Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:29:21 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: ./LiAl2Ir.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 50 50 14 1429 1429 214 Max 51 51 15 1434 1434 217 Sum 1813 1813 511 51493 51493 7727 bravais-lattice index = 14 lattice parameter (alat) = 8.0254 a.u. unit-cell volume = 365.5043 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.025446 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Ir 17.00 192.21700 Ir( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028409 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028409 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028409 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028409 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028409 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028409 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028409 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028409 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028409 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028409 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028409 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028409 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028409 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028409 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028409 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028409 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028409 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028409 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028409 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028409 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028409 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028409 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028409 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028409 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028409 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028409 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028409 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028409 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028409 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028409 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028409 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028409 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028409 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028409 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028409 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028409 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028409 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028409 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028409 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028409 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028409 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028409 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028409 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028409 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028409 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028409 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028409 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028409 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028409 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028409 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028409 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028409 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028409 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028409 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028409 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028409 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028409 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028409 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028409 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028409 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028409 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028409 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028409 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028409 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028409 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028409 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028409 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028409 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028409 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028409 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028409 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028409 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028409 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028409 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028409 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028409 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028409 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028409 k( 82) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028409 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028409 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028409 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028409 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028409 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028409 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028409 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028409 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028409 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028409 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028409 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028409 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028409 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028409 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028409 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028409 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028409 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028409 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028409 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028409 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028409 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028409 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028409 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028409 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028409 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028409 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028409 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028409 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028409 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028409 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028409 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028409 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028409 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028409 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028409 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028409 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028409 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028409 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028409 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028409 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028409 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028409 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028409 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028409 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028409 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028409 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028409 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028409 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028409 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028409 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028409 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028409 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028409 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028409 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028409 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028409 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028409 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028409 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028409 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028409 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028409 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028409 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028409 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028409 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028409 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028409 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028409 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028409 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028409 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028409 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028409 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028409 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028409 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028409 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028409 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028409 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028409 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028409 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028409 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028409 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028409 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028409 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028409 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028409 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028409 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028409 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028409 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028409 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028409 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028409 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028409 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028409 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028409 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028409 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028409 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028409 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028409 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028409 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028409 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028409 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028409 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028409 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028409 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028409 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028409 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028409 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028409 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028409 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028409 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028409 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028409 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028409 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028409 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028409 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028409 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028409 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028409 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 208) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028409 k( 209) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028409 k( 210) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028409 k( 211) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028409 k( 212) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028409 k( 213) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028409 k( 214) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028409 k( 215) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028409 k( 216) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028409 k( 217) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028409 k( 218) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028409 k( 219) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028409 k( 220) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028409 k( 221) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028409 k( 222) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028409 k( 223) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028409 k( 224) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028409 k( 225) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028409 k( 226) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028409 k( 227) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028409 k( 228) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028409 k( 229) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028409 k( 230) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028409 k( 231) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028409 k( 232) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028409 k( 233) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028409 k( 234) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028409 k( 235) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028409 k( 236) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028409 k( 237) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028409 k( 238) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028409 k( 239) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028409 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409 k( 242) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028409 k( 243) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028409 k( 244) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028409 k( 245) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028409 k( 246) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028409 k( 247) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028409 k( 248) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028409 k( 249) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028409 k( 250) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028409 k( 251) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028409 k( 252) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028409 k( 253) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028409 k( 254) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028409 k( 255) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028409 k( 256) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028409 k( 257) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028409 k( 258) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028409 k( 259) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028409 k( 260) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409 k( 261) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409 k( 262) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028409 k( 263) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028409 k( 264) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028409 k( 265) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028409 k( 266) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028409 k( 267) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028409 k( 268) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028409 k( 269) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028409 k( 270) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028409 k( 271) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028409 k( 272) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028409 k( 273) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028409 k( 274) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028409 k( 275) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028409 k( 276) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028409 k( 277) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028409 k( 278) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028409 k( 279) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028409 k( 280) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028409 k( 281) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028409 k( 282) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028409 k( 283) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028409 k( 284) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028409 k( 285) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028409 k( 286) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028409 k( 287) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028409 k( 288) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028409 k( 289) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028409 k( 290) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028409 k( 291) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028409 k( 292) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028409 k( 293) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028409 k( 294) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028409 k( 295) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028409 k( 296) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028409 k( 297) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028409 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 299) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 300) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028409 k( 301) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028409 k( 302) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028409 k( 303) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028409 k( 304) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028409 k( 305) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028409 k( 306) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028409 k( 307) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028409 k( 308) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028409 k( 309) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028409 k( 310) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028409 k( 311) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028409 k( 312) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028409 k( 313) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028409 k( 314) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028409 k( 315) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028409 k( 316) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028409 k( 317) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028409 k( 318) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028409 k( 319) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028409 k( 320) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028409 k( 321) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028409 k( 322) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028409 k( 323) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028409 k( 324) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028409 k( 325) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028409 k( 326) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028409 k( 327) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028409 k( 328) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028409 k( 329) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028409 k( 330) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028409 k( 331) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028409 k( 332) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409 k( 333) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409 k( 334) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028409 k( 335) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028409 k( 336) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028409 k( 337) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028409 k( 338) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028409 k( 339) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028409 k( 340) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028409 k( 341) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028409 k( 342) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028409 k( 343) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028409 k( 344) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028409 k( 345) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028409 k( 346) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028409 k( 347) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028409 k( 348) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028409 k( 349) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028409 k( 350) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028409 k( 351) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028409 k( 352) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0094340 0.0000000 0.0094340), wk = 0.0028409 k( 3) = ( 0.0188679 0.0000000 0.0188679), wk = 0.0028409 k( 4) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0028409 k( 5) = ( 0.0377359 0.0000000 0.0377359), wk = 0.0028409 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028409 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028409 k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028409 k( 9) = ( 0.0754717 0.0000000 0.0754717), wk = 0.0028409 k( 10) = ( 0.0849057 0.0000000 0.0849057), wk = 0.0028409 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028409 k( 12) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0028409 k( 13) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0028409 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028409 k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028409 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028409 k( 17) = ( 0.1509434 0.0000000 0.1509434), wk = 0.0028409 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028409 k( 19) = ( 0.1698113 0.0000000 0.1698113), wk = 0.0028409 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028409 k( 21) = ( 0.1886792 -0.0000000 0.1886793), wk = 0.0028409 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028409 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028409 k( 24) = ( 0.2169811 0.0000000 0.2169811), wk = 0.0028409 k( 25) = ( 0.2264151 -0.0000000 0.2264151), wk = 0.0028409 k( 26) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0028409 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028409 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028409 k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028409 k( 30) = ( 0.2735849 0.0000000 0.2735849), wk = 0.0028409 k( 31) = ( 0.2830189 0.0000000 0.2830189), wk = 0.0028409 k( 32) = ( 0.2924528 0.0000000 0.2924528), wk = 0.0028409 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028409 k( 34) = ( 0.3113207 0.0000000 0.3113207), wk = 0.0028409 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028409 k( 36) = ( 0.3301887 0.0000000 0.3301887), wk = 0.0028409 k( 37) = ( 0.3396226 0.0000000 0.3396226), wk = 0.0028409 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028409 k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028409 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028409 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028409 k( 42) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0028409 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028409 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028409 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028409 k( 46) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0028409 k( 47) = ( 0.4339623 0.0000000 0.4339623), wk = 0.0028409 k( 48) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0028409 k( 49) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028409 k( 50) = ( 0.4622641 -0.0000000 0.4622642), wk = 0.0028409 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028409 k( 52) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028409 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028409 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028409 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028409 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028409 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028409 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028409 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028409 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028409 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028409 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028409 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028409 k( 66) = ( 0.5000000 0.1018518 0.6018519), wk = 0.0028409 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028409 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028409 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028409 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028409 k( 71) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0028409 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028409 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028409 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028409 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028409 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028409 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028409 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028409 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028409 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028409 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028409 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028409 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028409 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028409 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028409 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028409 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028409 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028409 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028409 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028409 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028409 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028409 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028409 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028409 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028409 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028409 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028409 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028409 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028409 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028409 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028409 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028409 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028409 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028409 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028409 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028409 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028409 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028409 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028409 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028409 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028409 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028409 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028409 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028409 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028409 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028409 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028409 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028409 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028409 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028409 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028409 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028409 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028409 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028409 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028409 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028409 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028409 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028409 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028409 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028409 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028409 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028409 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028409 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028409 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028409 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028409 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028409 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028409 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028409 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028409 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028409 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028409 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028409 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028409 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028409 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028409 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028409 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028409 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028409 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028409 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028409 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028409 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028409 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028409 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028409 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028409 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028409 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028409 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028409 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028409 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028409 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028409 k( 170) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0028409 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028409 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028409 k( 173) = ( 0.1413043 0.1413044 0.1413044), wk = 0.0028409 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028409 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028409 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028409 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028409 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028409 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028409 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028409 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028409 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028409 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028409 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028409 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028409 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028409 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028409 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028409 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028409 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028409 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028409 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028409 k( 193) = ( 0.3586956 0.3586957 0.3586956), wk = 0.0028409 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028409 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028409 k( 196) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0028409 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028409 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028409 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028409 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028409 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028409 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028409 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028409 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028409 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028409 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 208) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028409 k( 209) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028409 k( 210) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028409 k( 211) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028409 k( 212) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028409 k( 213) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028409 k( 214) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028409 k( 215) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028409 k( 216) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028409 k( 217) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028409 k( 218) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028409 k( 219) = ( 0.5454545 0.4090909 0.5454546), wk = 0.0028409 k( 220) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028409 k( 221) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028409 k( 222) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028409 k( 223) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028409 k( 224) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028409 k( 225) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028409 k( 226) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028409 k( 227) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028409 k( 228) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028409 k( 229) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028409 k( 230) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028409 k( 231) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028409 k( 232) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028409 k( 233) = ( 0.5984848 0.3030303 0.5984849), wk = 0.0028409 k( 234) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0028409 k( 235) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028409 k( 236) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028409 k( 237) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028409 k( 238) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028409 k( 239) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028409 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409 k( 242) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028409 k( 243) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028409 k( 244) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028409 k( 245) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028409 k( 246) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028409 k( 247) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028409 k( 248) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028409 k( 249) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028409 k( 250) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028409 k( 251) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028409 k( 252) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028409 k( 253) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028409 k( 254) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028409 k( 255) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028409 k( 256) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028409 k( 257) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028409 k( 258) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028409 k( 259) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028409 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 262) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028409 k( 263) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028409 k( 264) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028409 k( 265) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028409 k( 266) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028409 k( 267) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028409 k( 268) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028409 k( 269) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028409 k( 270) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028409 k( 271) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028409 k( 272) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028409 k( 273) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028409 k( 274) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028409 k( 275) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028409 k( 276) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028409 k( 277) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028409 k( 278) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028409 k( 279) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028409 k( 280) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028409 k( 281) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028409 k( 282) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028409 k( 283) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028409 k( 284) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028409 k( 285) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028409 k( 286) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028409 k( 287) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028409 k( 288) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028409 k( 289) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028409 k( 290) = ( 0.5000000 0.4459459 0.5540541), wk = 0.0028409 k( 291) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028409 k( 292) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028409 k( 293) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028409 k( 294) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028409 k( 295) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028409 k( 296) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028409 k( 297) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028409 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 300) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028409 k( 301) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028409 k( 302) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028409 k( 303) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028409 k( 304) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028409 k( 305) = ( 0.4772727 0.4772727 0.5454546), wk = 0.0028409 k( 306) = ( 0.4734849 0.4734849 0.5530303), wk = 0.0028409 k( 307) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028409 k( 308) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028409 k( 309) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028409 k( 310) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028409 k( 311) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028409 k( 312) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028409 k( 313) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028409 k( 314) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028409 k( 315) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028409 k( 316) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028409 k( 317) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028409 k( 318) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028409 k( 319) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028409 k( 320) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028409 k( 321) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028409 k( 322) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028409 k( 323) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028409 k( 324) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028409 k( 325) = ( 0.4015151 0.4015152 0.6969697), wk = 0.0028409 k( 326) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028409 k( 327) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028409 k( 328) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028409 k( 329) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028409 k( 330) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028409 k( 331) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028409 k( 332) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409 k( 333) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409 k( 334) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028409 k( 335) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028409 k( 336) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028409 k( 337) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028409 k( 338) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028409 k( 339) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028409 k( 340) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028409 k( 341) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028409 k( 342) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028409 k( 343) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028409 k( 344) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028409 k( 345) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028409 k( 346) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028409 k( 347) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028409 k( 348) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028409 k( 349) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028409 k( 350) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028409 k( 351) = ( 0.5065789 0.0131579 0.5065790), wk = 0.0028409 k( 352) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 Dense grid: 51493 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 372, 34) NL pseudopotentials 0.33 Mb ( 186, 116) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1430) G-vector shells 0.00 Mb ( 400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 372, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.12 Mb ( 116, 2, 34) The potential is recalculated from file : ./LiAl2Ir.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.1 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.2 secs Computing kpt #: 26 total cpu time spent up to now is 12.6 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.4 secs Computing kpt #: 29 total cpu time spent up to now is 13.8 secs Computing kpt #: 30 total cpu time spent up to now is 14.2 secs Computing kpt #: 31 total cpu time spent up to now is 14.6 secs Computing kpt #: 32 total cpu time spent up to now is 15.0 secs Computing kpt #: 33 total cpu time spent up to now is 15.4 secs Computing kpt #: 34 total cpu time spent up to now is 15.7 secs Computing kpt #: 35 total cpu time spent up to now is 16.1 secs Computing kpt #: 36 total cpu time spent up to now is 16.5 secs Computing kpt #: 37 total cpu time spent up to now is 16.9 secs Computing kpt #: 38 total cpu time spent up to now is 17.3 secs Computing kpt #: 39 total cpu time spent up to now is 17.7 secs Computing kpt #: 40 total cpu time spent up to now is 18.1 secs Computing kpt #: 41 total cpu time spent up to now is 18.5 secs Computing kpt #: 42 total cpu time spent up to now is 18.9 secs Computing kpt #: 43 total cpu time spent up to now is 19.3 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.2 secs Computing kpt #: 46 total cpu time spent up to now is 20.7 secs Computing kpt #: 47 total cpu time spent up to now is 21.0 secs Computing kpt #: 48 total cpu time spent up to now is 21.4 secs Computing kpt #: 49 total cpu time spent up to now is 21.8 secs Computing kpt #: 50 total cpu time spent up to now is 22.1 secs Computing kpt #: 51 total cpu time spent up to now is 22.5 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.1 secs Computing kpt #: 54 total cpu time spent up to now is 23.4 secs Computing kpt #: 55 total cpu time spent up to now is 23.7 secs Computing kpt #: 56 total cpu time spent up to now is 24.0 secs Computing kpt #: 57 total cpu time spent up to now is 24.3 secs Computing kpt #: 58 total cpu time spent up to now is 24.7 secs Computing kpt #: 59 total cpu time spent up to now is 25.0 secs Computing kpt #: 60 total cpu time spent up to now is 25.3 secs Computing kpt #: 61 total cpu time spent up to now is 25.6 secs Computing kpt #: 62 total cpu time spent up to now is 25.9 secs Computing kpt #: 63 total cpu time spent up to now is 26.2 secs Computing kpt #: 64 total cpu time spent up to now is 26.5 secs Computing kpt #: 65 total cpu time spent up to now is 26.8 secs Computing kpt #: 66 total cpu time spent up to now is 27.1 secs Computing kpt #: 67 total cpu time spent up to now is 27.4 secs Computing kpt #: 68 total cpu time spent up to now is 27.7 secs Computing kpt #: 69 total cpu time spent up to now is 27.9 secs Computing kpt #: 70 total cpu time spent up to now is 28.2 secs Computing kpt #: 71 total cpu time spent up to now is 28.5 secs Computing kpt #: 72 total cpu time spent up to now is 28.8 secs Computing kpt #: 73 total cpu time spent up to now is 29.1 secs Computing kpt #: 74 total cpu time spent up to now is 29.4 secs Computing kpt #: 75 total cpu time spent up to now is 29.7 secs Computing kpt #: 76 total cpu time spent up to now is 29.9 secs Computing kpt #: 77 total cpu time spent up to now is 30.2 secs Computing kpt #: 78 total cpu time spent up to now is 30.5 secs Computing kpt #: 79 total cpu time spent up to now is 30.8 secs Computing kpt #: 80 total cpu time spent up to now is 31.1 secs Computing kpt #: 81 total cpu time spent up to now is 31.4 secs Computing kpt #: 82 total cpu time spent up to now is 31.7 secs Computing kpt #: 83 total cpu time spent up to now is 31.9 secs Computing kpt #: 84 total cpu time spent up to now is 32.2 secs Computing kpt #: 85 total cpu time spent up to now is 32.5 secs Computing kpt #: 86 total cpu time spent up to now is 32.8 secs Computing kpt #: 87 total cpu time spent up to now is 33.1 secs Computing kpt #: 88 total cpu time spent up to now is 33.4 secs Computing kpt #: 89 total cpu time spent up to now is 33.7 secs Computing kpt #: 90 total cpu time spent up to now is 33.9 secs Computing kpt #: 91 total cpu time spent up to now is 34.2 secs Computing kpt #: 92 total cpu time spent up to now is 34.5 secs Computing kpt #: 93 total cpu time spent up to now is 34.8 secs Computing kpt #: 94 total cpu time spent up to now is 35.1 secs Computing kpt #: 95 total cpu time spent up to now is 35.6 secs Computing kpt #: 96 total cpu time spent up to now is 35.9 secs Computing kpt #: 97 total cpu time spent up to now is 36.2 secs Computing kpt #: 98 total cpu time spent up to now is 36.5 secs Computing kpt #: 99 total cpu time spent up to now is 36.8 secs Computing kpt #: 100 total cpu time spent up to now is 37.1 secs Computing kpt #: 101 total cpu time spent up to now is 37.4 secs Computing kpt #: 102 total cpu time spent up to now is 37.8 secs Computing kpt #: 103 total cpu time spent up to now is 38.1 secs Computing kpt #: 104 total cpu time spent up to now is 38.4 secs Computing kpt #: 105 total cpu time spent up to now is 38.7 secs Computing kpt #: 106 total cpu time spent up to now is 39.1 secs Computing kpt #: 107 total cpu time spent up to now is 39.4 secs Computing kpt #: 108 total cpu time spent up to now is 39.8 secs Computing kpt #: 109 total cpu time spent up to now is 40.1 secs Computing kpt #: 110 total cpu time spent up to now is 40.4 secs Computing kpt #: 111 total cpu time spent up to now is 40.8 secs Computing kpt #: 112 total cpu time spent up to now is 41.2 secs Computing kpt #: 113 total cpu time spent up to now is 41.5 secs Computing kpt #: 114 total cpu time spent up to now is 41.8 secs Computing kpt #: 115 total cpu time spent up to now is 42.2 secs Computing kpt #: 116 total cpu time spent up to now is 42.5 secs Computing kpt #: 117 total cpu time spent up to now is 42.9 secs Computing kpt #: 118 total cpu time spent up to now is 43.2 secs Computing kpt #: 119 total cpu time spent up to now is 43.5 secs Computing kpt #: 120 total cpu time spent up to now is 43.8 secs Computing kpt #: 121 total cpu time spent up to now is 44.2 secs Computing kpt #: 122 total cpu time spent up to now is 44.5 secs Computing kpt #: 123 total cpu time spent up to now is 44.9 secs Computing kpt #: 124 total cpu time spent up to now is 45.2 secs Computing kpt #: 125 total cpu time spent up to now is 45.6 secs Computing kpt #: 126 total cpu time spent up to now is 45.9 secs Computing kpt #: 127 total cpu time spent up to now is 46.2 secs Computing kpt #: 128 total cpu time spent up to now is 46.6 secs Computing kpt #: 129 total cpu time spent up to now is 46.9 secs Computing kpt #: 130 total cpu time spent up to now is 47.2 secs Computing kpt #: 131 total cpu time spent up to now is 47.5 secs Computing kpt #: 132 total cpu time spent up to now is 47.9 secs Computing kpt #: 133 total cpu time spent up to now is 48.2 secs Computing kpt #: 134 total cpu time spent up to now is 48.5 secs Computing kpt #: 135 total cpu time spent up to now is 48.8 secs Computing kpt #: 136 total cpu time spent up to now is 49.2 secs Computing kpt #: 137 total cpu time spent up to now is 49.5 secs Computing kpt #: 138 total cpu time spent up to now is 49.8 secs Computing kpt #: 139 total cpu time spent up to now is 50.2 secs Computing kpt #: 140 total cpu time spent up to now is 50.5 secs Computing kpt #: 141 total cpu time spent up to now is 50.9 secs Computing kpt #: 142 total cpu time spent up to now is 51.2 secs Computing kpt #: 143 total cpu time spent up to now is 51.6 secs Computing kpt #: 144 total cpu time spent up to now is 52.0 secs Computing kpt #: 145 total cpu time spent up to now is 52.3 secs Computing kpt #: 146 total cpu time spent up to now is 52.7 secs Computing kpt #: 147 total cpu time spent up to now is 53.1 secs Computing kpt #: 148 total cpu time spent up to now is 53.4 secs Computing kpt #: 149 total cpu time spent up to now is 53.8 secs Computing kpt #: 150 total cpu time spent up to now is 54.2 secs Computing kpt #: 151 total cpu time spent up to now is 54.5 secs Computing kpt #: 152 total cpu time spent up to now is 54.9 secs Computing kpt #: 153 total cpu time spent up to now is 55.3 secs Computing kpt #: 154 total cpu time spent up to now is 55.7 secs Computing kpt #: 155 total cpu time spent up to now is 56.1 secs Computing kpt #: 156 total cpu time spent up to now is 56.4 secs Computing kpt #: 157 total cpu time spent up to now is 56.8 secs Computing kpt #: 158 total cpu time spent up to now is 57.2 secs Computing kpt #: 159 total cpu time spent up to now is 57.6 secs Computing kpt #: 160 total cpu time spent up to now is 57.9 secs Computing kpt #: 161 total cpu time spent up to now is 58.2 secs Computing kpt #: 162 total cpu time spent up to now is 58.6 secs Computing kpt #: 163 total cpu time spent up to now is 59.0 secs Computing kpt #: 164 total cpu time spent up to now is 59.4 secs Computing kpt #: 165 total cpu time spent up to now is 59.8 secs Computing kpt #: 166 total cpu time spent up to now is 60.2 secs Computing kpt #: 167 total cpu time spent up to now is 60.6 secs Computing kpt #: 168 total cpu time spent up to now is 61.0 secs Computing kpt #: 169 total cpu time spent up to now is 61.4 secs Computing kpt #: 170 total cpu time spent up to now is 61.8 secs Computing kpt #: 171 total cpu time spent up to now is 62.2 secs Computing kpt #: 172 total cpu time spent up to now is 62.6 secs Computing kpt #: 173 total cpu time spent up to now is 63.0 secs Computing kpt #: 174 total cpu time spent up to now is 63.4 secs Computing kpt #: 175 total cpu time spent up to now is 63.8 secs Computing kpt #: 176 total cpu time spent up to now is 64.2 secs Computing kpt #: 177 total cpu time spent up to now is 64.5 secs Computing kpt #: 178 total cpu time spent up to now is 64.9 secs Computing kpt #: 179 total cpu time spent up to now is 65.3 secs Computing kpt #: 180 total cpu time spent up to now is 65.6 secs Computing kpt #: 181 total cpu time spent up to now is 66.0 secs Computing kpt #: 182 total cpu time spent up to now is 66.3 secs Computing kpt #: 183 total cpu time spent up to now is 66.7 secs Computing kpt #: 184 total cpu time spent up to now is 67.0 secs Computing kpt #: 185 total cpu time spent up to now is 67.3 secs Computing kpt #: 186 total cpu time spent up to now is 67.7 secs Computing kpt #: 187 total cpu time spent up to now is 68.0 secs Computing kpt #: 188 total cpu time spent up to now is 68.3 secs Computing kpt #: 189 total cpu time spent up to now is 68.6 secs Computing kpt #: 190 total cpu time spent up to now is 69.0 secs Computing kpt #: 191 total cpu time spent up to now is 69.3 secs Computing kpt #: 192 total cpu time spent up to now is 69.6 secs Computing kpt #: 193 total cpu time spent up to now is 70.0 secs Computing kpt #: 194 total cpu time spent up to now is 70.3 secs Computing kpt #: 195 total cpu time spent up to now is 70.6 secs Computing kpt #: 196 total cpu time spent up to now is 71.0 secs Computing kpt #: 197 total cpu time spent up to now is 71.3 secs Computing kpt #: 198 total cpu time spent up to now is 71.6 secs Computing kpt #: 199 total cpu time spent up to now is 71.9 secs Computing kpt #: 200 total cpu time spent up to now is 72.3 secs Computing kpt #: 201 total cpu time spent up to now is 72.6 secs Computing kpt #: 202 total cpu time spent up to now is 72.9 secs Computing kpt #: 203 total cpu time spent up to now is 73.3 secs Computing kpt #: 204 total cpu time spent up to now is 73.6 secs Computing kpt #: 205 total cpu time spent up to now is 73.9 secs Computing kpt #: 206 total cpu time spent up to now is 74.2 secs Computing kpt #: 207 total cpu time spent up to now is 74.6 secs Computing kpt #: 208 total cpu time spent up to now is 74.9 secs Computing kpt #: 209 total cpu time spent up to now is 75.2 secs Computing kpt #: 210 total cpu time spent up to now is 75.6 secs Computing kpt #: 211 total cpu time spent up to now is 75.9 secs Computing kpt #: 212 total cpu time spent up to now is 76.2 secs Computing kpt #: 213 total cpu time spent up to now is 76.6 secs Computing kpt #: 214 total cpu time spent up to now is 76.9 secs Computing kpt #: 215 total cpu time spent up to now is 77.3 secs Computing kpt #: 216 total cpu time spent up to now is 77.6 secs Computing kpt #: 217 total cpu time spent up to now is 78.0 secs Computing kpt #: 218 total cpu time spent up to now is 78.3 secs Computing kpt #: 219 total cpu time spent up to now is 78.6 secs Computing kpt #: 220 total cpu time spent up to now is 79.0 secs Computing kpt #: 221 total cpu time spent up to now is 79.3 secs Computing kpt #: 222 total cpu time spent up to now is 79.6 secs Computing kpt #: 223 total cpu time spent up to now is 79.9 secs Computing kpt #: 224 total cpu time spent up to now is 80.2 secs Computing kpt #: 225 total cpu time spent up to now is 80.6 secs Computing kpt #: 226 total cpu time spent up to now is 80.9 secs Computing kpt #: 227 total cpu time spent up to now is 81.3 secs Computing kpt #: 228 total cpu time spent up to now is 81.6 secs Computing kpt #: 229 total cpu time spent up to now is 82.0 secs Computing kpt #: 230 total cpu time spent up to now is 82.3 secs Computing kpt #: 231 total cpu time spent up to now is 82.6 secs Computing kpt #: 232 total cpu time spent up to now is 83.0 secs Computing kpt #: 233 total cpu time spent up to now is 83.3 secs Computing kpt #: 234 total cpu time spent up to now is 83.7 secs Computing kpt #: 235 total cpu time spent up to now is 84.0 secs Computing kpt #: 236 total cpu time spent up to now is 84.3 secs Computing kpt #: 237 total cpu time spent up to now is 84.7 secs Computing kpt #: 238 total cpu time spent up to now is 85.0 secs Computing kpt #: 239 total cpu time spent up to now is 85.4 secs Computing kpt #: 240 total cpu time spent up to now is 85.7 secs Computing kpt #: 241 total cpu time spent up to now is 86.0 secs Computing kpt #: 242 total cpu time spent up to now is 86.3 secs Computing kpt #: 243 total cpu time spent up to now is 86.6 secs Computing kpt #: 244 total cpu time spent up to now is 87.0 secs Computing kpt #: 245 total cpu time spent up to now is 87.3 secs Computing kpt #: 246 total cpu time spent up to now is 87.6 secs Computing kpt #: 247 total cpu time spent up to now is 87.9 secs Computing kpt #: 248 total cpu time spent up to now is 88.2 secs Computing kpt #: 249 total cpu time spent up to now is 88.5 secs Computing kpt #: 250 total cpu time spent up to now is 88.8 secs Computing kpt #: 251 total cpu time spent up to now is 89.1 secs Computing kpt #: 252 total cpu time spent up to now is 89.4 secs Computing kpt #: 253 total cpu time spent up to now is 89.7 secs Computing kpt #: 254 total cpu time spent up to now is 90.0 secs Computing kpt #: 255 total cpu time spent up to now is 90.2 secs Computing kpt #: 256 total cpu time spent up to now is 90.5 secs Computing kpt #: 257 total cpu time spent up to now is 90.8 secs Computing kpt #: 258 total cpu time spent up to now is 91.1 secs Computing kpt #: 259 total cpu time spent up to now is 91.4 secs Computing kpt #: 260 total cpu time spent up to now is 91.7 secs Computing kpt #: 261 total cpu time spent up to now is 91.9 secs Computing kpt #: 262 total cpu time spent up to now is 92.2 secs Computing kpt #: 263 total cpu time spent up to now is 92.5 secs Computing kpt #: 264 total cpu time spent up to now is 92.8 secs Computing kpt #: 265 total cpu time spent up to now is 93.1 secs Computing kpt #: 266 total cpu time spent up to now is 93.4 secs Computing kpt #: 267 total cpu time spent up to now is 93.7 secs Computing kpt #: 268 total cpu time spent up to now is 94.0 secs Computing kpt #: 269 total cpu time spent up to now is 94.3 secs Computing kpt #: 270 total cpu time spent up to now is 94.6 secs Computing kpt #: 271 total cpu time spent up to now is 94.9 secs Computing kpt #: 272 total cpu time spent up to now is 95.2 secs Computing kpt #: 273 total cpu time spent up to now is 95.5 secs Computing kpt #: 274 total cpu time spent up to now is 95.8 secs Computing kpt #: 275 total cpu time spent up to now is 96.1 secs Computing kpt #: 276 total cpu time spent up to now is 96.5 secs Computing kpt #: 277 total cpu time spent up to now is 96.8 secs Computing kpt #: 278 total cpu time spent up to now is 97.2 secs Computing kpt #: 279 total cpu time spent up to now is 97.5 secs Computing kpt #: 280 total cpu time spent up to now is 97.9 secs Computing kpt #: 281 total cpu time spent up to now is 98.2 secs Computing kpt #: 282 total cpu time spent up to now is 98.5 secs Computing kpt #: 283 total cpu time spent up to now is 98.8 secs Computing kpt #: 284 total cpu time spent up to now is 99.2 secs Computing kpt #: 285 total cpu time spent up to now is 99.5 secs Computing kpt #: 286 total cpu time spent up to now is 99.8 secs Computing kpt #: 287 total cpu time spent up to now is 100.2 secs Computing kpt #: 288 total cpu time spent up to now is 100.5 secs Computing kpt #: 289 total cpu time spent up to now is 100.9 secs Computing kpt #: 290 total cpu time spent up to now is 101.2 secs Computing kpt #: 291 total cpu time spent up to now is 101.5 secs Computing kpt #: 292 total cpu time spent up to now is 101.9 secs Computing kpt #: 293 total cpu time spent up to now is 102.2 secs Computing kpt #: 294 total cpu time spent up to now is 102.6 secs Computing kpt #: 295 total cpu time spent up to now is 102.9 secs Computing kpt #: 296 total cpu time spent up to now is 103.2 secs Computing kpt #: 297 total cpu time spent up to now is 103.6 secs Computing kpt #: 298 total cpu time spent up to now is 103.9 secs Computing kpt #: 299 total cpu time spent up to now is 104.2 secs Computing kpt #: 300 total cpu time spent up to now is 104.5 secs Computing kpt #: 301 total cpu time spent up to now is 104.9 secs Computing kpt #: 302 total cpu time spent up to now is 105.2 secs Computing kpt #: 303 total cpu time spent up to now is 105.6 secs Computing kpt #: 304 total cpu time spent up to now is 105.9 secs Computing kpt #: 305 total cpu time spent up to now is 106.2 secs Computing kpt #: 306 total cpu time spent up to now is 106.6 secs Computing kpt #: 307 total cpu time spent up to now is 106.9 secs Computing kpt #: 308 total cpu time spent up to now is 107.3 secs Computing kpt #: 309 total cpu time spent up to now is 107.6 secs Computing kpt #: 310 total cpu time spent up to now is 108.0 secs Computing kpt #: 311 total cpu time spent up to now is 108.3 secs Computing kpt #: 312 total cpu time spent up to now is 108.6 secs Computing kpt #: 313 total cpu time spent up to now is 109.0 secs Computing kpt #: 314 total cpu time spent up to now is 109.3 secs Computing kpt #: 315 total cpu time spent up to now is 109.6 secs Computing kpt #: 316 total cpu time spent up to now is 109.9 secs Computing kpt #: 317 total cpu time spent up to now is 110.3 secs Computing kpt #: 318 total cpu time spent up to now is 110.6 secs Computing kpt #: 319 total cpu time spent up to now is 110.9 secs Computing kpt #: 320 total cpu time spent up to now is 111.3 secs Computing kpt #: 321 total cpu time spent up to now is 111.6 secs Computing kpt #: 322 total cpu time spent up to now is 111.9 secs Computing kpt #: 323 total cpu time spent up to now is 112.3 secs Computing kpt #: 324 total cpu time spent up to now is 112.6 secs Computing kpt #: 325 total cpu time spent up to now is 113.0 secs Computing kpt #: 326 total cpu time spent up to now is 113.3 secs Computing kpt #: 327 total cpu time spent up to now is 113.7 secs Computing kpt #: 328 total cpu time spent up to now is 114.1 secs Computing kpt #: 329 total cpu time spent up to now is 114.4 secs Computing kpt #: 330 total cpu time spent up to now is 114.7 secs Computing kpt #: 331 total cpu time spent up to now is 115.1 secs Computing kpt #: 332 total cpu time spent up to now is 115.4 secs Computing kpt #: 333 total cpu time spent up to now is 115.7 secs Computing kpt #: 334 total cpu time spent up to now is 116.0 secs Computing kpt #: 335 total cpu time spent up to now is 116.3 secs Computing kpt #: 336 total cpu time spent up to now is 116.7 secs Computing kpt #: 337 total cpu time spent up to now is 117.0 secs Computing kpt #: 338 total cpu time spent up to now is 117.3 secs Computing kpt #: 339 total cpu time spent up to now is 117.6 secs Computing kpt #: 340 total cpu time spent up to now is 117.9 secs Computing kpt #: 341 total cpu time spent up to now is 118.2 secs Computing kpt #: 342 total cpu time spent up to now is 118.6 secs Computing kpt #: 343 total cpu time spent up to now is 118.9 secs Computing kpt #: 344 total cpu time spent up to now is 119.2 secs Computing kpt #: 345 total cpu time spent up to now is 119.5 secs Computing kpt #: 346 total cpu time spent up to now is 119.9 secs Computing kpt #: 347 total cpu time spent up to now is 120.2 secs Computing kpt #: 348 total cpu time spent up to now is 120.5 secs Computing kpt #: 349 total cpu time spent up to now is 120.8 secs Computing kpt #: 350 total cpu time spent up to now is 121.1 secs Computing kpt #: 351 total cpu time spent up to now is 121.4 secs Computing kpt #: 352 total cpu time spent up to now is 121.7 secs ethr = 3.85E-08, avg # of iterations = 16.5 total cpu time spent up to now is 121.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8655 1.8655 7.5970 7.5970 7.5970 7.5970 8.0783 8.0783 9.4492 9.4492 9.4492 9.4492 13.7366 13.7366 14.3211 14.3211 14.3211 14.3211 14.3524 14.3524 16.6453 16.6453 17.2981 17.2981 k = 0.0094-0.0054 0.0077 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8670 1.8670 7.5962 7.5962 7.5973 7.5973 8.0780 8.0780 9.4472 9.4472 9.4496 9.4496 13.7342 13.7342 14.3180 14.3180 14.3206 14.3206 14.3545 14.3545 16.6347 16.6347 17.2824 17.2824 k = 0.0189-0.0109 0.0154 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8715 1.8715 7.5939 7.5939 7.5984 7.5984 8.0771 8.0771 9.4410 9.4410 9.4508 9.4508 13.7269 13.7269 14.3087 14.3087 14.3190 14.3190 14.3608 14.3608 16.6054 16.6054 17.2383 17.2383 k = 0.0283-0.0163 0.0231 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8790 1.8790 7.5900 7.5900 7.6001 7.6001 8.0758 8.0758 9.4307 9.4307 9.4528 9.4528 13.7140 13.7140 14.2931 14.2931 14.3169 14.3169 14.3713 14.3713 16.5631 16.5631 17.1766 17.1766 k = 0.0377-0.0218 0.0308 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8894 1.8894 7.5845 7.5845 7.6025 7.6025 8.0741 8.0741 9.4166 9.4166 9.4556 9.4556 13.6948 13.6948 14.2709 14.2709 14.3147 14.3147 14.3858 14.3858 16.5127 16.5127 17.1093 17.1093 k = 0.0472-0.0272 0.0385 ( 6411 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9264 -32.9264 -32.9263 -32.9263 1.9029 1.9029 7.5772 7.5772 7.6056 7.6056 8.0722 8.0722 9.3986 9.3986 9.4592 9.4592 13.6684 13.6684 14.2420 14.2420 14.3131 14.3131 14.4043 14.4043 16.4566 16.4566 17.0438 17.0438 k = 0.0566-0.0327 0.0462 ( 6427 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9264 -32.9264 -32.9264 -32.9264 1.9193 1.9193 7.5681 7.5681 7.6094 7.6094 8.0704 8.0704 9.3770 9.3770 9.4637 9.4637 13.6340 13.6340 14.2063 14.2063 14.3124 14.3124 14.4264 14.4264 16.3943 16.3943 16.9839 16.9839 k = 0.0660-0.0381 0.0539 ( 6427 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9264 -32.9264 -32.9264 -32.9264 1.9388 1.9388 7.5569 7.5569 7.6139 7.6139 8.0688 8.0688 9.3519 9.3519 9.4689 9.4689 13.5910 13.5910 14.1636 14.1636 14.3125 14.3125 14.4521 14.4521 16.3227 16.3227 16.8940 16.8940 k = 0.0755-0.0436 0.0616 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9265 -32.9265 -32.9264 -32.9264 1.9612 1.9612 7.5438 7.5438 7.6192 7.6192 8.0678 8.0678 9.3237 9.3237 9.4750 9.4750 13.5392 13.5392 14.1139 14.1139 14.3130 14.3130 14.4810 14.4810 16.2376 16.2376 16.8076 16.8076 k = 0.0849-0.0490 0.0693 ( 6427 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9265 -32.9265 -32.9264 -32.9264 1.9866 1.9866 7.5284 7.5284 7.6251 7.6251 8.0674 8.0674 9.2925 9.2925 9.4819 9.4819 13.4787 13.4787 14.0573 14.0573 14.3124 14.3124 14.5128 14.5128 16.1364 16.1364 16.7411 16.7411 k = 0.0943-0.0545 0.0770 ( 6427 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9266 -32.9266 -32.9265 -32.9265 2.0149 2.0149 7.5109 7.5109 7.6318 7.6318 8.0681 8.0681 9.2586 9.2586 9.4897 9.4897 13.4098 13.4098 13.9939 13.9939 14.3088 14.3088 14.5473 14.5473 16.0211 16.0211 16.6970 16.6970 k = 0.1038-0.0599 0.0847 ( 6415 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9267 -32.9267 -32.9265 -32.9265 2.0463 2.0463 7.4912 7.4912 7.6391 7.6391 8.0699 8.0699 9.2222 9.2222 9.4982 9.4982 13.3333 13.3333 13.9239 13.9239 14.2993 14.2993 14.5841 14.5841 15.8980 15.8980 16.6734 16.6734 k = 0.1132-0.0654 0.0924 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9267 -32.9267 -32.9266 -32.9266 2.0805 2.0805 7.4692 7.4692 7.6472 7.6472 8.0731 8.0731 9.1837 9.1837 9.5076 9.5076 13.2498 13.2498 13.8478 13.8478 14.2802 14.2802 14.6228 14.6228 15.7750 15.7750 16.6668 16.6668 k = 0.1226-0.0708 0.1001 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9268 -32.9268 -32.9266 -32.9266 2.1178 2.1178 7.4452 7.4452 7.6560 7.6560 8.0777 8.0777 9.1432 9.1432 9.5178 9.5178 13.1600 13.1600 13.7660 13.7660 14.2471 14.2471 14.6632 14.6632 15.6602 15.6602 16.6743 16.6743 k = 0.1321-0.0763 0.1078 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9269 -32.9269 -32.9267 -32.9267 2.1580 2.1580 7.4191 7.4191 7.6654 7.6654 8.0839 8.0839 9.1011 9.1011 9.5288 9.5288 13.0647 13.0647 13.6791 13.6791 14.1955 14.1955 14.7050 14.7050 15.5607 15.5607 16.6935 16.6935 k = 0.1415-0.0817 0.1155 ( 6415 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8982 -33.8982 -32.9270 -32.9270 -32.9267 -32.9267 2.2011 2.2011 7.3912 7.3912 7.6756 7.6756 8.0917 8.0917 9.0576 9.0576 9.5406 9.5406 12.9646 12.9646 13.5875 13.5875 14.1218 14.1218 14.7476 14.7476 15.4815 15.4815 16.7227 16.7227 k = 0.1509-0.0871 0.1232 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8982 -33.8982 -32.9271 -32.9271 -32.9268 -32.9268 2.2472 2.2472 7.3615 7.3615 7.6864 7.6864 8.1012 8.1012 9.0129 9.0129 9.5531 9.5531 12.8601 12.8601 13.4919 13.4919 14.0251 14.0251 14.7910 14.7910 15.4251 15.4251 16.7607 16.7607 k = 0.1604-0.0926 0.1309 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8982 -33.8982 -32.9272 -32.9272 -32.9268 -32.9268 2.2962 2.2962 7.3303 7.3303 7.6977 7.6977 8.1124 8.1124 8.9672 8.9672 9.5663 9.5663 12.7518 12.7518 13.3927 13.3927 13.9067 13.9067 14.8346 14.8346 15.3907 15.3907 16.8066 16.8066 k = 0.1698-0.0980 0.1387 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9273 -32.9273 -32.9269 -32.9269 2.3481 2.3481 7.2978 7.2978 7.7096 7.7096 8.1253 8.1253 8.9209 8.9209 9.5802 9.5802 12.6401 12.6401 13.2906 13.2906 13.7702 13.7702 14.8783 14.8783 15.3755 15.3755 16.8596 16.8596 k = 0.1792-0.1035 0.1464 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9274 -32.9274 -32.9269 -32.9269 2.4029 2.4029 7.2642 7.2642 7.7219 7.7219 8.1399 8.1399 8.8741 8.8741 9.5948 9.5948 12.5254 12.5254 13.1859 13.1859 13.6200 13.6200 14.9218 14.9218 15.3757 15.3757 16.9193 16.9193 k = 0.1887-0.1089 0.1541 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8982 -33.8982 -32.9275 -32.9275 -32.9270 -32.9270 2.4607 2.4607 7.2296 7.2296 7.7346 7.7346 8.1562 8.1562 8.8272 8.8272 9.6099 9.6099 12.4079 12.4079 13.0791 13.0791 13.4601 13.4601 14.9647 14.9647 15.3877 15.3877 16.9852 16.9852 k = 0.1981-0.1144 0.1618 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8982 -33.8982 -32.9276 -32.9276 -32.9271 -32.9271 2.5213 2.5213 7.1943 7.1943 7.7474 7.7474 8.1743 8.1743 8.7803 8.7803 9.6256 9.6256 12.2878 12.2878 12.9707 12.9707 13.2940 13.2940 15.0070 15.0070 15.4082 15.4082 17.0568 17.0568 k = 0.2075-0.1198 0.1695 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8982 -33.8982 -32.9277 -32.9277 -32.9271 -32.9271 2.5847 2.5847 7.1584 7.1584 7.7601 7.7601 8.1940 8.1940 8.7339 8.7339 9.6418 9.6418 12.1653 12.1653 12.8611 12.8611 13.1245 13.1245 15.0484 15.0484 15.4349 15.4349 17.1338 17.1338 k = 0.2170-0.1253 0.1772 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8982 -33.8982 -32.9278 -32.9278 -32.9272 -32.9272 2.6510 2.6510 7.1221 7.1221 7.7725 7.7725 8.2155 8.2155 8.6881 8.6881 9.6584 9.6584 12.0404 12.0404 12.7504 12.7504 12.9538 12.9538 15.0888 15.0888 15.4660 15.4660 17.2159 17.2159 k = 0.2264-0.1307 0.1849 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8982 -33.8982 -32.9280 -32.9280 -32.9273 -32.9273 2.7202 2.7202 7.0857 7.0857 7.7842 7.7842 8.2386 8.2386 8.6435 8.6435 9.6754 9.6754 11.9132 11.9132 12.6392 12.6392 12.7838 12.7838 15.1279 15.1279 15.5001 15.5001 17.3028 17.3028 k = 0.2358-0.1362 0.1926 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8982 -33.8982 -32.9281 -32.9281 -32.9273 -32.9273 2.7921 2.7921 7.0492 7.0492 7.7946 7.7946 8.2635 8.2635 8.6006 8.6006 9.6927 9.6927 11.7836 11.7836 12.5276 12.5276 12.6158 12.6158 15.1658 15.1658 15.5362 15.5362 17.3943 17.3943 k = 0.2453-0.1416 0.2003 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8982 -33.8982 -32.9282 -32.9282 -32.9274 -32.9274 2.8669 2.8669 7.0129 7.0129 7.8031 7.8031 8.2900 8.2900 8.5599 8.5599 9.7103 9.7103 11.6518 11.6518 12.4158 12.4158 12.4510 12.4510 15.2023 15.2023 15.5734 15.5734 17.4902 17.4902 k = 0.2547-0.1471 0.2080 ( 6430 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8982 -33.8982 -32.9284 -32.9284 -32.9275 -32.9275 2.9444 2.9444 6.9768 6.9768 7.8088 7.8088 8.3183 8.3183 8.5224 8.5224 9.7280 9.7280 11.5179 11.5179 12.2903 12.2903 12.3042 12.3042 15.2374 15.2374 15.6111 15.6111 17.5903 17.5903 k = 0.2642-0.1525 0.2157 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8981 -33.8981 -32.9285 -32.9285 -32.9275 -32.9275 3.0247 3.0247 6.9412 6.9412 7.8107 7.8107 8.3482 8.3482 8.4889 8.4889 9.7459 9.7459 11.3822 11.3822 12.1343 12.1343 12.1929 12.1929 15.2710 15.2710 15.6488 15.6488 17.6944 17.6944 k = 0.2736-0.1580 0.2234 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8981 -33.8981 -32.9287 -32.9287 -32.9276 -32.9276 3.1076 3.1076 6.9061 6.9061 7.8074 7.8074 8.3799 8.3799 8.4605 8.4605 9.7637 9.7637 11.2450 11.2450 11.9835 11.9835 12.0820 12.0820 15.3031 15.3031 15.6862 15.6862 17.8023 17.8023 k = 0.2830-0.1634 0.2311 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8981 -33.8981 -32.9288 -32.9288 -32.9277 -32.9277 3.1933 3.1933 6.8716 6.8716 7.7978 7.7978 8.4133 8.4133 8.4384 8.4384 9.7816 9.7816 11.1068 11.1068 11.8382 11.8382 11.9719 11.9719 15.3337 15.3337 15.7229 15.7229 17.9138 17.9138 k = 0.2925-0.1688 0.2388 ( 6430 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8981 -33.8981 -32.9290 -32.9290 -32.9277 -32.9277 3.2816 3.2816 6.8379 6.8379 7.7806 7.7806 8.4235 8.4235 8.4484 8.4484 9.7993 9.7993 10.9685 10.9685 11.6983 11.6983 11.8625 11.8625 15.3628 15.3628 15.7587 15.7587 18.0289 18.0289 k = 0.3019-0.1743 0.2465 ( 6430 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8980 -33.8980 -32.9291 -32.9291 -32.9278 -32.9278 3.3726 3.3726 6.8051 6.8051 7.7552 7.7552 8.4162 8.4162 8.4853 8.4853 9.8167 9.8167 10.8307 10.8307 11.5636 11.5636 11.7541 11.7541 15.3905 15.3905 15.7935 15.7935 18.1473 18.1473 k = 0.3113-0.1797 0.2542 ( 6422 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8980 -33.8980 -32.9293 -32.9293 -32.9279 -32.9279 3.4661 3.4661 6.7733 6.7733 7.7211 7.7211 8.4168 8.4168 8.5238 8.5238 9.8338 9.8338 10.6945 10.6945 11.4340 11.4340 11.6468 11.6468 15.4166 15.4166 15.8270 15.8270 18.2690 18.2690 k = 0.3208-0.1852 0.2619 ( 6426 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8980 -33.8980 -32.9294 -32.9294 -32.9279 -32.9279 3.5621 3.5621 6.7425 6.7425 7.6785 7.6785 8.4247 8.4247 8.5641 8.5641 9.8505 9.8505 10.5609 10.5609 11.3090 11.3090 11.5407 11.5407 15.4412 15.4412 15.8592 15.8592 18.3937 18.3937 k = 0.3302-0.1906 0.2696 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8980 -33.8980 -32.9295 -32.9295 -32.9280 -32.9280 3.6607 3.6607 6.7128 6.7128 7.6278 7.6278 8.4391 8.4391 8.6062 8.6062 9.8667 9.8667 10.4307 10.4307 11.1885 11.1885 11.4360 11.4360 15.4644 15.4644 15.8900 15.8900 18.5214 18.5214 k = 0.3396-0.1961 0.2773 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8979 -33.8979 -32.9297 -32.9297 -32.9280 -32.9280 3.7616 3.7616 6.6844 6.6844 7.5696 7.5696 8.4592 8.4592 8.6500 8.6500 9.8821 9.8821 10.3050 10.3050 11.0721 11.0721 11.3328 11.3328 15.4862 15.4862 15.9193 15.9193 18.6518 18.6518 k = 0.3491-0.2015 0.2850 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8979 -33.8979 -32.9298 -32.9298 -32.9281 -32.9281 3.8650 3.8650 6.6572 6.6572 7.5043 7.5043 8.4841 8.4841 8.6955 8.6955 9.8968 9.8968 10.1846 10.1846 10.9594 10.9594 11.2312 11.2312 15.5066 15.5066 15.9470 15.9470 18.7850 18.7850 k = 0.3585-0.2070 0.2927 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8979 -33.8979 -32.9299 -32.9299 -32.9281 -32.9281 3.9706 3.9706 6.6314 6.6314 7.4324 7.4324 8.5131 8.5131 8.7427 8.7427 9.9105 9.9105 10.0704 10.0704 10.8504 10.8504 11.1316 11.1316 15.5257 15.5257 15.9731 15.9731 18.9206 18.9206 k = 0.3679-0.2124 0.3004 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8978 -33.8978 -32.9301 -32.9301 -32.9282 -32.9282 4.0784 4.0784 6.6070 6.6070 7.3543 7.3543 8.5455 8.5455 8.7916 8.7916 9.9231 9.9231 9.9630 9.9630 10.7448 10.7448 11.0339 11.0339 15.5434 15.5434 15.9976 15.9976 19.0587 19.0587 k = 0.3774-0.2179 0.3081 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8978 -33.8978 -32.9302 -32.9302 -32.9282 -32.9282 4.1884 4.1884 6.5841 6.5841 7.2703 7.2703 8.5807 8.5807 8.8423 8.8423 9.8632 9.8632 9.9343 9.9343 10.6424 10.6424 10.9385 10.9385 15.5598 15.5598 16.0204 16.0204 19.1990 19.1990 k = 0.3868-0.2233 0.3158 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8978 -33.8978 -32.9303 -32.9303 -32.9283 -32.9283 4.3004 4.3004 6.5627 6.5627 7.1807 7.1807 8.6181 8.6181 8.8946 8.8946 9.7715 9.7715 9.9438 9.9438 10.5433 10.5433 10.8457 10.8457 15.5749 15.5749 16.0415 16.0415 19.3413 19.3413 k = 0.3962-0.2288 0.3235 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8977 -33.8977 -32.9304 -32.9304 -32.9283 -32.9283 4.4143 4.4143 6.5428 6.5428 7.0859 7.0859 8.6572 8.6572 8.9485 8.9485 9.6883 9.6883 9.9512 9.9512 10.4474 10.4474 10.7559 10.7559 15.5887 15.5887 16.0610 16.0610 19.4856 19.4856 k = 0.4057-0.2342 0.3312 ( 6454 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8977 -33.8977 -32.9305 -32.9305 -32.9284 -32.9284 4.5300 4.5300 6.5245 6.5245 6.9862 6.9862 8.6975 8.6975 9.0040 9.0040 9.6141 9.6141 9.9561 9.9561 10.3546 10.3546 10.6696 10.6696 15.6012 15.6012 16.0788 16.0788 19.6315 19.6315 k = 0.4151-0.2397 0.3389 ( 6462 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9306 -32.9306 -32.9284 -32.9284 4.6473 4.6473 6.5079 6.5079 6.8820 6.8820 8.7382 8.7382 9.0610 9.0610 9.5492 9.5492 9.9577 9.9577 10.2652 10.2652 10.5877 10.5877 15.6125 15.6125 16.0948 16.0948 19.7468 19.7788 k = 0.4245-0.2451 0.3466 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9307 -32.9307 -32.9284 -32.9284 4.7660 4.7660 6.4929 6.4929 6.7739 6.7739 8.7786 8.7786 9.1195 9.1195 9.4940 9.4940 9.9549 9.9549 10.1793 10.1793 10.5112 10.5112 15.6226 15.6226 16.1092 16.1092 19.7232 19.7232 k = 0.4340-0.2505 0.3543 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9308 -32.9308 -32.9285 -32.9285 4.8858 4.8858 6.4797 6.4797 6.6624 6.6624 8.8177 8.8177 9.1792 9.1792 9.4490 9.4490 9.9465 9.9465 10.0972 10.0972 10.4416 10.4416 15.6315 15.6315 16.1219 16.1219 19.7019 19.7019 k = 0.4434-0.2560 0.3620 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9308 -32.9308 -32.9285 -32.9285 5.0063 5.0063 6.4681 6.4681 6.5483 6.5483 8.8543 8.8543 9.2400 9.2400 9.4146 9.4146 9.9308 9.9308 10.0194 10.0194 10.3807 10.3807 15.6392 15.6392 16.1329 16.1329 19.6833 19.6833 k = 0.4528-0.2614 0.3697 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9309 -32.9309 -32.9285 -32.9285 5.1271 5.1271 6.4323 6.4323 6.4583 6.4583 8.8869 8.8869 9.3016 9.3016 9.3913 9.3913 9.9063 9.9063 9.9467 9.9467 10.3302 10.3302 15.6457 15.6457 16.1422 16.1422 19.6673 19.6673 k = 0.4623-0.2669 0.3774 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9309 -32.9309 -32.9285 -32.9285 5.2472 5.2472 6.3158 6.3158 6.4503 6.4503 8.9141 8.9141 9.3634 9.3634 9.3790 9.3790 9.8725 9.8725 9.8802 9.8802 10.2912 10.2912 15.6509 15.6509 16.1498 16.1498 19.6542 19.6542 k = 0.4717-0.2723 0.3851 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9285 -32.9285 5.3648 5.3648 6.2006 6.2006 6.4440 6.4440 8.9351 8.9351 9.3766 9.3766 9.4245 9.4245 9.8219 9.8219 9.8307 9.8307 10.2634 10.2634 15.6551 15.6551 16.1557 16.1557 19.6439 19.6439 k = 0.4811-0.2778 0.3928 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.4759 5.4759 6.0910 6.0910 6.4395 6.4395 8.9494 8.9494 9.3811 9.3811 9.4827 9.4827 9.7747 9.7747 9.7845 9.7845 10.2454 10.2454 15.6580 15.6580 16.1599 16.1599 19.6366 19.6366 k = 0.4906-0.2832 0.4005 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.5689 5.5689 5.9989 5.9989 6.4368 6.4368 8.9576 8.9576 9.3876 9.3876 9.5319 9.5319 9.7416 9.7416 9.7431 9.7431 10.2354 10.2354 15.6598 15.6598 16.1625 16.1625 19.6321 19.6321 k = 0.5000-0.2887 0.4082 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6107 5.6107 5.9574 5.9574 6.4359 6.4359 8.9603 8.9603 9.3906 9.3906 9.5543 9.5543 9.7211 9.7211 9.7318 9.7318 10.2323 10.2323 15.6603 15.6603 16.1633 16.1633 19.6306 19.6306 k = 0.5000-0.2887 0.4082 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6107 5.6107 5.9574 5.9574 6.4359 6.4359 8.9603 8.9603 9.3906 9.3906 9.5543 9.5543 9.7211 9.7211 9.7318 9.7318 10.2323 10.2323 15.6603 15.6603 16.1633 16.1633 19.6306 19.6306 k = 0.5000-0.2780 0.4158 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6112 5.6112 5.9586 5.9586 6.4349 6.4349 8.9537 8.9537 9.3803 9.3803 9.5599 9.5599 9.6782 9.6782 9.7823 9.7823 10.2374 10.2374 15.6613 15.6613 16.1646 16.1646 19.6206 19.6206 k = 0.5000-0.2673 0.4234 ( 6440 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6127 5.6127 5.9621 5.9621 6.4319 6.4319 8.9334 8.9334 9.3551 9.3551 9.5728 9.5728 9.6404 9.6404 9.8407 9.8407 10.2537 10.2537 15.6640 15.6640 16.1685 16.1685 19.5908 19.5908 k = 0.5000-0.2566 0.4309 ( 6444 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6151 5.6151 5.9679 5.9679 6.4270 6.4270 8.8986 8.8986 9.3252 9.3252 9.5842 9.5842 9.6157 9.6157 9.8962 9.8962 10.2832 10.2832 15.6687 15.6687 16.1750 16.1750 19.5422 19.5422 k = 0.5000-0.2459 0.4385 ( 6448 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6186 5.6186 5.9761 5.9761 6.4202 6.4202 8.8492 8.8492 9.2980 9.2980 9.5755 9.5755 9.6186 9.6186 9.9434 9.9434 10.3281 10.3281 15.6754 15.6754 16.1841 16.1841 19.4766 19.4766 k = 0.5000-0.2352 0.4460 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6230 5.6230 5.9866 5.9866 6.4115 6.4115 8.7867 8.7867 9.2768 9.2768 9.5580 9.5580 9.6350 9.6350 9.9799 9.9799 10.3883 10.3883 15.6841 15.6841 16.1960 16.1960 19.3957 19.3957 k = 0.5000-0.2245 0.4536 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6283 5.6283 5.9994 5.9994 6.4010 6.4010 8.7139 8.7139 9.2619 9.2619 9.5417 9.5417 9.6533 9.6533 10.0065 10.0065 10.4616 10.4616 15.6950 15.6950 16.2106 16.2106 19.3018 19.3018 k = 0.5000-0.2138 0.4612 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9309 -32.9309 -32.9286 -32.9286 5.6347 5.6347 6.0145 6.0145 6.3889 6.3889 8.6337 8.6337 9.2522 9.2522 9.5272 9.5272 9.6719 9.6719 10.0255 10.0255 10.5442 10.5442 15.7082 15.7082 16.2280 16.2280 19.1969 19.1969 k = 0.5000-0.2031 0.4687 ( 6456 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9309 -32.9309 -32.9286 -32.9286 5.6420 5.6420 6.0319 6.0319 6.3752 6.3752 8.5487 8.5487 9.2466 9.2466 9.5142 9.5142 9.6905 9.6905 10.0393 10.0393 10.6327 10.6327 15.7239 15.7239 16.2484 16.2484 19.0833 19.0833 k = 0.5000-0.1925 0.4763 ( 6460 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9309 -32.9309 -32.9286 -32.9286 5.6502 5.6502 6.0515 6.0515 6.3600 6.3600 8.4608 8.4608 9.2439 9.2439 9.5024 9.5024 9.7089 9.7089 10.0498 10.0498 10.7244 10.7244 15.7423 15.7423 16.2718 16.2718 18.9627 18.9627 k = 0.5000-0.1818 0.4838 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9309 -32.9309 -32.9286 -32.9286 5.6594 5.6594 6.0732 6.0732 6.3435 6.3435 8.3714 8.3714 9.2435 9.2435 9.4915 9.4915 9.7271 9.7271 10.0581 10.0581 10.8174 10.8174 15.7635 15.7635 16.2983 16.2983 18.8369 18.8369 k = 0.5000-0.1711 0.4914 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9308 -32.9308 -32.9286 -32.9286 5.6695 5.6695 6.0971 6.0971 6.3258 6.3258 8.2815 8.2815 9.2447 9.2447 9.4813 9.4813 9.7449 9.7449 10.0650 10.0650 10.9104 10.9104 15.7876 15.7876 16.3280 16.3280 18.7074 18.7074 k = 0.5000-0.1604 0.4990 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9308 -32.9308 -32.9287 -32.9287 5.6805 5.6805 6.1229 6.1229 6.3071 6.3071 8.1918 8.1918 9.2472 9.2472 9.4718 9.4718 9.7622 9.7622 10.0709 10.0709 11.0022 11.0022 15.8150 15.8150 16.3609 16.3609 18.5753 18.5753 k = 0.5000-0.1497 0.5065 ( 6472 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9308 -32.9308 -32.9287 -32.9287 5.6924 5.6924 6.1505 6.1505 6.2877 6.2877 8.1030 8.1030 9.2508 9.2508 9.4629 9.4629 9.7790 9.7790 10.0762 10.0762 11.0919 11.0919 15.8457 15.8457 16.3970 16.3970 18.4419 18.4419 k = 0.5000-0.1390 0.5141 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9307 -32.9307 -32.9287 -32.9287 5.7051 5.7051 6.1794 6.1794 6.2681 6.2681 8.0154 8.0154 9.2551 9.2551 9.4543 9.4543 9.7950 9.7950 10.0810 10.0810 11.1788 11.1788 15.8800 15.8800 16.4363 16.4363 18.3081 18.3081 k = 0.5000-0.1283 0.5217 ( 6488 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9307 -32.9307 -32.9287 -32.9287 5.7187 5.7187 6.2068 6.2068 6.2511 6.2511 7.9295 7.9295 9.2600 9.2600 9.4461 9.4461 9.8103 9.8103 10.0854 10.0854 11.2622 11.2622 15.9180 15.9180 16.4788 16.4788 18.1747 18.1747 k = 0.5000-0.1176 0.5292 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9307 -32.9307 -32.9287 -32.9287 5.7331 5.7331 6.2127 6.2127 6.2567 6.2567 7.8457 7.8457 9.2655 9.2655 9.4382 9.4382 9.8246 9.8246 10.0895 10.0895 11.3414 11.3414 15.9598 15.9598 16.5242 16.5242 18.0424 18.0424 k = 0.5000-0.1069 0.5368 ( 6482 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9306 -32.9306 -32.9287 -32.9287 5.7483 5.7483 6.1950 6.1950 6.2870 6.2870 7.7643 7.7643 9.2713 9.2713 9.4306 9.4306 9.8380 9.8380 10.0933 10.0933 11.4159 11.4159 16.0056 16.0056 16.5723 16.5723 17.9120 17.9120 k = 0.5000-0.0962 0.5443 ( 6470 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9306 -32.9306 -32.9288 -32.9288 5.7642 5.7642 6.1734 6.1734 6.3222 6.3222 7.6857 7.6857 9.2774 9.2774 9.4232 9.4232 9.8502 9.8502 10.0969 10.0969 11.4851 11.4851 16.0555 16.0555 16.6224 16.6224 17.7840 17.7840 k = 0.5000-0.0855 0.5519 ( 6472 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9306 -32.9306 -32.9288 -32.9288 5.7807 5.7807 6.1509 6.1509 6.3589 6.3589 7.6104 7.6104 9.2837 9.2837 9.4160 9.4160 9.8614 9.8614 10.1002 10.1002 11.5486 11.5486 16.1095 16.1095 16.6740 16.6740 17.6590 17.6590 k = 0.5000-0.0748 0.5595 ( 6474 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9305 -32.9305 -32.9288 -32.9288 5.7978 5.7978 6.1282 6.1282 6.3964 6.3964 7.5390 7.5390 9.2901 9.2901 9.4091 9.4091 9.8713 9.8713 10.1033 10.1033 11.6057 11.6057 16.1676 16.1676 16.7259 16.7259 17.5379 17.5379 k = 0.5000-0.0642 0.5670 ( 6470 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9305 -32.9305 -32.9288 -32.9288 5.8153 5.8153 6.1056 6.1056 6.4337 6.4337 7.4721 7.4721 9.2965 9.2965 9.4024 9.4024 9.8800 9.8800 10.1060 10.1060 11.6562 11.6562 16.2296 16.2296 16.7765 16.7765 17.4215 17.4215 k = 0.5000-0.0535 0.5746 ( 6470 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9305 -32.9305 -32.9288 -32.9288 5.8331 5.8331 6.0834 6.0834 6.4700 6.4700 7.4108 7.4108 9.3027 9.3027 9.3960 9.3960 9.8873 9.8873 10.1084 10.1084 11.6996 11.6996 16.2955 16.2955 16.8233 16.8233 17.3113 17.3113 k = 0.5000-0.0428 0.5821 ( 6478 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9288 -32.9288 5.8507 5.8507 6.0620 6.0620 6.5040 6.5040 7.3563 7.3563 9.3086 9.3086 9.3900 9.3900 9.8934 9.8934 10.1104 10.1104 11.7355 11.7355 16.3645 16.3645 16.8622 16.8622 17.2104 17.2104 k = 0.5000-0.0321 0.5897 ( 6474 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8677 5.8677 6.0421 6.0421 6.5340 6.5340 7.3103 7.3103 9.3139 9.3139 9.3846 9.3846 9.8982 9.8982 10.1120 10.1120 11.7638 11.7638 16.4354 16.4354 16.8850 16.8850 17.1259 17.1259 k = 0.5000-0.0214 0.5973 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8828 5.8828 6.0248 6.0248 6.5579 6.5579 7.2749 7.2749 9.3183 9.3183 9.3802 9.3802 9.9015 9.9015 10.1132 10.1132 11.7841 11.7841 16.5055 16.5055 16.8780 16.8780 17.0721 17.0721 k = 0.5000-0.0107 0.6048 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8941 5.8941 6.0122 6.0122 6.5735 6.5735 7.2524 7.2524 9.3213 9.3213 9.3773 9.3773 9.9036 9.9036 10.1139 10.1139 11.7964 11.7964 16.5662 16.5662 16.8426 16.8426 17.0535 17.0535 k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9289 -32.9289 5.8985 5.8985 6.0074 6.0074 6.5790 6.5790 7.2447 7.2447 9.3224 9.3224 9.3762 9.3762 9.9043 9.9043 10.1141 10.1141 11.8005 11.8005 16.5941 16.5941 16.8200 16.8200 17.0507 17.0507 k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9289 -32.9289 5.8985 5.8985 6.0074 6.0074 6.5790 6.5790 7.2447 7.2447 9.3224 9.3224 9.3762 9.3762 9.9043 9.9043 10.1141 10.1141 11.8005 11.8005 16.5941 16.5941 16.8200 16.8200 17.0507 17.0507 k = 0.4934 0.0114 0.6124 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8934 5.8934 6.0043 6.0043 6.5847 6.5847 7.2494 7.2494 9.3147 9.3147 9.3817 9.3817 9.9020 9.9020 10.1188 10.1188 11.7990 11.7990 16.5768 16.5768 16.8326 16.8326 17.0533 17.0533 k = 0.4868 0.0228 0.6124 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8819 5.8819 5.9931 5.9931 6.5993 6.5993 7.2641 7.2641 9.2973 9.2973 9.3924 9.3924 9.8956 9.8956 10.1325 10.1325 11.7943 11.7943 16.5320 16.5320 16.8624 16.8624 17.0633 17.0633 k = 0.4803 0.0342 0.6124 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8670 5.8670 5.9749 5.9749 6.6179 6.6179 7.2895 7.2895 9.2761 9.2761 9.4021 9.4021 9.8867 9.8867 10.1541 10.1541 11.7861 11.7861 16.4722 16.4722 16.8940 16.8940 17.0856 17.0856 k = 0.4737 0.0456 0.6124 ( 6479 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8496 5.8496 5.9527 5.9527 6.6364 6.6364 7.3254 7.3254 9.2530 9.2530 9.4082 9.4082 9.8775 9.8775 10.1819 10.1819 11.7742 11.7742 16.4052 16.4052 16.9163 16.9163 17.1251 17.1251 k = 0.4671 0.0570 0.6124 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8296 5.8296 5.9297 5.9297 6.6522 6.6522 7.3713 7.3713 9.2290 9.2290 9.4097 9.4097 9.8698 9.8698 10.2143 10.2143 11.7586 11.7586 16.3353 16.3353 16.9277 16.9277 17.1810 17.1810 k = 0.4605 0.0684 0.6124 ( 6485 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8070 5.8070 5.9082 5.9082 6.6643 6.6643 7.4257 7.4257 9.2042 9.2042 9.4061 9.4061 9.8650 9.8650 10.2503 10.2503 11.7390 11.7390 16.2649 16.2649 16.9313 16.9313 17.2489 17.2489 k = 0.4539 0.0798 0.6124 ( 6487 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7822 5.7822 5.8893 5.8893 6.6727 6.6727 7.4867 7.4867 9.1787 9.1787 9.3974 9.3974 9.8634 9.8634 10.2893 10.2893 11.7157 11.7157 16.1960 16.1960 16.9308 16.9308 17.3250 17.3250 k = 0.4474 0.0912 0.6124 ( 6483 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7561 5.7561 5.8734 5.8734 6.6779 6.6779 7.5525 7.5525 9.1525 9.1525 9.3843 9.3843 9.8650 9.8650 10.3307 10.3307 11.6886 11.6886 16.1296 16.1296 16.9281 16.9281 17.4067 17.4067 k = 0.4408 0.1026 0.6124 ( 6477 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7297 5.7297 5.8600 5.8600 6.6805 6.6805 7.6211 7.6211 9.1252 9.1252 9.3680 9.3680 9.8693 9.8693 10.3741 10.3741 11.6581 11.6581 16.0669 16.0669 16.9243 16.9243 17.4927 17.4927 k = 0.4342 0.1140 0.6124 ( 6477 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.7040 5.7040 5.8487 5.8487 6.6814 6.6814 7.6911 7.6911 9.0969 9.0969 9.3498 9.3498 9.8755 9.8755 10.4190 10.4190 11.6245 11.6245 16.0087 16.0087 16.9201 16.9201 17.5820 17.5820 k = 0.4276 0.1253 0.6124 ( 6471 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.6798 5.6798 5.8391 5.8391 6.6810 6.6810 7.7608 7.7608 9.0673 9.0673 9.3309 9.3309 9.8829 9.8829 10.4650 10.4650 11.5883 11.5883 15.9554 15.9554 16.9159 16.9159 17.6738 17.6738 k = 0.4211 0.1367 0.6124 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.6576 5.6576 5.8310 5.8310 6.6799 6.6799 7.8289 7.8289 9.0366 9.0366 9.3126 9.3126 9.8908 9.8908 10.5113 10.5113 11.5503 11.5503 15.9076 15.9076 16.9119 16.9119 17.7671 17.7671 k = 0.4145 0.1481 0.6124 ( 6473 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.6379 5.6379 5.8242 5.8242 6.6783 6.6783 7.8940 7.8940 9.0052 9.0052 9.2956 9.2956 9.8985 9.8985 10.5571 10.5571 11.5113 11.5113 15.8656 15.8656 16.9083 16.9083 17.8609 17.8609 k = 0.4079 0.1595 0.6124 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.6208 5.6208 5.8186 5.8186 6.6766 6.6766 7.9545 7.9545 8.9739 8.9739 9.2807 9.2807 9.9057 9.9057 10.6015 10.6015 11.4725 11.4725 15.8298 15.8298 16.9051 16.9051 17.9535 17.9535 k = 0.4013 0.1709 0.6124 ( 6478 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.6066 5.6066 5.8141 5.8141 6.6750 6.6750 8.0088 8.0088 8.9439 8.9439 9.2682 9.2682 9.9120 9.9120 10.6427 10.6427 11.4356 11.4356 15.8002 15.8002 16.9024 16.9024 18.0426 18.0426 k = 0.3947 0.1823 0.6124 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5955 5.5955 5.8106 5.8106 6.6736 6.6736 8.0547 8.0547 8.9170 8.9170 9.2584 9.2584 9.9171 9.9171 10.6790 10.6790 11.4026 11.4026 15.7771 15.7771 16.9003 16.9003 18.1243 18.1243 k = 0.3882 0.1937 0.6124 ( 6481 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5874 5.5874 5.8081 5.8081 6.6725 6.6725 8.0900 8.0900 8.8954 8.8954 9.2514 9.2514 9.9209 9.9209 10.7079 10.7079 11.3760 11.3760 15.7605 15.7605 16.8988 16.8988 18.1929 18.1929 k = 0.3816 0.2051 0.6124 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5826 5.5826 5.8066 5.8066 6.6719 6.6719 8.1124 8.1124 8.8812 8.8812 9.2472 9.2472 9.9232 9.9232 10.7267 10.7267 11.3585 11.3585 15.7505 15.7505 16.8979 16.8979 18.2401 18.2401 k = 0.3750 0.2165 0.6124 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5810 5.5810 5.8061 5.8061 6.6716 6.6716 8.1201 8.1201 8.8762 8.8762 9.2458 9.2458 9.9240 9.9240 10.7333 10.7333 11.3524 11.3524 15.7472 15.7472 16.8976 16.8976 18.2571 18.2571 k = 0.3750 0.2165 0.6124 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5810 5.5810 5.8061 5.8061 6.6716 6.6716 8.1201 8.1201 8.8762 8.8762 9.2458 9.2458 9.9240 9.9240 10.7333 10.7333 11.3524 11.3524 15.7472 15.7472 16.8976 16.8976 18.2571 18.2571 k = 0.3683 0.2126 0.6014 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.5023 5.5023 5.8245 5.8245 6.7261 6.7261 8.1090 8.1090 8.8532 8.8532 9.2275 9.2275 9.9573 9.9573 10.7463 10.7463 11.4430 11.4430 15.7448 15.7448 16.9849 16.9849 18.1883 18.1883 k = 0.3616 0.2088 0.5905 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9286 -32.9286 5.4186 5.4186 5.8451 5.8451 6.7823 6.7823 8.1044 8.1044 8.8326 8.8326 9.2077 9.2077 9.9928 9.9928 10.7546 10.7546 11.5352 11.5352 15.7417 15.7417 17.0750 17.0750 18.1228 18.1228 k = 0.3549 0.2049 0.5796 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9303 -32.9303 -32.9286 -32.9286 5.3309 5.3309 5.8673 5.8673 6.8396 6.8396 8.1059 8.1059 8.8146 8.8146 9.1862 9.1862 10.0302 10.0302 10.7588 10.7588 11.6290 11.6290 15.7381 15.7381 17.1671 17.1671 18.0605 18.0605 k = 0.3482 0.2010 0.5686 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9286 -32.9286 5.2399 5.2399 5.8910 5.8910 6.8974 6.8974 8.1136 8.1136 8.7996 8.7996 9.1634 9.1634 10.0691 10.0691 10.7594 10.7594 11.7244 11.7244 15.7340 15.7340 17.2604 17.2604 18.0015 18.0015 k = 0.3415 0.1972 0.5577 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9286 -32.9286 5.1464 5.1464 5.9159 5.9159 6.9551 6.9551 8.1272 8.1272 8.7878 8.7878 9.1393 9.1393 10.1089 10.1089 10.7574 10.7574 11.8212 11.8212 15.7296 15.7296 17.3540 17.3540 17.9460 17.9460 k = 0.3348 0.1933 0.5468 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9301 -32.9301 -32.9285 -32.9285 5.0508 5.0508 5.9420 5.9420 7.0120 7.0120 8.1466 8.1466 8.7796 8.7796 9.1140 9.1140 10.1489 10.1489 10.7536 10.7536 11.9194 11.9194 15.7248 15.7248 17.4470 17.4470 17.8940 17.8940 k = 0.3281 0.1894 0.5358 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8981 -33.8981 -32.9301 -32.9301 -32.9285 -32.9285 4.9535 4.9535 5.9694 5.9694 7.0676 7.0676 8.1714 8.1714 8.7756 8.7756 9.0878 9.0878 10.1879 10.1879 10.7494 10.7494 12.0191 12.0191 15.7199 15.7199 17.5381 17.5381 17.8460 17.8460 k = 0.3214 0.1856 0.5249 ( 6457 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9300 -32.9300 -32.9285 -32.9285 4.8550 4.8550 5.9979 5.9979 7.1213 7.1213 8.2008 8.2008 8.7764 8.7764 9.0608 9.0608 10.2246 10.2246 10.7466 10.7466 12.1201 12.1201 15.7149 15.7149 17.6240 17.6240 17.8042 17.8042 k = 0.3147 0.1817 0.5140 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9299 -32.9299 -32.9284 -32.9284 4.7557 4.7557 6.0276 6.0276 7.1727 7.1727 8.2341 8.2341 8.7828 8.7828 9.0334 9.0334 10.2570 10.2570 10.7474 10.7474 12.2225 12.2225 15.7098 15.7098 17.6884 17.6884 17.7837 17.7837 k = 0.3080 0.1778 0.5030 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9299 -32.9299 -32.9284 -32.9284 4.6558 4.6558 6.0585 6.0585 7.2214 7.2214 8.2700 8.2700 8.7957 8.7957 9.0060 9.0060 10.2828 10.2828 10.7545 10.7545 12.3261 12.3261 15.7047 15.7047 17.6826 17.6826 17.7776 17.7776 k = 0.3013 0.1740 0.4921 ( 6463 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9298 -32.9298 -32.9283 -32.9283 4.5556 4.5556 6.0905 6.0905 7.2670 7.2670 8.3068 8.3068 8.8157 8.8157 8.9797 8.9797 10.3000 10.3000 10.7703 10.7703 12.4310 12.4310 15.6998 15.6998 17.6213 17.6213 17.6838 17.6838 k = 0.2946 0.1701 0.4811 ( 6463 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9298 -32.9298 -32.9283 -32.9283 4.4555 4.4555 6.1236 6.1236 7.3097 7.3097 8.3428 8.3428 8.8413 8.8413 8.9574 8.9574 10.3072 10.3072 10.7966 10.7966 12.5372 12.5372 15.6950 15.6950 17.5116 17.5116 17.6382 17.6382 k = 0.2879 0.1662 0.4702 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9297 -32.9297 -32.9282 -32.9282 4.3556 4.3556 6.1578 6.1578 7.3492 7.3492 8.3765 8.3765 8.8617 8.8617 8.9513 8.9513 10.3047 10.3047 10.8336 10.8336 12.6445 12.6445 15.6905 15.6905 17.3937 17.3937 17.6041 17.6041 k = 0.2812 0.1624 0.4593 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9296 -32.9296 -32.9282 -32.9282 4.2562 4.2562 6.1931 6.1931 7.3857 7.3857 8.4066 8.4066 8.8568 8.8568 8.9819 8.9819 10.2939 10.2939 10.8803 10.8803 12.7530 12.7530 15.6862 15.6862 17.2761 17.2761 17.5736 17.5736 k = 0.2746 0.1585 0.4483 ( 6455 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9296 -32.9296 -32.9281 -32.9281 4.1574 4.1574 6.2295 6.2295 7.4194 7.4194 8.4328 8.4328 8.8354 8.8354 9.0404 9.0404 10.2770 10.2770 10.9353 10.9353 12.8627 12.8627 15.6823 15.6823 17.1602 17.1602 17.5458 17.5458 k = 0.2679 0.1546 0.4374 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9295 -32.9295 -32.9281 -32.9281 4.0595 4.0595 6.2669 6.2669 7.4505 7.4505 8.4551 8.4551 8.8094 8.8094 9.1139 9.1139 10.2561 10.2561 10.9969 10.9969 12.9734 12.9734 15.6789 15.6789 17.0463 17.0463 17.5201 17.5201 k = 0.2612 0.1508 0.4265 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9294 -32.9294 -32.9280 -32.9280 3.9625 3.9625 6.3053 6.3053 7.4790 7.4790 8.4740 8.4740 8.7827 8.7827 9.1970 9.1970 10.2336 10.2336 11.0641 11.0641 13.0852 13.0852 15.6759 15.6759 16.9343 16.9343 17.4961 17.4961 k = 0.2545 0.1469 0.4155 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8983 -33.8983 -32.9293 -32.9293 -32.9279 -32.9279 3.8667 3.8667 6.3447 6.3447 7.5053 7.5053 8.4896 8.4896 8.7569 8.7569 9.2864 9.2864 10.2118 10.2118 11.1359 11.1359 13.1980 13.1980 15.6735 15.6735 16.8245 16.8245 17.4728 17.4728 k = 0.2478 0.1430 0.4046 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8983 -33.8983 -32.9293 -32.9293 -32.9279 -32.9279 3.7722 3.7722 6.3850 6.3850 7.5295 7.5295 8.5017 8.5017 8.7333 8.7333 9.3787 9.3787 10.1933 10.1933 11.2117 11.2117 13.3117 13.3117 15.6717 15.6717 16.7168 16.7168 17.4482 17.4482 k = 0.2411 0.1392 0.3937 ( 6455 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8983 -33.8983 -32.9292 -32.9292 -32.9278 -32.9278 3.6791 3.6791 6.4262 6.4262 7.5517 7.5517 8.5096 8.5096 8.7135 8.7135 9.4696 9.4696 10.1822 10.1822 11.2910 11.2910 13.4263 13.4263 15.6705 15.6705 16.6112 16.6112 17.4134 17.4134 k = 0.2344 0.1353 0.3827 ( 6455 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8983 -33.8983 -32.9291 -32.9291 -32.9277 -32.9277 3.5876 3.5876 6.4682 6.4682 7.5720 7.5720 8.5118 8.5118 8.6995 8.6995 9.5533 9.5533 10.1839 10.1839 11.3733 11.3733 13.5418 13.5418 15.6701 15.6701 16.5077 16.5077 17.3412 17.3412 k = 0.2277 0.1315 0.3718 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8983 -33.8983 -32.9290 -32.9290 -32.9276 -32.9276 3.4976 3.4976 6.5111 6.5111 7.5905 7.5905 8.5072 8.5072 8.6931 8.6931 9.6220 9.6220 10.2057 10.2057 11.4585 11.4585 13.6580 13.6580 15.6705 15.6705 16.4063 16.4063 17.2278 17.2278 k = 0.2210 0.1276 0.3609 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8983 -33.8983 -32.9289 -32.9289 -32.9276 -32.9276 3.4094 3.4094 6.5547 6.5547 7.6074 7.6074 8.4955 8.4955 8.6947 8.6947 9.6691 9.6691 10.2542 10.2542 11.5462 11.5462 13.7748 13.7748 15.6717 15.6717 16.3070 16.3070 17.1017 17.1017 k = 0.2143 0.1237 0.3499 ( 6463 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8984 -33.8984 -32.9288 -32.9288 -32.9275 -32.9275 3.3231 3.3231 6.5989 6.5989 7.6226 7.6226 8.4782 8.4782 8.7033 8.7033 9.6928 9.6928 10.3310 10.3310 11.6365 11.6365 13.8921 13.8921 15.6738 15.6738 16.2098 16.2098 16.9729 16.9729 k = 0.2076 0.1199 0.3390 ( 6463 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9287 -32.9287 -32.9274 -32.9274 3.2386 3.2386 6.6438 6.6438 7.6362 7.6362 8.4570 8.4570 8.7171 8.7171 9.6975 9.6975 10.4313 10.4313 11.7290 11.7290 14.0098 14.0098 15.6769 15.6769 16.1147 16.1147 16.8444 16.8444 k = 0.2009 0.1160 0.3281 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9286 -32.9286 -32.9274 -32.9274 3.1561 3.1561 6.6891 6.6891 7.6482 7.6482 8.4334 8.4334 8.7348 8.7348 9.6896 9.6896 10.5489 10.5489 11.8236 11.8236 14.1277 14.1277 15.6810 15.6810 16.0217 16.0217 16.7172 16.7172 k = 0.1942 0.1121 0.3171 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9285 -32.9285 -32.9273 -32.9273 3.0757 3.0757 6.7349 6.7349 7.6586 7.6586 8.4087 8.4087 8.7553 8.7553 9.6742 9.6742 10.6782 10.6782 11.9203 11.9203 14.2454 14.2454 15.6861 15.6861 15.9310 15.9310 16.5921 16.5921 k = 0.1875 0.1083 0.3062 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9284 -32.9284 -32.9272 -32.9272 2.9975 2.9975 6.7811 6.7811 7.6675 7.6675 8.3835 8.3835 8.7781 8.7781 9.6547 9.6547 10.8156 10.8156 12.0189 12.0189 14.3626 14.3626 15.6917 15.6917 15.8427 15.8427 16.4698 16.4698 k = 0.1808 0.1044 0.2953 ( 6439 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9283 -32.9283 -32.9272 -32.9272 2.9214 2.9214 6.8275 6.8275 7.6748 7.6748 8.3582 8.3582 8.8027 8.8027 9.6333 9.6333 10.9589 10.9589 12.1192 12.1192 14.4787 14.4787 15.6956 15.6956 15.7595 15.7595 16.3511 16.3511 k = 0.1741 0.1005 0.2843 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8983 -33.8983 -32.9282 -32.9282 -32.9271 -32.9271 2.8476 2.8476 6.8740 6.8740 7.6806 7.6806 8.3332 8.3332 8.8288 8.8288 9.6113 9.6113 11.1063 11.1063 12.2213 12.2213 14.5929 14.5929 15.6604 15.6604 15.7186 15.7186 16.2369 16.2369 k = 0.1674 0.0967 0.2734 ( 6425 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8983 -33.8983 -32.9281 -32.9281 -32.9271 -32.9271 2.7762 2.7762 6.9205 6.9205 7.6850 7.6850 8.3086 8.3086 8.8562 8.8562 9.5897 9.5897 11.2567 11.2567 12.3249 12.3249 14.7040 14.7040 15.5820 15.5820 15.7242 15.7242 16.1289 16.1289 k = 0.1607 0.0928 0.2624 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8983 -33.8983 -32.9280 -32.9280 -32.9270 -32.9270 2.7071 2.7071 6.9668 6.9668 7.6878 7.6878 8.2848 8.2848 8.8846 8.8846 9.5689 9.5689 11.4092 11.4092 12.4299 12.4299 14.8098 14.8098 15.5023 15.5023 15.7340 15.7340 16.0295 16.0295 k = 0.1540 0.0889 0.2515 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8983 -33.8983 -32.9279 -32.9279 -32.9270 -32.9270 2.6405 2.6405 7.0129 7.0129 7.6893 7.6893 8.2617 8.2617 8.9141 8.9141 9.5495 9.5495 11.5628 11.5628 12.5361 12.5361 14.9067 14.9067 15.4246 15.4246 15.7440 15.7440 15.9434 15.9434 k = 0.1473 0.0851 0.2406 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8983 -33.8983 -32.9278 -32.9278 -32.9269 -32.9269 2.5763 2.5763 7.0585 7.0585 7.6895 7.6895 8.2395 8.2395 8.9443 8.9443 9.5317 9.5317 11.7170 11.7170 12.6434 12.6434 14.9886 14.9886 15.3502 15.3502 15.7506 15.7506 15.8794 15.8794 k = 0.1406 0.0812 0.2296 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8983 -33.8983 -32.9277 -32.9277 -32.9268 -32.9268 2.5147 2.5147 7.1035 7.1035 7.6884 7.6884 8.2184 8.2184 8.9751 8.9751 9.5155 9.5155 11.8709 11.8709 12.7516 12.7516 15.0449 15.0449 15.2810 15.2810 15.7497 15.7497 15.8504 15.8504 k = 0.1339 0.0773 0.2187 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9276 -32.9276 -32.9268 -32.9268 2.4557 2.4557 7.1476 7.1476 7.6863 7.6863 8.1983 8.1983 9.0064 9.0064 9.5011 9.5011 12.0240 12.0240 12.8604 12.8604 15.0630 15.0630 15.2195 15.2195 15.7535 15.7535 15.8544 15.8544 k = 0.1272 0.0735 0.2078 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9275 -32.9275 -32.9267 -32.9267 2.3993 2.3993 7.1908 7.1908 7.6831 7.6831 8.1794 8.1794 9.0381 9.0381 9.4886 9.4886 12.1753 12.1753 12.9695 12.9695 15.0391 15.0391 15.1650 15.1650 15.7805 15.7805 15.8777 15.8777 k = 0.1205 0.0696 0.1968 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9274 -32.9274 -32.9267 -32.9267 2.3456 2.3456 7.2327 7.2327 7.6790 7.6790 8.1618 8.1618 9.0699 9.0699 9.4778 9.4778 12.3243 12.3243 13.0786 13.0786 14.9883 14.9883 15.1089 15.1089 15.8269 15.8269 15.9181 15.9181 k = 0.1138 0.0657 0.1859 ( 6445 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9273 -32.9273 -32.9267 -32.9267 2.2945 2.2945 7.2732 7.2732 7.6742 7.6742 8.1455 8.1455 9.1017 9.1017 9.4688 9.4688 12.4702 12.4702 13.1872 13.1872 14.9265 14.9265 15.0466 15.0466 15.8751 15.8751 15.9819 15.9819 k = 0.1071 0.0619 0.1750 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9272 -32.9272 -32.9266 -32.9266 2.2462 2.2462 7.3120 7.3120 7.6688 7.6688 8.1307 8.1307 9.1333 9.1333 9.4614 9.4614 12.6120 12.6120 13.2950 13.2950 14.8611 14.8611 14.9802 14.9802 15.9178 15.9178 16.0672 16.0672 k = 0.1004 0.0580 0.1640 ( 6443 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9271 -32.9271 -32.9266 -32.9266 2.2007 2.2007 7.3489 7.3489 7.6629 7.6629 8.1175 8.1175 9.1646 9.1646 9.4555 9.4555 12.7490 12.7490 13.4012 13.4012 14.7951 14.7951 14.9126 14.9126 15.9586 15.9586 16.1645 16.1645 k = 0.0938 0.0541 0.1531 ( 6439 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8983 -33.8983 -32.9270 -32.9270 -32.9265 -32.9265 2.1579 2.1579 7.3836 7.3836 7.6568 7.6568 8.1059 8.1059 9.1953 9.1953 9.4509 9.4509 12.8803 12.8803 13.5053 13.5053 14.7300 14.7300 14.8462 14.8462 16.0006 16.0006 16.2669 16.2669 k = 0.0871 0.0503 0.1422 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8983 -33.8983 -32.9269 -32.9269 -32.9265 -32.9265 2.1180 2.1180 7.4160 7.4160 7.6504 7.6504 8.0959 8.0959 9.2252 9.2252 9.4476 9.4476 13.0051 13.0051 13.6064 13.6064 14.6669 14.6669 14.7824 14.7824 16.0447 16.0447 16.3707 16.3707 k = 0.0804 0.0464 0.1312 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9268 -32.9268 -32.9265 -32.9265 2.0809 2.0809 7.4458 7.4458 7.6439 7.6439 8.0877 8.0877 9.2542 9.2542 9.4453 9.4453 13.1223 13.1223 13.7037 13.7037 14.6069 14.6069 14.7218 14.7218 16.0914 16.0914 16.4729 16.4729 k = 0.0737 0.0425 0.1203 ( 6421 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9267 -32.9267 -32.9264 -32.9264 2.0468 2.0468 7.4728 7.4728 7.6376 7.6376 8.0812 8.0812 9.2820 9.2820 9.4440 9.4440 13.2311 13.2311 13.7964 13.7964 14.5508 14.5508 14.6650 14.6650 16.1405 16.1405 16.5711 16.5711 k = 0.0670 0.0387 0.1094 ( 6417 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9266 -32.9266 -32.9264 -32.9264 2.0155 2.0155 7.4970 7.4970 7.6314 7.6314 8.0765 8.0765 9.3084 9.3084 9.4434 9.4434 13.3305 13.3305 13.8836 13.8836 14.4997 14.4997 14.6123 14.6123 16.1916 16.1916 16.6622 16.6622 k = 0.0603 0.0348 0.0984 ( 6421 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9266 -32.9266 -32.9264 -32.9264 1.9871 1.9871 7.5182 7.5182 7.6254 7.6254 8.0734 8.0734 9.3331 9.3331 9.4434 9.4434 13.4195 13.4195 13.9644 13.9644 14.4545 14.4545 14.5639 14.5639 16.2441 16.2441 16.7438 16.7438 k = 0.0536 0.0309 0.0875 ( 6421 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9265 -32.9265 -32.9264 -32.9264 1.9617 1.9617 7.5366 7.5366 7.6199 7.6199 8.0717 8.0717 9.3560 9.3560 9.4438 9.4438 13.4974 13.4974 14.0380 14.0380 14.4160 14.4160 14.5199 14.5199 16.2976 16.2976 16.8160 16.8160 k = 0.0469 0.0271 0.0765 ( 6429 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9265 -32.9265 -32.9264 -32.9264 1.9392 1.9392 7.5521 7.5521 7.6148 7.6148 8.0712 8.0712 9.3768 9.3768 9.4445 9.4445 13.5635 13.5635 14.1038 14.1038 14.3847 14.3847 14.4806 14.4806 16.3516 16.3516 16.8839 16.8839 k = 0.0402 0.0232 0.0656 ( 6419 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9264 -32.9264 -32.9263 -32.9263 1.9197 1.9197 7.5650 7.5650 7.6103 7.6103 8.0717 8.0717 9.3954 9.3954 9.4454 9.4454 13.6175 13.6175 14.1614 14.1614 14.3607 14.3607 14.4462 14.4462 16.4059 16.4059 16.9533 16.9533 k = 0.0335 0.0193 0.0547 ( 6413 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9264 -32.9264 -32.9263 -32.9263 1.9032 1.9032 7.5754 7.5754 7.6063 7.6063 8.0729 8.0729 9.4114 9.4114 9.4464 9.4464 13.6597 13.6597 14.2103 14.2103 14.3439 14.3439 14.4168 14.4168 16.4601 16.4601 17.0267 17.0267 k = 0.0268 0.0155 0.0437 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8896 1.8896 7.5835 7.5835 7.6030 7.6030 8.0743 8.0743 9.4248 9.4248 9.4473 9.4473 13.6909 13.6909 14.2504 14.2504 14.3331 14.3331 14.3928 14.3928 16.5131 16.5131 17.1031 17.1031 k = 0.0201 0.0116 0.0328 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8791 1.8791 7.5895 7.5895 7.6004 7.6004 8.0758 8.0758 9.4354 9.4354 9.4481 9.4481 13.7126 13.7126 14.2816 14.2816 14.3268 14.3268 14.3744 14.3744 16.5627 16.5627 17.1778 17.1778 k = 0.0134 0.0077 0.0219 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8715 1.8715 7.5937 7.5937 7.5985 7.5985 8.0771 8.0771 9.4431 9.4431 9.4487 9.4487 13.7266 13.7266 14.3037 14.3037 14.3235 14.3235 14.3617 14.3617 16.6051 16.6051 17.2420 17.2420 k = 0.0067 0.0039 0.0109 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8670 1.8670 7.5962 7.5962 7.5974 7.5974 8.0780 8.0780 9.4477 9.4477 9.4491 9.4491 13.7342 13.7342 14.3168 14.3168 14.3217 14.3217 14.3546 14.3546 16.6346 16.6346 17.2840 17.2840 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8655 1.8655 7.5970 7.5970 7.5970 7.5970 8.0783 8.0783 9.4492 9.4492 9.4492 9.4492 13.7366 13.7366 14.3211 14.3211 14.3211 14.3211 14.3524 14.3524 16.6453 16.6453 17.2981 17.2981 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8655 1.8655 7.5970 7.5970 7.5970 7.5970 8.0783 8.0783 9.4492 9.4492 9.4492 9.4492 13.7366 13.7366 14.3211 14.3211 14.3211 14.3211 14.3524 14.3524 16.6453 16.6453 17.2981 17.2981 k = 0.0109 0.0063 0.0044 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8670 1.8670 7.5962 7.5962 7.5974 7.5974 8.0780 8.0780 9.4480 9.4480 9.4488 9.4488 13.7342 13.7342 14.3166 14.3166 14.3220 14.3220 14.3546 14.3546 16.6347 16.6347 17.2856 17.2856 k = 0.0217 0.0126 0.0089 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8715 1.8715 7.5937 7.5937 7.5985 7.5985 8.0771 8.0771 9.4444 9.4444 9.4475 9.4475 13.7266 13.7266 14.3029 14.3029 14.3246 14.3246 14.3616 14.3616 16.6056 16.6056 17.2529 17.2529 k = 0.0326 0.0188 0.0133 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8789 1.8789 7.5895 7.5895 7.6005 7.6005 8.0759 8.0759 9.4384 9.4384 9.4453 9.4453 13.7124 13.7124 14.2812 14.2812 14.3287 14.3287 14.3737 14.3737 16.5638 16.5638 17.2075 17.2075 k = 0.0435 0.0251 0.0177 ( 6399 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9263 -32.9263 -32.9263 -32.9263 1.8893 1.8893 7.5833 7.5833 7.6031 7.6031 8.0745 8.0745 9.4301 9.4301 9.4424 9.4424 13.6894 13.6894 14.2539 14.2539 14.3344 14.3344 14.3907 14.3907 16.5157 16.5157 17.1540 17.1540 k = 0.0543 0.0314 0.0222 ( 6411 PWs) bands (ev): -79.5435 -79.5435 -46.4185 -46.4185 -33.8982 -33.8982 -32.9264 -32.9264 -32.9263 -32.9263 1.9027 1.9027 7.5750 7.5750 7.6065 7.6065 8.0731 8.0731 9.4196 9.4196 9.4387 9.4387 13.6548 13.6548 14.2245 14.2245 14.3412 14.3412 14.4124 14.4124 16.4659 16.4659 17.0700 17.0700 k = 0.0652 0.0377 0.0266 ( 6426 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9264 -32.9264 -32.9263 -32.9263 1.9190 1.9190 7.5643 7.5643 7.6105 7.6105 8.0722 8.0722 9.4071 9.4071 9.4345 9.4345 13.6055 13.6055 14.1965 14.1965 14.3491 14.3491 14.4384 14.4384 16.4176 16.4176 16.9851 16.9851 k = 0.0761 0.0439 0.0311 ( 6426 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9265 -32.9265 -32.9263 -32.9263 1.9383 1.9383 7.5510 7.5510 7.6151 7.6151 8.0720 8.0720 9.3927 9.3927 9.4299 9.4299 13.5395 13.5395 14.1727 14.1727 14.3576 14.3576 14.4684 14.4684 16.3726 16.3726 16.9015 16.9015 k = 0.0870 0.0502 0.0355 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9265 -32.9265 -32.9264 -32.9264 1.9604 1.9604 7.5347 7.5347 7.6202 7.6202 8.0729 8.0729 9.3766 9.3766 9.4250 9.4250 13.4562 13.4562 14.1544 14.1544 14.3664 14.3664 14.5020 14.5020 16.3319 16.3319 16.8209 16.8209 k = 0.0978 0.0565 0.0399 ( 6432 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9266 -32.9266 -32.9264 -32.9264 1.9855 1.9855 7.5154 7.5154 7.6259 7.6259 8.0751 8.0751 9.3590 9.3590 9.4199 9.4199 13.3566 13.3566 14.1413 14.1413 14.3749 14.3749 14.5387 14.5387 16.2955 16.2955 16.7448 16.7448 k = 0.1087 0.0628 0.0444 ( 6432 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9267 -32.9267 -32.9264 -32.9264 2.0135 2.0135 7.4928 7.4928 7.6319 7.6319 8.0789 8.0789 9.3402 9.3402 9.4149 9.4149 13.2428 13.2428 14.1321 14.1321 14.3827 14.3827 14.5782 14.5782 16.2629 16.2629 16.6747 16.6747 k = 0.1196 0.0690 0.0488 ( 6420 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9267 -32.9267 -32.9264 -32.9264 2.0443 2.0443 7.4670 7.4670 7.6382 7.6382 8.0844 8.0844 9.3203 9.3203 9.4101 9.4101 13.1172 13.1172 14.1250 14.1250 14.3893 14.3893 14.6199 14.6199 16.2331 16.2331 16.6125 16.6125 k = 0.1304 0.0753 0.0532 ( 6423 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8982 -33.8982 -32.9268 -32.9268 -32.9264 -32.9264 2.0779 2.0779 7.4379 7.4379 7.6447 7.6447 8.0915 8.0915 9.2997 9.2997 9.4058 9.4058 12.9822 12.9822 14.1181 14.1181 14.3940 14.3940 14.6634 14.6634 16.2050 16.2050 16.5600 16.5600 k = 0.1413 0.0816 0.0577 ( 6423 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8983 -33.8983 -32.9269 -32.9269 -32.9265 -32.9265 2.1143 2.1143 7.4057 7.4057 7.6513 7.6513 8.1003 8.1003 9.2785 9.2785 9.4021 9.4021 12.8398 12.8398 14.1098 14.1098 14.3962 14.3962 14.7080 14.7080 16.1773 16.1773 16.5190 16.5190 k = 0.1522 0.0879 0.0621 ( 6429 PWs) bands (ev): -79.5435 -79.5435 -46.4186 -46.4186 -33.8983 -33.8983 -32.9270 -32.9270 -32.9265 -32.9265 2.1535 2.1535 7.3705 7.3705 7.6579 7.6579 8.1107 8.1107 9.2570 9.2570 9.3992 9.3992 12.6918 12.6918 14.0985 14.0985 14.3951 14.3951 14.7533 14.7533 16.1495 16.1495 16.4547 16.4547 k = 0.1630 0.0941 0.0666 ( 6429 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9271 -32.9271 -32.9265 -32.9265 2.1955 2.1955 7.3324 7.3324 7.6644 7.6644 8.1225 8.1225 9.2356 9.2356 9.3974 9.3974 12.5397 12.5397 14.0830 14.0830 14.3901 14.3901 14.7987 14.7987 16.1220 16.1220 16.3865 16.3865 k = 0.1739 0.1004 0.0710 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9272 -32.9272 -32.9265 -32.9265 2.2400 2.2400 7.2916 7.2916 7.6708 7.6708 8.1354 8.1354 9.2145 9.2145 9.3969 9.3969 12.3849 12.3849 14.0622 14.0622 14.3805 14.3805 14.8437 14.8437 16.0959 16.0959 16.3218 16.3218 k = 0.1848 0.1067 0.0754 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9273 -32.9273 -32.9266 -32.9266 2.2873 2.2873 7.2484 7.2484 7.6768 7.6768 8.1493 8.1493 9.1940 9.1940 9.3977 9.3977 12.2284 12.2284 14.0354 14.0354 14.3658 14.3658 14.8879 14.8879 16.0727 16.0727 16.2614 16.2614 k = 0.1957 0.1130 0.0799 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9274 -32.9274 -32.9266 -32.9266 2.3371 2.3371 7.2028 7.2028 7.6824 7.6824 8.1638 8.1638 9.1744 9.1744 9.4002 9.4002 12.0712 12.0712 14.0020 14.0020 14.3453 14.3453 14.9308 14.9308 16.0537 16.0537 16.2060 16.2060 k = 0.2065 0.1192 0.0843 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8983 -33.8983 -32.9275 -32.9275 -32.9266 -32.9266 2.3894 2.3894 7.1551 7.1551 7.6876 7.6876 8.1787 8.1787 9.1560 9.1560 9.4044 9.4044 11.9143 11.9143 13.9619 13.9619 14.3188 14.3188 14.9720 14.9720 16.0398 16.0398 16.1559 16.1559 k = 0.2174 0.1255 0.0887 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4187 -46.4187 -33.8984 -33.8984 -32.9276 -32.9276 -32.9267 -32.9267 2.4441 2.4441 7.1055 7.1055 7.6922 7.6922 8.1936 8.1936 9.1391 9.1391 9.4105 9.4105 11.7584 11.7584 13.9152 13.9152 14.2859 14.2859 15.0112 15.0112 16.0315 16.0315 16.1115 16.1115 k = 0.2283 0.1318 0.0932 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8984 -33.8984 -32.9277 -32.9277 -32.9267 -32.9267 2.5012 2.5012 7.0541 7.0541 7.6962 7.6962 8.2082 8.2082 9.1239 9.1239 9.4185 9.4185 11.6042 11.6042 13.8622 13.8622 14.2467 14.2467 15.0483 15.0483 16.0287 16.0287 16.0730 16.0730 k = 0.2391 0.1381 0.0976 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8984 -33.8984 -32.9278 -32.9278 -32.9267 -32.9267 2.5606 2.5606 7.0010 7.0010 7.6995 7.6995 8.2222 8.2222 9.1107 9.1107 9.4286 9.4286 11.4524 11.4524 13.8035 13.8035 14.2014 14.2014 15.0829 15.0829 16.0313 16.0313 16.0403 16.0403 k = 0.2500 0.1443 0.1021 ( 6432 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8984 -33.8984 -32.9279 -32.9279 -32.9268 -32.9268 2.6223 2.6223 6.9463 6.9463 7.7021 7.7021 8.2352 8.2352 9.0998 9.0998 9.4408 9.4408 11.3037 11.3037 13.7397 13.7397 14.1503 14.1503 15.1151 15.1151 16.0130 16.0130 16.0386 16.0386 k = 0.2609 0.1506 0.1065 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8984 -33.8984 -32.9280 -32.9280 -32.9268 -32.9268 2.6860 2.6860 6.8901 6.8901 7.7040 7.7040 8.2470 8.2470 9.0912 9.0912 9.4551 9.4551 11.1587 11.1587 13.6716 13.6716 14.0940 14.0940 15.1447 15.1447 15.9910 15.9910 16.0502 16.0502 k = 0.2717 0.1569 0.1109 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8984 -33.8984 -32.9282 -32.9282 -32.9268 -32.9268 2.7516 2.7516 6.8325 6.8325 7.7052 7.7052 8.2573 8.2573 9.0852 9.0852 9.4714 9.4714 11.0180 11.0180 13.6000 13.6000 14.0332 14.0332 15.1718 15.1718 15.9736 15.9736 16.0653 16.0653 k = 0.2826 0.1632 0.1154 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4188 -46.4188 -33.8984 -33.8984 -32.9283 -32.9283 -32.9269 -32.9269 2.8192 2.8192 6.7736 6.7736 7.7056 7.7056 8.2658 8.2658 9.0815 9.0815 9.4898 9.4898 10.8823 10.8823 13.5256 13.5256 13.9685 13.9685 15.1966 15.1966 15.9603 15.9603 16.0832 16.0832 k = 0.2935 0.1694 0.1198 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9284 -32.9284 -32.9269 -32.9269 2.8884 2.8884 6.7135 6.7135 7.7054 7.7054 8.2725 8.2725 9.0802 9.0802 9.5101 9.5101 10.7521 10.7521 13.4492 13.4492 13.9007 13.9007 15.2190 15.2190 15.9506 15.9506 16.1033 16.1033 k = 0.3043 0.1757 0.1242 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8984 -33.8984 -32.9285 -32.9285 -32.9269 -32.9269 2.9591 2.9591 6.6523 6.6523 7.7046 7.7046 8.2773 8.2773 9.0808 9.0808 9.5322 9.5322 10.6281 10.6281 13.3716 13.3716 13.8307 13.8307 15.2393 15.2393 15.9439 15.9439 16.1250 16.1250 k = 0.3152 0.1820 0.1287 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8985 -33.8985 -32.9286 -32.9286 -32.9269 -32.9269 3.0312 3.0312 6.5900 6.5900 7.7032 7.7032 8.2803 8.2803 9.0831 9.0831 9.5559 9.5559 10.5110 10.5110 13.2934 13.2934 13.7592 13.7592 15.2576 15.2576 15.9397 15.9397 16.1476 16.1476 k = 0.3261 0.1883 0.1331 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8985 -33.8985 -32.9287 -32.9287 -32.9270 -32.9270 3.1044 3.1044 6.5267 6.5267 7.7013 7.7013 8.2815 8.2815 9.0862 9.0862 9.5810 9.5810 10.4016 10.4016 13.2152 13.2152 13.6869 13.6869 15.2741 15.2741 15.9375 15.9375 16.1708 16.1708 k = 0.3370 0.1945 0.1376 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8985 -33.8985 -32.9288 -32.9288 -32.9270 -32.9270 3.1785 3.1785 6.4626 6.4626 7.6990 7.6990 8.2810 8.2810 9.0896 9.0896 9.6074 9.6074 10.3006 10.3006 13.1377 13.1377 13.6146 13.6146 15.2888 15.2888 15.9370 15.9370 16.1939 16.1939 k = 0.3478 0.2008 0.1420 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8985 -33.8985 -32.9289 -32.9289 -32.9270 -32.9270 3.2532 3.2532 6.3979 6.3979 7.6963 7.6963 8.2792 8.2792 9.0922 9.0922 9.6346 9.6346 10.2089 10.2089 13.0615 13.0615 13.5429 13.5429 15.3021 15.3021 15.9377 15.9377 16.2168 16.2168 k = 0.3587 0.2071 0.1464 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4189 -46.4189 -33.8985 -33.8985 -32.9290 -32.9290 -32.9271 -32.9271 3.3280 3.3280 6.3328 6.3328 7.6933 7.6933 8.2763 8.2763 9.0933 9.0933 9.6624 9.6624 10.1271 10.1271 12.9871 12.9871 13.4725 13.4725 15.3139 15.3139 15.9393 15.9393 16.2389 16.2389 k = 0.3696 0.2134 0.1509 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9291 -32.9291 -32.9271 -32.9271 3.4028 3.4028 6.2675 6.2675 7.6902 7.6902 8.2725 8.2725 9.0920 9.0920 9.6906 9.6906 10.0559 10.0559 12.9152 12.9152 13.4041 13.4041 15.3244 15.3244 15.9416 15.9416 16.2601 16.2601 k = 0.3804 0.2196 0.1553 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9291 -32.9291 -32.9271 -32.9271 3.4768 3.4768 6.2024 6.2024 7.6870 7.6870 8.2680 8.2680 9.0875 9.0875 9.7186 9.7186 9.9957 9.9957 12.8462 12.8462 13.3382 13.3382 15.3338 15.3338 15.9443 15.9443 16.2802 16.2802 k = 0.3913 0.2259 0.1597 ( 6453 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9292 -32.9292 -32.9271 -32.9271 3.5497 3.5497 6.1379 6.1379 7.6837 7.6837 8.2631 8.2631 9.0795 9.0795 9.7462 9.7462 9.9467 9.9467 12.7807 12.7807 13.2756 13.2756 15.3421 15.3421 15.9473 15.9473 16.2989 16.2989 k = 0.4022 0.2322 0.1642 ( 6462 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9293 -32.9293 -32.9271 -32.9271 3.6207 3.6207 6.0747 6.0747 7.6806 7.6806 8.2580 8.2580 9.0680 9.0680 9.7730 9.7730 9.9084 9.9084 12.7192 12.7192 13.2166 13.2166 15.3494 15.3494 15.9503 15.9503 16.3162 16.3162 k = 0.4130 0.2385 0.1686 ( 6462 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9294 -32.9294 -32.9272 -32.9272 3.6892 3.6892 6.0134 6.0134 7.6775 7.6775 8.2529 8.2529 9.0535 9.0535 9.7985 9.7985 9.8800 9.8800 12.6624 12.6624 13.1620 13.1620 15.3557 15.3557 15.9534 15.9534 16.3318 16.3318 k = 0.4239 0.2447 0.1731 ( 6445 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9294 -32.9294 -32.9272 -32.9272 3.7540 3.7540 5.9549 5.9549 7.6746 7.6746 8.2480 8.2480 9.0370 9.0370 9.8223 9.8223 9.8599 9.8599 12.6106 12.6106 13.1122 13.1122 15.3612 15.3612 15.9562 15.9562 16.3458 16.3458 k = 0.4348 0.2510 0.1775 ( 6445 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9295 -32.9295 -32.9272 -32.9272 3.8143 3.8143 5.9003 5.9003 7.6721 7.6721 8.2434 8.2434 9.0196 9.0196 9.8440 9.8440 9.8468 9.8468 12.5645 12.5645 13.0678 13.0678 15.3659 15.3659 15.9589 15.9589 16.3579 16.3579 k = 0.4457 0.2573 0.1819 ( 6454 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9295 -32.9295 -32.9272 -32.9272 3.8688 3.8688 5.8506 5.8506 7.6698 7.6698 8.2394 8.2394 9.0026 9.0026 9.8389 9.8389 9.8632 9.8632 12.5244 12.5244 13.0293 13.0293 15.3698 15.3698 15.9612 15.9612 16.3683 16.3683 k = 0.4565 0.2636 0.1864 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9295 -32.9295 -32.9272 -32.9272 3.9161 3.9161 5.8071 5.8071 7.6678 7.6678 8.2359 8.2359 8.9871 8.9871 9.8346 9.8346 9.8795 9.8795 12.4910 12.4910 12.9971 12.9971 15.3730 15.3730 15.9632 15.9632 16.3769 16.3769 k = 0.4674 0.2698 0.1908 ( 6445 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 3.9549 3.9549 5.7714 5.7714 7.6663 7.6663 8.2331 8.2331 8.9741 8.9741 9.8328 9.8328 9.8926 9.8926 12.4645 12.4645 12.9717 12.9717 15.3754 15.3754 15.9648 15.9648 16.3835 16.3835 k = 0.4783 0.2761 0.1952 ( 6454 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 3.9838 3.9838 5.7446 5.7446 7.6652 7.6652 8.2310 8.2310 8.9642 8.9642 9.8322 9.8322 9.9021 9.9021 12.4453 12.4453 12.9532 12.9532 15.3771 15.3771 15.9660 15.9660 16.3883 16.3883 k = 0.4891 0.2824 0.1997 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0017 4.0017 5.7281 5.7281 7.6645 7.6645 8.2298 8.2298 8.9581 8.9581 9.8321 9.8321 9.9080 9.9080 12.4337 12.4337 12.9421 12.9421 15.3781 15.3781 15.9667 15.9667 16.3912 16.3912 k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0078 4.0078 5.7225 5.7225 7.6643 7.6643 8.2293 8.2293 8.9561 8.9561 9.8322 9.8322 9.9099 9.9099 12.4298 12.4298 12.9383 12.9383 15.3785 15.3785 15.9669 15.9669 16.3921 16.3921 k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0078 4.0078 5.7225 5.7225 7.6643 7.6643 8.2293 8.2293 8.9561 8.9561 9.8322 9.8322 9.9099 9.9099 12.4298 12.4298 12.9383 12.9383 15.3785 15.3785 15.9669 15.9669 16.3921 16.3921 k = 0.5038 0.2777 0.2103 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0094 4.0094 5.7228 5.7228 7.6643 7.6643 8.2292 8.2292 8.9553 8.9553 9.8309 9.8309 9.9093 9.9093 12.4259 12.4259 12.9339 12.9339 15.3781 15.3781 15.9734 15.9734 16.3969 16.3969 k = 0.5076 0.2668 0.2165 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0145 4.0145 5.7236 5.7236 7.6644 7.6644 8.2287 8.2287 8.9528 8.9528 9.8271 9.8271 9.9075 9.9075 12.4142 12.4142 12.9207 12.9207 15.3773 15.3773 15.9925 15.9925 16.4110 16.4110 k = 0.5114 0.2559 0.2227 ( 6448 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0228 4.0228 5.7251 5.7251 7.6645 7.6645 8.2280 8.2280 8.9486 8.9486 9.8207 9.8207 9.9048 9.9048 12.3948 12.3948 12.8995 12.8995 15.3767 15.3767 16.0229 16.0229 16.4340 16.4340 k = 0.5152 0.2449 0.2289 ( 6444 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0345 4.0345 5.7271 5.7271 7.6645 7.6645 8.2271 8.2271 8.9426 8.9426 9.8113 9.8113 9.9014 9.9014 12.3676 12.3676 12.8712 12.8712 15.3772 15.3772 16.0629 16.0629 16.4654 16.4654 k = 0.5189 0.2340 0.2351 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0495 4.0495 5.7297 5.7297 7.6642 7.6642 8.2263 8.2263 8.9347 8.9347 9.7990 9.7990 9.8978 9.8978 12.3329 12.3329 12.8370 12.8370 15.3796 15.3796 16.1109 16.1109 16.5043 16.5043 k = 0.5227 0.2231 0.2412 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9273 -32.9273 4.0679 4.0679 5.7329 5.7329 7.6635 7.6635 8.2256 8.2256 8.9248 8.9248 9.7836 9.7836 9.8943 9.8943 12.2908 12.2908 12.7981 12.7981 15.3844 15.3844 16.1655 16.1655 16.5495 16.5495 k = 0.5265 0.2121 0.2474 ( 6445 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.0895 4.0895 5.7366 5.7366 7.6620 7.6620 8.2253 8.2253 8.9125 8.9125 9.7653 9.7653 9.8910 9.8910 12.2418 12.2418 12.7556 12.7556 15.3920 15.3920 16.2255 16.2255 16.6001 16.6001 k = 0.5303 0.2012 0.2536 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.1144 4.1144 5.7409 5.7409 7.6595 7.6595 8.2256 8.2256 8.8979 8.8979 9.7444 9.7444 9.8882 9.8882 12.1865 12.1865 12.7104 12.7104 15.4022 15.4022 16.2902 16.2902 16.6549 16.6549 k = 0.5341 0.1903 0.2598 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9296 -32.9296 -32.9275 -32.9275 4.1426 4.1426 5.7457 5.7457 7.6558 7.6558 8.2266 8.2266 8.8806 8.8806 9.7212 9.7212 9.8858 9.8858 12.1256 12.1256 12.6633 12.6633 15.4151 15.4151 16.3590 16.3590 16.7131 16.7131 k = 0.5379 0.1793 0.2660 ( 6439 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9297 -32.9297 -32.9275 -32.9275 4.1740 4.1740 5.7510 5.7510 7.6504 7.6504 8.2287 8.2287 8.8605 8.8605 9.6960 9.6960 9.8840 9.8840 12.0602 12.0602 12.6148 12.6148 15.4302 15.4302 16.4315 16.4315 16.7740 16.7740 k = 0.5417 0.1684 0.2722 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9276 -32.9276 4.2086 4.2086 5.7569 5.7569 7.6429 7.6429 8.2320 8.2320 8.8377 8.8377 9.6694 9.6694 9.8829 9.8829 11.9910 11.9910 12.5650 12.5650 15.4473 15.4473 16.5075 16.5075 16.8371 16.8371 k = 0.5455 0.1575 0.2784 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9277 -32.9277 4.2464 4.2464 5.7632 5.7632 7.6331 7.6331 8.2366 8.2366 8.8120 8.8120 9.6418 9.6418 9.8826 9.8826 11.9190 11.9190 12.5144 12.5144 15.4659 15.4659 16.5866 16.5866 16.9023 16.9023 k = 0.5492 0.1465 0.2845 ( 6432 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9277 -32.9277 4.2874 4.2874 5.7700 5.7700 7.6206 7.6206 8.2425 8.2425 8.7838 8.7838 9.6135 9.6135 9.8831 9.8831 11.8452 11.8452 12.4628 12.4628 15.4856 15.4856 16.6686 16.6686 16.9693 16.9693 k = 0.5530 0.1356 0.2907 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9278 -32.9278 4.3314 4.3314 5.7772 5.7772 7.6049 7.6049 8.2495 8.2495 8.7534 8.7534 9.5851 9.5851 9.8845 9.8845 11.7702 11.7702 12.4105 12.4105 15.5060 15.5060 16.7532 16.7532 17.0380 17.0380 k = 0.5568 0.1247 0.2969 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9279 -32.9279 4.3785 4.3785 5.7849 5.7849 7.5858 7.5858 8.2573 8.2573 8.7215 8.7215 9.5568 9.5568 9.8869 9.8869 11.6949 11.6949 12.3573 12.3573 15.5268 15.5268 16.8399 16.8399 17.1080 17.1080 k = 0.5606 0.1137 0.3031 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9279 -32.9279 4.4286 4.4286 5.7928 5.7928 7.5629 7.5629 8.2651 8.2651 8.6893 8.6893 9.5288 9.5288 9.8902 9.8902 11.6197 11.6197 12.3034 12.3034 15.5476 15.5476 16.9282 16.9282 17.1788 17.1788 k = 0.5644 0.1028 0.3093 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9280 -32.9280 4.4816 4.4816 5.8011 5.8011 7.5359 7.5359 8.2721 8.2721 8.6584 8.6584 9.5015 9.5015 9.8946 9.8946 11.5451 11.5451 12.2488 12.2488 15.5681 15.5681 17.0178 17.0178 17.2489 17.2489 k = 0.5682 0.0919 0.3155 ( 6443 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9281 -32.9281 4.5376 4.5376 5.8096 5.8096 7.5044 7.5044 8.2767 8.2767 8.6310 8.6310 9.4748 9.4748 9.8999 9.8999 11.4716 11.4716 12.1936 12.1936 15.5881 15.5881 17.1077 17.1077 17.3160 17.3160 k = 0.5720 0.0809 0.3217 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9281 -32.9281 4.5962 4.5962 5.8182 5.8182 7.4682 7.4682 8.2771 8.2771 8.6096 8.6096 9.4490 9.4490 9.9061 9.9061 11.3995 11.3995 12.1378 12.1378 15.6072 15.6072 17.1972 17.1972 17.3767 17.3767 k = 0.5758 0.0700 0.3278 ( 6448 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9282 -32.9282 4.6576 4.6576 5.8268 5.8268 7.4270 7.4270 8.2718 8.2718 8.5965 8.5965 9.4241 9.4241 9.9131 9.9131 11.3290 11.3290 12.0814 12.0814 15.6254 15.6254 17.2839 17.2839 17.4262 17.4262 k = 0.5795 0.0590 0.3340 ( 6444 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9300 -32.9300 -32.9283 -32.9283 4.7216 4.7216 5.8354 5.8354 7.3807 7.3807 8.2601 8.2601 8.5932 8.5932 9.4000 9.4000 9.9208 9.9208 11.2605 11.2605 12.0246 12.0246 15.6426 15.6426 17.3605 17.3605 17.4647 17.4647 k = 0.5833 0.0481 0.3402 ( 6440 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9300 -32.9300 -32.9283 -32.9283 4.7881 4.7881 5.8437 5.8437 7.3292 7.3292 8.2430 8.2430 8.5995 8.5995 9.3769 9.3769 9.9288 9.9288 11.1942 11.1942 11.9675 11.9675 15.6585 15.6585 17.4017 17.4017 17.5135 17.5135 k = 0.5871 0.0372 0.3464 ( 6443 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9300 -32.9300 -32.9284 -32.9284 4.8569 4.8569 5.8515 5.8515 7.2728 7.2728 8.2225 8.2225 8.6140 8.6140 9.3548 9.3548 9.9371 9.9371 11.1304 11.1304 11.9101 11.9101 15.6731 15.6731 17.3951 17.3951 17.5871 17.5871 k = 0.5909 0.0262 0.3526 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9301 -32.9301 -32.9284 -32.9284 4.9278 4.9278 5.8585 5.8585 7.2119 7.2119 8.2006 8.2006 8.6347 8.6347 9.3336 9.3336 9.9451 9.9451 11.0695 11.0695 11.8525 11.8525 15.6864 15.6864 17.3629 17.3629 17.6688 17.6688 k = 0.5947 0.0153 0.3588 ( 6455 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9301 -32.9301 -32.9285 -32.9285 5.0007 5.0007 5.8644 5.8644 7.1471 7.1471 8.1793 8.1793 8.6601 8.6601 9.3137 9.3137 9.9525 9.9525 11.0118 11.0118 11.7950 11.7950 15.6984 15.6984 17.3183 17.3183 17.7510 17.7510 k = 0.5985 0.0044 0.3649 ( 6464 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9285 -32.9285 5.0753 5.0753 5.8686 5.8686 7.0796 7.0796 8.1599 8.1599 8.6886 8.6886 9.2951 9.2951 9.9588 9.9588 10.9578 10.9578 11.7375 11.7375 15.7091 15.7091 17.2674 17.2674 17.8312 17.8312 k = 0.6023-0.0066 0.3711 ( 6456 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9286 -32.9286 5.1513 5.1513 5.8707 5.8707 7.0105 7.0105 8.1433 8.1433 8.7190 8.7190 9.2782 9.2782 9.9635 9.9635 10.9081 10.9081 11.6803 11.6803 15.7184 15.7184 17.2136 17.2136 17.9080 17.9080 k = 0.6061-0.0175 0.3773 ( 6464 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9303 -32.9303 -32.9286 -32.9286 5.2282 5.2282 5.8698 5.8698 6.9415 6.9415 8.1299 8.1299 8.7503 8.7503 9.2634 9.2634 9.9658 9.9658 10.8633 10.8633 11.6235 11.6235 15.7264 15.7264 17.1588 17.1588 17.9805 17.9805 k = 0.6098-0.0284 0.3835 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9303 -32.9303 -32.9286 -32.9286 5.3054 5.3054 5.8650 5.8650 6.8745 6.8745 8.1201 8.1201 8.7813 8.7813 9.2513 9.2513 9.9652 9.9652 10.8240 10.8240 11.5672 11.5672 15.7330 15.7330 17.1041 17.1041 18.0479 18.0479 k = 0.6136-0.0394 0.3897 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9303 -32.9303 -32.9286 -32.9286 5.3821 5.3821 5.8554 5.8554 6.8116 6.8116 8.1142 8.1142 8.8108 8.8108 9.2425 9.2425 9.9610 9.9610 10.7910 10.7910 11.5118 11.5118 15.7384 15.7384 17.0503 17.0503 18.1095 18.1095 k = 0.6174-0.0503 0.3959 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9286 -32.9286 5.4567 5.4567 5.8407 5.8407 6.7553 6.7553 8.1121 8.1121 8.8373 8.8373 9.2381 9.2381 9.9527 9.9527 10.7647 10.7647 11.4573 11.4573 15.7426 15.7426 16.9979 16.9979 18.1650 18.1650 k = 0.6212-0.0612 0.4021 ( 6473 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.5258 5.5258 5.8221 5.8221 6.7079 6.7079 8.1141 8.1141 8.8595 8.8595 9.2390 9.2390 9.9404 9.9404 10.7455 10.7455 11.4040 11.4040 15.7455 15.7455 16.9469 16.9469 18.2142 18.2142 k = 0.6250-0.0722 0.4082 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5810 5.5810 5.8061 5.8061 6.6716 6.6716 8.1201 8.1201 8.8762 8.8762 9.2458 9.2458 9.9240 9.9240 10.7333 10.7333 11.3524 11.3524 15.7472 15.7472 16.8976 16.8976 18.2571 18.2571 k = 0.6250-0.0722 0.4082 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5810 5.5810 5.8061 5.8061 6.6716 6.6716 8.1201 8.1201 8.8762 8.8762 9.2458 9.2458 9.9240 9.9240 10.7333 10.7333 11.3524 11.3524 15.7472 15.7472 16.8976 16.8976 18.2571 18.2571 k = 0.6184-0.0684 0.4190 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5826 5.5826 5.8066 5.8066 6.6719 6.6719 8.1124 8.1124 8.8812 8.8812 9.2472 9.2472 9.9232 9.9232 10.7267 10.7267 11.3585 11.3585 15.7505 15.7505 16.8979 16.8979 18.2401 18.2401 k = 0.6118-0.0646 0.4297 ( 6481 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5874 5.5874 5.8081 5.8081 6.6725 6.6725 8.0900 8.0900 8.8954 8.8954 9.2514 9.2514 9.9209 9.9209 10.7079 10.7079 11.3760 11.3760 15.7605 15.7605 16.8988 16.8988 18.1929 18.1929 k = 0.6053-0.0608 0.4405 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5955 5.5955 5.8106 5.8106 6.6736 6.6736 8.0547 8.0547 8.9170 8.9170 9.2584 9.2584 9.9171 9.9171 10.6790 10.6790 11.4026 11.4026 15.7771 15.7771 16.9003 16.9003 18.1243 18.1243 k = 0.5987-0.0570 0.4512 ( 6478 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.6066 5.6066 5.8141 5.8141 6.6750 6.6750 8.0088 8.0088 8.9439 8.9439 9.2682 9.2682 9.9120 9.9120 10.6427 10.6427 11.4356 11.4356 15.8002 15.8002 16.9024 16.9024 18.0426 18.0426 k = 0.5921-0.0532 0.4620 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.6208 5.6208 5.8186 5.8186 6.6766 6.6766 7.9545 7.9545 8.9739 8.9739 9.2807 9.2807 9.9057 9.9057 10.6015 10.6015 11.4725 11.4725 15.8297 15.8297 16.9051 16.9051 17.9535 17.9535 k = 0.5855-0.0494 0.4727 ( 6473 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.6379 5.6379 5.8242 5.8242 6.6783 6.6783 7.8940 7.8940 9.0052 9.0052 9.2956 9.2956 9.8985 9.8985 10.5571 10.5571 11.5113 11.5113 15.8656 15.8656 16.9083 16.9083 17.8609 17.8609 k = 0.5789-0.0456 0.4835 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.6576 5.6576 5.8310 5.8310 6.6799 6.6799 7.8289 7.8289 9.0366 9.0366 9.3126 9.3126 9.8908 9.8908 10.5113 10.5113 11.5503 11.5503 15.9076 15.9076 16.9119 16.9119 17.7671 17.7671 k = 0.5724-0.0418 0.4942 ( 6471 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.6798 5.6798 5.8391 5.8391 6.6810 6.6810 7.7608 7.7608 9.0673 9.0673 9.3309 9.3309 9.8829 9.8829 10.4650 10.4650 11.5883 11.5883 15.9554 15.9554 16.9159 16.9159 17.6738 17.6738 k = 0.5658-0.0380 0.5049 ( 6477 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.7040 5.7040 5.8487 5.8487 6.6814 6.6814 7.6911 7.6911 9.0969 9.0969 9.3498 9.3498 9.8755 9.8755 10.4190 10.4190 11.6245 11.6245 16.0087 16.0087 16.9201 16.9201 17.5820 17.5820 k = 0.5592-0.0342 0.5157 ( 6477 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7297 5.7297 5.8600 5.8600 6.6805 6.6805 7.6211 7.6211 9.1252 9.1252 9.3680 9.3680 9.8693 9.8693 10.3741 10.3741 11.6581 11.6581 16.0669 16.0669 16.9243 16.9243 17.4927 17.4927 k = 0.5526-0.0304 0.5264 ( 6483 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7561 5.7561 5.8734 5.8734 6.6779 6.6779 7.5525 7.5525 9.1525 9.1525 9.3843 9.3843 9.8650 9.8650 10.3307 10.3307 11.6886 11.6886 16.1296 16.1296 16.9281 16.9281 17.4067 17.4067 k = 0.5461-0.0266 0.5372 ( 6487 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7822 5.7822 5.8893 5.8893 6.6727 6.6727 7.4867 7.4867 9.1787 9.1787 9.3974 9.3974 9.8634 9.8634 10.2893 10.2893 11.7157 11.7157 16.1960 16.1960 16.9308 16.9308 17.3250 17.3250 k = 0.5395-0.0228 0.5479 ( 6485 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8070 5.8070 5.9082 5.9082 6.6643 6.6643 7.4257 7.4257 9.2042 9.2042 9.4061 9.4061 9.8650 9.8650 10.2503 10.2503 11.7390 11.7390 16.2649 16.2649 16.9313 16.9313 17.2489 17.2489 k = 0.5329-0.0190 0.5587 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8296 5.8296 5.9297 5.9297 6.6522 6.6522 7.3713 7.3713 9.2290 9.2290 9.4097 9.4097 9.8698 9.8698 10.2143 10.2143 11.7586 11.7586 16.3353 16.3353 16.9277 16.9277 17.1810 17.1810 k = 0.5263-0.0152 0.5694 ( 6479 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8496 5.8496 5.9527 5.9527 6.6364 6.6364 7.3254 7.3254 9.2530 9.2530 9.4082 9.4082 9.8775 9.8775 10.1819 10.1819 11.7742 11.7742 16.4052 16.4052 16.9163 16.9163 17.1251 17.1251 k = 0.5197-0.0114 0.5801 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8670 5.8670 5.9749 5.9749 6.6179 6.6179 7.2895 7.2895 9.2761 9.2761 9.4021 9.4021 9.8867 9.8867 10.1541 10.1541 11.7861 11.7861 16.4722 16.4722 16.8940 16.8940 17.0856 17.0856 k = 0.5132-0.0076 0.5909 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8819 5.8819 5.9931 5.9931 6.5993 6.5993 7.2641 7.2641 9.2973 9.2973 9.3924 9.3924 9.8956 9.8956 10.1325 10.1325 11.7943 11.7943 16.5320 16.5320 16.8624 16.8624 17.0633 17.0633 k = 0.5066-0.0038 0.6016 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8934 5.8934 6.0043 6.0043 6.5847 6.5847 7.2494 7.2494 9.3147 9.3147 9.3817 9.3817 9.9020 9.9020 10.1188 10.1188 11.7990 11.7990 16.5768 16.5768 16.8326 16.8326 17.0533 17.0533 k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9289 -32.9289 5.8985 5.8985 6.0074 6.0074 6.5790 6.5790 7.2447 7.2447 9.3224 9.3224 9.3762 9.3762 9.9043 9.9043 10.1141 10.1141 11.8005 11.8005 16.5941 16.5941 16.8200 16.8200 17.0507 17.0507 k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9289 -32.9289 5.8985 5.8985 6.0074 6.0074 6.5790 6.5790 7.2447 7.2447 9.3224 9.3224 9.3762 9.3762 9.9043 9.9043 10.1141 10.1141 11.8005 11.8005 16.5941 16.5941 16.8200 16.8200 17.0507 17.0507 k = 0.5000 0.0078 0.6013 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8894 5.8894 5.9985 5.9985 6.5975 6.5975 7.2460 7.2460 9.3080 9.3080 9.3860 9.3860 9.9006 9.9006 10.1238 10.1238 11.8018 11.8018 16.5907 16.5907 16.8182 16.8182 17.0537 17.0537 k = 0.5000 0.0156 0.5903 ( 6474 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8586 5.8586 5.9805 5.9805 6.6480 6.6480 7.2498 7.2498 9.2777 9.2777 9.4026 9.4026 9.8916 9.8916 10.1506 10.1506 11.8058 11.8058 16.5806 16.5806 16.8126 16.8126 17.0631 17.0631 k = 0.5000 0.0234 0.5793 ( 6474 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.8042 5.8042 5.9657 5.9657 6.7200 6.7200 7.2561 7.2561 9.2407 9.2407 9.4180 9.4180 9.8807 9.8807 10.1904 10.1904 11.8124 11.8124 16.5644 16.5644 16.8029 16.8029 17.0790 17.0790 k = 0.5000 0.0312 0.5682 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.7332 5.7332 5.9553 5.9553 6.8051 6.8051 7.2649 7.2649 9.1994 9.1994 9.4306 9.4306 9.8701 9.8701 10.2396 10.2396 11.8216 11.8216 16.5424 16.5424 16.7891 16.7891 17.1017 17.1017 k = 0.5000 0.0390 0.5572 ( 6472 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9288 -32.9288 5.6535 5.6535 5.9468 5.9468 6.8979 6.8979 7.2762 7.2762 9.1551 9.1551 9.4407 9.4407 9.8612 9.8612 10.2958 10.2958 11.8333 11.8333 16.5150 16.5150 16.7720 16.7720 17.1307 17.1307 k = 0.5000 0.0468 0.5462 ( 6474 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9303 -32.9303 -32.9288 -32.9288 5.5696 5.5696 5.9388 5.9388 6.9949 6.9949 7.2900 7.2900 9.1089 9.1089 9.4486 9.4486 9.8540 9.8540 10.3574 10.3574 11.8477 11.8477 16.4825 16.4825 16.7527 16.7527 17.1657 17.1657 k = 0.5000 0.0546 0.5351 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9303 -32.9303 -32.9288 -32.9288 5.4839 5.4839 5.9307 5.9307 7.0938 7.0938 7.3067 7.3067 9.0616 9.0616 9.4549 9.4549 9.8486 9.8486 10.4232 10.4232 11.8645 11.8645 16.4450 16.4450 16.7325 16.7325 17.2061 17.2061 k = 0.5000 0.0624 0.5241 ( 6476 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9303 -32.9303 -32.9287 -32.9287 5.3978 5.3978 5.9223 5.9223 7.1912 7.1912 7.3280 7.3280 9.0139 9.0139 9.4599 9.4599 9.8448 9.8448 10.4925 10.4925 11.8838 11.8838 16.4027 16.4027 16.7123 16.7123 17.2514 17.2514 k = 0.5000 0.0702 0.5131 ( 6480 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9287 -32.9287 5.3124 5.3124 5.9135 5.9135 7.2780 7.2780 7.3618 7.3618 8.9666 8.9666 9.4641 9.4641 9.8423 9.8423 10.5647 10.5647 11.9055 11.9055 16.3560 16.3560 16.6928 16.6928 17.3011 17.3011 k = 0.5000 0.0780 0.5020 ( 6470 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9287 -32.9287 5.2282 5.2282 5.9043 5.9043 7.3317 7.3317 7.4296 7.4296 8.9202 8.9202 9.4679 9.4679 9.8409 9.8409 10.6393 10.6393 11.9296 11.9296 16.3057 16.3057 16.6745 16.6745 17.3550 17.3550 k = 0.5000 0.0858 0.4910 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9286 -32.9286 5.1456 5.1456 5.8948 5.8948 7.3617 7.3617 7.5208 7.5208 8.8754 8.8754 9.4715 9.4715 9.8404 9.8404 10.7158 10.7158 11.9559 11.9559 16.2522 16.2522 16.6573 16.6573 17.4126 17.4126 k = 0.5000 0.0936 0.4800 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9301 -32.9301 -32.9286 -32.9286 5.0650 5.0650 5.8850 5.8850 7.3863 7.3863 7.6161 7.6161 8.8326 8.8326 9.4753 9.4753 9.8406 9.8406 10.7941 10.7941 11.9845 11.9845 16.1964 16.1964 16.6413 16.6413 17.4736 17.4736 k = 0.5000 0.1014 0.4689 ( 6468 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8981 -33.8981 -32.9301 -32.9301 -32.9285 -32.9285 4.9865 4.9865 5.8750 5.8750 7.4099 7.4099 7.7102 7.7102 8.7926 8.7926 9.4796 9.4796 9.8414 9.8414 10.8739 10.8739 12.0152 12.0152 16.1390 16.1390 16.6263 16.6263 17.5375 17.5375 k = 0.5000 0.1092 0.4579 ( 6470 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8981 -33.8981 -32.9300 -32.9300 -32.9285 -32.9285 4.9103 4.9103 5.8649 5.8649 7.4331 7.4331 7.8010 7.8010 8.7561 8.7561 9.4846 9.4846 9.8427 9.8427 10.9550 10.9550 12.0479 12.0479 16.0806 16.0806 16.6120 16.6120 17.6039 17.6039 k = 0.5000 0.1170 0.4469 ( 6470 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9300 -32.9300 -32.9284 -32.9284 4.8367 4.8367 5.8548 5.8548 7.4561 7.4561 7.8869 7.8869 8.7239 8.7239 9.4906 9.4906 9.8444 9.8444 11.0373 11.0373 12.0826 12.0826 16.0217 16.0217 16.5983 16.5983 17.6720 17.6720 k = 0.5000 0.1248 0.4358 ( 6464 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9300 -32.9300 -32.9283 -32.9283 4.7658 4.7658 5.8448 5.8448 7.4788 7.4788 7.9663 7.9663 8.6971 8.6971 9.4978 9.4978 9.8463 9.8463 11.1206 11.1206 12.1191 12.1191 15.9631 15.9631 16.5848 16.5848 17.7409 17.7409 k = 0.5000 0.1326 0.4248 ( 6460 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9283 -32.9283 4.6975 4.6975 5.8348 5.8348 7.5009 7.5009 8.0375 8.0375 8.6771 8.6771 9.5066 9.5066 9.8486 9.8486 11.2047 11.2047 12.1574 12.1574 15.9052 15.9052 16.5714 16.5714 17.8089 17.8089 k = 0.5000 0.1404 0.4138 ( 6458 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9282 -32.9282 4.6322 4.6322 5.8250 5.8250 7.5224 7.5224 8.0985 8.0985 8.6654 8.6654 9.5170 9.5170 9.8510 9.8510 11.2896 11.2896 12.1972 12.1972 15.8484 15.8484 16.5578 16.5578 17.8733 17.8733 k = 0.5000 0.1482 0.4027 ( 6454 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9281 -32.9281 4.5698 4.5698 5.8155 5.8155 7.5429 7.5429 8.1476 8.1476 8.6634 8.6634 9.5293 9.5293 9.8537 9.8537 11.3750 11.3750 12.2386 12.2386 15.7933 15.7933 16.5436 16.5436 17.9001 17.9001 k = 0.5000 0.1560 0.3917 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9281 -32.9281 4.5104 4.5104 5.8062 5.8062 7.5623 7.5623 8.1839 8.1839 8.6715 8.6715 9.5437 9.5437 9.8565 9.8565 11.4606 11.4606 12.2812 12.2812 15.7402 15.7402 16.5286 16.5286 17.7674 17.7674 k = 0.5000 0.1638 0.3807 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9280 -32.9280 4.4541 4.4541 5.7973 5.7973 7.5802 7.5802 8.2079 8.2079 8.6891 8.6891 9.5602 9.5602 9.8594 9.8594 11.5463 11.5463 12.3251 12.3251 15.6896 15.6896 16.5123 16.5123 17.6223 17.6223 k = 0.5000 0.1716 0.3696 ( 6456 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9279 -32.9279 4.4009 4.4009 5.7887 5.7887 7.5965 7.5965 8.2217 8.2217 8.7137 8.7137 9.5789 9.5789 9.8624 9.8624 11.6317 11.6317 12.3701 12.3701 15.6418 15.6418 16.4943 16.4943 17.4812 17.4812 k = 0.5000 0.1794 0.3586 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9278 -32.9278 4.3509 4.3509 5.7806 5.7806 7.6111 7.6111 8.2284 8.2284 8.7423 8.7423 9.5995 9.5995 9.8655 9.8655 11.7162 11.7162 12.4161 12.4161 15.5972 15.5972 16.4741 16.4741 17.3456 17.3456 k = 0.5000 0.1872 0.3476 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9278 -32.9278 4.3042 4.3042 5.7729 5.7729 7.6237 7.6237 8.2304 8.2304 8.7723 8.7723 9.6218 9.6218 9.8687 9.8687 11.7995 11.7995 12.4628 12.4628 15.5561 15.5561 16.4511 16.4511 17.2165 17.2165 k = 0.5000 0.1951 0.3365 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9277 -32.9277 4.2608 4.2608 5.7657 5.7657 7.6345 7.6345 8.2300 8.2300 8.8015 8.8015 9.6454 9.6454 9.8719 9.8719 11.8809 11.8809 12.5102 12.5102 15.5189 15.5189 16.4246 16.4246 17.0946 17.0946 k = 0.5000 0.2029 0.3255 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9276 -32.9276 4.2207 4.2207 5.7590 5.7590 7.6432 7.6432 8.2286 8.2286 8.8288 8.8288 9.6697 9.6697 9.8753 9.8753 11.9595 11.9595 12.5580 12.5580 15.4858 15.4858 16.3939 16.3939 16.9809 16.9809 k = 0.5000 0.2107 0.3145 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9297 -32.9297 -32.9276 -32.9276 4.1840 4.1840 5.7528 5.7528 7.6502 7.6502 8.2270 8.2270 8.8534 8.8534 9.6942 9.6942 9.8787 9.8787 12.0347 12.0347 12.6061 12.6061 15.4572 15.4572 16.3582 16.3582 16.8765 16.8765 k = 0.5000 0.2185 0.3034 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9297 -32.9297 -32.9275 -32.9275 4.1507 4.1507 5.7471 5.7471 7.6555 7.6555 8.2258 8.2258 8.8751 8.8751 9.7183 9.7183 9.8822 9.8822 12.1054 12.1054 12.6540 12.6540 15.4330 15.4330 16.3171 16.3171 16.7824 16.7824 k = 0.5000 0.2263 0.2924 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.1209 4.1209 5.7420 5.7420 7.6592 7.6592 8.2251 8.2251 8.8938 8.8938 9.7411 9.7411 9.8857 9.8857 12.1707 12.1707 12.7013 12.7013 15.4134 15.4134 16.2708 16.2708 16.6991 16.6991 k = 0.5000 0.2341 0.2814 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.0944 4.0944 5.7375 5.7375 7.6618 7.6618 8.2250 8.2250 8.9096 8.9096 9.7623 9.7623 9.8895 9.8895 12.2299 12.2299 12.7473 12.7473 15.3984 15.3984 16.2203 16.2203 16.6269 16.6269 k = 0.5000 0.2419 0.2703 ( 6440 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.0715 4.0715 5.7335 5.7335 7.6633 7.6633 8.2254 8.2254 8.9227 8.9227 9.7810 9.7810 9.8933 9.8933 12.2821 12.2821 12.7911 12.7911 15.3877 15.3877 16.1676 16.1676 16.5651 16.5651 k = 0.5000 0.2497 0.2593 ( 6448 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9273 -32.9273 4.0521 4.0521 5.7302 5.7302 7.6642 7.6642 8.2261 8.2261 8.9334 8.9334 9.7971 9.7971 9.8971 9.8971 12.3269 12.3269 12.8316 12.8316 15.3810 15.3810 16.1156 16.1156 16.5131 16.5131 k = 0.5000 0.2575 0.2483 ( 6444 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0361 4.0361 5.7274 5.7274 7.6645 7.6645 8.2270 8.2270 8.9418 8.9418 9.8101 9.8101 9.9010 9.9010 12.3638 12.3638 12.8675 12.8675 15.3776 15.3776 16.0674 16.0674 16.4704 16.4704 k = 0.5000 0.2653 0.2372 ( 6446 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0237 4.0237 5.7252 5.7252 7.6645 7.6645 8.2279 8.2279 8.9482 8.9482 9.8200 9.8200 9.9045 9.9045 12.3927 12.3927 12.8973 12.8973 15.3767 15.3767 16.0259 16.0259 16.4366 16.4366 k = 0.5000 0.2731 0.2262 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0149 4.0149 5.7237 5.7237 7.6644 7.6644 8.2287 8.2287 8.9526 8.9526 9.8268 9.8268 9.9073 9.9073 12.4133 12.4133 12.9197 12.9197 15.3772 15.3772 15.9940 15.9940 16.4121 16.4121 k = 0.5000 0.2809 0.2152 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0095 4.0095 5.7228 5.7228 7.6643 7.6643 8.2292 8.2292 8.9552 8.9552 9.8309 9.8309 9.9092 9.9092 12.4257 12.4257 12.9336 12.9336 15.3781 15.3781 15.9738 15.9738 16.3972 16.3972 k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0078 4.0078 5.7225 5.7225 7.6643 7.6643 8.2293 8.2293 8.9561 8.9561 9.8322 9.8322 9.9099 9.9099 12.4298 12.4298 12.9383 12.9383 15.3785 15.3785 15.9669 15.9669 16.3921 16.3921 k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0078 4.0078 5.7225 5.7225 7.6643 7.6643 8.2293 8.2293 8.9561 8.9561 9.8322 9.8322 9.9099 9.9099 12.4298 12.4298 12.9383 12.9383 15.3785 15.3785 15.9669 15.9669 16.3921 16.3921 k = 0.4962 0.2865 0.2165 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0094 4.0094 5.7228 5.7228 7.6643 7.6643 8.2292 8.2292 8.9553 8.9553 9.8309 9.8309 9.9093 9.9093 12.4259 12.4259 12.9339 12.9339 15.3781 15.3781 15.9734 15.9734 16.3969 16.3969 k = 0.4924 0.2843 0.2289 ( 6450 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9272 -32.9272 4.0145 4.0145 5.7236 5.7236 7.6644 7.6644 8.2287 8.2287 8.9528 8.9528 9.8271 9.8271 9.9075 9.9075 12.4142 12.4142 12.9207 12.9207 15.3773 15.3773 15.9925 15.9925 16.4110 16.4110 k = 0.4886 0.2821 0.2412 ( 6448 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0228 4.0228 5.7251 5.7251 7.6645 7.6645 8.2280 8.2280 8.9486 8.9486 9.8207 9.8207 9.9048 9.9048 12.3948 12.3948 12.8995 12.8995 15.3767 15.3767 16.0229 16.0229 16.4340 16.4340 k = 0.4848 0.2799 0.2536 ( 6444 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0345 4.0345 5.7271 5.7271 7.6645 7.6645 8.2271 8.2271 8.9426 8.9426 9.8113 9.8113 9.9014 9.9014 12.3676 12.3676 12.8712 12.8712 15.3772 15.3772 16.0629 16.0629 16.4654 16.4654 k = 0.4811 0.2777 0.2660 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8986 -33.8986 -32.9296 -32.9296 -32.9273 -32.9273 4.0495 4.0495 5.7297 5.7297 7.6642 7.6642 8.2263 8.2263 8.9347 8.9347 9.7990 9.7990 9.8978 9.8978 12.3329 12.3329 12.8370 12.8370 15.3796 15.3796 16.1109 16.1109 16.5043 16.5043 k = 0.4773 0.2756 0.2784 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9273 -32.9273 4.0679 4.0679 5.7329 5.7329 7.6635 7.6635 8.2256 8.2256 8.9248 8.9248 9.7836 9.7836 9.8943 9.8943 12.2908 12.2908 12.7981 12.7981 15.3844 15.3844 16.1655 16.1655 16.5495 16.5495 k = 0.4735 0.2734 0.2907 ( 6445 PWs) bands (ev): -79.5435 -79.5435 -46.4190 -46.4190 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.0895 4.0895 5.7366 5.7366 7.6620 7.6620 8.2253 8.2253 8.9125 8.9125 9.7653 9.7653 9.8910 9.8910 12.2418 12.2418 12.7556 12.7556 15.3920 15.3920 16.2255 16.2255 16.6001 16.6001 k = 0.4697 0.2712 0.3031 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9296 -32.9296 -32.9274 -32.9274 4.1144 4.1144 5.7409 5.7409 7.6595 7.6595 8.2256 8.2256 8.8979 8.8979 9.7444 9.7444 9.8882 9.8882 12.1865 12.1865 12.7104 12.7104 15.4022 15.4022 16.2902 16.2902 16.6549 16.6549 k = 0.4659 0.2690 0.3155 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9297 -32.9297 -32.9275 -32.9275 4.1426 4.1426 5.7457 5.7457 7.6558 7.6558 8.2266 8.2266 8.8806 8.8806 9.7212 9.7212 9.8858 9.8858 12.1256 12.1256 12.6633 12.6633 15.4151 15.4151 16.3590 16.3590 16.7131 16.7131 k = 0.4621 0.2668 0.3278 ( 6439 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8985 -33.8985 -32.9297 -32.9297 -32.9275 -32.9275 4.1740 4.1740 5.7510 5.7510 7.6504 7.6504 8.2287 8.2287 8.8605 8.8605 9.6960 9.6960 9.8840 9.8840 12.0602 12.0602 12.6148 12.6148 15.4302 15.4302 16.4315 16.4315 16.7740 16.7740 k = 0.4583 0.2646 0.3402 ( 6435 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9276 -32.9276 4.2086 4.2086 5.7569 5.7569 7.6429 7.6429 8.2320 8.2320 8.8377 8.8377 9.6694 9.6694 9.8829 9.8829 11.9910 11.9910 12.5650 12.5650 15.4473 15.4473 16.5075 16.5075 16.8371 16.8371 k = 0.4545 0.2624 0.3526 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9277 -32.9277 4.2464 4.2464 5.7632 5.7632 7.6331 7.6331 8.2366 8.2366 8.8120 8.8120 9.6418 9.6418 9.8826 9.8826 11.9190 11.9190 12.5144 12.5144 15.4659 15.4659 16.5866 16.5866 16.9023 16.9023 k = 0.4508 0.2602 0.3649 ( 6432 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9277 -32.9277 4.2874 4.2874 5.7700 5.7700 7.6206 7.6206 8.2425 8.2425 8.7838 8.7838 9.6135 9.6135 9.8831 9.8831 11.8452 11.8452 12.4628 12.4628 15.4856 15.4856 16.6686 16.6686 16.9693 16.9693 k = 0.4470 0.2581 0.3773 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8984 -33.8984 -32.9297 -32.9297 -32.9278 -32.9278 4.3314 4.3314 5.7772 5.7772 7.6049 7.6049 8.2495 8.2495 8.7534 8.7534 9.5851 9.5851 9.8845 9.8845 11.7702 11.7702 12.4105 12.4105 15.5060 15.5060 16.7532 16.7532 17.0380 17.0380 k = 0.4432 0.2559 0.3897 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9279 -32.9279 4.3785 4.3785 5.7849 5.7849 7.5858 7.5858 8.2573 8.2573 8.7215 8.7215 9.5568 9.5568 9.8869 9.8869 11.6949 11.6949 12.3573 12.3573 15.5268 15.5268 16.8399 16.8399 17.1080 17.1080 k = 0.4394 0.2537 0.4021 ( 6438 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9279 -32.9279 4.4286 4.4286 5.7928 5.7928 7.5629 7.5629 8.2651 8.2651 8.6893 8.6893 9.5288 9.5288 9.8902 9.8902 11.6197 11.6197 12.3034 12.3034 15.5476 15.5476 16.9282 16.9282 17.1788 17.1788 k = 0.4356 0.2515 0.4144 ( 6442 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8983 -33.8983 -32.9298 -32.9298 -32.9280 -32.9280 4.4816 4.4816 5.8011 5.8011 7.5359 7.5359 8.2721 8.2721 8.6584 8.6584 9.5015 9.5015 9.8946 9.8946 11.5451 11.5451 12.2488 12.2488 15.5681 15.5681 17.0178 17.0178 17.2489 17.2489 k = 0.4318 0.2493 0.4268 ( 6443 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9281 -32.9281 4.5376 4.5376 5.8096 5.8096 7.5044 7.5044 8.2767 8.2767 8.6310 8.6310 9.4748 9.4748 9.8999 9.8999 11.4716 11.4716 12.1936 12.1936 15.5881 15.5881 17.1077 17.1077 17.3160 17.3160 k = 0.4280 0.2471 0.4392 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9281 -32.9281 4.5963 4.5963 5.8182 5.8182 7.4682 7.4682 8.2771 8.2771 8.6096 8.6096 9.4490 9.4490 9.9061 9.9061 11.3995 11.3995 12.1378 12.1378 15.6072 15.6072 17.1972 17.1972 17.3767 17.3767 k = 0.4242 0.2449 0.4515 ( 6448 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9299 -32.9299 -32.9282 -32.9282 4.6576 4.6576 5.8268 5.8268 7.4270 7.4270 8.2718 8.2718 8.5965 8.5965 9.4241 9.4241 9.9131 9.9131 11.3290 11.3290 12.0814 12.0814 15.6254 15.6254 17.2839 17.2839 17.4262 17.4262 k = 0.4205 0.2427 0.4639 ( 6444 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8982 -33.8982 -32.9300 -32.9300 -32.9283 -32.9283 4.7216 4.7216 5.8354 5.8354 7.3807 7.3807 8.2601 8.2601 8.5932 8.5932 9.4000 9.4000 9.9208 9.9208 11.2605 11.2605 12.0246 12.0246 15.6426 15.6426 17.3605 17.3605 17.4647 17.4647 k = 0.4167 0.2406 0.4763 ( 6440 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9300 -32.9300 -32.9283 -32.9283 4.7881 4.7881 5.8437 5.8437 7.3292 7.3292 8.2430 8.2430 8.5995 8.5995 9.3769 9.3769 9.9288 9.9288 11.1942 11.1942 11.9675 11.9675 15.6585 15.6585 17.4017 17.4017 17.5135 17.5135 k = 0.4129 0.2384 0.4887 ( 6443 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9300 -32.9300 -32.9284 -32.9284 4.8569 4.8569 5.8515 5.8515 7.2728 7.2728 8.2225 8.2225 8.6140 8.6140 9.3548 9.3548 9.9371 9.9371 11.1304 11.1304 11.9101 11.9101 15.6731 15.6731 17.3951 17.3951 17.5871 17.5871 k = 0.4091 0.2362 0.5010 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4191 -46.4191 -33.8981 -33.8981 -32.9301 -32.9301 -32.9284 -32.9284 4.9278 4.9278 5.8585 5.8585 7.2119 7.2119 8.2006 8.2006 8.6347 8.6347 9.3337 9.3337 9.9451 9.9451 11.0695 11.0695 11.8525 11.8525 15.6864 15.6864 17.3629 17.3629 17.6688 17.6688 k = 0.4053 0.2340 0.5134 ( 6455 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9301 -32.9301 -32.9285 -32.9285 5.0007 5.0007 5.8644 5.8644 7.1471 7.1471 8.1793 8.1793 8.6601 8.6601 9.3137 9.3137 9.9525 9.9525 11.0118 11.0118 11.7950 11.7950 15.6984 15.6984 17.3183 17.3183 17.7510 17.7510 k = 0.4015 0.2318 0.5258 ( 6464 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9285 -32.9285 5.0753 5.0753 5.8686 5.8686 7.0796 7.0796 8.1599 8.1599 8.6886 8.6886 9.2952 9.2952 9.9588 9.9588 10.9578 10.9578 11.7375 11.7375 15.7091 15.7091 17.2674 17.2674 17.8312 17.8312 k = 0.3977 0.2296 0.5381 ( 6456 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9302 -32.9302 -32.9286 -32.9286 5.1513 5.1513 5.8707 5.8707 7.0105 7.0105 8.1433 8.1433 8.7190 8.7190 9.2783 9.2783 9.9635 9.9635 10.9081 10.9081 11.6803 11.6803 15.7184 15.7184 17.2136 17.2136 17.9080 17.9080 k = 0.3939 0.2274 0.5505 ( 6464 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9303 -32.9303 -32.9286 -32.9286 5.2282 5.2282 5.8698 5.8698 6.9415 6.9415 8.1299 8.1299 8.7503 8.7503 9.2634 9.2634 9.9658 9.9658 10.8633 10.8633 11.6235 11.6235 15.7264 15.7264 17.1588 17.1588 17.9805 17.9805 k = 0.3902 0.2253 0.5629 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8980 -33.8980 -32.9303 -32.9303 -32.9286 -32.9286 5.3054 5.3054 5.8650 5.8650 6.8745 6.8745 8.1201 8.1201 8.7813 8.7813 9.2513 9.2513 9.9652 9.9652 10.8240 10.8240 11.5672 11.5672 15.7330 15.7330 17.1041 17.1041 18.0479 18.0479 k = 0.3864 0.2231 0.5753 ( 6467 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9286 -32.9286 5.3821 5.3821 5.8554 5.8554 6.8116 6.8116 8.1142 8.1142 8.8108 8.8108 9.2425 9.2425 9.9610 9.9610 10.7910 10.7910 11.5118 11.5118 15.7384 15.7384 17.0503 17.0503 18.1095 18.1095 k = 0.3826 0.2209 0.5876 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9286 -32.9286 5.4567 5.4567 5.8407 5.8407 6.7553 6.7553 8.1121 8.1121 8.8373 8.8373 9.2381 9.2381 9.9527 9.9527 10.7647 10.7647 11.4573 11.4573 15.7426 15.7426 16.9979 16.9979 18.1650 18.1650 k = 0.3788 0.2187 0.6000 ( 6473 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9304 -32.9304 -32.9287 -32.9287 5.5258 5.5258 5.8221 5.8221 6.7079 6.7079 8.1141 8.1141 8.8595 8.8595 9.2390 9.2390 9.9404 9.9404 10.7455 10.7455 11.4040 11.4040 15.7455 15.7455 16.9469 16.9469 18.2142 18.2142 k = 0.3750 0.2165 0.6124 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5810 5.5810 5.8061 5.8061 6.6716 6.6716 8.1201 8.1201 8.8762 8.8762 9.2458 9.2458 9.9240 9.9240 10.7333 10.7333 11.3524 11.3524 15.7472 15.7472 16.8976 16.8976 18.2571 18.2571 k = 0.6250-0.0722 0.4082 ( 6459 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.5810 5.5810 5.8061 5.8061 6.6716 6.6716 8.1201 8.1201 8.8762 8.8762 9.2458 9.2458 9.9240 9.9240 10.7333 10.7333 11.3524 11.3524 15.7472 15.7472 16.8976 16.8976 18.2571 18.2571 k = 0.6184-0.0836 0.4082 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8979 -33.8979 -32.9305 -32.9305 -32.9287 -32.9287 5.6508 5.6508 5.7920 5.7920 6.6203 6.6203 8.1371 8.1371 8.9010 8.9010 9.2620 9.2620 9.8937 9.8937 10.7158 10.7158 11.2651 11.2651 15.7488 15.7488 16.8150 16.8150 18.3278 18.3278 k = 0.6118-0.0950 0.4082 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9306 -32.9306 -32.9287 -32.9287 5.7046 5.7046 5.7897 5.7897 6.5719 6.5719 8.1603 8.1603 8.9278 8.9278 9.2765 9.2765 9.8659 9.8659 10.6931 10.6931 11.1795 11.1795 15.7495 15.7495 16.7364 16.7364 18.4015 18.4015 k = 0.6053-0.1064 0.4082 ( 6483 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9306 -32.9306 -32.9287 -32.9287 5.7226 5.7226 5.8185 5.8185 6.5270 6.5270 8.1896 8.1896 8.9564 8.9564 9.2894 9.2894 9.8407 9.8407 10.6653 10.6653 11.0958 11.0958 15.7493 15.7493 16.6621 16.6621 18.4781 18.4781 k = 0.5987-0.1177 0.4082 ( 6487 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9307 -32.9307 -32.9287 -32.9287 5.7166 5.7166 5.8655 5.8655 6.4863 6.4863 8.2250 8.2250 8.9866 8.9866 9.3006 9.3006 9.8181 9.8181 10.6321 10.6321 11.0141 11.0141 15.7480 15.7480 16.5926 16.5926 18.5574 18.5574 k = 0.5921-0.1291 0.4082 ( 6473 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8978 -33.8978 -32.9307 -32.9307 -32.9287 -32.9287 5.7053 5.7053 5.9113 5.9113 6.4509 6.4509 8.2663 8.2663 9.0182 9.0182 9.3105 9.3105 9.7981 9.7981 10.5935 10.5935 10.9345 10.9345 15.7456 15.7456 16.5283 16.5283 18.6392 18.6392 k = 0.5855-0.1405 0.4082 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9307 -32.9307 -32.9287 -32.9287 5.6933 5.6933 5.9503 5.9503 6.4217 6.4217 8.3132 8.3132 9.0508 9.0508 9.3194 9.3194 9.7805 9.7805 10.5497 10.5497 10.8571 10.8571 15.7419 15.7419 16.4696 16.4696 18.7234 18.7234 k = 0.5789-0.1519 0.4082 ( 6469 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9308 -32.9308 -32.9286 -32.9286 5.6815 5.6815 5.9804 5.9804 6.3998 6.3998 8.3654 8.3654 9.0841 9.0841 9.3279 9.3279 9.7650 9.7650 10.5007 10.5007 10.7822 10.7822 15.7370 15.7370 16.4166 16.4166 18.8096 18.8096 k = 0.5724-0.1633 0.4082 ( 6477 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9308 -32.9308 -32.9286 -32.9286 5.6704 5.6704 6.0008 6.0008 6.3859 6.3859 8.4221 8.4221 9.1175 9.1175 9.3367 9.3367 9.7513 9.7513 10.4469 10.4469 10.7100 10.7100 15.7309 15.7309 16.3693 16.3693 18.8974 18.8974 k = 0.5658-0.1747 0.4082 ( 6475 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9309 -32.9309 -32.9286 -32.9286 5.6602 5.6602 6.0115 6.0115 6.3798 6.3798 8.4828 8.4828 9.1502 9.1502 9.3471 9.3471 9.7389 9.7389 10.3886 10.3886 10.6406 10.6406 15.7238 15.7238 16.3279 16.3279 18.9862 18.9862 k = 0.5592-0.1861 0.4082 ( 6455 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8977 -33.8977 -32.9309 -32.9309 -32.9286 -32.9286 5.6508 5.6508 6.0140 6.0140 6.3805 6.3805 8.5466 8.5466 9.1813 9.1813 9.3606 9.3606 9.7273 9.7273 10.3263 10.3263 10.5745 10.5745 15.7158 15.7158 16.2920 16.2920 19.0754 19.0754 k = 0.5526-0.1975 0.4082 ( 6441 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9309 -32.9309 -32.9286 -32.9286 5.6424 5.6424 6.0104 6.0104 6.3859 6.3859 8.6121 8.6121 9.2096 9.2096 9.3786 9.3786 9.7158 9.7158 10.2606 10.2606 10.5119 10.5119 15.7072 15.7072 16.2615 16.2615 19.1641 19.1641 k = 0.5461-0.2089 0.4082 ( 6431 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9309 -32.9309 -32.9286 -32.9286 5.6350 5.6350 6.0030 6.0030 6.3941 6.3941 8.6780 8.6780 9.2347 9.2347 9.4023 9.4023 9.7038 9.7038 10.1923 10.1923 10.4535 10.4535 15.6984 15.6984 16.2360 16.2360 19.2511 19.2511 k = 0.5395-0.2203 0.4082 ( 6447 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6286 5.6286 5.9937 5.9937 6.4033 6.4033 8.7423 8.7423 9.2574 9.2574 9.4319 9.4319 9.6907 9.6907 10.1221 10.1221 10.3999 10.3999 15.6897 15.6897 16.2151 16.2151 19.3349 19.3349 k = 0.5329-0.2317 0.4082 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6231 5.6231 5.9841 5.9841 6.4123 6.4123 8.8027 8.8027 9.2794 9.2794 9.4663 9.4663 9.6760 9.6760 10.0510 10.0510 10.3520 10.3520 15.6816 15.6816 16.1982 16.1982 19.4134 19.4134 k = 0.5263-0.2431 0.4082 ( 6451 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6186 5.6186 5.9752 5.9752 6.4204 6.4204 8.8566 8.8566 9.3028 9.3028 9.5034 9.5034 9.6602 9.6602 9.9802 9.9802 10.3108 10.3108 15.6744 15.6744 16.1851 16.1851 19.4843 19.4843 k = 0.5197-0.2545 0.4082 ( 6449 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6152 5.6152 5.9677 5.9677 6.4270 6.4270 8.9010 8.9010 9.3289 9.3289 9.5390 9.5390 9.6465 9.6465 9.9109 9.9109 10.2774 10.2774 15.6685 15.6685 16.1753 16.1753 19.5446 19.5446 k = 0.5132-0.2659 0.4082 ( 6440 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6127 5.6127 5.9621 5.9621 6.4319 6.4319 8.9338 8.9338 9.3565 9.3565 9.5607 9.5607 9.6480 9.6480 9.8446 9.8446 10.2526 10.2526 15.6640 15.6640 16.1686 16.1686 19.5911 19.5911 k = 0.5066-0.2773 0.4082 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6112 5.6112 5.9586 5.9586 6.4349 6.4349 8.9537 8.9537 9.3804 9.3804 9.5591 9.5591 9.6784 9.6784 9.7829 9.7829 10.2374 10.2374 15.6613 15.6613 16.1646 16.1646 19.6205 19.6205 k = 0.5000-0.2887 0.4082 ( 6434 PWs) bands (ev): -79.5435 -79.5435 -46.4192 -46.4192 -33.8976 -33.8976 -32.9310 -32.9310 -32.9286 -32.9286 5.6107 5.6107 5.9574 5.9574 6.4359 6.4359 8.9603 8.9603 9.3906 9.3906 9.5543 9.5543 9.7211 9.7211 9.7318 9.7318 10.2323 10.2323 15.6603 15.6603 16.1633 16.1633 19.6306 19.6306 Writing output data file LiAl2Ir.save init_run : 0.30s CPU 0.62s WALL ( 1 calls) electrons : 117.38s CPU 118.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 117.37s CPU 118.91s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 352 calls) cegterg : 102.43s CPU 103.47s WALL ( 389 calls) Called by sum_band: Called by *egterg: h_psi : 77.95s CPU 78.85s WALL ( 6564 calls) s_psi : 2.74s CPU 2.88s WALL ( 6564 calls) g_psi : 0.20s CPU 0.21s WALL ( 5823 calls) cdiaghg : 23.08s CPU 23.19s WALL ( 6175 calls) cegterg:over : 3.38s CPU 3.41s WALL ( 5823 calls) cegterg:upda : 3.34s CPU 3.31s WALL ( 5823 calls) cegterg:last : 1.84s CPU 1.92s WALL ( 1092 calls) cdiaghg:chol : 1.37s CPU 1.37s WALL ( 6175 calls) cdiaghg:inve : 0.55s CPU 0.60s WALL ( 6175 calls) cdiaghg:para : 1.38s CPU 1.39s WALL ( 12350 calls) Called by h_psi: h_psi:vloc : 70.98s CPU 72.08s WALL ( 6564 calls) h_psi:vnl : 6.80s CPU 6.59s WALL ( 6564 calls) add_vuspsi : 3.52s CPU 3.35s WALL ( 6564 calls) General routines calbec : 3.27s CPU 3.23s WALL ( 6564 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 67.54s CPU 68.46s WALL ( 466772 calls) davcio : 0.24s CPU 0.28s WALL ( 704 calls) Parallel routines fft_scatter : 21.32s CPU 21.42s WALL ( 466787 calls) PWSCF : 2m12.94s CPU 2m25.62s WALL This run was terminated on: 18:31:46 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=