884 6.6715 6.6715 7.9879 7.9879 8.3091 8.3091 10.3533 10.3533 11.5772 11.5772 12.7266 12.7266 13.3653 13.3653 14.6632 14.6632 16.4536 16.4536 k = 0.6907-0.8130-0.4908 ( 1875 PWs) bands (ev): -62.3869 -62.3869 -33.8195 -33.8195 -24.2540 -24.2540 -23.8190 -23.8190 -5.3539 -5.3539 -2.6174 -2.6174 4.7897 4.7897 6.6306 6.6306 8.0115 8.0115 8.3415 8.3415 10.3238 10.3238 11.5806 11.5806 12.7461 12.7461 13.3616 13.3616 14.6855 14.6855 16.4510 16.4510 k = 0.7066-0.8065-0.4868 ( 1874 PWs) bands (ev): -62.3869 -62.3869 -33.8194 -33.8194 -24.2538 -24.2538 -23.8189 -23.8189 -5.3552 -5.3552 -2.6149 -2.6149 4.7911 4.7911 6.5901 6.5901 8.0336 8.0336 8.3772 8.3772 10.2948 10.2948 11.5746 11.5746 12.7737 12.7737 13.3598 13.3598 14.7060 14.7060 16.4482 16.4482 k = 0.7225-0.8000-0.4829 ( 1874 PWs) bands (ev): -62.3869 -62.3869 -33.8194 -33.8194 -24.2537 -24.2537 -23.8188 -23.8188 -5.3567 -5.3567 -2.6122 -2.6122 4.7926 4.7926 6.5503 6.5503 8.0538 8.0538 8.4163 8.4163 10.2660 10.2660 11.5598 11.5598 12.8081 12.8081 13.3605 13.3605 14.7244 14.7244 16.4453 16.4453 k = 0.7384-0.7934-0.4789 ( 1878 PWs) bands (ev): -62.3869 -62.3869 -33.8193 -33.8193 -24.2535 -24.2535 -23.8187 -23.8187 -5.3584 -5.3584 -2.6093 -2.6093 4.7941 4.7941 6.5115 6.5115 8.0720 8.0720 8.4587 8.4587 10.2373 10.2373 11.5375 11.5375 12.8473 12.8473 13.3646 13.3646 14.7401 14.7401 16.4422 16.4422 k = 0.7542-0.7869-0.4750 ( 1876 PWs) bands (ev): -62.3870 -62.3870 -33.8193 -33.8193 -24.2534 -24.2534 -23.8187 -23.8187 -5.3604 -5.3604 -2.6060 -2.6060 4.7956 4.7956 6.4741 6.4741 8.0881 8.0881 8.5044 8.5044 10.2083 10.2083 11.5091 11.5091 12.8887 12.8887 13.3733 13.3733 14.7530 14.7530 16.4389 16.4389 k = 0.7701-0.7804-0.4711 ( 1878 PWs) bands (ev): -62.3870 -62.3870 -33.8192 -33.8192 -24.2532 -24.2532 -23.8186 -23.8186 -5.3626 -5.3626 -2.6024 -2.6024 4.7972 4.7972 6.4382 6.4382 8.1023 8.1023 8.5533 8.5533 10.1787 10.1787 11.4762 11.4762 12.9295 12.9295 13.3877 13.3877 14.7626 14.7626 16.4355 16.4355 k = 0.7860-0.7738-0.4671 ( 1881 PWs) bands (ev): -62.3870 -62.3870 -33.8191 -33.8191 -24.2530 -24.2530 -23.8185 -23.8185 -5.3651 -5.3651 -2.5986 -2.5986 4.7987 4.7987 6.4042 6.4042 8.1145 8.1145 8.6051 8.6051 10.1483 10.1483 11.4404 11.4404 12.9670 12.9670 13.4090 13.4090 14.7686 14.7686 16.4320 16.4320 k = 0.8019-0.7673-0.4632 ( 1880 PWs) bands (ev): -62.3870 -62.3870 -33.8191 -33.8191 -24.2528 -24.2528 -23.8184 -23.8184 -5.3679 -5.3679 -2.5944 -2.5944 4.8003 4.8003 6.3721 6.3721 8.1249 8.1249 8.6597 8.6597 10.1167 10.1167 11.4029 11.4029 12.9991 12.9991 13.4378 13.4378 14.7709 14.7709 16.4283 16.4283 k = 0.8178-0.7608-0.4592 ( 1880 PWs) bands (ev): -62.3871 -62.3871 -33.8190 -33.8190 -24.2526 -24.2526 -23.8183 -23.8183 -5.3709 -5.3709 -2.5899 -2.5899 4.8019 4.8019 6.3423 6.3423 8.1336 8.1336 8.7169 8.7169 10.0837 10.0837 11.3649 11.3649 13.0249 13.0249 13.4738 13.4738 14.7693 14.7693 16.4244 16.4244 Writing output data file WN2.save init_run : 0.19s CPU 0.38s WALL ( 1 calls) electrons : 99.39s CPU 100.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 99.38s CPU 100.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 413 calls) cegterg : 87.18s CPU 88.19s WALL ( 419 calls) Called by sum_band: Called by *egterg: h_psi : 72.32s CPU 73.28s WALL ( 6331 calls) s_psi : 0.86s CPU 0.86s WALL ( 6331 calls) g_psi : 0.06s CPU 0.07s WALL ( 5499 calls) cdiaghg : 20.48s CPU 20.69s WALL ( 5912 calls) cegterg:over : 1.55s CPU 1.62s WALL ( 5499 calls) cegterg:upda : 1.05s CPU 1.07s WALL ( 5499 calls) cegterg:last : 0.75s CPU 0.74s WALL ( 1245 calls) cdiaghg:chol : 1.00s CPU 1.05s WALL ( 5912 calls) cdiaghg:inve : 0.46s CPU 0.49s WALL ( 5912 calls) cdiaghg:para : 1.29s CPU 1.23s WALL ( 11824 calls) Called by h_psi: h_psi:vloc : 70.14s CPU 71.08s WALL ( 6331 calls) h_psi:vnl : 2.15s CPU 2.15s WALL ( 6331 calls) add_vuspsi : 1.07s CPU 1.12s WALL ( 6331 calls) General routines calbec : 1.07s CPU 1.02s WALL ( 6331 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.63s CPU 66.52s WALL ( 505204 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.11s WALL ( 826 calls) Parallel routines fft_scatter : 15.33s CPU 15.52s WALL ( 505227 calls) PWSCF : 1m50.26s CPU 2m16.39s WALL This run was terminated on: 21: 2: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=