Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 9:29 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: ./Li2GePd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 51 14 2200 1440 216 Max 68 52 15 2203 1460 220 Sum 2419 1843 511 79231 52201 7799 bravais-lattice index = 14 lattice parameter (alat) = 8.0602 a.u. unit-cell volume = 370.2717 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.060188 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 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. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Ge 4.00 72.64000 Ge( 1.00) Li 3.00 6.94100 Li( 1.00) Pd 18.00 106.42000 Pd( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028571 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028571 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028571 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028571 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028571 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028571 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028571 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028571 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028571 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028571 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028571 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028571 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028571 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028571 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028571 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028571 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028571 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028571 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028571 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028571 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028571 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028571 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028571 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028571 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028571 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028571 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028571 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028571 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028571 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028571 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028571 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028571 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028571 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028571 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028571 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028571 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028571 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028571 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028571 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028571 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028571 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028571 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028571 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028571 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028571 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028571 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028571 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028571 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028571 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028571 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028571 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028571 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028571 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028571 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028571 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028571 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028571 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028571 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028571 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028571 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028571 k( 82) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028571 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028571 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028571 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028571 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028571 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028571 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028571 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028571 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028571 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028571 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028571 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028571 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028571 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028571 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028571 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028571 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028571 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028571 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028571 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028571 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028571 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028571 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028571 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028571 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028571 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028571 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028571 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028571 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028571 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028571 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028571 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028571 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028571 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028571 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028571 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028571 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028571 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028571 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028571 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028571 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028571 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028571 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028571 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028571 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028571 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028571 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028571 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028571 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028571 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028571 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028571 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028571 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028571 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028571 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028571 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028571 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028571 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028571 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028571 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028571 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028571 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028571 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028571 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028571 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028571 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028571 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028571 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028571 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028571 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028571 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028571 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028571 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028571 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028571 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028571 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028571 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028571 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028571 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028571 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028571 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028571 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028571 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028571 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028571 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028571 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028571 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028571 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028571 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028571 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028571 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028571 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028571 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028571 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028571 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028571 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028571 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028571 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028571 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028571 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028571 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028571 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028571 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028571 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028571 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028571 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028571 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028571 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028571 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028571 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028571 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028571 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028571 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028571 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028571 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028571 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028571 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028571 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 208) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028571 k( 209) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028571 k( 210) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028571 k( 211) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028571 k( 212) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028571 k( 213) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028571 k( 214) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028571 k( 215) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028571 k( 216) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028571 k( 217) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028571 k( 218) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028571 k( 219) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028571 k( 220) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028571 k( 221) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028571 k( 222) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028571 k( 223) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028571 k( 224) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028571 k( 225) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028571 k( 226) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028571 k( 227) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028571 k( 228) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028571 k( 229) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028571 k( 230) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028571 k( 231) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028571 k( 232) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028571 k( 233) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028571 k( 234) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028571 k( 235) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028571 k( 236) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028571 k( 237) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028571 k( 238) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028571 k( 239) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 241) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028571 k( 242) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028571 k( 243) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028571 k( 244) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028571 k( 245) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028571 k( 246) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028571 k( 247) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028571 k( 248) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028571 k( 249) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028571 k( 250) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028571 k( 251) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028571 k( 252) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028571 k( 253) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028571 k( 254) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028571 k( 255) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028571 k( 256) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028571 k( 257) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028571 k( 258) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028571 k( 259) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 260) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 261) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028571 k( 262) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028571 k( 263) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028571 k( 264) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028571 k( 265) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028571 k( 266) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028571 k( 267) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028571 k( 268) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028571 k( 269) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028571 k( 270) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028571 k( 271) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028571 k( 272) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028571 k( 273) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028571 k( 274) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028571 k( 275) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028571 k( 276) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028571 k( 277) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028571 k( 278) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028571 k( 279) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028571 k( 280) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028571 k( 281) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028571 k( 282) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028571 k( 283) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028571 k( 284) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028571 k( 285) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028571 k( 286) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028571 k( 287) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028571 k( 288) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028571 k( 289) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028571 k( 290) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028571 k( 291) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028571 k( 292) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028571 k( 293) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028571 k( 294) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028571 k( 295) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028571 k( 296) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028571 k( 297) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 299) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028571 k( 300) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028571 k( 301) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028571 k( 302) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028571 k( 303) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028571 k( 304) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028571 k( 305) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028571 k( 306) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028571 k( 307) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028571 k( 308) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028571 k( 309) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028571 k( 310) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028571 k( 311) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028571 k( 312) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028571 k( 313) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028571 k( 314) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028571 k( 315) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028571 k( 316) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028571 k( 317) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028571 k( 318) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028571 k( 319) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028571 k( 320) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028571 k( 321) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028571 k( 322) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028571 k( 323) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028571 k( 324) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028571 k( 325) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028571 k( 326) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028571 k( 327) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028571 k( 328) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028571 k( 329) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028571 k( 330) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 332) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028571 k( 333) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028571 k( 334) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028571 k( 335) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028571 k( 336) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028571 k( 337) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028571 k( 338) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028571 k( 339) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028571 k( 340) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028571 k( 341) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028571 k( 342) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028571 k( 343) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028571 k( 344) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028571 k( 345) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028571 k( 346) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028571 k( 347) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028571 k( 348) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028571 k( 349) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028571 k( 350) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0000000 0.0377358), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.1132076 0.0000000 0.1132075), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.1886792 -0.0000000 0.1886792), wk = 0.0028571 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.3584906 0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.3867925 -0.0000000 0.3867924), wk = 0.0028571 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028571 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028571 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028571 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028571 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028571 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028571 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028571 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028571 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028571 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028571 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028571 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028571 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028571 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028571 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028571 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028571 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028571 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028571 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028571 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028571 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028571 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028571 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028571 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028571 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028571 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028571 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028571 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028571 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028571 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028571 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028571 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028571 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028571 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028571 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028571 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028571 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028571 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028571 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028571 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028571 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028571 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028571 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028571 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028571 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028571 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028571 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028571 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028571 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028571 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028571 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028571 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028571 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028571 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028571 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028571 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028571 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028571 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028571 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028571 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028571 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028571 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028571 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028571 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028571 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028571 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028571 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028571 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028571 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028571 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028571 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028571 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028571 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028571 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028571 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028571 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028571 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028571 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028571 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028571 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028571 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028571 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028571 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028571 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028571 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028571 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028571 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028571 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028571 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028571 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028571 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028571 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028571 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028571 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028571 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028571 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028571 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028571 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028571 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028571 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028571 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028571 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028571 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028571 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028571 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028571 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028571 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028571 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028571 k( 170) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0028571 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028571 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028571 k( 173) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028571 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028571 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028571 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028571 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028571 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028571 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028571 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028571 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028571 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028571 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028571 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028571 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028571 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028571 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028571 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028571 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028571 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028571 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028571 k( 193) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028571 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028571 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028571 k( 196) = ( 0.3913044 0.3913044 0.3913043), wk = 0.0028571 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028571 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028571 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028571 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028571 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028571 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028571 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028571 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028571 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028571 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028571 k( 209) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028571 k( 210) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028571 k( 211) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028571 k( 212) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028571 k( 213) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028571 k( 214) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028571 k( 215) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028571 k( 216) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028571 k( 217) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028571 k( 218) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028571 k( 219) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028571 k( 220) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028571 k( 221) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028571 k( 222) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028571 k( 223) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028571 k( 224) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028571 k( 225) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028571 k( 226) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028571 k( 227) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028571 k( 228) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028571 k( 229) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028571 k( 230) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028571 k( 231) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028571 k( 232) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028571 k( 233) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028571 k( 234) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028571 k( 235) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028571 k( 236) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028571 k( 237) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028571 k( 238) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028571 k( 239) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 241) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028571 k( 242) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028571 k( 243) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028571 k( 244) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028571 k( 245) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028571 k( 246) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028571 k( 247) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028571 k( 248) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028571 k( 249) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028571 k( 250) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028571 k( 251) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028571 k( 252) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028571 k( 253) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028571 k( 254) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028571 k( 255) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028571 k( 256) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028571 k( 257) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028571 k( 258) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028571 k( 259) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 261) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028571 k( 262) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028571 k( 263) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028571 k( 264) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028571 k( 265) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028571 k( 266) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028571 k( 267) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028571 k( 268) = ( 0.5000000 0.3040541 0.6959459), wk = 0.0028571 k( 269) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028571 k( 270) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028571 k( 271) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028571 k( 272) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028571 k( 273) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028571 k( 274) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028571 k( 275) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028571 k( 276) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028571 k( 277) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028571 k( 278) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028571 k( 279) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028571 k( 280) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028571 k( 281) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028571 k( 282) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028571 k( 283) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028571 k( 284) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028571 k( 285) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028571 k( 286) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028571 k( 287) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028571 k( 288) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028571 k( 289) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028571 k( 290) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028571 k( 291) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028571 k( 292) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028571 k( 293) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028571 k( 294) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028571 k( 295) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028571 k( 296) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028571 k( 300) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028571 k( 301) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028571 k( 302) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028571 k( 303) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028571 k( 304) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028571 k( 305) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028571 k( 306) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028571 k( 307) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028571 k( 308) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028571 k( 309) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028571 k( 310) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028571 k( 311) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028571 k( 312) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028571 k( 313) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028571 k( 314) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028571 k( 315) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028571 k( 316) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028571 k( 317) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028571 k( 318) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028571 k( 319) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028571 k( 320) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028571 k( 321) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028571 k( 322) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028571 k( 323) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028571 k( 324) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028571 k( 325) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028571 k( 326) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028571 k( 327) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028571 k( 328) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028571 k( 329) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028571 k( 330) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 332) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028571 k( 333) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028571 k( 334) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028571 k( 335) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028571 k( 336) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028571 k( 337) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028571 k( 338) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028571 k( 339) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028571 k( 340) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028571 k( 341) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028571 k( 342) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028571 k( 343) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028571 k( 344) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028571 k( 345) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028571 k( 346) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028571 k( 347) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028571 k( 348) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028571 k( 349) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028571 k( 350) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 Dense grid: 79231 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 52201 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 380, 36) NL pseudopotentials 0.22 Mb ( 190, 76) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2201) G-vector shells 0.00 Mb ( 537) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 380, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.08 Mb ( 76, 2, 36) The potential is recalculated from file : ./Li2GePd.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.8 secs Computing kpt #: 17 total cpu time spent up to now is 8.1 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.6 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.1 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.2 secs Computing kpt #: 29 total cpu time spent up to now is 12.5 secs Computing kpt #: 30 total cpu time spent up to now is 12.9 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing kpt #: 32 total cpu time spent up to now is 13.6 secs Computing kpt #: 33 total cpu time spent up to now is 13.9 secs Computing kpt #: 34 total cpu time spent up to now is 14.3 secs Computing kpt #: 35 total cpu time spent up to now is 14.6 secs Computing kpt #: 36 total cpu time spent up to now is 15.0 secs Computing kpt #: 37 total cpu time spent up to now is 15.3 secs Computing kpt #: 38 total cpu time spent up to now is 15.6 secs Computing kpt #: 39 total cpu time spent up to now is 16.0 secs Computing kpt #: 40 total cpu time spent up to now is 16.3 secs Computing kpt #: 41 total cpu time spent up to now is 16.7 secs Computing kpt #: 42 total cpu time spent up to now is 17.0 secs Computing kpt #: 43 total cpu time spent up to now is 17.4 secs Computing kpt #: 44 total cpu time spent up to now is 17.7 secs Computing kpt #: 45 total cpu time spent up to now is 18.1 secs Computing kpt #: 46 total cpu time spent up to now is 18.4 secs Computing kpt #: 47 total cpu time spent up to now is 18.7 secs Computing kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.4 secs Computing kpt #: 50 total cpu time spent up to now is 19.8 secs Computing kpt #: 51 total cpu time spent up to now is 20.1 secs Computing kpt #: 52 total cpu time spent up to now is 20.4 secs Computing kpt #: 53 total cpu time spent up to now is 20.8 secs Computing kpt #: 54 total cpu time spent up to now is 21.1 secs Computing kpt #: 55 total cpu time spent up to now is 21.5 secs Computing kpt #: 56 total cpu time spent up to now is 21.9 secs Computing kpt #: 57 total cpu time spent up to now is 22.2 secs Computing kpt #: 58 total cpu time spent up to now is 22.5 secs Computing kpt #: 59 total cpu time spent up to now is 22.9 secs Computing kpt #: 60 total cpu time spent up to now is 23.2 secs Computing kpt #: 61 total cpu time spent up to now is 23.5 secs Computing kpt #: 62 total cpu time spent up to now is 23.9 secs Computing kpt #: 63 total cpu time spent up to now is 24.2 secs Computing kpt #: 64 total cpu time spent up to now is 24.5 secs Computing kpt #: 65 total cpu time spent up to now is 24.8 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu time spent up to now is 25.7 secs Computing kpt #: 69 total cpu time spent up to now is 26.0 secs Computing kpt #: 70 total cpu time spent up to now is 26.3 secs Computing kpt #: 71 total cpu time spent up to now is 26.6 secs Computing kpt #: 72 total cpu time spent up to now is 26.9 secs Computing kpt #: 73 total cpu time spent up to now is 27.2 secs Computing kpt #: 74 total cpu time spent up to now is 27.5 secs Computing kpt #: 75 total cpu time spent up to now is 27.8 secs Computing kpt #: 76 total cpu time spent up to now is 28.1 secs Computing kpt #: 77 total cpu time spent up to now is 28.4 secs Computing kpt #: 78 total cpu time spent up to now is 28.8 secs Computing kpt #: 79 total cpu time spent up to now is 29.1 secs Computing kpt #: 80 total cpu time spent up to now is 29.4 secs Computing kpt #: 81 total cpu time spent up to now is 29.8 secs Computing kpt #: 82 total cpu time spent up to now is 30.1 secs Computing kpt #: 83 total cpu time spent up to now is 30.4 secs Computing kpt #: 84 total cpu time spent up to now is 30.8 secs Computing kpt #: 85 total cpu time spent up to now is 31.1 secs Computing kpt #: 86 total cpu time spent up to now is 31.4 secs Computing kpt #: 87 total cpu time spent up to now is 31.8 secs Computing kpt #: 88 total cpu time spent up to now is 32.1 secs Computing kpt #: 89 total cpu time spent up to now is 32.4 secs Computing kpt #: 90 total cpu time spent up to now is 32.7 secs Computing kpt #: 91 total cpu time spent up to now is 33.1 secs Computing kpt #: 92 total cpu time spent up to now is 33.4 secs Computing kpt #: 93 total cpu time spent up to now is 33.7 secs Computing kpt #: 94 total cpu time spent up to now is 34.0 secs Computing kpt #: 95 total cpu time spent up to now is 34.4 secs Computing kpt #: 96 total cpu time spent up to now is 34.7 secs Computing kpt #: 97 total cpu time spent up to now is 35.0 secs Computing kpt #: 98 total cpu time spent up to now is 35.3 secs Computing kpt #: 99 total cpu time spent up to now is 35.7 secs Computing kpt #: 100 total cpu time spent up to now is 36.0 secs Computing kpt #: 101 total cpu time spent up to now is 36.3 secs Computing kpt #: 102 total cpu time spent up to now is 36.7 secs Computing kpt #: 103 total cpu time spent up to now is 37.1 secs Computing kpt #: 104 total cpu time spent up to now is 37.4 secs Computing kpt #: 105 total cpu time spent up to now is 37.8 secs Computing kpt #: 106 total cpu time spent up to now is 38.1 secs Computing kpt #: 107 total cpu time spent up to now is 38.4 secs Computing kpt #: 108 total cpu time spent up to now is 38.8 secs Computing kpt #: 109 total cpu time spent up to now is 39.1 secs Computing kpt #: 110 total cpu time spent up to now is 39.4 secs Computing kpt #: 111 total cpu time spent up to now is 39.8 secs Computing kpt #: 112 total cpu time spent up to now is 40.1 secs Computing kpt #: 113 total cpu time spent up to now is 40.4 secs Computing kpt #: 114 total cpu time spent up to now is 40.7 secs Computing kpt #: 115 total cpu time spent up to now is 41.0 secs Computing kpt #: 116 total cpu time spent up to now is 41.3 secs Computing kpt #: 117 total cpu time spent up to now is 41.6 secs Computing kpt #: 118 total cpu time spent up to now is 41.9 secs Computing kpt #: 119 total cpu time spent up to now is 42.2 secs Computing kpt #: 120 total cpu time spent up to now is 42.6 secs Computing kpt #: 121 total cpu time spent up to now is 42.9 secs Computing kpt #: 122 total cpu time spent up to now is 43.2 secs Computing kpt #: 123 total cpu time spent up to now is 43.5 secs Computing kpt #: 124 total cpu time spent up to now is 43.8 secs Computing kpt #: 125 total cpu time spent up to now is 44.1 secs Computing kpt #: 126 total cpu time spent up to now is 44.5 secs Computing kpt #: 127 total cpu time spent up to now is 44.8 secs Computing kpt #: 128 total cpu time spent up to now is 45.1 secs Computing kpt #: 129 total cpu time spent up to now is 45.4 secs Computing kpt #: 130 total cpu time spent up to now is 45.8 secs Computing kpt #: 131 total cpu time spent up to now is 46.1 secs Computing kpt #: 132 total cpu time spent up to now is 46.5 secs Computing kpt #: 133 total cpu time spent up to now is 46.8 secs Computing kpt #: 134 total cpu time spent up to now is 47.2 secs Computing kpt #: 135 total cpu time spent up to now is 47.5 secs Computing kpt #: 136 total cpu time spent up to now is 47.9 secs Computing kpt #: 137 total cpu time spent up to now is 48.3 secs Computing kpt #: 138 total cpu time spent up to now is 48.6 secs Computing kpt #: 139 total cpu time spent up to now is 49.0 secs Computing kpt #: 140 total cpu time spent up to now is 49.4 secs Computing kpt #: 141 total cpu time spent up to now is 49.8 secs Computing kpt #: 142 total cpu time spent up to now is 50.1 secs Computing kpt #: 143 total cpu time spent up to now is 50.5 secs Computing kpt #: 144 total cpu time spent up to now is 50.9 secs Computing kpt #: 145 total cpu time spent up to now is 51.2 secs Computing kpt #: 146 total cpu time spent up to now is 51.5 secs Computing kpt #: 147 total cpu time spent up to now is 51.9 secs Computing kpt #: 148 total cpu time spent up to now is 52.2 secs Computing kpt #: 149 total cpu time spent up to now is 52.6 secs Computing kpt #: 150 total cpu time spent up to now is 52.9 secs Computing kpt #: 151 total cpu time spent up to now is 53.3 secs Computing kpt #: 152 total cpu time spent up to now is 53.6 secs Computing kpt #: 153 total cpu time spent up to now is 54.0 secs Computing kpt #: 154 total cpu time spent up to now is 54.3 secs Computing kpt #: 155 total cpu time spent up to now is 54.7 secs Computing kpt #: 156 total cpu time spent up to now is 55.0 secs Computing kpt #: 157 total cpu time spent up to now is 55.4 secs Computing kpt #: 158 total cpu time spent up to now is 55.7 secs Computing kpt #: 159 total cpu time spent up to now is 56.1 secs Computing kpt #: 160 total cpu time spent up to now is 56.4 secs Computing kpt #: 161 total cpu time spent up to now is 56.8 secs Computing kpt #: 162 total cpu time spent up to now is 57.2 secs Computing kpt #: 163 total cpu time spent up to now is 57.5 secs Computing kpt #: 164 total cpu time spent up to now is 57.9 secs Computing kpt #: 165 total cpu time spent up to now is 58.3 secs Computing kpt #: 166 total cpu time spent up to now is 58.6 secs Computing kpt #: 167 total cpu time spent up to now is 59.0 secs Computing kpt #: 168 total cpu time spent up to now is 59.3 secs Computing kpt #: 169 total cpu time spent up to now is 59.7 secs Computing kpt #: 170 total cpu time spent up to now is 60.1 secs Computing kpt #: 171 total cpu time spent up to now is 60.4 secs Computing kpt #: 172 total cpu time spent up to now is 60.8 secs Computing kpt #: 173 total cpu time spent up to now is 61.2 secs Computing kpt #: 174 total cpu time spent up to now is 61.5 secs Computing kpt #: 175 total cpu time spent up to now is 61.9 secs Computing kpt #: 176 total cpu time spent up to now is 62.3 secs Computing kpt #: 177 total cpu time spent up to now is 62.7 secs Computing kpt #: 178 total cpu time spent up to now is 63.0 secs Computing kpt #: 179 total cpu time spent up to now is 63.4 secs Computing kpt #: 180 total cpu time spent up to now is 63.7 secs Computing kpt #: 181 total cpu time spent up to now is 64.1 secs Computing kpt #: 182 total cpu time spent up to now is 64.4 secs Computing kpt #: 183 total cpu time spent up to now is 64.8 secs Computing kpt #: 184 total cpu time spent up to now is 65.1 secs Computing kpt #: 185 total cpu time spent up to now is 65.4 secs Computing kpt #: 186 total cpu time spent up to now is 65.7 secs Computing kpt #: 187 total cpu time spent up to now is 66.0 secs Computing kpt #: 188 total cpu time spent up to now is 66.4 secs Computing kpt #: 189 total cpu time spent up to now is 66.7 secs Computing kpt #: 190 total cpu time spent up to now is 67.0 secs Computing kpt #: 191 total cpu time spent up to now is 67.3 secs Computing kpt #: 192 total cpu time spent up to now is 67.6 secs Computing kpt #: 193 total cpu time spent up to now is 67.9 secs Computing kpt #: 194 total cpu time spent up to now is 68.3 secs Computing kpt #: 195 total cpu time spent up to now is 68.6 secs Computing kpt #: 196 total cpu time spent up to now is 69.0 secs Computing kpt #: 197 total cpu time spent up to now is 69.3 secs Computing kpt #: 198 total cpu time spent up to now is 69.6 secs Computing kpt #: 199 total cpu time spent up to now is 70.0 secs Computing kpt #: 200 total cpu time spent up to now is 70.3 secs Computing kpt #: 201 total cpu time spent up to now is 70.6 secs Computing kpt #: 202 total cpu time spent up to now is 70.9 secs Computing kpt #: 203 total cpu time spent up to now is 71.2 secs Computing kpt #: 204 total cpu time spent up to now is 71.5 secs Computing kpt #: 205 total cpu time spent up to now is 71.9 secs Computing kpt #: 206 total cpu time spent up to now is 72.2 secs Computing kpt #: 207 total cpu time spent up to now is 72.5 secs Computing kpt #: 208 total cpu time spent up to now is 72.8 secs Computing kpt #: 209 total cpu time spent up to now is 73.1 secs Computing kpt #: 210 total cpu time spent up to now is 73.4 secs Computing kpt #: 211 total cpu time spent up to now is 73.7 secs Computing kpt #: 212 total cpu time spent up to now is 74.1 secs Computing kpt #: 213 total cpu time spent up to now is 74.4 secs Computing kpt #: 214 total cpu time spent up to now is 74.7 secs Computing kpt #: 215 total cpu time spent up to now is 75.0 secs Computing kpt #: 216 total cpu time spent up to now is 75.3 secs Computing kpt #: 217 total cpu time spent up to now is 75.7 secs Computing kpt #: 218 total cpu time spent up to now is 76.0 secs Computing kpt #: 219 total cpu time spent up to now is 76.3 secs Computing kpt #: 220 total cpu time spent up to now is 76.6 secs Computing kpt #: 221 total cpu time spent up to now is 76.9 secs Computing kpt #: 222 total cpu time spent up to now is 77.2 secs Computing kpt #: 223 total cpu time spent up to now is 77.6 secs Computing kpt #: 224 total cpu time spent up to now is 77.9 secs Computing kpt #: 225 total cpu time spent up to now is 78.2 secs Computing kpt #: 226 total cpu time spent up to now is 78.5 secs Computing kpt #: 227 total cpu time spent up to now is 78.8 secs Computing kpt #: 228 total cpu time spent up to now is 79.2 secs Computing kpt #: 229 total cpu time spent up to now is 79.5 secs Computing kpt #: 230 total cpu time spent up to now is 79.8 secs Computing kpt #: 231 total cpu time spent up to now is 80.2 secs Computing kpt #: 232 total cpu time spent up to now is 80.6 secs Computing kpt #: 233 total cpu time spent up to now is 80.9 secs Computing kpt #: 234 total cpu time spent up to now is 81.3 secs Computing kpt #: 235 total cpu time spent up to now is 81.6 secs Computing kpt #: 236 total cpu time spent up to now is 82.0 secs Computing kpt #: 237 total cpu time spent up to now is 82.4 secs Computing kpt #: 238 total cpu time spent up to now is 82.7 secs Computing kpt #: 239 total cpu time spent up to now is 83.1 secs Computing kpt #: 240 total cpu time spent up to now is 83.5 secs Computing kpt #: 241 total cpu time spent up to now is 83.8 secs Computing kpt #: 242 total cpu time spent up to now is 84.2 secs Computing kpt #: 243 total cpu time spent up to now is 84.5 secs Computing kpt #: 244 total cpu time spent up to now is 84.8 secs Computing kpt #: 245 total cpu time spent up to now is 85.1 secs Computing kpt #: 246 total cpu time spent up to now is 85.5 secs Computing kpt #: 247 total cpu time spent up to now is 85.8 secs Computing kpt #: 248 total cpu time spent up to now is 86.1 secs Computing kpt #: 249 total cpu time spent up to now is 86.4 secs Computing kpt #: 250 total cpu time spent up to now is 86.8 secs Computing kpt #: 251 total cpu time spent up to now is 87.1 secs Computing kpt #: 252 total cpu time spent up to now is 87.4 secs Computing kpt #: 253 total cpu time spent up to now is 87.7 secs Computing kpt #: 254 total cpu time spent up to now is 88.1 secs Computing kpt #: 255 total cpu time spent up to now is 88.4 secs Computing kpt #: 256 total cpu time spent up to now is 88.7 secs Computing kpt #: 257 total cpu time spent up to now is 89.1 secs Computing kpt #: 258 total cpu time spent up to now is 89.4 secs Computing kpt #: 259 total cpu time spent up to now is 89.7 secs Computing kpt #: 260 total cpu time spent up to now is 90.1 secs Computing kpt #: 261 total cpu time spent up to now is 90.4 secs Computing kpt #: 262 total cpu time spent up to now is 90.8 secs Computing kpt #: 263 total cpu time spent up to now is 91.1 secs Computing kpt #: 264 total cpu time spent up to now is 91.4 secs Computing kpt #: 265 total cpu time spent up to now is 91.8 secs Computing kpt #: 266 total cpu time spent up to now is 92.1 secs Computing kpt #: 267 total cpu time spent up to now is 92.5 secs Computing kpt #: 268 total cpu time spent up to now is 92.8 secs Computing kpt #: 269 total cpu time spent up to now is 93.1 secs Computing kpt #: 270 total cpu time spent up to now is 93.5 secs Computing kpt #: 271 total cpu time spent up to now is 93.8 secs Computing kpt #: 272 total cpu time spent up to now is 94.1 secs Computing kpt #: 273 total cpu time spent up to now is 94.5 secs Computing kpt #: 274 total cpu time spent up to now is 94.8 secs Computing kpt #: 275 total cpu time spent up to now is 95.2 secs Computing kpt #: 276 total cpu time spent up to now is 95.5 secs Computing kpt #: 277 total cpu time spent up to now is 95.9 secs Computing kpt #: 278 total cpu time spent up to now is 96.2 secs Computing kpt #: 279 total cpu time spent up to now is 96.5 secs Computing kpt #: 280 total cpu time spent up to now is 96.9 secs Computing kpt #: 281 total cpu time spent up to now is 97.2 secs Computing kpt #: 282 total cpu time spent up to now is 97.5 secs Computing kpt #: 283 total cpu time spent up to now is 97.8 secs Computing kpt #: 284 total cpu time spent up to now is 98.2 secs Computing kpt #: 285 total cpu time spent up to now is 98.5 secs Computing kpt #: 286 total cpu time spent up to now is 98.8 secs Computing kpt #: 287 total cpu time spent up to now is 99.1 secs Computing kpt #: 288 total cpu time spent up to now is 99.4 secs Computing kpt #: 289 total cpu time spent up to now is 99.8 secs Computing kpt #: 290 total cpu time spent up to now is 100.1 secs Computing kpt #: 291 total cpu time spent up to now is 100.4 secs Computing kpt #: 292 total cpu time spent up to now is 100.7 secs Computing kpt #: 293 total cpu time spent up to now is 101.0 secs Computing kpt #: 294 total cpu time spent up to now is 101.3 secs Computing kpt #: 295 total cpu time spent up to now is 101.6 secs Computing kpt #: 296 total cpu time spent up to now is 101.9 secs Computing kpt #: 297 total cpu time spent up to now is 102.3 secs Computing kpt #: 298 total cpu time spent up to now is 102.6 secs Computing kpt #: 299 total cpu time spent up to now is 102.9 secs Computing kpt #: 300 total cpu time spent up to now is 103.2 secs Computing kpt #: 301 total cpu time spent up to now is 103.5 secs Computing kpt #: 302 total cpu time spent up to now is 103.9 secs Computing kpt #: 303 total cpu time spent up to now is 104.2 secs Computing kpt #: 304 total cpu time spent up to now is 104.6 secs Computing kpt #: 305 total cpu time spent up to now is 104.9 secs Computing kpt #: 306 total cpu time spent up to now is 105.2 secs Computing kpt #: 307 total cpu time spent up to now is 105.5 secs Computing kpt #: 308 total cpu time spent up to now is 105.8 secs Computing kpt #: 309 total cpu time spent up to now is 106.2 secs Computing kpt #: 310 total cpu time spent up to now is 106.5 secs Computing kpt #: 311 total cpu time spent up to now is 106.8 secs Computing kpt #: 312 total cpu time spent up to now is 107.1 secs Computing kpt #: 313 total cpu time spent up to now is 107.4 secs Computing kpt #: 314 total cpu time spent up to now is 107.7 secs Computing kpt #: 315 total cpu time spent up to now is 108.1 secs Computing kpt #: 316 total cpu time spent up to now is 108.4 secs Computing kpt #: 317 total cpu time spent up to now is 108.7 secs Computing kpt #: 318 total cpu time spent up to now is 109.0 secs Computing kpt #: 319 total cpu time spent up to now is 109.3 secs Computing kpt #: 320 total cpu time spent up to now is 109.7 secs Computing kpt #: 321 total cpu time spent up to now is 110.0 secs Computing kpt #: 322 total cpu time spent up to now is 110.3 secs Computing kpt #: 323 total cpu time spent up to now is 110.7 secs Computing kpt #: 324 total cpu time spent up to now is 111.0 secs Computing kpt #: 325 total cpu time spent up to now is 111.4 secs Computing kpt #: 326 total cpu time spent up to now is 111.7 secs Computing kpt #: 327 total cpu time spent up to now is 112.1 secs Computing kpt #: 328 total cpu time spent up to now is 112.5 secs Computing kpt #: 329 total cpu time spent up to now is 112.8 secs Computing kpt #: 330 total cpu time spent up to now is 113.2 secs Computing kpt #: 331 total cpu time spent up to now is 113.6 secs Computing kpt #: 332 total cpu time spent up to now is 113.9 secs Computing kpt #: 333 total cpu time spent up to now is 114.3 secs Computing kpt #: 334 total cpu time spent up to now is 114.6 secs Computing kpt #: 335 total cpu time spent up to now is 115.0 secs Computing kpt #: 336 total cpu time spent up to now is 115.3 secs Computing kpt #: 337 total cpu time spent up to now is 115.7 secs Computing kpt #: 338 total cpu time spent up to now is 116.0 secs Computing kpt #: 339 total cpu time spent up to now is 116.4 secs Computing kpt #: 340 total cpu time spent up to now is 116.8 secs Computing kpt #: 341 total cpu time spent up to now is 117.1 secs Computing kpt #: 342 total cpu time spent up to now is 117.4 secs Computing kpt #: 343 total cpu time spent up to now is 117.8 secs Computing kpt #: 344 total cpu time spent up to now is 118.2 secs Computing kpt #: 345 total cpu time spent up to now is 118.5 secs Computing kpt #: 346 total cpu time spent up to now is 118.9 secs Computing kpt #: 347 total cpu time spent up to now is 119.3 secs Computing kpt #: 348 total cpu time spent up to now is 119.6 secs Computing kpt #: 349 total cpu time spent up to now is 120.0 secs Computing kpt #: 350 total cpu time spent up to now is 120.3 secs ethr = 3.57E-08, avg # of iterations = 15.7 total cpu time spent up to now is 120.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1403 -36.1403 -36.1141 -36.1141 -0.3707 -0.3707 5.9807 5.9807 5.9807 5.9807 6.2717 6.2717 6.6472 6.6472 6.6472 6.6472 9.8238 9.8238 10.1024 10.1024 10.1024 10.1024 11.7915 11.7915 14.9043 14.9043 14.9043 14.9043 k = 0.0094-0.0054 0.0077 ( 6495 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1403 -36.1403 -36.1142 -36.1142 -0.3697 -0.3697 5.9806 5.9806 5.9808 5.9808 6.2716 6.2716 6.6451 6.6451 6.6473 6.6473 9.8209 9.8209 10.0957 10.0957 10.1009 10.1009 11.8045 11.8045 14.9010 14.9010 14.9038 14.9038 k = 0.0189-0.0109 0.0154 ( 6503 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1402 -36.1402 -36.1143 -36.1143 -0.3667 -0.3667 5.9802 5.9802 5.9809 5.9809 6.2716 6.2716 6.6388 6.6388 6.6479 6.6479 9.8119 9.8119 10.0766 10.0766 10.0964 10.0964 11.8427 11.8427 14.8916 14.8916 14.9024 14.9024 k = 0.0283-0.0163 0.0231 ( 6507 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1402 -36.1402 -36.1143 -36.1143 -0.3618 -0.3618 5.9795 5.9795 5.9812 5.9812 6.2716 6.2716 6.6285 6.6285 6.6487 6.6487 9.7966 9.7966 10.0476 10.0476 10.0888 10.0888 11.9039 11.9039 14.8770 14.8770 14.8994 14.8994 k = 0.0377-0.0218 0.0308 ( 6507 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1401 -36.1401 -36.1144 -36.1144 -0.3549 -0.3549 5.9785 5.9785 5.9816 5.9816 6.2716 6.2716 6.6142 6.6142 6.6500 6.6500 9.7742 9.7742 10.0121 10.0121 10.0782 10.0782 11.9849 11.9849 14.8584 14.8584 14.8942 14.8942 k = 0.0472-0.0272 0.0385 ( 6499 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1400 -36.1400 -36.1144 -36.1144 -0.3461 -0.3461 5.9772 5.9772 5.9821 5.9821 6.2717 6.2717 6.5961 6.5961 6.6516 6.6516 9.7444 9.7444 9.9734 9.9734 10.0646 10.0646 12.0823 12.0823 14.8374 14.8374 14.8863 14.8863 k = 0.0566-0.0327 0.0462 ( 6499 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1399 -36.1399 -36.1145 -36.1145 -0.3354 -0.3354 5.9756 5.9756 5.9827 5.9827 6.2718 6.2718 6.5743 6.5743 6.6535 6.6535 9.7071 9.7071 9.9343 9.9343 10.0477 10.0477 12.1928 12.1928 14.8155 14.8155 14.8758 14.8758 k = 0.0660-0.0381 0.0539 ( 6503 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1398 -36.1398 -36.1146 -36.1146 -0.3228 -0.3228 5.9737 5.9737 5.9835 5.9835 6.2719 6.2719 6.5491 6.5491 6.6558 6.6558 9.6632 9.6632 9.8960 9.8960 10.0276 10.0276 12.3133 12.3133 14.7941 14.7941 14.8639 14.8639 k = 0.0755-0.0436 0.0616 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3309 -39.3309 -39.3307 -39.3307 -36.1396 -36.1396 -36.1147 -36.1147 -0.3084 -0.3084 5.9713 5.9713 5.9844 5.9844 6.2722 6.2722 6.5209 6.5209 6.6584 6.6584 9.6144 9.6144 9.8584 9.8584 10.0043 10.0043 12.4410 12.4410 14.7744 14.7744 14.8521 14.8521 k = 0.0849-0.0490 0.0693 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3309 -39.3309 -39.3308 -39.3308 -36.1395 -36.1395 -36.1148 -36.1148 -0.2922 -0.2922 5.9685 5.9685 5.9854 5.9854 6.2726 6.2726 6.4899 6.4899 6.6613 6.6613 9.5628 9.5628 9.8210 9.8210 9.9777 9.9777 12.5728 12.5728 14.7575 14.7575 14.8420 14.8420 k = 0.0943-0.0545 0.0770 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3310 -39.3310 -39.3308 -39.3308 -36.1393 -36.1393 -36.1149 -36.1149 -0.2741 -0.2741 5.9651 5.9651 5.9866 5.9866 6.2731 6.2731 6.4567 6.4567 6.6646 6.6646 9.5099 9.5099 9.7829 9.7829 9.9477 9.9477 12.7055 12.7055 14.7442 14.7442 14.8347 14.8347 k = 0.1038-0.0599 0.0847 ( 6507 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3310 -39.3310 -39.3308 -39.3308 -36.1391 -36.1391 -36.1151 -36.1151 -0.2544 -0.2544 5.9610 5.9610 5.9880 5.9880 6.2739 6.2739 6.4217 6.4217 6.6681 6.6681 9.4573 9.4573 9.7433 9.7433 9.9144 9.9144 12.8349 12.8349 14.7350 14.7350 14.8314 14.8314 k = 0.1132-0.0654 0.0924 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3311 -39.3311 -39.3308 -39.3308 -36.1389 -36.1389 -36.1152 -36.1152 -0.2331 -0.2331 5.9558 5.9558 5.9896 5.9896 6.2748 6.2748 6.3857 6.3857 6.6720 6.6720 9.4059 9.4059 9.7019 9.7019 9.8778 9.8778 12.9557 12.9557 14.7304 14.7304 14.8327 14.8327 k = 0.1226-0.0708 0.1001 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3311 -39.3311 -39.3308 -39.3308 -36.1386 -36.1386 -36.1154 -36.1154 -0.2101 -0.2101 5.9494 5.9494 5.9913 5.9913 6.2760 6.2760 6.3493 6.3493 6.6762 6.6762 9.3564 9.3564 9.6581 9.6581 9.8378 9.8378 13.0605 13.0605 14.7306 14.7306 14.8392 14.8392 k = 0.1321-0.0763 0.1078 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3312 -39.3312 -39.3308 -39.3308 -36.1384 -36.1384 -36.1156 -36.1156 -0.1857 -0.1857 5.9413 5.9413 5.9932 5.9932 6.2776 6.2776 6.3134 6.3134 6.6806 6.6806 9.3092 9.3092 9.6119 9.6119 9.7946 9.7946 13.1398 13.1398 14.7364 14.7364 14.8515 14.8515 k = 0.1415-0.0817 0.1155 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3313 -39.3313 -39.3308 -39.3308 -36.1381 -36.1381 -36.1158 -36.1158 -0.1597 -0.1597 5.9309 5.9309 5.9954 5.9954 6.2790 6.2790 6.2794 6.2794 6.6853 6.6853 9.2644 9.2644 9.5632 9.5632 9.7482 9.7482 13.1825 13.1825 14.7499 14.7499 14.8697 14.8697 k = 0.1509-0.0871 0.1232 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3313 -39.3313 -39.3309 -39.3309 -36.1378 -36.1378 -36.1160 -36.1160 -0.1325 -0.1325 5.9177 5.9177 5.9977 5.9977 6.2473 6.2473 6.2817 6.2817 6.6903 6.6903 9.2223 9.2223 9.5119 9.5119 9.6988 9.6988 13.1801 13.1801 14.7751 14.7751 14.8941 14.8941 k = 0.1604-0.0926 0.1309 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3314 -39.3314 -39.3309 -39.3309 -36.1375 -36.1375 -36.1162 -36.1162 -0.1039 -0.1039 5.9011 5.9011 6.0003 6.0003 6.2192 6.2192 6.2844 6.2844 6.6955 6.6955 9.1828 9.1828 9.4581 9.4581 9.6464 9.6464 13.1306 13.1306 14.8131 14.8131 14.9249 14.9249 k = 0.1698-0.0980 0.1387 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3315 -39.3315 -39.3309 -39.3309 -36.1372 -36.1372 -36.1164 -36.1164 -0.0742 -0.0742 5.8806 5.8806 6.0031 6.0031 6.1957 6.1957 6.2876 6.2876 6.7009 6.7009 9.1459 9.1459 9.4018 9.4018 9.5912 9.5912 13.0395 13.0395 14.8575 14.8575 14.9619 14.9619 k = 0.1792-0.1035 0.1464 ( 6515 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3316 -39.3316 -39.3309 -39.3309 -36.1369 -36.1369 -36.1166 -36.1166 -0.0434 -0.0434 5.8564 5.8564 6.0061 6.0061 6.1771 6.1771 6.2914 6.2914 6.7065 6.7065 9.1113 9.1113 9.3433 9.3433 9.5335 9.5335 12.9164 12.9164 14.9045 14.9045 15.0050 15.0050 k = 0.1887-0.1089 0.1541 ( 6515 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3316 -39.3316 -39.3310 -39.3310 -36.1366 -36.1366 -36.1169 -36.1169 -0.0116 -0.0116 5.8288 5.8288 6.0093 6.0093 6.1636 6.1636 6.2957 6.2957 6.7123 6.7123 9.0789 9.0789 9.2827 9.2827 9.4733 9.4733 12.7706 12.7706 14.9551 14.9551 15.0535 15.0535 k = 0.1981-0.1144 0.1618 ( 6515 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3317 -39.3317 -39.3310 -39.3310 -36.1362 -36.1362 -36.1171 -36.1171 0.0210 0.0210 5.7988 5.7988 6.0127 6.0127 6.1547 6.1547 6.3007 6.3007 6.7183 6.7183 9.0484 9.0484 9.2203 9.2203 9.4108 9.4108 12.6094 12.6094 15.0106 15.0106 15.1046 15.1046 k = 0.2075-0.1198 0.1695 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3318 -39.3318 -39.3310 -39.3310 -36.1359 -36.1359 -36.1173 -36.1173 0.0543 0.0543 5.7672 5.7672 6.0164 6.0164 6.1498 6.1498 6.3064 6.3064 6.7245 6.7245 9.0194 9.0194 9.1564 9.1564 9.3464 9.3464 12.4381 12.4381 15.0719 15.0719 15.1441 15.1441 k = 0.2170-0.1253 0.1772 ( 6498 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3319 -39.3319 -39.3310 -39.3310 -36.1356 -36.1356 -36.1175 -36.1175 0.0883 0.0883 5.7352 5.7352 6.0202 6.0202 6.1484 6.1484 6.3129 6.3129 6.7308 6.7308 8.9912 8.9912 9.0919 9.0919 9.2801 9.2801 12.2603 12.2603 15.1389 15.1389 15.1671 15.1671 k = 0.2264-0.1307 0.1849 ( 6498 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3320 -39.3320 -39.3310 -39.3310 -36.1352 -36.1352 -36.1178 -36.1178 0.1227 0.1227 5.7036 5.7036 6.0242 6.0242 6.1500 6.1500 6.3202 6.3202 6.7372 6.7372 8.9616 8.9616 9.0288 9.0288 9.2121 9.2121 12.0785 12.0785 15.1862 15.1862 15.2118 15.2118 k = 0.2358-0.1362 0.1926 ( 6482 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3321 -39.3321 -39.3311 -39.3311 -36.1349 -36.1349 -36.1180 -36.1180 0.1574 0.1574 5.6733 5.6733 6.0283 6.0283 6.1541 6.1541 6.3284 6.3284 6.7437 6.7437 8.9228 8.9228 8.9749 8.9749 9.1428 9.1428 11.8945 11.8945 15.2044 15.2044 15.2903 15.2903 k = 0.2453-0.1416 0.2003 ( 6486 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3322 -39.3322 -39.3311 -39.3311 -36.1345 -36.1345 -36.1183 -36.1183 0.1924 0.1924 5.6448 5.6448 6.0326 6.0326 6.1605 6.1605 6.3376 6.3376 6.7503 6.7503 8.8658 8.8658 8.9393 8.9393 9.0723 9.0723 11.7097 11.7097 15.2224 15.2224 15.3743 15.3743 k = 0.2547-0.1471 0.2080 ( 6486 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3322 -39.3322 -39.3311 -39.3311 -36.1342 -36.1342 -36.1185 -36.1185 0.2274 0.2274 5.6187 5.6187 6.0369 6.0369 6.1689 6.1689 6.3478 6.3478 6.7570 6.7570 8.7988 8.7988 8.9134 8.9134 9.0008 9.0008 11.5250 11.5250 15.2403 15.2403 15.4637 15.4637 k = 0.2642-0.1525 0.2157 ( 6478 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3323 -39.3323 -39.3311 -39.3311 -36.1338 -36.1338 -36.1187 -36.1187 0.2622 0.2622 5.5955 5.5955 6.0412 6.0412 6.1792 6.1792 6.3591 6.3591 6.7637 6.7637 8.7286 8.7286 8.8906 8.8906 8.9285 8.9285 11.3416 11.3416 15.2581 15.2581 15.5582 15.5582 k = 0.2736-0.1580 0.2234 ( 6506 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3324 -39.3324 -39.3312 -39.3312 -36.1335 -36.1335 -36.1190 -36.1190 0.2969 0.2969 5.5757 5.5757 6.0456 6.0456 6.1912 6.1912 6.3716 6.3716 6.7704 6.7704 8.6569 8.6569 8.8556 8.8556 8.8691 8.8691 11.1599 11.1599 15.2757 15.2757 15.6577 15.6577 k = 0.2830-0.1634 0.2311 ( 6506 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3325 -39.3325 -39.3312 -39.3312 -36.1331 -36.1331 -36.1192 -36.1192 0.3311 0.3311 5.5595 5.5595 6.0500 6.0500 6.2049 6.2049 6.3852 6.3852 6.7772 6.7772 8.5844 8.5844 8.7822 8.7822 8.8478 8.8478 10.9809 10.9809 15.2932 15.2932 15.7619 15.7619 k = 0.2925-0.1688 0.2388 ( 6502 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3326 -39.3326 -39.3312 -39.3312 -36.1328 -36.1328 -36.1195 -36.1195 0.3648 0.3648 5.5473 5.5473 6.0543 6.0543 6.2203 6.2203 6.4002 6.4002 6.7840 6.7840 8.5114 8.5114 8.7086 8.7086 8.8262 8.8262 10.8051 10.8051 15.3105 15.3105 15.8707 15.8707 k = 0.3019-0.1743 0.2465 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3327 -39.3327 -39.3312 -39.3312 -36.1325 -36.1325 -36.1197 -36.1197 0.3978 0.3978 5.5392 5.5392 6.0585 6.0585 6.2372 6.2372 6.4164 6.4164 6.7907 6.7907 8.4383 8.4383 8.6349 8.6349 8.8038 8.8038 10.6333 10.6333 15.3275 15.3275 15.9839 15.9839 k = 0.3113-0.1797 0.2542 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3328 -39.3328 -39.3313 -39.3313 -36.1321 -36.1321 -36.1200 -36.1200 0.4300 0.4300 5.5356 5.5356 6.0626 6.0626 6.2556 6.2556 6.4339 6.4339 6.7975 6.7975 8.3652 8.3652 8.5613 8.5613 8.7799 8.7799 10.4664 10.4664 15.3442 15.3442 16.1012 16.1012 k = 0.3208-0.1852 0.2619 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3329 -39.3329 -39.3313 -39.3313 -36.1318 -36.1318 -36.1202 -36.1202 0.4612 0.4612 5.5365 5.5365 6.0665 6.0665 6.2755 6.2755 6.4528 6.4528 6.8042 6.8042 8.2923 8.2923 8.4879 8.4879 8.7538 8.7538 10.3051 10.3051 15.3605 15.3605 16.2224 16.2224 k = 0.3302-0.1906 0.2696 ( 6518 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3329 -39.3329 -39.3313 -39.3313 -36.1315 -36.1315 -36.1204 -36.1204 0.4913 0.4913 5.5421 5.5421 6.0703 6.0703 6.2969 6.2969 6.4731 6.4731 6.8110 6.8110 8.2198 8.2198 8.4148 8.4148 8.7247 8.7247 10.1507 10.1507 15.3764 15.3764 16.3474 16.3474 k = 0.3396-0.1961 0.2773 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3330 -39.3330 -39.3313 -39.3313 -36.1312 -36.1312 -36.1206 -36.1206 0.5202 0.5202 5.5525 5.5525 6.0739 6.0739 6.3197 6.3197 6.4946 6.4946 6.8178 6.8178 8.1477 8.1477 8.3423 8.3423 8.6916 8.6916 10.0042 10.0042 15.3918 15.3918 16.4760 16.4760 k = 0.3491-0.2015 0.2850 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3331 -39.3331 -39.3313 -39.3313 -36.1309 -36.1309 -36.1208 -36.1208 0.5478 0.5478 5.5677 5.5677 6.0773 6.0773 6.3439 6.3439 6.5174 6.5174 6.8246 6.8246 8.0763 8.0763 8.2705 8.2705 8.6531 8.6531 9.8673 9.8673 15.4066 15.4066 16.6079 16.6079 k = 0.3585-0.2070 0.2927 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3314 -39.3314 -36.1307 -36.1307 -36.1210 -36.1210 0.5740 0.5740 5.5876 5.5876 6.0805 6.0805 6.3694 6.3694 6.5415 6.5415 6.8315 6.8315 8.0057 8.0057 8.1994 8.1994 8.6082 8.6082 9.7413 9.7413 15.4208 15.4208 16.7428 16.7428 k = 0.3679-0.2124 0.3004 ( 6542 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1304 -36.1304 -36.1212 -36.1212 0.5987 0.5987 5.6122 5.6122 6.0835 6.0835 6.3961 6.3961 6.5666 6.5666 6.8386 6.8386 7.9359 7.9359 8.1293 8.1293 8.5556 8.5556 9.6277 9.6277 15.4344 15.4344 16.8806 16.8806 k = 0.3774-0.2179 0.3081 ( 6542 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3333 -39.3333 -39.3314 -39.3314 -36.1302 -36.1302 -36.1214 -36.1214 0.6219 0.6219 5.6413 5.6413 6.0863 6.0863 6.4241 6.4241 6.5926 6.5926 6.8460 6.8460 7.8673 7.8673 8.0602 8.0602 8.4945 8.4945 9.5278 9.5278 15.4473 15.4473 17.0210 17.0210 k = 0.3868-0.2233 0.3158 ( 6550 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3333 -39.3333 -39.3314 -39.3314 -36.1299 -36.1299 -36.1215 -36.1215 0.6434 0.6434 5.6748 5.6748 6.0889 6.0889 6.4530 6.4530 6.6193 6.6193 6.8539 6.8539 7.7999 7.7999 7.9923 7.9923 8.4247 8.4247 9.4420 9.4420 15.4594 15.4594 17.1635 17.1635 k = 0.3962-0.2288 0.3235 ( 6542 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3334 -39.3334 -39.3314 -39.3314 -36.1297 -36.1297 -36.1217 -36.1217 0.6633 0.6633 5.7122 5.7122 6.0912 6.0912 6.4829 6.4829 6.6463 6.6463 6.8626 6.8626 7.7339 7.7339 7.9258 7.9258 8.3469 8.3469 9.3701 9.3701 15.4707 15.4707 17.3079 17.3079 k = 0.4057-0.2342 0.3312 ( 6542 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3335 -39.3335 -39.3314 -39.3314 -36.1295 -36.1295 -36.1218 -36.1218 0.6815 0.6815 5.7532 5.7532 6.0934 6.0934 6.5135 6.5135 6.6731 6.6731 6.8725 6.8725 7.6696 7.6696 7.8609 7.8609 8.2628 8.2628 9.3112 9.3112 15.4811 15.4811 17.4536 17.4536 k = 0.4151-0.2397 0.3389 ( 6542 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3335 -39.3335 -39.3315 -39.3315 -36.1293 -36.1293 -36.1220 -36.1220 0.6980 0.6980 5.7973 5.7973 6.0953 6.0953 6.5444 6.5444 6.6990 6.6990 6.8840 6.8840 7.6072 7.6072 7.7976 7.7976 8.1746 8.1746 9.2635 9.2635 15.4907 15.4907 17.6001 17.6001 k = 0.4245-0.2451 0.3466 ( 6538 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3315 -39.3315 -36.1291 -36.1291 -36.1221 -36.1221 0.7127 0.7127 5.8436 5.8436 6.0970 6.0970 6.5754 6.5754 6.7231 6.7231 6.8979 6.8979 7.5472 7.5472 7.7364 7.7364 8.0848 8.0848 9.2254 9.2254 15.4994 15.4994 17.7464 17.7464 k = 0.4340-0.2505 0.3543 ( 6542 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3315 -39.3315 -36.1290 -36.1290 -36.1222 -36.1222 0.7257 0.7257 5.8914 5.8914 6.0985 6.0985 6.6060 6.6060 6.7446 6.7446 6.9148 6.9148 7.4901 7.4901 7.6775 7.6775 7.9960 7.9960 9.1952 9.1952 15.5071 15.5071 17.8916 17.8916 k = 0.4434-0.2560 0.3620 ( 6542 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3315 -39.3315 -36.1289 -36.1289 -36.1223 -36.1223 0.7369 0.7369 5.9393 5.9393 6.0998 6.0998 6.6354 6.6354 6.7626 6.7626 6.9349 6.9349 7.4367 7.4367 7.6215 7.6215 7.9110 7.9110 9.1715 9.1715 15.5139 15.5139 18.0339 18.0339 k = 0.4528-0.2614 0.3697 ( 6522 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3315 -39.3315 -36.1287 -36.1287 -36.1223 -36.1223 0.7464 0.7464 5.9858 5.9858 6.1009 6.1009 6.6629 6.6629 6.7770 6.7770 6.9580 6.9580 7.3880 7.3880 7.5688 7.5688 7.8323 7.8323 9.1531 9.1531 15.5197 15.5197 18.1710 18.1710 k = 0.4623-0.2669 0.3774 ( 6518 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1286 -36.1286 -36.1224 -36.1224 0.7542 0.7542 6.0291 6.0291 6.1018 6.1018 6.6874 6.6874 6.7878 6.7878 6.9830 6.9830 7.3453 7.3453 7.5206 7.5206 7.7625 7.7625 9.1390 9.1390 15.5244 15.5244 18.2995 18.2995 k = 0.4717-0.2723 0.3851 ( 6510 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1285 -36.1285 -36.1225 -36.1225 0.7602 0.7602 6.0668 6.0668 6.1025 6.1025 6.7078 6.7078 6.7956 6.7956 7.0077 7.0077 7.3100 7.3100 7.4784 7.4784 7.7041 7.7041 9.1287 9.1287 15.5281 15.5281 18.4141 18.4141 k = 0.4811-0.2778 0.3928 ( 6518 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1285 -36.1285 -36.1225 -36.1225 0.7645 0.7645 6.0965 6.0965 6.1030 6.1030 6.7230 6.7230 6.8007 6.8007 7.0296 7.0296 7.2837 7.2837 7.4445 7.4445 7.6598 7.6598 9.1217 9.1217 15.5308 15.5308 18.5073 18.5073 k = 0.4906-0.2832 0.4005 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1285 -36.1285 -36.1225 -36.1225 0.7671 0.7671 6.1033 6.1033 6.1155 6.1155 6.7324 6.7324 6.8036 6.8036 7.0450 7.0450 7.2674 7.2674 7.4219 7.4219 7.6321 7.6321 9.1176 9.1176 15.5323 15.5323 18.5695 18.5695 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1285 -36.1285 -36.1225 -36.1225 0.7679 0.7679 6.1034 6.1034 6.1221 6.1221 6.7356 6.7356 6.8046 6.8046 7.0507 7.0507 7.2620 7.2620 7.4139 7.4139 7.6226 7.6226 9.1162 9.1162 15.5329 15.5329 18.5916 18.5916 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1285 -36.1285 -36.1225 -36.1225 0.7679 0.7679 6.1034 6.1034 6.1221 6.1221 6.7356 6.7356 6.8046 6.8046 7.0507 7.0507 7.2620 7.2620 7.4139 7.4139 7.6226 7.6226 9.1162 9.1162 15.5329 15.5329 18.5916 18.5916 k = 0.5000-0.2780 0.4158 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7685 0.7685 6.1021 6.1021 6.1222 6.1222 6.7363 6.7363 6.7984 6.7984 7.0479 7.0479 7.2641 7.2641 7.4121 7.4121 7.6227 7.6227 9.1297 9.1297 15.5339 15.5339 18.5848 18.5848 k = 0.5000-0.2673 0.4234 ( 6520 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7701 0.7701 6.0983 6.0983 6.1221 6.1221 6.7384 6.7384 6.7793 6.7793 7.0407 7.0407 7.2701 7.2701 7.4071 7.4071 7.6228 7.6228 9.1693 9.1693 15.5371 15.5371 18.5617 18.5617 k = 0.5000-0.2566 0.4309 ( 6506 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7729 0.7729 6.0926 6.0926 6.1215 6.1215 6.7412 6.7412 6.7474 6.7474 7.0321 7.0321 7.2787 7.2787 7.4001 7.4001 7.6229 7.6229 9.2333 9.2333 15.5425 15.5425 18.5150 18.5150 k = 0.5000-0.2459 0.4385 ( 6518 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7767 0.7767 6.0854 6.0854 6.1200 6.1200 6.7008 6.7008 6.7465 6.7465 7.0247 7.0247 7.2886 7.2886 7.3922 7.3922 7.6227 7.6227 9.3187 9.3187 15.5500 15.5500 18.4385 18.4385 k = 0.5000-0.2352 0.4460 ( 6522 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1283 -36.1283 -36.1226 -36.1226 0.7816 0.7816 6.0769 6.0769 6.1176 6.1176 6.6435 6.6435 6.7520 6.7520 7.0199 7.0199 7.2990 7.2990 7.3846 7.3846 7.6222 7.6222 9.4228 9.4228 15.5598 15.5598 18.3320 18.3320 k = 0.5000-0.2245 0.4536 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3316 -39.3316 -36.1283 -36.1283 -36.1227 -36.1227 0.7874 0.7874 6.0671 6.0671 6.1141 6.1141 6.5771 6.5771 6.7581 6.7581 7.0180 7.0180 7.3093 7.3093 7.3780 7.3780 7.6212 7.6212 9.5428 9.5428 15.5719 15.5719 18.1998 18.1998 k = 0.5000-0.2138 0.4612 ( 6534 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1282 -36.1282 -36.1228 -36.1228 0.7942 0.7942 6.0563 6.0563 6.1095 6.1095 6.5044 6.5044 6.7647 6.7647 7.0187 7.0187 7.3188 7.3188 7.3732 7.3732 7.6198 7.6198 9.6761 9.6761 15.5865 15.5865 18.0467 18.0467 k = 0.5000-0.2031 0.4687 ( 6538 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1282 -36.1282 -36.1228 -36.1228 0.8018 0.8018 6.0441 6.0441 6.1038 6.1038 6.4282 6.4282 6.7715 6.7715 7.0219 7.0219 7.3270 7.3270 7.3706 7.3706 7.6180 7.6180 9.8208 9.8208 15.6036 15.6036 17.8767 17.8767 k = 0.5000-0.1925 0.4763 ( 6532 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1281 -36.1281 -36.1229 -36.1229 0.8101 0.8101 6.0301 6.0301 6.0970 6.0970 6.3514 6.3514 6.7782 6.7782 7.0270 7.0270 7.3331 7.3331 7.3708 7.3708 7.6158 7.6158 9.9752 9.9752 15.6234 15.6234 17.6930 17.6930 k = 0.5000-0.1818 0.4838 ( 6544 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1280 -36.1280 -36.1230 -36.1230 0.8191 0.8191 6.0135 6.0135 6.0886 6.0886 6.2771 6.2771 6.7847 6.7847 7.0341 7.0341 7.3368 7.3368 7.3741 7.3741 7.6133 7.6133 10.1380 10.1380 15.6460 15.6460 17.4982 17.4982 k = 0.5000-0.1711 0.4914 ( 6548 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3317 -39.3317 -36.1279 -36.1279 -36.1231 -36.1231 0.8287 0.8287 5.9919 5.9919 6.0781 6.0781 6.2097 6.2097 6.7907 6.7907 7.0427 7.0427 7.3386 7.3386 7.3797 7.3797 7.6106 7.6106 10.3082 10.3082 15.6714 15.6714 17.2944 17.2944 k = 0.5000-0.1604 0.4990 ( 6552 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3317 -39.3317 -36.1278 -36.1278 -36.1232 -36.1232 0.8387 0.8387 5.9615 5.9615 6.0646 6.0646 6.1555 6.1555 6.7962 6.7962 7.0527 7.0527 7.3396 7.3396 7.3864 7.3864 7.6076 7.6076 10.4848 10.4848 15.7000 15.7000 17.0833 17.0833 k = 0.5000-0.1497 0.5065 ( 6554 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3317 -39.3317 -36.1277 -36.1277 -36.1233 -36.1233 0.8490 0.8490 5.9183 5.9183 6.0480 6.0480 6.1192 6.1192 6.8011 6.8011 7.0638 7.0638 7.3403 7.3403 7.3934 7.3934 7.6044 7.6044 10.6673 10.6673 15.7316 15.7316 16.8663 16.8663 k = 0.5000-0.1390 0.5141 ( 6566 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3318 -39.3318 -36.1276 -36.1276 -36.1235 -36.1235 0.8596 0.8596 5.8639 5.8639 6.0312 6.0312 6.0976 6.0976 6.8055 6.8055 7.0758 7.0758 7.3412 7.3412 7.4003 7.4003 7.6010 7.6010 10.8550 10.8550 15.7665 15.7665 16.6446 16.6446 k = 0.5000-0.1283 0.5217 ( 6558 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3334 -39.3334 -39.3318 -39.3318 -36.1275 -36.1275 -36.1236 -36.1236 0.8701 0.8701 5.8037 5.8037 6.0166 6.0166 6.0837 6.0837 6.8092 6.8092 7.0884 7.0884 7.3423 7.3423 7.4067 7.4067 7.5976 7.5976 11.0475 11.0475 15.8045 15.8045 16.4196 16.4196 k = 0.5000-0.1176 0.5292 ( 6560 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3334 -39.3334 -39.3318 -39.3318 -36.1273 -36.1273 -36.1237 -36.1237 0.8806 0.8806 5.7426 5.7426 6.0042 6.0042 6.0732 6.0732 6.8124 6.8124 7.1014 7.1014 7.3437 7.3437 7.4125 7.4125 7.5941 7.5941 11.2444 11.2444 15.8447 15.8447 16.1930 16.1930 k = 0.5000-0.1069 0.5368 ( 6564 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3334 -39.3334 -39.3318 -39.3318 -36.1272 -36.1272 -36.1239 -36.1239 0.8908 0.8908 5.6831 5.6831 5.9936 5.9936 6.0646 6.0646 6.8152 6.8152 7.1144 7.1144 7.3455 7.3455 7.4175 7.4175 7.5906 7.5906 11.4453 11.4453 15.8747 15.8747 15.9783 15.9783 k = 0.5000-0.0962 0.5443 ( 6574 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1271 -36.1271 -36.1240 -36.1240 0.9006 0.9006 5.6271 5.6271 5.9845 5.9845 6.0570 6.0570 6.8175 6.8175 7.1272 7.1272 7.3475 7.3475 7.4218 7.4218 7.5872 7.5872 11.6499 11.6499 15.7163 15.7163 15.9541 15.9541 k = 0.5000-0.0855 0.5519 ( 6574 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1269 -36.1269 -36.1242 -36.1242 0.9098 0.9098 5.5753 5.5753 5.9765 5.9765 6.0503 6.0503 6.8194 6.8194 7.1396 7.1396 7.3497 7.3497 7.4253 7.4253 7.5839 7.5839 11.8579 11.8579 15.4866 15.4866 16.0042 16.0042 k = 0.5000-0.0748 0.5595 ( 6574 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1268 -36.1268 -36.1243 -36.1243 0.9184 0.9184 5.5286 5.5286 5.9696 5.9696 6.0444 6.0444 6.8210 6.8210 7.1512 7.1512 7.3521 7.3521 7.4281 7.4281 7.5809 7.5809 12.0692 12.0692 15.2533 15.2533 16.0614 16.0614 k = 0.5000-0.0642 0.5670 ( 6580 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1266 -36.1266 -36.1245 -36.1245 0.9262 0.9262 5.4873 5.4873 5.9637 5.9637 6.0393 6.0393 6.8223 6.8223 7.1618 7.1618 7.3545 7.3545 7.4300 7.4300 7.5781 7.5781 12.2835 12.2835 15.0191 15.0191 16.1235 16.1235 k = 0.5000-0.0535 0.5746 ( 6592 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1265 -36.1265 -36.1246 -36.1246 0.9330 0.9330 5.4518 5.4518 5.9587 5.9587 6.0349 6.0349 6.8234 6.8234 7.1712 7.1712 7.3570 7.3570 7.4313 7.4313 7.5756 7.5756 12.5006 12.5006 14.7848 14.7848 16.1901 16.1901 k = 0.5000-0.0428 0.5821 ( 6588 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1263 -36.1263 -36.1248 -36.1248 0.9387 0.9387 5.4224 5.4224 5.9546 5.9546 6.0312 6.0312 6.8242 6.8242 7.1791 7.1791 7.3593 7.3593 7.4321 7.4321 7.5735 7.5735 12.7202 12.7202 14.5509 14.5509 16.2613 16.2613 k = 0.5000-0.0321 0.5897 ( 6592 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1262 -36.1262 -36.1249 -36.1249 0.9433 0.9433 5.3993 5.3993 5.9515 5.9515 6.0284 6.0284 6.8248 6.8248 7.1855 7.1855 7.3614 7.3614 7.4324 7.4324 7.5718 7.5718 12.9421 12.9421 14.3177 14.3177 16.3370 16.3370 k = 0.5000-0.0214 0.5973 ( 6596 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1260 -36.1260 -36.1251 -36.1251 0.9466 0.9466 5.3827 5.3827 5.9492 5.9492 6.0263 6.0263 6.8252 6.8252 7.1902 7.1902 7.3630 7.3630 7.4324 7.4324 7.5706 7.5706 13.1659 13.1659 14.0858 14.0858 16.4171 16.4171 k = 0.5000-0.0107 0.6048 ( 6596 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9486 0.9486 5.3727 5.3727 5.9479 5.9479 6.0251 6.0251 6.8255 6.8255 7.1930 7.1930 7.3640 7.3640 7.4324 7.4324 7.5699 7.5699 13.3905 13.3905 13.8562 13.8562 16.5011 16.5011 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9493 0.9493 5.3693 5.3693 5.9474 5.9474 6.0247 6.0247 6.8256 6.8256 7.1940 7.1940 7.3644 7.3644 7.4324 7.4324 7.5696 7.5696 13.5811 13.5811 13.6640 13.6640 16.5733 16.5733 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9493 0.9493 5.3693 5.3693 5.9474 5.9474 6.0247 6.0247 6.8256 6.8256 7.1940 7.1940 7.3644 7.3644 7.4324 7.4324 7.5696 7.5696 13.5811 13.5811 13.6640 13.6640 16.5733 16.5733 k = 0.4934 0.0114 0.6124 ( 6598 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9489 0.9489 5.3695 5.3695 5.9473 5.9473 6.0247 6.0247 6.8245 6.8245 7.1881 7.1881 7.3527 7.3527 7.4483 7.4483 7.5761 7.5761 13.4530 13.4530 13.7918 13.7918 16.5284 16.5284 k = 0.4868 0.0228 0.6124 ( 6600 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1260 -36.1260 -36.1251 -36.1251 0.9478 0.9478 5.3700 5.3700 5.9471 5.9471 6.0250 6.0250 6.8216 6.8216 7.1709 7.1709 7.3323 7.3323 7.4780 7.4780 7.5978 7.5978 13.2891 13.2891 13.9554 13.9554 16.4757 16.4757 k = 0.4803 0.0342 0.6124 ( 6596 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1260 -36.1260 -36.1251 -36.1251 0.9461 0.9461 5.3708 5.3708 5.9469 5.9469 6.0254 6.0254 6.8170 6.8170 7.1439 7.1439 7.3160 7.3160 7.5025 7.5025 7.6389 7.6389 13.1223 13.1223 14.1225 14.1225 16.4286 16.4286 k = 0.4737 0.0456 0.6124 ( 6586 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1261 -36.1261 -36.1250 -36.1250 0.9439 0.9439 5.3719 5.3719 5.9467 5.9467 6.0261 6.0261 6.8110 6.8110 7.1101 7.1101 7.3059 7.3059 7.5183 7.5183 7.6972 7.6972 12.9550 12.9550 14.2918 14.2918 16.3874 16.3874 k = 0.4671 0.0570 0.6124 ( 6580 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1262 -36.1262 -36.1249 -36.1249 0.9413 0.9413 5.3731 5.3731 5.9467 5.9467 6.0270 6.0270 6.8040 6.8040 7.0724 7.0724 7.3004 7.3004 7.5289 7.5289 7.7670 7.7670 12.7884 12.7884 14.4627 14.4627 16.3516 16.3516 k = 0.4605 0.0684 0.6124 ( 6575 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1263 -36.1263 -36.1248 -36.1248 0.9385 0.9385 5.3745 5.3745 5.9468 5.9468 6.0282 6.0282 6.7961 6.7961 7.0333 7.0333 7.2981 7.2981 7.5368 7.5368 7.8438 7.8438 12.6235 12.6235 14.6346 14.6346 16.3211 16.3211 k = 0.4539 0.0798 0.6124 ( 6561 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1263 -36.1263 -36.1248 -36.1248 0.9354 0.9354 5.3759 5.3759 5.9472 5.9472 6.0297 6.0297 6.7877 6.7877 6.9943 6.9943 7.2978 7.2978 7.5434 7.5434 7.9254 7.9254 12.4612 12.4612 14.8072 14.8072 16.2956 16.2956 k = 0.4474 0.0912 0.6124 ( 6553 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1264 -36.1264 -36.1247 -36.1247 0.9322 0.9322 5.3774 5.3774 5.9478 5.9478 6.0316 6.0316 6.7788 6.7788 6.9566 6.9566 7.2988 7.2988 7.5491 7.5491 8.0101 8.0101 12.3026 12.3026 14.9797 14.9797 16.2754 16.2754 k = 0.4408 0.1026 0.6124 ( 6561 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1264 -36.1264 -36.1247 -36.1247 0.9290 0.9290 5.3789 5.3789 5.9485 5.9485 6.0340 6.0340 6.7694 6.7694 6.9209 6.9209 7.3005 7.3005 7.5541 7.5541 8.0966 8.0966 12.1488 12.1488 15.1510 15.1510 16.2611 16.2611 k = 0.4342 0.1140 0.6124 ( 6562 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1265 -36.1265 -36.1246 -36.1246 0.9258 0.9258 5.3803 5.3803 5.9494 5.9494 6.0367 6.0367 6.7596 6.7596 6.8879 6.8879 7.3027 7.3027 7.5586 7.5586 8.1835 8.1835 12.0009 12.0009 15.3194 15.3194 16.2538 16.2538 k = 0.4276 0.1253 0.6124 ( 6564 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1266 -36.1266 -36.1246 -36.1246 0.9228 0.9228 5.3816 5.3816 5.9504 5.9504 6.0399 6.0399 6.7491 6.7491 6.8584 6.8584 7.3051 7.3051 7.5626 7.5626 8.2696 8.2696 11.8603 11.8603 15.4818 15.4818 16.2561 16.2561 k = 0.4211 0.1367 0.6124 ( 6559 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1266 -36.1266 -36.1245 -36.1245 0.9200 0.9200 5.3828 5.3828 5.9514 5.9514 6.0434 6.0434 6.7377 6.7377 6.8331 6.8331 7.3075 7.3075 7.5661 7.5661 8.3533 8.3533 11.7284 11.7284 15.6328 15.6328 16.2732 16.2732 k = 0.4145 0.1481 0.6124 ( 6550 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1266 -36.1266 -36.1245 -36.1245 0.9174 0.9174 5.3838 5.3838 5.9524 5.9524 6.0470 6.0470 6.7254 6.7254 6.8125 6.8125 7.3098 7.3098 7.5692 7.5692 8.4328 8.4328 11.6071 11.6071 15.7631 15.7631 16.3137 16.3137 k = 0.4079 0.1595 0.6124 ( 6544 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1267 -36.1267 -36.1244 -36.1244 0.9151 0.9151 5.3847 5.3847 5.9533 5.9533 6.0507 6.0507 6.7124 6.7124 6.7966 6.7966 7.3119 7.3119 7.5718 7.5718 8.5061 8.5061 11.4983 11.4983 15.8617 15.8617 16.3881 16.3881 k = 0.4013 0.1709 0.6124 ( 6538 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9132 0.9132 5.3854 5.3854 5.9540 5.9540 6.0542 6.0542 6.6997 6.6997 6.7850 6.7850 7.3138 7.3138 7.5739 7.5739 8.5711 8.5711 11.4044 11.4044 15.9247 15.9247 16.4997 16.4997 k = 0.3947 0.1823 0.6124 ( 6538 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9117 0.9117 5.3860 5.3860 5.9546 5.9546 6.0572 6.0572 6.6884 6.6884 6.7769 6.7769 7.3152 7.3152 7.5756 7.5756 8.6252 8.6252 11.3278 11.3278 15.9602 15.9602 16.6395 16.6395 k = 0.3882 0.1937 0.6124 ( 6542 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9105 0.9105 5.3864 5.3864 5.9551 5.9551 6.0596 6.0596 6.6796 6.6796 6.7716 6.7716 7.3163 7.3163 7.5768 7.5768 8.6660 8.6660 11.2708 11.2708 15.9789 15.9789 16.7951 16.7951 k = 0.3816 0.2051 0.6124 ( 6541 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9099 0.9099 5.3866 5.3866 5.9553 5.9553 6.0612 6.0612 6.6741 6.6741 6.7686 6.7686 7.3170 7.3170 7.5775 7.5775 8.6915 8.6915 11.2356 11.2356 15.9879 15.9879 16.9537 16.9537 k = 0.3750 0.2165 0.6124 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9096 0.9096 5.3867 5.3867 5.9554 5.9554 6.0617 6.0617 6.6722 6.6722 6.7676 6.7676 7.3172 7.3172 7.5778 7.5778 8.7002 8.7002 11.2237 11.2237 15.9905 15.9905 17.0591 17.0591 k = 0.3750 0.2165 0.6124 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9096 0.9096 5.3867 5.3867 5.9554 5.9554 6.0617 6.0617 6.6722 6.6722 6.7676 6.7676 7.3172 7.3172 7.5778 7.5778 8.7002 8.7002 11.2237 11.2237 15.9905 15.9905 17.0591 17.0591 k = 0.3683 0.2126 0.6014 ( 6551 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1266 -36.1266 -36.1246 -36.1246 0.9174 0.9174 5.3128 5.3128 5.9422 5.9422 6.0370 6.0370 6.6798 6.6798 6.7635 6.7635 7.3493 7.3493 7.5786 7.5786 8.7987 8.7987 11.3431 11.3431 16.0276 16.0276 16.9347 16.9347 k = 0.3616 0.2088 0.5905 ( 6547 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1264 -36.1264 -36.1248 -36.1248 0.9238 0.9238 5.2423 5.2423 5.9284 5.9284 6.0150 6.0150 6.6878 6.6878 6.7604 6.7604 7.3797 7.3797 7.5830 7.5830 8.8985 8.8985 11.4573 11.4573 16.0537 16.0537 16.8038 16.8038 k = 0.3549 0.2049 0.5796 ( 6559 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1262 -36.1262 -36.1250 -36.1250 0.9288 0.9288 5.1759 5.1759 5.9141 5.9141 5.9959 5.9959 6.6942 6.6942 6.7598 6.7598 7.4064 7.4064 7.5927 7.5927 8.9995 8.9995 11.5661 11.5661 16.0636 16.0636 16.6685 16.6685 k = 0.3482 0.2010 0.5686 ( 6561 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1260 -36.1260 -36.1252 -36.1252 0.9319 0.9319 5.1143 5.1143 5.8993 5.8993 5.9796 5.9796 6.6972 6.6972 6.7632 6.7632 7.4276 7.4276 7.6096 7.6096 9.1017 9.1017 11.6692 11.6692 16.0537 16.0537 16.5309 16.5309 k = 0.3415 0.1972 0.5577 ( 6557 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1259 -36.1259 -36.1253 -36.1253 0.9332 0.9332 5.0578 5.0578 5.8843 5.8843 5.9658 5.9658 6.6957 6.6957 6.7713 6.7713 7.4423 7.4423 7.6348 7.6348 9.2049 9.2049 11.7665 11.7665 16.0233 16.0233 16.3926 16.3926 k = 0.3348 0.1933 0.5468 ( 6557 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3331 -39.3331 -39.3319 -39.3319 -36.1260 -36.1260 -36.1252 -36.1252 0.9322 0.9322 5.0069 5.0069 5.8694 5.8694 5.9541 5.9541 6.6905 6.6905 6.7829 6.7829 7.4512 7.4512 7.6677 7.6677 9.3090 9.3090 11.8581 11.8581 15.9746 15.9746 16.2552 16.2552 k = 0.3281 0.1894 0.5358 ( 6557 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3331 -39.3331 -39.3318 -39.3318 -36.1262 -36.1262 -36.1251 -36.1251 0.9288 0.9288 4.9620 4.9620 5.8551 5.8551 5.9443 5.9443 6.6829 6.6829 6.7967 6.7967 7.4559 7.4559 7.7065 7.7065 9.4139 9.4139 11.9440 11.9440 15.9105 15.9105 16.1208 16.1208 k = 0.3214 0.1856 0.5249 ( 6565 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3318 -39.3318 -36.1265 -36.1265 -36.1249 -36.1249 0.9229 0.9229 4.9233 4.9233 5.8417 5.8417 5.9359 5.9359 6.6737 6.6737 6.8114 6.8114 7.4582 7.4582 7.7499 7.7499 9.5195 9.5195 12.0244 12.0244 15.8319 15.8319 15.9931 15.9931 k = 0.3147 0.1817 0.5140 ( 6553 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3318 -39.3318 -36.1267 -36.1267 -36.1246 -36.1246 0.9143 0.9143 4.8910 4.8910 5.8294 5.8294 5.9289 5.9289 6.6634 6.6634 6.8264 6.8264 7.4592 7.4592 7.7966 7.7966 9.6255 9.6255 12.0996 12.0996 15.7366 15.7366 15.8780 15.8780 k = 0.3080 0.1778 0.5030 ( 6549 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3330 -39.3330 -39.3318 -39.3318 -36.1270 -36.1270 -36.1244 -36.1244 0.9030 0.9030 4.8652 4.8652 5.8185 5.8185 5.9230 5.9230 6.6523 6.6523 6.8409 6.8409 7.4600 7.4600 7.8458 7.8458 9.7319 9.7319 12.1699 12.1699 15.6243 15.6243 15.7784 15.7784 k = 0.3013 0.1740 0.4921 ( 6541 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3330 -39.3330 -39.3318 -39.3318 -36.1273 -36.1273 -36.1241 -36.1241 0.8888 0.8888 4.8461 4.8461 5.8090 5.8090 5.9181 5.9181 6.6405 6.6405 6.8547 6.8547 7.4612 7.4612 7.8972 7.8972 9.8383 9.8383 12.2358 12.2358 15.5008 15.5008 15.6905 15.6905 k = 0.2946 0.1701 0.4811 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3330 -39.3330 -39.3317 -39.3317 -36.1276 -36.1276 -36.1239 -36.1239 0.8717 0.8717 4.8336 4.8336 5.8010 5.8010 5.9141 5.9141 6.6282 6.6282 6.8672 6.8672 7.4633 7.4633 7.9504 7.9504 9.9446 9.9446 12.2977 12.2977 15.3731 15.3731 15.6089 15.6089 k = 0.2879 0.1662 0.4702 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3330 -39.3330 -39.3317 -39.3317 -36.1279 -36.1279 -36.1236 -36.1236 0.8518 0.8518 4.8277 4.8277 5.7946 5.7946 5.9110 5.9110 6.6155 6.6155 6.8781 6.8781 7.4667 7.4667 8.0051 8.0051 10.0504 10.0504 12.3561 12.3561 15.2447 15.2447 15.5309 15.5309 k = 0.2812 0.1624 0.4593 ( 6541 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3329 -39.3329 -39.3317 -39.3317 -36.1283 -36.1283 -36.1233 -36.1233 0.8291 0.8291 4.8282 4.8282 5.7897 5.7897 5.9088 5.9088 6.6024 6.6024 6.8872 6.8872 7.4718 7.4718 8.0611 8.0611 10.1554 10.1554 12.4115 12.4115 15.1178 15.1178 15.4557 15.4557 k = 0.2746 0.1585 0.4483 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3329 -39.3329 -39.3316 -39.3316 -36.1286 -36.1286 -36.1230 -36.1230 0.8038 0.8038 4.8352 4.8352 5.7865 5.7865 5.9074 5.9074 6.5889 6.5889 6.8941 6.8941 7.4789 7.4789 8.1184 8.1184 10.2592 10.2592 12.4644 12.4644 14.9936 14.9936 15.3827 15.3827 k = 0.2679 0.1546 0.4374 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3329 -39.3329 -39.3316 -39.3316 -36.1290 -36.1290 -36.1227 -36.1227 0.7759 0.7759 4.8482 4.8482 5.7849 5.7849 5.9069 5.9069 6.5752 6.5752 6.8988 6.8988 7.4883 7.4883 8.1769 8.1769 10.3615 10.3615 12.5152 12.5152 14.8730 14.8730 15.3117 15.3117 k = 0.2612 0.1508 0.4265 ( 6541 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3328 -39.3328 -39.3315 -39.3315 -36.1293 -36.1293 -36.1225 -36.1225 0.7457 0.7457 4.8670 4.8670 5.7849 5.7849 5.9071 5.9071 6.5613 6.5613 6.9011 6.9011 7.5000 7.5000 8.2363 8.2363 10.4615 10.4615 12.5644 12.5644 14.7568 14.7568 15.2427 15.2427 k = 0.2545 0.1469 0.4155 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3328 -39.3328 -39.3315 -39.3315 -36.1297 -36.1297 -36.1222 -36.1222 0.7133 0.7133 4.8914 4.8914 5.7864 5.7864 5.9083 5.9083 6.5472 6.5472 6.9009 6.9009 7.5143 7.5143 8.2967 8.2967 10.5588 10.5588 12.6124 12.6124 14.6460 14.6460 15.1755 15.1755 k = 0.2478 0.1430 0.4046 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3328 -39.3328 -39.3315 -39.3315 -36.1301 -36.1301 -36.1219 -36.1219 0.6789 0.6789 4.9210 4.9210 5.7895 5.7895 5.9103 5.9103 6.5329 6.5329 6.8984 6.8984 7.5312 7.5312 8.3579 8.3579 10.6525 10.6525 12.6595 12.6595 14.5414 14.5414 15.1101 15.1101 k = 0.2411 0.1392 0.3937 ( 6537 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3327 -39.3327 -39.3314 -39.3314 -36.1304 -36.1304 -36.1216 -36.1216 0.6428 0.6428 4.9554 4.9554 5.7939 5.7939 5.9132 5.9132 6.5186 6.5186 6.8936 6.8936 7.5507 7.5507 8.4198 8.4198 10.7418 10.7418 12.7062 12.7062 14.4439 14.4439 15.0465 15.0465 k = 0.2344 0.1353 0.3827 ( 6535 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3327 -39.3327 -39.3314 -39.3314 -36.1308 -36.1308 -36.1213 -36.1213 0.6052 0.6052 4.9942 4.9942 5.7997 5.7997 5.9171 5.9171 6.5043 6.5043 6.8867 6.8867 7.5728 7.5728 8.4823 8.4823 10.8258 10.8258 12.7526 12.7526 14.3548 14.3548 14.9844 14.9844 k = 0.2277 0.1315 0.3718 ( 6533 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3326 -39.3326 -39.3313 -39.3313 -36.1312 -36.1312 -36.1210 -36.1210 0.5664 0.5664 5.0370 5.0370 5.8066 5.8066 5.9220 5.9220 6.4900 6.4900 6.8779 6.8779 7.5975 7.5975 8.5454 8.5454 10.9035 10.9035 12.7990 12.7990 14.2751 14.2751 14.9239 14.9239 k = 0.2210 0.1276 0.3609 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3326 -39.3326 -39.3313 -39.3313 -36.1316 -36.1316 -36.1207 -36.1207 0.5265 0.5265 5.0832 5.0832 5.8146 5.8146 5.9281 5.9281 6.4757 6.4757 6.8673 6.8673 7.6249 7.6249 8.6089 8.6089 10.9735 10.9735 12.8455 12.8455 14.2062 14.2062 14.8648 14.8648 k = 0.2143 0.1237 0.3499 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3325 -39.3325 -39.3313 -39.3313 -36.1320 -36.1320 -36.1204 -36.1204 0.4858 0.4858 5.1324 5.1324 5.8236 5.8236 5.9355 5.9355 6.4616 6.4616 6.8554 6.8554 7.6548 7.6548 8.6727 8.6727 11.0348 11.0348 12.8921 12.8921 14.1493 14.1493 14.8071 14.8071 k = 0.2076 0.1199 0.3390 ( 6513 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3325 -39.3325 -39.3312 -39.3312 -36.1324 -36.1324 -36.1200 -36.1200 0.4445 0.4445 5.1841 5.1841 5.8331 5.8331 5.9443 5.9443 6.4477 6.4477 6.8421 6.8421 7.6874 7.6874 8.7367 8.7367 11.0861 11.0861 12.9388 12.9388 14.1056 14.1056 14.7508 14.7508 k = 0.2009 0.1160 0.3281 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3324 -39.3324 -39.3312 -39.3312 -36.1328 -36.1328 -36.1197 -36.1197 0.4029 0.4029 5.2378 5.2378 5.8431 5.8431 5.9547 5.9547 6.4340 6.4340 6.8279 6.8279 7.7227 7.7227 8.8008 8.8008 11.1264 11.1264 12.9856 12.9856 14.0763 14.0763 14.6958 14.6958 k = 0.1942 0.1121 0.3171 ( 6521 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3323 -39.3323 -39.3312 -39.3312 -36.1332 -36.1332 -36.1194 -36.1194 0.3611 0.3611 5.2929 5.2929 5.8534 5.8534 5.9670 5.9670 6.4206 6.4206 6.8129 6.8129 7.7609 7.7609 8.8648 8.8648 11.1549 11.1549 13.0321 13.0321 14.0623 14.0623 14.6422 14.6422 k = 0.1875 0.1083 0.3062 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3323 -39.3323 -39.3311 -39.3311 -36.1335 -36.1335 -36.1192 -36.1192 0.3194 0.3194 5.3487 5.3487 5.8635 5.8635 5.9811 5.9811 6.4076 6.4076 6.7973 6.7973 7.8021 7.8021 8.9286 8.9286 11.1710 11.1710 13.0780 13.0780 14.0640 14.0640 14.5903 14.5903 k = 0.1808 0.1044 0.2953 ( 6521 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3322 -39.3322 -39.3311 -39.3311 -36.1339 -36.1339 -36.1189 -36.1189 0.2778 0.2778 5.4048 5.4048 5.8735 5.8735 5.9974 5.9974 6.3951 6.3951 6.7814 6.7814 7.8464 7.8464 8.9921 8.9921 11.1747 11.1747 13.1229 13.1229 14.0814 14.0814 14.5402 14.5402 k = 0.1741 0.1005 0.2843 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3321 -39.3321 -39.3311 -39.3311 -36.1343 -36.1343 -36.1186 -36.1186 0.2367 0.2367 5.4605 5.4605 5.8832 5.8832 6.0158 6.0158 6.3831 6.3831 6.7653 6.7653 7.8942 7.8942 9.0550 9.0550 11.1665 11.1665 13.1658 13.1658 14.1141 14.1141 14.4926 14.4926 k = 0.1674 0.0967 0.2734 ( 6529 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3320 -39.3320 -39.3310 -39.3310 -36.1347 -36.1347 -36.1183 -36.1183 0.1961 0.1961 5.5152 5.5152 5.8924 5.8924 6.0362 6.0362 6.3717 6.3717 6.7492 6.7492 7.9454 7.9454 9.1173 9.1173 11.1469 11.1469 13.2058 13.2058 14.1612 14.1612 14.4483 14.4483 k = 0.1607 0.0928 0.2624 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3320 -39.3320 -39.3310 -39.3310 -36.1351 -36.1351 -36.1180 -36.1180 0.1562 0.1562 5.5683 5.5683 5.9012 5.9012 6.0588 6.0588 6.3610 6.3610 6.7335 6.7335 8.0005 8.0005 9.1788 9.1788 11.1172 11.1172 13.2414 13.2414 14.2212 14.2212 14.4088 14.4088 k = 0.1540 0.0889 0.2515 ( 6521 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3319 -39.3319 -39.3310 -39.3310 -36.1354 -36.1354 -36.1177 -36.1177 0.1171 0.1171 5.6191 5.6191 5.9095 5.9095 6.0832 6.0832 6.3512 6.3512 6.7182 6.7182 8.0595 8.0595 9.2392 9.2392 11.0786 11.0786 13.2708 13.2708 14.2899 14.2899 14.3780 14.3780 k = 0.1473 0.0851 0.2406 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3318 -39.3318 -39.3309 -39.3309 -36.1358 -36.1358 -36.1175 -36.1175 0.0789 0.0789 5.6671 5.6671 5.9175 5.9175 6.1093 6.1093 6.3424 6.3424 6.7035 6.7035 8.1227 8.1227 9.2984 9.2984 11.0326 11.0326 13.2919 13.2919 14.3286 14.3286 14.3950 14.3950 k = 0.1406 0.0812 0.2296 ( 6515 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3317 -39.3317 -39.3309 -39.3309 -36.1362 -36.1362 -36.1172 -36.1172 0.0418 0.0418 5.7119 5.7119 5.9250 5.9250 6.1367 6.1367 6.3349 6.3349 6.6897 6.6897 8.1903 8.1903 9.3563 9.3563 10.9804 10.9804 13.3023 13.3023 14.3170 14.3170 14.4803 14.4803 k = 0.1339 0.0773 0.2187 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3317 -39.3317 -39.3309 -39.3309 -36.1365 -36.1365 -36.1169 -36.1169 0.0059 0.0059 5.7531 5.7531 5.9320 5.9320 6.1650 6.1650 6.3289 6.3289 6.6769 6.6769 8.2623 8.2623 9.4126 9.4126 10.9234 10.9234 13.2999 13.2999 14.3091 14.3091 14.5795 14.5795 k = 0.1272 0.0735 0.2078 ( 6515 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3316 -39.3316 -39.3309 -39.3309 -36.1368 -36.1368 -36.1167 -36.1167 -0.0288 -0.0288 5.7903 5.7903 5.9387 5.9387 6.1932 6.1932 6.3252 6.3252 6.6653 6.6653 8.3388 8.3388 9.4671 9.4671 10.8629 10.8629 13.2833 13.2833 14.3114 14.3114 14.6837 14.6837 k = 0.1205 0.0696 0.1968 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3315 -39.3315 -39.3309 -39.3309 -36.1372 -36.1372 -36.1165 -36.1165 -0.0621 -0.0621 5.8235 5.8235 5.9449 5.9449 6.2199 6.2199 6.3248 6.3248 6.6551 6.6551 8.4198 8.4198 9.5197 9.5197 10.7999 10.7999 13.2518 13.2518 14.3245 14.3245 14.7766 14.7766 k = 0.1138 0.0657 0.1859 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3314 -39.3314 -39.3308 -39.3308 -36.1375 -36.1375 -36.1162 -36.1162 -0.0941 -0.0941 5.8526 5.8526 5.9506 5.9506 6.2425 6.2425 6.3300 6.3300 6.6464 6.6464 8.5052 8.5052 9.5701 9.5701 10.7356 10.7356 13.2059 13.2059 14.3476 14.3476 14.8016 14.8016 k = 0.1071 0.0619 0.1750 ( 6521 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3314 -39.3314 -39.3308 -39.3308 -36.1378 -36.1378 -36.1160 -36.1160 -0.1245 -0.1245 5.8777 5.8777 5.9558 5.9558 6.2580 6.2580 6.3434 6.3434 6.6392 6.6392 8.5950 8.5950 9.6183 9.6183 10.6707 10.6707 13.1468 13.1468 14.3792 14.3792 14.7917 14.7917 k = 0.1004 0.0580 0.1640 ( 6513 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3313 -39.3313 -39.3308 -39.3308 -36.1381 -36.1381 -36.1158 -36.1158 -0.1534 -0.1534 5.8990 5.8990 5.9605 5.9605 6.2662 6.2662 6.3648 6.3648 6.6337 6.6337 8.6888 8.6888 9.6640 9.6640 10.6062 10.6062 13.0760 13.0760 14.4174 14.4174 14.7812 14.7812 k = 0.0938 0.0541 0.1531 ( 6517 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3312 -39.3312 -39.3308 -39.3308 -36.1383 -36.1383 -36.1156 -36.1156 -0.1806 -0.1806 5.9168 5.9168 5.9647 5.9647 6.2698 6.2698 6.3909 6.3909 6.6297 6.6297 8.7863 8.7863 9.7070 9.7070 10.5429 10.5429 12.9950 12.9950 14.4601 14.4601 14.7747 14.7747 k = 0.0871 0.0503 0.1422 ( 6517 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3312 -39.3312 -39.3308 -39.3308 -36.1386 -36.1386 -36.1154 -36.1154 -0.2062 -0.2062 5.9315 5.9315 5.9684 5.9684 6.2712 6.2712 6.4191 6.4191 6.6273 6.6273 8.8870 8.8870 9.7473 9.7473 10.4813 10.4813 12.9056 12.9056 14.5056 14.5056 14.7732 14.7732 k = 0.0804 0.0464 0.1312 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3311 -39.3311 -39.3308 -39.3308 -36.1389 -36.1389 -36.1153 -36.1153 -0.2301 -0.2301 5.9434 5.9434 5.9715 5.9715 6.2717 6.2717 6.4475 6.4475 6.6262 6.6262 8.9905 8.9905 9.7846 9.7846 10.4224 10.4224 12.8092 12.8092 14.5522 14.5522 14.7768 14.7768 k = 0.0737 0.0425 0.1203 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3310 -39.3310 -39.3308 -39.3308 -36.1391 -36.1391 -36.1151 -36.1151 -0.2522 -0.2522 5.9529 5.9529 5.9740 5.9740 6.2719 6.2719 6.4754 6.4754 6.6264 6.6264 9.0959 9.0959 9.8190 9.8190 10.3666 10.3666 12.7072 12.7072 14.5986 14.5986 14.7853 14.7853 k = 0.0670 0.0387 0.1094 ( 6515 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3310 -39.3310 -39.3307 -39.3307 -36.1393 -36.1393 -36.1150 -36.1150 -0.2725 -0.2725 5.9603 5.9603 5.9761 5.9761 6.2719 6.2719 6.5022 6.5022 6.6276 6.6276 9.2022 9.2022 9.8504 9.8504 10.3148 10.3148 12.6011 12.6011 14.6436 14.6436 14.7982 14.7982 k = 0.0603 0.0348 0.0984 ( 6513 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3309 -39.3309 -39.3307 -39.3307 -36.1395 -36.1395 -36.1148 -36.1148 -0.2909 -0.2909 5.9660 5.9660 5.9777 5.9777 6.2718 6.2718 6.5274 6.5274 6.6295 6.6295 9.3083 9.3083 9.8787 9.8787 10.2675 10.2675 12.4925 12.4925 14.6864 14.6864 14.8147 14.8147 k = 0.0536 0.0309 0.0875 ( 6505 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3309 -39.3309 -39.3307 -39.3307 -36.1396 -36.1396 -36.1147 -36.1147 -0.3075 -0.3075 5.9704 5.9704 5.9789 5.9789 6.2718 6.2718 6.5509 6.5509 6.6319 6.6319 9.4125 9.4125 9.9042 9.9042 10.2256 10.2256 12.3829 12.3829 14.7262 14.7262 14.8337 14.8337 k = 0.0469 0.0271 0.0765 ( 6501 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1398 -36.1398 -36.1146 -36.1146 -0.3222 -0.3222 5.9737 5.9737 5.9797 5.9797 6.2717 6.2717 6.5723 6.5723 6.6346 6.6346 9.5124 9.5124 9.9275 9.9275 10.1897 10.1897 12.2744 12.2744 14.7629 14.7629 14.8533 14.8533 k = 0.0402 0.0232 0.0656 ( 6501 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1399 -36.1399 -36.1145 -36.1145 -0.3350 -0.3350 5.9761 5.9761 5.9802 5.9802 6.2717 6.2717 6.5914 6.5914 6.6374 6.6374 9.6045 9.6045 9.9499 9.9499 10.1604 10.1604 12.1691 12.1691 14.7964 14.7964 14.8713 14.8713 k = 0.0335 0.0193 0.0547 ( 6505 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1400 -36.1400 -36.1144 -36.1144 -0.3459 -0.3459 5.9778 5.9778 5.9805 5.9805 6.2716 6.2716 6.6080 6.6080 6.6401 6.6401 9.6843 9.6843 9.9737 9.9737 10.1380 10.1380 12.0697 12.0697 14.8265 14.8265 14.8857 14.8857 k = 0.0268 0.0155 0.0437 ( 6509 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1401 -36.1401 -36.1143 -36.1143 -0.3548 -0.3548 5.9790 5.9790 5.9807 5.9807 6.2716 6.2716 6.6218 6.6218 6.6425 6.6425 9.7461 9.7461 10.0021 10.0021 10.1222 10.1222 11.9795 11.9795 14.8527 14.8527 14.8953 14.8953 k = 0.0201 0.0116 0.0328 ( 6505 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1402 -36.1402 -36.1143 -36.1143 -0.3617 -0.3617 5.9798 5.9798 5.9807 5.9807 6.2716 6.2716 6.6328 6.6328 6.6444 6.6444 9.7871 9.7871 10.0357 10.0357 10.1120 10.1120 11.9023 11.9023 14.8743 14.8743 14.9005 14.9005 k = 0.0134 0.0077 0.0219 ( 6495 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1402 -36.1402 -36.1143 -36.1143 -0.3667 -0.3667 5.9803 5.9803 5.9807 5.9807 6.2716 6.2716 6.6407 6.6407 6.6459 6.6459 9.8100 9.8100 10.0689 10.0689 10.1061 10.1061 11.8426 11.8426 14.8906 14.8906 14.9030 14.9030 k = 0.0067 0.0039 0.0109 ( 6491 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1403 -36.1403 -36.1142 -36.1142 -0.3697 -0.3697 5.9806 5.9806 5.9807 5.9807 6.2716 6.2716 6.6455 6.6455 6.6468 6.6468 9.8207 9.8207 10.0934 10.0934 10.1032 10.1032 11.8046 11.8046 14.9008 14.9008 14.9040 14.9040 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1403 -36.1403 -36.1141 -36.1141 -0.3707 -0.3707 5.9807 5.9807 5.9807 5.9807 6.2717 6.2717 6.6472 6.6472 6.6472 6.6472 9.8238 9.8238 10.1024 10.1024 10.1024 10.1024 11.7915 11.7915 14.9043 14.9043 14.9043 14.9043 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1403 -36.1403 -36.1141 -36.1141 -0.3707 -0.3707 5.9807 5.9807 5.9807 5.9807 6.2717 6.2717 6.6472 6.6472 6.6472 6.6472 9.8238 9.8238 10.1024 10.1024 10.1024 10.1024 11.7915 11.7915 14.9043 14.9043 14.9043 14.9043 k = 0.0109 0.0063 0.0044 ( 6495 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1403 -36.1403 -36.1142 -36.1142 -0.3697 -0.3697 5.9807 5.9807 5.9807 5.9807 6.2716 6.2716 6.6458 6.6458 6.6466 6.6466 9.8207 9.8207 10.0930 10.0930 10.1037 10.1037 11.8044 11.8044 14.9008 14.9008 14.9041 14.9041 k = 0.0217 0.0126 0.0089 ( 6501 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1402 -36.1402 -36.1143 -36.1143 -0.3667 -0.3667 5.9805 5.9805 5.9805 5.9805 6.2716 6.2716 6.6419 6.6419 6.6448 6.6448 9.8095 9.8095 10.0684 10.0684 10.1079 10.1079 11.8418 11.8418 14.8903 14.8903 14.9034 14.9034 k = 0.0326 0.0188 0.0133 ( 6507 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1402 -36.1402 -36.1143 -36.1143 -0.3618 -0.3618 5.9802 5.9802 5.9803 5.9803 6.2716 6.2716 6.6355 6.6355 6.6420 6.6420 9.7839 9.7839 10.0380 10.0380 10.1148 10.1148 11.9003 11.9003 14.8733 14.8733 14.9022 14.9022 k = 0.0435 0.0251 0.0177 ( 6513 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3307 -39.3307 -39.3307 -39.3307 -36.1401 -36.1401 -36.1144 -36.1144 -0.3550 -0.3550 5.9797 5.9797 5.9799 5.9799 6.2716 6.2716 6.6266 6.6266 6.6381 6.6381 9.7356 9.7356 10.0144 10.0144 10.1243 10.1243 11.9752 11.9752 14.8503 14.8503 14.9000 14.9000 k = 0.0543 0.0314 0.0222 ( 6507 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1400 -36.1400 -36.1144 -36.1144 -0.3462 -0.3462 5.9788 5.9788 5.9792 5.9792 6.2716 6.2716 6.6155 6.6155 6.6334 6.6334 9.6620 9.6620 10.0047 10.0047 10.1365 10.1365 12.0621 12.0621 14.8229 14.8229 14.8962 14.8962 k = 0.0652 0.0377 0.0266 ( 6507 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1399 -36.1399 -36.1145 -36.1145 -0.3354 -0.3354 5.9774 5.9774 5.9782 5.9782 6.2716 6.2716 6.6022 6.6022 6.6280 6.6280 9.5680 9.5680 10.0074 10.0074 10.1511 10.1511 12.1568 12.1568 14.7928 14.7928 14.8903 14.8903 k = 0.0761 0.0439 0.0311 ( 6501 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3308 -39.3308 -39.3307 -39.3307 -36.1398 -36.1398 -36.1146 -36.1146 -0.3227 -0.3227 5.9754 5.9754 5.9768 5.9768 6.2716 6.2716 6.5869 6.5869 6.6220 6.6220 9.4603 9.4603 10.0190 10.0190 10.1680 10.1680 12.2558 12.2558 14.7616 14.7616 14.8814 14.8814 k = 0.0870 0.0502 0.0355 ( 6504 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3309 -39.3309 -39.3307 -39.3307 -36.1396 -36.1396 -36.1147 -36.1147 -0.3081 -0.3081 5.9724 5.9724 5.9748 5.9748 6.2716 6.2716 6.5701 6.5701 6.6158 6.6158 9.3439 9.3439 10.0367 10.0367 10.1873 10.1873 12.3564 12.3564 14.7309 14.7309 14.8686 14.8686 k = 0.0978 0.0565 0.0399 ( 6510 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3309 -39.3309 -39.3307 -39.3307 -36.1395 -36.1395 -36.1148 -36.1148 -0.2917 -0.2917 5.9682 5.9682 5.9722 5.9722 6.2715 6.2715 6.5518 6.5518 6.6095 6.6095 9.2221 9.2221 10.0590 10.0590 10.2086 10.2086 12.4561 12.4561 14.7020 14.7020 14.8510 14.8510 k = 0.1087 0.0628 0.0444 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7964 -43.7964 -39.3310 -39.3310 -39.3307 -39.3307 -36.1393 -36.1393 -36.1149 -36.1149 -0.2733 -0.2733 5.9626 5.9626 5.9688 5.9688 6.2712 6.2712 6.5326 6.5326 6.6035 6.6035 9.0973 9.0973 10.0848 10.0848 10.2318 10.2318 12.5527 12.5527 14.6755 14.6755 14.8275 14.8275 k = 0.1196 0.0690 0.0488 ( 6516 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3310 -39.3310 -39.3307 -39.3307 -36.1391 -36.1391 -36.1151 -36.1151 -0.2531 -0.2531 5.9551 5.9551 5.9644 5.9644 6.2705 6.2705 6.5129 6.5129 6.5979 6.5979 8.9712 8.9712 10.1134 10.1134 10.2568 10.2568 12.6445 12.6445 14.6510 14.6510 14.7974 14.7974 k = 0.1304 0.0753 0.0532 ( 6513 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3311 -39.3311 -39.3307 -39.3307 -36.1389 -36.1389 -36.1153 -36.1153 -0.2311 -0.2311 5.9455 5.9455 5.9589 5.9589 6.2692 6.2692 6.4932 6.4932 6.5930 6.5930 8.8452 8.8452 10.1445 10.1445 10.2834 10.2834 12.7298 12.7298 14.6254 14.6254 14.7599 14.7599 k = 0.1413 0.0816 0.0577 ( 6510 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3312 -39.3312 -39.3308 -39.3308 -36.1386 -36.1386 -36.1154 -36.1154 -0.2072 -0.2072 5.9333 5.9333 5.9523 5.9523 6.2665 6.2665 6.4743 6.4743 6.5890 6.5890 8.7205 8.7205 10.1776 10.1776 10.3115 10.3115 12.8072 12.8072 14.5927 14.5927 14.7148 14.7148 k = 0.1522 0.0879 0.0621 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3312 -39.3312 -39.3308 -39.3308 -36.1384 -36.1384 -36.1156 -36.1156 -0.1816 -0.1816 5.9182 5.9182 5.9445 5.9445 6.2620 6.2620 6.4572 6.4572 6.5862 6.5862 8.5979 8.5979 10.2123 10.2123 10.3410 10.3410 12.8754 12.8754 14.5467 14.5467 14.6619 14.6619 k = 0.1630 0.0941 0.0666 ( 6531 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3313 -39.3313 -39.3308 -39.3308 -36.1381 -36.1381 -36.1158 -36.1158 -0.1543 -0.1543 5.8999 5.8999 5.9353 5.9353 6.2547 6.2547 6.4429 6.4429 6.5847 6.5847 8.4784 8.4784 10.2486 10.2486 10.3715 10.3715 12.9339 12.9339 14.4870 14.4870 14.6017 14.6017 k = 0.1739 0.1004 0.0710 ( 6531 PWs) bands (ev): -74.9664 -74.9664 -43.7965 -43.7965 -39.3314 -39.3314 -39.3308 -39.3308 -36.1378 -36.1378 -36.1160 -36.1160 -0.1253 -0.1253 5.8778 5.8778 5.9248 5.9248 6.2437 6.2437 6.4325 6.4325 6.5846 6.5846 8.3628 8.3628 10.2860 10.2860 10.4031 10.4031 12.9821 12.9821 14.4170 14.4170 14.5347 14.5347 k = 0.1848 0.1067 0.0754 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3315 -39.3315 -39.3308 -39.3308 -36.1375 -36.1375 -36.1163 -36.1163 -0.0947 -0.0947 5.8518 5.8518 5.9129 5.9129 6.2287 6.2287 6.4264 6.4264 6.5860 6.5860 8.2518 8.2518 10.3244 10.3244 10.4355 10.4355 13.0203 13.0203 14.3397 14.3397 14.4616 14.4616 k = 0.1957 0.1130 0.0799 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3315 -39.3315 -39.3308 -39.3308 -36.1372 -36.1372 -36.1165 -36.1165 -0.0625 -0.0625 5.8213 5.8213 5.8999 5.8999 6.2099 6.2099 6.4246 6.4246 6.5890 6.5890 8.1460 8.1460 10.3635 10.3635 10.4687 10.4687 13.0490 13.0490 14.2573 14.2573 14.3835 14.3835 k = 0.2065 0.1192 0.0843 ( 6528 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3316 -39.3316 -39.3308 -39.3308 -36.1369 -36.1369 -36.1167 -36.1167 -0.0288 -0.0288 5.7862 5.7862 5.8856 5.8856 6.1878 6.1878 6.4266 6.4266 6.5935 6.5935 8.0460 8.0460 10.4033 10.4033 10.5025 10.5025 13.0692 13.0692 14.1712 14.1712 14.3012 14.3012 k = 0.2174 0.1255 0.0887 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3317 -39.3317 -39.3308 -39.3308 -36.1365 -36.1365 -36.1170 -36.1170 0.0064 0.0064 5.7462 5.7462 5.8703 5.8703 6.1632 6.1632 6.4318 6.4318 6.5994 6.5994 7.9523 7.9523 10.4435 10.4435 10.5368 10.5368 13.0818 13.0818 14.0824 14.0824 14.2155 14.2155 k = 0.2283 0.1318 0.0932 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7966 -43.7966 -39.3318 -39.3318 -39.3308 -39.3308 -36.1362 -36.1362 -36.1172 -36.1172 0.0429 0.0429 5.7012 5.7012 5.8541 5.8541 6.1370 6.1370 6.4394 6.4394 6.6068 6.6068 7.8652 7.8652 10.4840 10.4840 10.5715 10.5715 13.0881 13.0881 13.9919 13.9919 14.1273 14.1273 k = 0.2391 0.1381 0.0976 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3319 -39.3319 -39.3308 -39.3308 -36.1358 -36.1358 -36.1175 -36.1175 0.0808 0.0808 5.6510 5.6510 5.8371 5.8371 6.1098 6.1098 6.4489 6.4489 6.6155 6.6155 7.7851 7.7851 10.5247 10.5247 10.6065 10.6065 13.0891 13.0891 13.9004 13.9004 14.0373 14.0373 k = 0.2500 0.1443 0.1021 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3320 -39.3320 -39.3309 -39.3309 -36.1354 -36.1354 -36.1178 -36.1178 0.1198 0.1198 5.5958 5.5958 5.8196 5.8196 6.0820 6.0820 6.4599 6.4599 6.6253 6.6253 7.7119 7.7119 10.5655 10.5655 10.6417 10.6417 13.0859 13.0859 13.8086 13.8086 13.9461 13.9461 k = 0.2609 0.1506 0.1065 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3321 -39.3321 -39.3309 -39.3309 -36.1351 -36.1351 -36.1180 -36.1180 0.1599 0.1599 5.5357 5.5357 5.8016 5.8016 6.0542 6.0542 6.4720 6.4720 6.6361 6.6361 7.6458 7.6458 10.6062 10.6062 10.6772 10.6772 13.0794 13.0794 13.7169 13.7169 13.8544 13.8544 k = 0.2717 0.1569 0.1109 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3321 -39.3321 -39.3309 -39.3309 -36.1347 -36.1347 -36.1183 -36.1183 0.2010 0.2010 5.4712 5.4712 5.7833 5.7833 6.0266 6.0266 6.4849 6.4849 6.6479 6.6479 7.5865 7.5865 10.6468 10.6468 10.7127 10.7127 13.0701 13.0701 13.6261 13.6261 13.7626 13.7626 k = 0.2826 0.1632 0.1154 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7967 -43.7967 -39.3322 -39.3322 -39.3309 -39.3309 -36.1343 -36.1343 -36.1187 -36.1187 0.2429 0.2429 5.4027 5.4027 5.7650 5.7650 5.9995 5.9995 6.4984 6.4984 6.6604 6.6604 7.5337 7.5337 10.6873 10.6873 10.7483 10.7483 13.0586 13.0586 13.5366 13.5366 13.6712 13.6712 k = 0.2935 0.1694 0.1198 ( 6531 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3323 -39.3323 -39.3309 -39.3309 -36.1339 -36.1339 -36.1190 -36.1190 0.2854 0.2854 5.3309 5.3309 5.7467 5.7467 5.9731 5.9731 6.5122 6.5122 6.6734 6.6734 7.4871 7.4871 10.7274 10.7274 10.7838 10.7838 13.0452 13.0452 13.4490 13.4490 13.5807 13.5807 k = 0.3043 0.1757 0.1242 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3324 -39.3324 -39.3309 -39.3309 -36.1335 -36.1335 -36.1193 -36.1193 0.3285 0.3285 5.2564 5.2564 5.7286 5.7286 5.9475 5.9475 6.5263 6.5263 6.6869 6.6869 7.4463 7.4463 10.7672 10.7672 10.8193 10.8193 13.0296 13.0296 13.3643 13.3643 13.4913 13.4913 k = 0.3152 0.1820 0.1287 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3325 -39.3325 -39.3309 -39.3309 -36.1331 -36.1331 -36.1196 -36.1196 0.3719 0.3719 5.1800 5.1800 5.7108 5.7108 5.9229 5.9229 6.5404 6.5404 6.7007 6.7007 7.4107 7.4107 10.8067 10.8067 10.8547 10.8547 13.0114 13.0114 13.2837 13.2837 13.4034 13.4034 k = 0.3261 0.1883 0.1331 ( 6525 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3326 -39.3326 -39.3309 -39.3309 -36.1327 -36.1327 -36.1199 -36.1199 0.4155 0.4155 5.1024 5.1024 5.6935 5.6935 5.8993 5.8993 6.5543 6.5543 6.7145 6.7145 7.3799 7.3799 10.8457 10.8457 10.8899 10.8899 12.9889 12.9889 13.2093 13.2093 13.3174 13.3174 k = 0.3370 0.1945 0.1376 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7968 -43.7968 -39.3326 -39.3326 -39.3309 -39.3309 -36.1323 -36.1323 -36.1202 -36.1202 0.4589 0.4589 5.0245 5.0245 5.6767 5.6767 5.8768 5.8768 6.5680 6.5680 6.7284 6.7284 7.3534 7.3534 10.8842 10.8842 10.9248 10.9248 12.9591 12.9591 13.1446 13.1446 13.2335 13.2335 k = 0.3478 0.2008 0.1420 ( 6513 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3327 -39.3327 -39.3309 -39.3309 -36.1319 -36.1319 -36.1206 -36.1206 0.5020 0.5020 4.9470 4.9470 5.6605 5.6605 5.8555 5.8555 6.5814 6.5814 6.7422 6.7422 7.3307 7.3307 10.9222 10.9222 10.9595 10.9595 12.9185 12.9185 13.0936 13.0936 13.1521 13.1521 k = 0.3587 0.2071 0.1464 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3328 -39.3328 -39.3309 -39.3309 -36.1315 -36.1315 -36.1209 -36.1209 0.5444 0.5444 4.8707 4.8707 5.6452 5.6452 5.8355 5.8355 6.5942 6.5942 6.7556 6.7556 7.3113 7.3113 10.9595 10.9595 10.9937 10.9937 12.8663 12.8663 13.0574 13.0574 13.0734 13.0734 k = 0.3696 0.2134 0.1509 ( 6519 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3328 -39.3328 -39.3310 -39.3310 -36.1310 -36.1310 -36.1213 -36.1213 0.5859 0.5859 4.7962 4.7962 5.6306 5.6306 5.8168 5.8168 6.6064 6.6064 6.7687 6.7687 7.2950 7.2950 10.9961 10.9961 11.0273 11.0273 12.8066 12.8066 12.9977 12.9977 13.0322 13.0322 k = 0.3804 0.2196 0.1553 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3329 -39.3329 -39.3310 -39.3310 -36.1306 -36.1306 -36.1216 -36.1216 0.6262 0.6262 4.7244 4.7244 5.6170 5.6170 5.7994 5.7994 6.6180 6.6180 6.7812 6.7812 7.2813 7.2813 11.0318 11.0318 11.0603 11.0603 12.7441 12.7441 12.9254 12.9254 13.0140 13.0140 k = 0.3913 0.2259 0.1597 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3330 -39.3330 -39.3310 -39.3310 -36.1302 -36.1302 -36.1220 -36.1220 0.6648 0.6648 4.6560 4.6560 5.6043 5.6043 5.7834 5.7834 6.6288 6.6288 6.7930 6.7930 7.2698 7.2698 11.0664 11.0664 11.0924 11.0924 12.6817 12.6817 12.8568 12.8568 12.9998 12.9998 k = 0.4022 0.2322 0.1642 ( 6529 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3330 -39.3330 -39.3310 -39.3310 -36.1298 -36.1298 -36.1223 -36.1223 0.7015 0.7015 4.5915 4.5915 5.5927 5.5927 5.7689 5.7689 6.6388 6.6388 6.8041 6.8041 7.2603 7.2603 11.0998 11.0998 11.1235 11.1235 12.6215 12.6215 12.7924 12.7924 12.9883 12.9883 k = 0.4130 0.2385 0.1686 ( 6511 PWs) bands (ev): -74.9664 -74.9664 -43.7969 -43.7969 -39.3331 -39.3331 -39.3310 -39.3310 -36.1294 -36.1294 -36.1227 -36.1227 0.7358 0.7358 4.5317 4.5317 5.5822 5.5822 5.7557 5.7557 6.6478 6.6478 6.8143 6.8143 7.2525 7.2525 11.1317 11.1317 11.1531 11.1531 12.5644 12.5644 12.7324 12.7324 12.9788 12.9788 k = 0.4239 0.2447 0.1731 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3331 -39.3331 -39.3310 -39.3310 -36.1290 -36.1290 -36.1230 -36.1230 0.7673 0.7673 4.4772 4.4772 5.5728 5.5728 5.7441 5.7441 6.6559 6.6559 6.8236 6.8236 7.2462 7.2462 11.1617 11.1617 11.1810 11.1810 12.5114 12.5114 12.6775 12.6775 12.9708 12.9708 k = 0.4348 0.2510 0.1775 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3331 -39.3331 -39.3310 -39.3310 -36.1286 -36.1286 -36.1234 -36.1234 0.7957 0.7957 4.4286 4.4286 5.5645 5.5645 5.7340 5.7340 6.6630 6.6630 6.8318 6.8318 7.2411 7.2411 11.1895 11.1895 11.2067 11.2067 12.4632 12.4632 12.6281 12.6281 12.9641 12.9641 k = 0.4457 0.2573 0.1819 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1283 -36.1283 -36.1237 -36.1237 0.8205 0.8205 4.3864 4.3864 5.5575 5.5575 5.7254 5.7254 6.6691 6.6691 6.8389 6.8389 7.2371 7.2371 11.2144 11.2144 11.2298 11.2298 12.4207 12.4207 12.5848 12.5848 12.9586 12.9586 k = 0.4565 0.2636 0.1864 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1279 -36.1279 -36.1240 -36.1240 0.8413 0.8413 4.3511 4.3511 5.5517 5.5517 5.7183 5.7183 6.6741 6.6741 6.8447 6.8447 7.2341 7.2341 11.2361 11.2361 11.2497 11.2497 12.3844 12.3844 12.5482 12.5482 12.9542 12.9542 k = 0.4674 0.2698 0.1908 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1276 -36.1276 -36.1244 -36.1244 0.8579 0.8579 4.3232 4.3232 5.5472 5.5472 5.7128 5.7128 6.6780 6.6780 6.8494 6.8494 7.2318 7.2318 11.2538 11.2538 11.2659 11.2659 12.3553 12.3553 12.5189 12.5189 12.9509 12.9509 k = 0.4783 0.2761 0.1952 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1273 -36.1273 -36.1246 -36.1246 0.8700 0.8700 4.3030 4.3030 5.5440 5.5440 5.7088 5.7088 6.6808 6.6808 6.8527 6.8527 7.2303 7.2303 11.2670 11.2670 11.2780 11.2780 12.3338 12.3338 12.4975 12.4975 12.9485 12.9485 k = 0.4891 0.2824 0.1997 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1271 -36.1271 -36.1248 -36.1248 0.8774 0.8774 4.2907 4.2907 5.5420 5.5420 5.7065 5.7065 6.6825 6.6825 6.8547 6.8547 7.2294 7.2294 11.2751 11.2751 11.2854 11.2854 12.3207 12.3207 12.4844 12.4844 12.9471 12.9471 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8798 0.8798 4.2866 4.2866 5.5414 5.5414 5.7057 5.7057 6.6831 6.6831 6.8554 6.8554 7.2291 7.2291 11.2778 11.2778 11.2879 11.2879 12.3163 12.3163 12.4801 12.4801 12.9466 12.9466 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8798 0.8798 4.2866 4.2866 5.5414 5.5414 5.7057 5.7057 6.6831 6.6831 6.8554 6.8554 7.2291 7.2291 11.2778 11.2778 11.2879 11.2879 12.3163 12.3163 12.4801 12.4801 12.9466 12.9466 k = 0.5039 0.2774 0.2105 ( 6530 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8799 0.8799 4.2880 4.2880 5.5419 5.5419 5.7062 5.7062 6.6830 6.6830 6.8554 6.8554 7.2288 7.2288 11.2584 11.2584 11.2697 11.2697 12.3318 12.3318 12.4931 12.4931 12.9569 12.9569 k = 0.5078 0.2661 0.2169 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8803 0.8803 4.2921 4.2921 5.5435 5.5435 5.7077 5.7077 6.6829 6.6829 6.8552 6.8552 7.2278 7.2278 11.1953 11.1953 11.2269 11.2269 12.3728 12.3728 12.5296 12.5296 12.9892 12.9892 k = 0.5117 0.2548 0.2233 ( 6524 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8809 0.8809 4.2990 4.2990 5.5462 5.5462 5.7102 5.7102 6.6827 6.6827 6.8550 6.8550 7.2262 7.2262 11.0990 11.0990 11.1646 11.1646 12.4246 12.4246 12.5858 12.5858 13.0463 13.0463 k = 0.5156 0.2436 0.2296 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8818 0.8818 4.3086 4.3086 5.5500 5.5500 5.7138 5.7138 6.6825 6.6825 6.8547 6.8547 7.2241 7.2241 10.9810 10.9810 11.0876 11.0876 12.4695 12.4695 12.6621 12.6621 13.1290 13.1290 k = 0.5195 0.2323 0.2360 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8828 0.8828 4.3209 4.3209 5.5548 5.5548 5.7183 5.7183 6.6822 6.6822 6.8544 6.8544 7.2213 7.2213 10.8488 10.8488 11.0006 11.0006 12.4973 12.4973 12.7590 12.7590 13.2346 13.2346 k = 0.5234 0.2210 0.2424 ( 6516 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8842 0.8842 4.3358 4.3358 5.5607 5.5607 5.7238 5.7238 6.6818 6.6818 6.8539 6.8539 7.2180 7.2180 10.7077 10.7077 10.9074 10.9074 12.5089 12.5089 12.8719 12.8719 13.3581 13.3581 k = 0.5273 0.2097 0.2488 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8857 0.8857 4.3534 4.3534 5.5676 5.5676 5.7303 5.7303 6.6814 6.6814 6.8534 6.8534 7.2142 7.2142 10.5610 10.5610 10.8103 10.8103 12.5083 12.5083 12.9962 12.9962 13.4941 13.4941 k = 0.5312 0.1985 0.2552 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1268 -36.1268 -36.1250 -36.1250 0.8874 0.8874 4.3737 4.3737 5.5756 5.5756 5.7378 5.7378 6.6809 6.6809 6.8529 6.8529 7.2100 7.2100 10.4108 10.4108 10.7111 10.7111 12.4988 12.4988 13.1286 13.1286 13.6387 13.6387 k = 0.5352 0.1872 0.2615 ( 6532 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3312 -39.3312 -36.1268 -36.1268 -36.1250 -36.1250 0.8893 0.8893 4.3964 4.3964 5.5845 5.5845 5.7462 5.7462 6.6804 6.6804 6.8522 6.8522 7.2054 7.2054 10.2588 10.2588 10.6109 10.6109 12.4823 12.4823 13.2673 13.2673 13.7888 13.7888 k = 0.5391 0.1759 0.2679 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3312 -39.3312 -36.1268 -36.1268 -36.1250 -36.1250 0.8914 0.8914 4.4217 4.4217 5.5945 5.5945 5.7555 5.7555 6.6799 6.6799 6.8515 6.8515 7.2006 7.2006 10.1060 10.1060 10.5105 10.5105 12.4603 12.4603 13.4113 13.4113 13.9424 13.9424 k = 0.5430 0.1646 0.2743 ( 6533 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1267 -36.1267 -36.1250 -36.1250 0.8936 0.8936 4.4495 4.4495 5.6055 5.6055 5.7657 5.7657 6.6793 6.6793 6.8508 6.8508 7.1956 7.1956 9.9533 9.9533 10.4105 10.4105 12.4335 12.4335 13.5597 13.5597 14.0978 14.0978 k = 0.5469 0.1534 0.2807 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1267 -36.1267 -36.1250 -36.1250 0.8960 0.8960 4.4796 4.4796 5.6174 5.6174 5.7768 5.7768 6.6788 6.6788 6.8499 6.8499 7.1905 7.1905 9.8013 9.8013 10.3113 10.3113 12.4023 12.4023 13.7120 13.7120 14.2541 14.2541 k = 0.5508 0.1421 0.2870 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1266 -36.1266 -36.1250 -36.1250 0.8985 0.8985 4.5120 4.5120 5.6302 5.6302 5.7887 5.7887 6.6782 6.6782 6.8488 6.8488 7.1856 7.1856 9.6505 9.6505 10.2131 10.2131 12.3672 12.3672 13.8678 13.8678 14.4103 14.4103 k = 0.5547 0.1308 0.2934 ( 6535 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1266 -36.1266 -36.1251 -36.1251 0.9010 0.9010 4.5467 4.5467 5.6440 5.6440 5.8013 5.8013 6.6778 6.6778 6.8476 6.8476 7.1809 7.1809 9.5015 9.5015 10.1161 10.1161 12.3284 12.3284 14.0270 14.0270 14.5658 14.5658 k = 0.5586 0.1195 0.2998 ( 6539 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1265 -36.1265 -36.1251 -36.1251 0.9036 0.9036 4.5834 4.5834 5.6586 5.6586 5.8147 5.8147 6.6773 6.6773 6.8462 6.8462 7.1767 7.1767 9.3544 9.3544 10.0207 10.0207 12.2862 12.2862 14.1892 14.1892 14.7199 14.7199 k = 0.5625 0.1083 0.3062 ( 6545 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3315 -39.3315 -36.1265 -36.1265 -36.1251 -36.1251 0.9062 0.9062 4.6223 4.6223 5.6741 5.6741 5.8287 5.8287 6.6770 6.6770 6.8444 6.8444 7.1732 7.1732 9.2098 9.2098 9.9268 9.9268 12.2407 12.2407 14.3542 14.3542 14.8720 14.8720 k = 0.5664 0.0970 0.3126 ( 6539 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3315 -39.3315 -36.1264 -36.1264 -36.1251 -36.1251 0.9088 0.9088 4.6631 4.6631 5.6904 5.6904 5.8433 5.8433 6.6768 6.6768 6.8422 6.8422 7.1707 7.1707 9.0679 9.0679 9.8346 9.8346 12.1922 12.1922 14.5220 14.5220 15.0217 15.0217 k = 0.5703 0.0857 0.3189 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3316 -39.3316 -36.1264 -36.1264 -36.1251 -36.1251 0.9114 0.9114 4.7056 4.7056 5.7074 5.7074 5.8584 5.8584 6.6767 6.6767 6.8394 6.8394 7.1694 7.1694 8.9290 8.9290 9.7441 9.7441 12.1407 12.1407 14.6922 14.6922 15.1681 15.1681 k = 0.5742 0.0744 0.3253 ( 6533 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3316 -39.3316 -36.1263 -36.1263 -36.1251 -36.1251 0.9138 0.9138 4.7499 4.7499 5.7251 5.7251 5.8738 5.8738 6.6768 6.6768 6.8360 6.8360 7.1696 7.1696 8.7935 8.7935 9.6556 9.6556 12.0865 12.0865 14.8648 14.8648 15.3106 15.3106 k = 0.5781 0.0631 0.3317 ( 6531 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3316 -39.3316 -36.1263 -36.1263 -36.1251 -36.1251 0.9160 0.9160 4.7957 4.7957 5.7434 5.7434 5.8896 5.8896 6.6770 6.6770 6.8318 6.8318 7.1716 7.1716 8.6615 8.6615 9.5689 9.5689 12.0297 12.0297 15.0394 15.0394 15.4479 15.4479 k = 0.5820 0.0519 0.3381 ( 6529 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3317 -39.3317 -36.1263 -36.1263 -36.1251 -36.1251 0.9181 0.9181 4.8429 4.8429 5.7623 5.7623 5.9054 5.9054 6.6775 6.6775 6.8268 6.8268 7.1757 7.1757 8.5334 8.5334 9.4841 9.4841 11.9706 11.9706 15.2156 15.2156 15.5788 15.5788 k = 0.5859 0.0406 0.3445 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3317 -39.3317 -36.1263 -36.1263 -36.1251 -36.1251 0.9199 0.9199 4.8913 4.8913 5.7816 5.7816 5.9213 5.9213 6.6781 6.6781 6.8210 6.8210 7.1822 7.1822 8.4096 8.4096 9.4014 9.4014 11.9093 11.9093 15.3928 15.3928 15.7014 15.7014 k = 0.5898 0.0293 0.3508 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3317 -39.3317 -36.1262 -36.1262 -36.1251 -36.1251 0.9214 0.9214 4.9408 4.9408 5.8013 5.8013 5.9370 5.9370 6.6790 6.6790 6.8143 6.8143 7.1913 7.1913 8.2904 8.2904 9.3208 9.3208 11.8460 11.8460 15.5693 15.5693 15.8139 15.8139 k = 0.5938 0.0180 0.3572 ( 6548 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1250 -36.1250 0.9225 0.9225 4.9910 4.9910 5.8212 5.8212 5.9524 5.9524 6.6800 6.6800 6.8068 6.8068 7.2032 7.2032 8.1761 8.1761 9.2423 9.2423 11.7809 11.7809 15.7405 15.7405 15.9171 15.9171 k = 0.5977 0.0068 0.3636 ( 6543 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1250 -36.1250 0.9231 0.9231 5.0418 5.0418 5.8412 5.8412 5.9674 5.9674 6.6811 6.6811 6.7988 6.7988 7.2179 7.2179 8.0672 8.0672 9.1660 9.1660 11.7144 11.7144 15.8878 15.8878 16.0251 16.0251 k = 0.6016-0.0045 0.3700 ( 6543 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1249 -36.1249 0.9233 0.9233 5.0930 5.0930 5.8611 5.8611 5.9818 5.9818 6.6821 6.6821 6.7907 6.7907 7.2354 7.2354 7.9644 7.9644 9.0920 9.0920 11.6464 11.6464 15.9775 15.9775 16.1694 16.1694 k = 0.6055-0.0158 0.3764 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1248 -36.1248 0.9228 0.9228 5.1441 5.1441 5.8807 5.8807 5.9955 5.9955 6.6827 6.6827 6.7828 6.7828 7.2553 7.2553 7.8682 7.8682 9.0203 9.0203 11.5774 11.5774 16.0203 16.0203 16.3386 16.3386 k = 0.6094-0.0271 0.3827 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1264 -36.1264 -36.1248 -36.1248 0.9218 0.9218 5.1949 5.1949 5.8996 5.8996 6.0086 6.0086 6.6827 6.6827 6.7758 6.7758 7.2770 7.2770 7.7800 7.7800 8.9510 8.9510 11.5075 11.5075 16.0377 16.0377 16.5122 16.5122 k = 0.6133-0.0383 0.3891 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1265 -36.1265 -36.1247 -36.1247 0.9200 0.9200 5.2451 5.2451 5.9172 5.9172 6.0213 6.0213 6.6818 6.6818 6.7703 6.7703 7.2989 7.2989 7.7017 7.7017 8.8843 8.8843 11.4370 11.4370 16.0389 16.0389 16.6812 16.6812 k = 0.6172-0.0496 0.3955 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1266 -36.1266 -36.1246 -36.1246 0.9174 0.9174 5.2941 5.2941 5.9329 5.9329 6.0340 6.0340 6.6795 6.6795 6.7670 6.7670 7.3175 7.3175 7.6371 7.6371 8.8201 8.8201 11.3660 11.3660 16.0293 16.0293 16.8370 16.8370 k = 0.6211-0.0609 0.4019 ( 6544 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1266 -36.1266 -36.1245 -36.1245 0.9140 0.9140 5.3415 5.3415 5.9459 5.9459 6.0472 6.0472 6.6762 6.6762 6.7662 6.7662 7.3262 7.3262 7.5930 7.5930 8.7587 8.7587 11.2949 11.2949 16.0124 16.0124 16.9673 16.9673 k = 0.6250-0.0722 0.4082 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9096 0.9096 5.3867 5.3867 5.9554 5.9554 6.0617 6.0617 6.6722 6.6722 6.7676 6.7676 7.3172 7.3172 7.5778 7.5778 8.7002 8.7002 11.2237 11.2237 15.9905 15.9905 17.0591 17.0591 k = 0.6250-0.0722 0.4082 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9096 0.9096 5.3867 5.3867 5.9554 5.9554 6.0617 6.0617 6.6722 6.6722 6.7676 6.7676 7.3172 7.3172 7.5778 7.5778 8.7002 8.7002 11.2237 11.2237 15.9905 15.9905 17.0591 17.0591 k = 0.6184-0.0684 0.4190 ( 6541 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9099 0.9099 5.3866 5.3866 5.9553 5.9553 6.0612 6.0612 6.6741 6.6741 6.7686 6.7686 7.3170 7.3170 7.5775 7.5775 8.6915 8.6915 11.2356 11.2356 15.9879 15.9879 16.9537 16.9537 k = 0.6118-0.0646 0.4297 ( 6542 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9105 0.9105 5.3864 5.3864 5.9551 5.9551 6.0596 6.0596 6.6796 6.6796 6.7716 6.7716 7.3163 7.3163 7.5768 7.5768 8.6660 8.6660 11.2708 11.2708 15.9789 15.9789 16.7951 16.7951 k = 0.6053-0.0608 0.4405 ( 6538 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9117 0.9117 5.3860 5.3860 5.9546 5.9546 6.0572 6.0572 6.6884 6.6884 6.7769 6.7769 7.3152 7.3152 7.5756 7.5756 8.6252 8.6252 11.3278 11.3278 15.9602 15.9602 16.6395 16.6395 k = 0.5987-0.0570 0.4512 ( 6538 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9132 0.9132 5.3854 5.3854 5.9540 5.9540 6.0542 6.0542 6.6997 6.6997 6.7850 6.7850 7.3138 7.3138 7.5739 7.5739 8.5711 8.5711 11.4044 11.4044 15.9247 15.9247 16.4997 16.4997 k = 0.5921-0.0532 0.4620 ( 6544 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1267 -36.1267 -36.1244 -36.1244 0.9151 0.9151 5.3847 5.3847 5.9533 5.9533 6.0507 6.0507 6.7124 6.7124 6.7966 6.7966 7.3119 7.3119 7.5718 7.5718 8.5061 8.5061 11.4983 11.4983 15.8617 15.8617 16.3881 16.3881 k = 0.5855-0.0494 0.4727 ( 6550 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1266 -36.1266 -36.1245 -36.1245 0.9174 0.9174 5.3838 5.3838 5.9524 5.9524 6.0470 6.0470 6.7254 6.7254 6.8125 6.8125 7.3098 7.3098 7.5692 7.5692 8.4328 8.4328 11.6071 11.6071 15.7631 15.7631 16.3137 16.3137 k = 0.5789-0.0456 0.4835 ( 6559 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1266 -36.1266 -36.1245 -36.1245 0.9200 0.9200 5.3828 5.3828 5.9514 5.9514 6.0434 6.0434 6.7377 6.7377 6.8331 6.8331 7.3075 7.3075 7.5661 7.5661 8.3533 8.3533 11.7284 11.7284 15.6328 15.6328 16.2732 16.2732 k = 0.5724-0.0418 0.4942 ( 6564 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3319 -39.3319 -36.1266 -36.1266 -36.1246 -36.1246 0.9228 0.9228 5.3816 5.3816 5.9504 5.9504 6.0399 6.0399 6.7491 6.7491 6.8584 6.8584 7.3051 7.3051 7.5626 7.5626 8.2696 8.2696 11.8603 11.8603 15.4818 15.4818 16.2561 16.2561 k = 0.5658-0.0380 0.5049 ( 6562 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1265 -36.1265 -36.1246 -36.1246 0.9258 0.9258 5.3803 5.3803 5.9494 5.9494 6.0367 6.0367 6.7596 6.7596 6.8879 6.8879 7.3027 7.3027 7.5586 7.5586 8.1835 8.1835 12.0009 12.0009 15.3194 15.3194 16.2538 16.2538 k = 0.5592-0.0342 0.5157 ( 6561 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3319 -39.3319 -36.1264 -36.1264 -36.1247 -36.1247 0.9290 0.9290 5.3789 5.3789 5.9485 5.9485 6.0340 6.0340 6.7694 6.7694 6.9209 6.9209 7.3005 7.3005 7.5541 7.5541 8.0966 8.0966 12.1488 12.1488 15.1510 15.1510 16.2611 16.2611 k = 0.5526-0.0304 0.5264 ( 6553 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1264 -36.1264 -36.1247 -36.1247 0.9322 0.9322 5.3774 5.3774 5.9478 5.9478 6.0316 6.0316 6.7788 6.7788 6.9566 6.9566 7.2988 7.2988 7.5491 7.5491 8.0101 8.0101 12.3026 12.3026 14.9797 14.9797 16.2754 16.2754 k = 0.5461-0.0266 0.5372 ( 6561 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1263 -36.1263 -36.1248 -36.1248 0.9354 0.9354 5.3759 5.3759 5.9472 5.9472 6.0297 6.0297 6.7877 6.7877 6.9943 6.9943 7.2978 7.2978 7.5434 7.5434 7.9254 7.9254 12.4612 12.4612 14.8072 14.8072 16.2956 16.2956 k = 0.5395-0.0228 0.5479 ( 6575 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1263 -36.1263 -36.1248 -36.1248 0.9385 0.9385 5.3745 5.3745 5.9468 5.9468 6.0282 6.0282 6.7961 6.7961 7.0333 7.0333 7.2981 7.2981 7.5368 7.5368 7.8438 7.8438 12.6235 12.6235 14.6346 14.6346 16.3211 16.3211 k = 0.5329-0.0190 0.5587 ( 6580 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1262 -36.1262 -36.1249 -36.1249 0.9413 0.9413 5.3731 5.3731 5.9467 5.9467 6.0270 6.0270 6.8040 6.8040 7.0724 7.0724 7.3004 7.3004 7.5289 7.5289 7.7670 7.7670 12.7884 12.7884 14.4627 14.4627 16.3516 16.3516 k = 0.5263-0.0152 0.5694 ( 6586 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1261 -36.1261 -36.1250 -36.1250 0.9439 0.9439 5.3719 5.3719 5.9467 5.9467 6.0261 6.0261 6.8110 6.8110 7.1101 7.1101 7.3059 7.3059 7.5183 7.5183 7.6972 7.6972 12.9550 12.9550 14.2918 14.2918 16.3874 16.3874 k = 0.5197-0.0114 0.5801 ( 6596 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1260 -36.1260 -36.1251 -36.1251 0.9461 0.9461 5.3708 5.3708 5.9469 5.9469 6.0254 6.0254 6.8170 6.8170 7.1439 7.1439 7.3160 7.3160 7.5025 7.5025 7.6389 7.6389 13.1223 13.1223 14.1225 14.1225 16.4286 16.4286 k = 0.5132-0.0076 0.5909 ( 6600 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1260 -36.1260 -36.1251 -36.1251 0.9478 0.9478 5.3700 5.3700 5.9471 5.9471 6.0250 6.0250 6.8216 6.8216 7.1709 7.1709 7.3323 7.3323 7.4780 7.4780 7.5978 7.5978 13.2891 13.2891 13.9554 13.9554 16.4757 16.4757 k = 0.5066-0.0038 0.6016 ( 6598 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9489 0.9489 5.3695 5.3695 5.9473 5.9473 6.0247 6.0247 6.8245 6.8245 7.1881 7.1881 7.3527 7.3527 7.4483 7.4483 7.5761 7.5761 13.4530 13.4530 13.7918 13.7918 16.5284 16.5284 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9493 0.9493 5.3693 5.3693 5.9474 5.9474 6.0247 6.0247 6.8256 6.8256 7.1940 7.1940 7.3644 7.3644 7.4324 7.4324 7.5696 7.5696 13.5811 13.5811 13.6640 13.6640 16.5733 16.5733 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9493 0.9493 5.3693 5.3693 5.9474 5.9474 6.0247 6.0247 6.8256 6.8256 7.1940 7.1940 7.3644 7.3644 7.4324 7.4324 7.5696 7.5696 13.5811 13.5811 13.6640 13.6640 16.5733 16.5733 k = 0.5000 0.0078 0.6013 ( 6600 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9491 0.9491 5.3662 5.3662 5.9467 5.9467 6.0244 6.0244 6.8234 6.8234 7.1829 7.1829 7.3446 7.3446 7.4616 7.4616 7.5826 7.5826 13.5786 13.5786 13.6638 13.6638 16.5758 16.5758 k = 0.5000 0.0156 0.5903 ( 6604 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3321 -39.3321 -36.1259 -36.1259 -36.1252 -36.1252 0.9488 0.9488 5.3567 5.3567 5.9445 5.9445 6.0236 6.0236 6.8171 6.8171 7.1557 7.1557 7.3125 7.3125 7.5195 7.5195 7.6176 7.6176 13.5712 13.5712 13.6631 13.6631 16.5821 16.5821 k = 0.5000 0.0234 0.5793 ( 6594 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1259 -36.1259 -36.1252 -36.1252 0.9481 0.9481 5.3413 5.3413 5.9407 5.9407 6.0222 6.0222 6.8070 6.8070 7.1224 7.1224 7.2810 7.2810 7.5900 7.5900 7.6677 7.6677 13.5591 13.5591 13.6618 13.6618 16.5896 16.5896 k = 0.5000 0.0312 0.5682 ( 6582 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3320 -39.3320 -36.1259 -36.1259 -36.1252 -36.1252 0.9473 0.9473 5.3203 5.3203 5.9352 5.9352 6.0202 6.0202 6.7938 6.7938 7.0889 7.0889 7.2521 7.2521 7.6683 7.6683 7.7284 7.7284 13.5426 13.5426 13.6598 13.6598 16.5967 16.5967 k = 0.5000 0.0390 0.5572 ( 6582 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3320 -39.3320 -36.1259 -36.1259 -36.1252 -36.1252 0.9461 0.9461 5.2942 5.2942 5.9277 5.9277 6.0173 6.0173 6.7784 6.7784 7.0575 7.0575 7.2268 7.2268 7.7516 7.7516 7.7983 7.7983 13.5220 13.5220 13.6569 13.6569 16.6036 16.6036 k = 0.5000 0.0468 0.5462 ( 6574 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3320 -39.3320 -36.1259 -36.1259 -36.1252 -36.1252 0.9448 0.9448 5.2636 5.2636 5.9184 5.9184 6.0134 6.0134 6.7621 6.7621 7.0290 7.0290 7.2055 7.2055 7.8365 7.8365 7.8778 7.8778 13.4978 13.4978 13.6530 13.6530 16.6107 16.6107 k = 0.5000 0.0546 0.5351 ( 6568 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3320 -39.3320 -36.1259 -36.1259 -36.1252 -36.1252 0.9432 0.9432 5.2292 5.2292 5.9072 5.9072 6.0082 6.0082 6.7459 6.7459 7.0032 7.0032 7.1881 7.1881 7.9209 7.9209 7.9678 7.9678 13.4704 13.4704 13.6481 13.6481 16.6183 16.6183 k = 0.5000 0.0624 0.5241 ( 6568 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3320 -39.3320 -36.1259 -36.1259 -36.1252 -36.1252 0.9414 0.9414 5.1915 5.1915 5.8944 5.8944 6.0017 6.0017 6.7308 6.7308 6.9801 6.9801 7.1745 7.1745 8.0056 8.0056 8.0660 8.0660 13.4402 13.4402 13.6419 13.6419 16.6264 16.6264 k = 0.5000 0.0702 0.5131 ( 6566 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3319 -39.3319 -36.1260 -36.1260 -36.1252 -36.1252 0.9395 0.9395 5.1511 5.1511 5.8801 5.8801 5.9936 5.9936 6.7174 6.7174 6.9593 6.9593 7.1640 7.1640 8.0925 8.0925 8.1701 8.1701 13.4076 13.4076 13.6343 13.6343 16.6348 16.6348 k = 0.5000 0.0780 0.5020 ( 6554 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3319 -39.3319 -36.1260 -36.1260 -36.1252 -36.1252 0.9373 0.9373 5.1085 5.1085 5.8646 5.8646 5.9840 5.9840 6.7061 6.7061 6.9407 6.9407 7.1564 7.1564 8.1823 8.1823 8.2785 8.2785 13.3731 13.3731 13.6251 13.6251 16.6435 16.6435 k = 0.5000 0.0858 0.4910 ( 6550 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3319 -39.3319 -36.1260 -36.1260 -36.1252 -36.1252 0.9350 0.9350 5.0643 5.0643 5.8481 5.8481 5.9730 5.9730 6.6969 6.6969 6.9243 6.9243 7.1511 7.1511 8.2754 8.2754 8.3905 8.3905 13.3370 13.3370 13.6141 13.6141 16.6522 16.6522 k = 0.5000 0.0936 0.4800 ( 6550 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3331 -39.3331 -39.3319 -39.3319 -36.1260 -36.1260 -36.1252 -36.1252 0.9325 0.9325 5.0189 5.0189 5.8309 5.8309 5.9608 5.9608 6.6898 6.6898 6.9100 6.9100 7.1478 7.1478 8.3718 8.3718 8.5056 8.5056 13.2997 13.2997 13.6011 13.6011 16.6607 16.6607 k = 0.5000 0.1014 0.4689 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3331 -39.3331 -39.3318 -39.3318 -36.1261 -36.1261 -36.1252 -36.1252 0.9299 0.9299 4.9729 4.9729 5.8131 5.8131 5.9475 5.9475 6.6844 6.6844 6.8976 6.8976 7.1461 7.1461 8.4716 8.4716 8.6233 8.6233 13.2616 13.2616 13.5858 13.5858 16.6686 16.6686 k = 0.5000 0.1092 0.4579 ( 6550 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3318 -39.3318 -36.1261 -36.1261 -36.1252 -36.1252 0.9272 0.9272 4.9265 4.9265 5.7950 5.7950 5.9333 5.9333 6.6807 6.6807 6.8870 6.8870 7.1458 7.1458 8.5746 8.5746 8.7435 8.7435 13.2230 13.2230 13.5681 13.5681 16.6745 16.6745 k = 0.5000 0.1170 0.4469 ( 6542 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3317 -39.3317 -36.1262 -36.1262 -36.1252 -36.1252 0.9244 0.9244 4.8802 4.8802 5.7768 5.7768 5.9185 5.9185 6.6781 6.6781 6.8782 6.8782 7.1467 7.1467 8.6809 8.6809 8.8657 8.8657 13.1842 13.1842 13.5476 13.5476 16.6077 16.6077 k = 0.5000 0.1248 0.4358 ( 6540 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3317 -39.3317 -36.1262 -36.1262 -36.1252 -36.1252 0.9215 0.9215 4.8343 4.8343 5.7586 5.7586 5.9034 5.9034 6.6765 6.6765 6.8710 6.8710 7.1486 7.1486 8.7903 8.7903 8.9898 8.9898 13.1455 13.1455 13.5241 13.5241 16.3871 16.3871 k = 0.5000 0.1326 0.4248 ( 6538 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3317 -39.3317 -36.1262 -36.1262 -36.1252 -36.1252 0.9186 0.9186 4.7891 4.7891 5.7406 5.7406 5.8880 5.8880 6.6757 6.6757 6.8652 6.8652 7.1513 7.1513 8.9028 8.9028 9.1154 9.1154 13.1071 13.1071 13.4973 13.4973 16.1638 16.1638 k = 0.5000 0.1404 0.4138 ( 6536 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3316 -39.3316 -36.1263 -36.1263 -36.1251 -36.1251 0.9157 0.9157 4.7448 4.7448 5.7230 5.7230 5.8727 5.8727 6.6754 6.6754 6.8607 6.8607 7.1548 7.1548 9.0184 9.0184 9.2425 9.2425 13.0692 13.0692 13.4670 13.4670 15.9418 15.9418 k = 0.5000 0.1482 0.4027 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3316 -39.3316 -36.1264 -36.1264 -36.1251 -36.1251 0.9127 0.9127 4.7017 4.7017 5.7058 5.7058 5.8575 5.8575 6.6755 6.6755 6.8573 6.8573 7.1588 7.1588 9.1369 9.1369 9.3706 9.3706 13.0320 13.0320 13.4330 13.4330 15.7217 15.7217 k = 0.5000 0.1560 0.3917 ( 6528 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3315 -39.3315 -36.1264 -36.1264 -36.1251 -36.1251 0.9098 0.9098 4.6601 4.6601 5.6892 5.6892 5.8427 5.8427 6.6757 6.6757 6.8549 6.8549 7.1633 7.1633 9.2583 9.2583 9.4997 9.4997 12.9955 12.9955 13.3950 13.3950 15.5038 15.5038 k = 0.5000 0.1638 0.3807 ( 6530 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3315 -39.3315 -36.1265 -36.1265 -36.1251 -36.1251 0.9069 0.9069 4.6200 4.6200 5.6732 5.6732 5.8282 5.8282 6.6762 6.6762 6.8532 6.8532 7.1683 7.1683 9.3825 9.3825 9.6294 9.6294 12.9600 12.9600 13.3530 13.3530 15.2885 15.2885 k = 0.5000 0.1716 0.3696 ( 6532 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1265 -36.1265 -36.1251 -36.1251 0.9041 0.9041 4.5818 4.5818 5.6580 5.6580 5.8143 5.8143 6.6767 6.6767 6.8521 6.8521 7.1735 7.1735 9.5094 9.5094 9.7594 9.7594 12.9255 12.9255 13.3067 13.3067 15.0759 15.0759 k = 0.5000 0.1794 0.3586 ( 6528 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1266 -36.1266 -36.1251 -36.1251 0.9013 0.9013 4.5454 4.5454 5.6435 5.6435 5.8010 5.8010 6.6773 6.6773 6.8515 6.8515 7.1789 7.1789 9.6388 9.6388 9.8895 9.8895 12.8920 12.8920 13.2562 13.2562 14.8666 14.8666 k = 0.5000 0.1872 0.3476 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1266 -36.1266 -36.1250 -36.1250 0.8986 0.8986 4.5110 4.5110 5.6299 5.6299 5.7884 5.7884 6.6780 6.6780 6.8513 6.8513 7.1843 7.1843 9.7706 9.7706 10.0194 10.0194 12.8595 12.8595 13.2015 13.2015 14.6607 14.6607 k = 0.5000 0.1951 0.3365 ( 6532 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1267 -36.1267 -36.1250 -36.1250 0.8961 0.8961 4.4788 4.4788 5.6171 5.6171 5.7766 5.7766 6.6786 6.6786 6.8514 6.8514 7.1898 7.1898 9.9045 9.9045 10.1487 10.1487 12.8278 12.8278 13.1427 13.1427 14.4588 14.4588 k = 0.5000 0.2029 0.3255 ( 6528 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1267 -36.1267 -36.1250 -36.1250 0.8937 0.8937 4.4489 4.4489 5.6052 5.6052 5.7656 5.7656 6.6792 6.6792 6.8516 6.8516 7.1952 7.1952 10.0403 10.0403 10.2769 10.2769 12.7966 12.7966 13.0803 13.0803 14.2615 14.2615 k = 0.5000 0.2107 0.3145 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3312 -39.3312 -36.1268 -36.1268 -36.1250 -36.1250 0.8914 0.8914 4.4213 4.4213 5.5943 5.5943 5.7554 5.7554 6.6798 6.6798 6.8520 6.8520 7.2004 7.2004 10.1777 10.1777 10.4035 10.4035 12.7654 12.7654 13.0148 13.0148 14.0695 14.0695 k = 0.5000 0.2185 0.3034 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3312 -39.3312 -36.1268 -36.1268 -36.1250 -36.1250 0.8893 0.8893 4.3961 4.3961 5.5844 5.5844 5.7461 5.7461 6.6804 6.6804 6.8525 6.8525 7.2053 7.2053 10.3162 10.3162 10.5280 10.5280 12.7333 12.7333 12.9471 12.9471 13.8838 13.8838 k = 0.5000 0.2263 0.2924 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1268 -36.1268 -36.1250 -36.1250 0.8874 0.8874 4.3734 4.3734 5.5755 5.5755 5.7377 5.7377 6.6809 6.6809 6.8530 6.8530 7.2100 7.2100 10.4551 10.4551 10.6495 10.6495 12.6988 12.6988 12.8786 12.8786 13.7060 13.7060 k = 0.5000 0.2341 0.2814 ( 6518 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8857 0.8857 4.3533 4.3533 5.5675 5.5675 5.7303 5.7303 6.6814 6.6814 6.8535 6.8535 7.2142 7.2142 10.5935 10.5935 10.7671 10.7671 12.6596 12.6596 12.8115 12.8115 13.5382 13.5382 k = 0.5000 0.2419 0.2703 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8841 0.8841 4.3357 4.3357 5.5606 5.5606 5.7238 5.7238 6.6818 6.6818 6.8540 6.8540 7.2180 7.2180 10.7301 10.7301 10.8793 10.8793 12.6125 12.6125 12.7483 12.7483 13.3837 13.3837 k = 0.5000 0.2497 0.2593 ( 6514 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8828 0.8828 4.3208 4.3208 5.5548 5.5548 5.7183 5.7183 6.6822 6.6822 6.8544 6.8544 7.2213 7.2213 10.8628 10.8628 10.9843 10.9843 12.5565 12.5565 12.6898 12.6898 13.2469 13.2469 k = 0.5000 0.2575 0.2483 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8818 0.8818 4.3085 4.3085 5.5500 5.5500 5.7137 5.7137 6.6825 6.6825 6.8547 6.8547 7.2241 7.2241 10.9885 10.9885 11.0795 11.0795 12.4939 12.4939 12.6338 12.6338 13.1333 13.1333 k = 0.5000 0.2653 0.2372 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8809 0.8809 4.2990 4.2990 5.5462 5.5462 5.7102 5.7102 6.6827 6.6827 6.8550 6.8550 7.2263 7.2263 11.1023 11.1023 11.1616 11.1616 12.4305 12.4305 12.5787 12.5787 13.0471 13.0471 k = 0.5000 0.2731 0.2262 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8803 0.8803 4.2921 4.2921 5.5435 5.5435 5.7077 5.7077 6.6829 6.6829 6.8552 6.8552 7.2278 7.2278 11.1962 11.1962 11.2263 11.2263 12.3733 12.3733 12.5288 12.5288 12.9892 12.9892 k = 0.5000 0.2809 0.2152 ( 6528 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8799 0.8799 4.2880 4.2880 5.5419 5.5419 5.7062 5.7062 6.6830 6.6830 6.8554 6.8554 7.2288 7.2288 11.2585 11.2585 11.2697 11.2697 12.3318 12.3318 12.4931 12.4931 12.9569 12.9569 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8798 0.8798 4.2866 4.2866 5.5414 5.5414 5.7057 5.7057 6.6831 6.6831 6.8554 6.8554 7.2291 7.2291 11.2778 11.2778 11.2879 11.2879 12.3163 12.3163 12.4801 12.4801 12.9466 12.9466 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8798 0.8798 4.2866 4.2866 5.5414 5.5414 5.7057 5.7057 6.6831 6.6831 6.8554 6.8554 7.2291 7.2291 11.2778 11.2778 11.2879 11.2879 12.3163 12.3163 12.4801 12.4801 12.9466 12.9466 k = 0.4961 0.2864 0.2169 ( 6530 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8799 0.8799 4.2880 4.2880 5.5419 5.5419 5.7062 5.7062 6.6830 6.6830 6.8554 6.8554 7.2288 7.2288 11.2584 11.2584 11.2697 11.2697 12.3318 12.3318 12.4931 12.4931 12.9569 12.9569 k = 0.4922 0.2842 0.2296 ( 6526 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8803 0.8803 4.2921 4.2921 5.5435 5.5435 5.7077 5.7077 6.6829 6.6829 6.8552 6.8552 7.2278 7.2278 11.1953 11.1953 11.2269 11.2269 12.3728 12.3728 12.5296 12.5296 12.9892 12.9892 k = 0.4883 0.2819 0.2424 ( 6524 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8809 0.8809 4.2990 4.2990 5.5462 5.5462 5.7102 5.7102 6.6827 6.6827 6.8550 6.8550 7.2262 7.2262 11.0990 11.0990 11.1646 11.1646 12.4246 12.4246 12.5858 12.5858 13.0463 13.0463 k = 0.4844 0.2797 0.2552 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3310 -39.3310 -36.1270 -36.1270 -36.1249 -36.1249 0.8818 0.8818 4.3086 4.3086 5.5500 5.5500 5.7138 5.7138 6.6825 6.6825 6.8547 6.8547 7.2241 7.2241 10.9810 10.9810 11.0876 11.0876 12.4695 12.4695 12.6621 12.6621 13.1290 13.1290 k = 0.4805 0.2774 0.2679 ( 6520 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8828 0.8828 4.3209 4.3209 5.5548 5.5548 5.7183 5.7183 6.6822 6.6822 6.8544 6.8544 7.2213 7.2213 10.8488 10.8488 11.0006 11.0006 12.4973 12.4973 12.7590 12.7590 13.2346 13.2346 k = 0.4766 0.2751 0.2807 ( 6516 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8842 0.8842 4.3358 4.3358 5.5607 5.5607 5.7238 5.7238 6.6818 6.6818 6.8539 6.8539 7.2180 7.2180 10.7077 10.7077 10.9074 10.9074 12.5089 12.5089 12.8719 12.8719 13.3581 13.3581 k = 0.4727 0.2729 0.2934 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1269 -36.1269 -36.1249 -36.1249 0.8857 0.8857 4.3534 4.3534 5.5676 5.5676 5.7303 5.7303 6.6814 6.6814 6.8534 6.8534 7.2142 7.2142 10.5610 10.5610 10.8103 10.8103 12.5083 12.5083 12.9962 12.9962 13.4941 13.4941 k = 0.4688 0.2706 0.3062 ( 6522 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3311 -39.3311 -36.1268 -36.1268 -36.1250 -36.1250 0.8874 0.8874 4.3737 4.3737 5.5756 5.5756 5.7378 5.7378 6.6809 6.6809 6.8529 6.8529 7.2100 7.2100 10.4108 10.4108 10.7111 10.7111 12.4988 12.4988 13.1286 13.1286 13.6387 13.6387 k = 0.4648 0.2684 0.3189 ( 6532 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3312 -39.3312 -36.1268 -36.1268 -36.1250 -36.1250 0.8893 0.8893 4.3964 4.3964 5.5845 5.5845 5.7462 5.7462 6.6804 6.6804 6.8522 6.8522 7.2054 7.2054 10.2588 10.2588 10.6109 10.6109 12.4823 12.4823 13.2673 13.2673 13.7888 13.7888 k = 0.4609 0.2661 0.3317 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3312 -39.3312 -36.1268 -36.1268 -36.1250 -36.1250 0.8914 0.8914 4.4217 4.4217 5.5945 5.5945 5.7555 5.7555 6.6799 6.6799 6.8515 6.8515 7.2006 7.2006 10.1060 10.1060 10.5105 10.5105 12.4603 12.4603 13.4113 13.4113 13.9424 13.9424 k = 0.4570 0.2639 0.3445 ( 6533 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1267 -36.1267 -36.1250 -36.1250 0.8936 0.8936 4.4495 4.4495 5.6055 5.6055 5.7657 5.7657 6.6793 6.6793 6.8508 6.8508 7.1956 7.1956 9.9533 9.9533 10.4105 10.4105 12.4335 12.4335 13.5597 13.5597 14.0978 14.0978 k = 0.4531 0.2616 0.3572 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1267 -36.1267 -36.1250 -36.1250 0.8960 0.8960 4.4796 4.4796 5.6174 5.6174 5.7768 5.7768 6.6788 6.6788 6.8499 6.8499 7.1905 7.1905 9.8013 9.8013 10.3113 10.3113 12.4023 12.4023 13.7120 13.7120 14.2541 14.2541 k = 0.4492 0.2594 0.3700 ( 6527 PWs) bands (ev): -74.9664 -74.9664 -43.7970 -43.7970 -39.3332 -39.3332 -39.3313 -39.3313 -36.1266 -36.1266 -36.1250 -36.1250 0.8985 0.8985 4.5120 4.5120 5.6302 5.6302 5.7887 5.7887 6.6782 6.6782 6.8488 6.8488 7.1856 7.1856 9.6505 9.6505 10.2131 10.2131 12.3672 12.3672 13.8678 13.8678 14.4103 14.4103 k = 0.4453 0.2571 0.3827 ( 6535 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1266 -36.1266 -36.1251 -36.1251 0.9010 0.9010 4.5467 4.5467 5.6440 5.6440 5.8013 5.8013 6.6778 6.6778 6.8476 6.8476 7.1809 7.1809 9.5015 9.5015 10.1161 10.1161 12.3284 12.3284 14.0270 14.0270 14.5658 14.5658 k = 0.4414 0.2548 0.3955 ( 6539 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3314 -39.3314 -36.1265 -36.1265 -36.1251 -36.1251 0.9036 0.9036 4.5834 4.5834 5.6586 5.6586 5.8147 5.8147 6.6773 6.6773 6.8462 6.8462 7.1767 7.1767 9.3544 9.3544 10.0207 10.0207 12.2862 12.2862 14.1892 14.1892 14.7199 14.7199 k = 0.4375 0.2526 0.4082 ( 6545 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3315 -39.3315 -36.1265 -36.1265 -36.1251 -36.1251 0.9062 0.9062 4.6223 4.6223 5.6741 5.6741 5.8287 5.8287 6.6770 6.6770 6.8444 6.8444 7.1732 7.1732 9.2098 9.2098 9.9268 9.9268 12.2407 12.2407 14.3542 14.3542 14.8720 14.8720 k = 0.4336 0.2503 0.4210 ( 6539 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3315 -39.3315 -36.1264 -36.1264 -36.1251 -36.1251 0.9088 0.9088 4.6631 4.6631 5.6904 5.6904 5.8433 5.8433 6.6768 6.6768 6.8422 6.8422 7.1707 7.1707 9.0679 9.0679 9.8346 9.8346 12.1922 12.1922 14.5220 14.5220 15.0217 15.0217 k = 0.4297 0.2481 0.4338 ( 6534 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3316 -39.3316 -36.1264 -36.1264 -36.1251 -36.1251 0.9114 0.9114 4.7056 4.7056 5.7074 5.7074 5.8584 5.8584 6.6767 6.6767 6.8394 6.8394 7.1694 7.1694 8.9290 8.9290 9.7441 9.7441 12.1407 12.1407 14.6922 14.6922 15.1681 15.1681 k = 0.4258 0.2458 0.4465 ( 6533 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3316 -39.3316 -36.1263 -36.1263 -36.1251 -36.1251 0.9138 0.9138 4.7499 4.7499 5.7251 5.7251 5.8738 5.8738 6.6768 6.6768 6.8360 6.8360 7.1696 7.1696 8.7935 8.7935 9.6556 9.6556 12.0865 12.0865 14.8648 14.8648 15.3106 15.3106 k = 0.4219 0.2436 0.4593 ( 6531 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3331 -39.3331 -39.3316 -39.3316 -36.1263 -36.1263 -36.1251 -36.1251 0.9160 0.9160 4.7957 4.7957 5.7434 5.7434 5.8896 5.8896 6.6770 6.6770 6.8318 6.8318 7.1716 7.1716 8.6615 8.6615 9.5689 9.5689 12.0297 12.0297 15.0394 15.0394 15.4479 15.4479 k = 0.4180 0.2413 0.4720 ( 6529 PWs) bands (ev): -74.9664 -74.9664 -43.7971 -43.7971 -39.3332 -39.3332 -39.3317 -39.3317 -36.1263 -36.1263 -36.1251 -36.1251 0.9181 0.9181 4.8429 4.8429 5.7623 5.7623 5.9054 5.9054 6.6775 6.6775 6.8268 6.8268 7.1757 7.1757 8.5334 8.5334 9.4841 9.4841 11.9706 11.9706 15.2156 15.2156 15.5788 15.5788 k = 0.4141 0.2391 0.4848 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3317 -39.3317 -36.1263 -36.1263 -36.1251 -36.1251 0.9199 0.9199 4.8913 4.8913 5.7816 5.7816 5.9213 5.9213 6.6781 6.6781 6.8210 6.8210 7.1822 7.1822 8.4096 8.4096 9.4014 9.4014 11.9093 11.9093 15.3928 15.3928 15.7014 15.7014 k = 0.4102 0.2368 0.4976 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3317 -39.3317 -36.1262 -36.1262 -36.1251 -36.1251 0.9214 0.9214 4.9408 4.9408 5.8013 5.8013 5.9370 5.9370 6.6790 6.6790 6.8143 6.8143 7.1913 7.1913 8.2904 8.2904 9.3208 9.3208 11.8460 11.8460 15.5693 15.5693 15.8139 15.8139 k = 0.4062 0.2345 0.5103 ( 6548 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1250 -36.1250 0.9225 0.9225 4.9910 4.9910 5.8212 5.8212 5.9524 5.9524 6.6800 6.6800 6.8068 6.8068 7.2032 7.2032 8.1761 8.1761 9.2423 9.2423 11.7809 11.7809 15.7405 15.7405 15.9171 15.9171 k = 0.4023 0.2323 0.5231 ( 6543 PWs) bands (ev): -74.9663 -74.9663 -43.7971 -43.7971 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1250 -36.1250 0.9231 0.9231 5.0418 5.0418 5.8412 5.8412 5.9674 5.9674 6.6811 6.6811 6.7988 6.7988 7.2179 7.2179 8.0672 8.0672 9.1660 9.1660 11.7144 11.7144 15.8878 15.8878 16.0251 16.0251 k = 0.3984 0.2300 0.5358 ( 6543 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1249 -36.1249 0.9233 0.9233 5.0930 5.0930 5.8611 5.8611 5.9818 5.9818 6.6821 6.6821 6.7907 6.7907 7.2354 7.2354 7.9644 7.9644 9.0920 9.0920 11.6464 11.6464 15.9775 15.9775 16.1694 16.1694 k = 0.3945 0.2278 0.5486 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1263 -36.1263 -36.1248 -36.1248 0.9228 0.9228 5.1441 5.1441 5.8807 5.8807 5.9955 5.9955 6.6827 6.6827 6.7828 6.7828 7.2553 7.2553 7.8682 7.8682 9.0203 9.0203 11.5774 11.5774 16.0203 16.0203 16.3386 16.3386 k = 0.3906 0.2255 0.5613 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1264 -36.1264 -36.1248 -36.1248 0.9218 0.9218 5.1949 5.1949 5.8996 5.8996 6.0086 6.0086 6.6827 6.6827 6.7758 6.7758 7.2770 7.2770 7.7800 7.7800 8.9510 8.9510 11.5075 11.5075 16.0377 16.0377 16.5122 16.5122 k = 0.3867 0.2233 0.5741 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3332 -39.3332 -39.3318 -39.3318 -36.1265 -36.1265 -36.1247 -36.1247 0.9200 0.9200 5.2451 5.2451 5.9172 5.9172 6.0213 6.0213 6.6818 6.6818 6.7703 6.7703 7.2989 7.2989 7.7017 7.7017 8.8843 8.8843 11.4370 11.4370 16.0389 16.0389 16.6812 16.6812 k = 0.3828 0.2210 0.5869 ( 6546 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1266 -36.1266 -36.1246 -36.1246 0.9174 0.9174 5.2941 5.2941 5.9329 5.9329 6.0340 6.0340 6.6795 6.6795 6.7670 6.7670 7.3175 7.3175 7.6371 7.6371 8.8201 8.8201 11.3660 11.3660 16.0293 16.0293 16.8370 16.8370 k = 0.3789 0.2188 0.5996 ( 6544 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1266 -36.1266 -36.1245 -36.1245 0.9140 0.9140 5.3415 5.3415 5.9459 5.9459 6.0472 6.0472 6.6762 6.6762 6.7662 6.7662 7.3262 7.3262 7.5930 7.5930 8.7587 8.7587 11.2949 11.2949 16.0124 16.0124 16.9673 16.9673 k = 0.3750 0.2165 0.6124 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9096 0.9096 5.3867 5.3867 5.9554 5.9554 6.0617 6.0617 6.6722 6.6722 6.7676 6.7676 7.3172 7.3172 7.5778 7.5778 8.7002 8.7002 11.2237 11.2237 15.9905 15.9905 17.0591 17.0591 k = 0.6250-0.0722 0.4082 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1267 -36.1267 -36.1244 -36.1244 0.9096 0.9096 5.3867 5.3867 5.9554 5.9554 6.0617 6.0617 6.6722 6.6722 6.7676 6.7676 7.3172 7.3172 7.5778 7.5778 8.7002 8.7002 11.2237 11.2237 15.9905 15.9905 17.0591 17.0591 k = 0.6184-0.0836 0.4082 ( 6541 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3333 -39.3333 -39.3318 -39.3318 -36.1269 -36.1269 -36.1242 -36.1242 0.9010 0.9010 5.4618 5.4618 5.9681 5.9681 6.0886 6.0886 6.6662 6.6662 6.7718 6.7718 7.2852 7.2852 7.5790 7.5790 8.6048 8.6048 11.1018 11.1018 15.9483 15.9483 17.1739 17.1739 k = 0.6118-0.0950 0.4082 ( 6537 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3334 -39.3334 -39.3318 -39.3318 -36.1271 -36.1271 -36.1240 -36.1240 0.8916 0.8916 5.5384 5.5384 5.9806 5.9806 6.1180 6.1180 6.6628 6.6628 6.7758 6.7758 7.2536 7.2536 7.5815 7.5815 8.5109 8.5109 10.9758 10.9758 15.9038 15.9038 17.2833 17.2833 k = 0.6053-0.1064 0.4082 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3334 -39.3334 -39.3318 -39.3318 -36.1272 -36.1272 -36.1238 -36.1238 0.8816 0.8816 5.6152 5.6152 5.9930 5.9930 6.1500 6.1500 6.6627 6.6627 6.7791 6.7791 7.2230 7.2230 7.5849 7.5849 8.4185 8.4185 10.8463 10.8463 15.8596 15.8596 17.3904 17.3904 k = 0.5987-0.1177 0.4082 ( 6545 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3334 -39.3334 -39.3318 -39.3318 -36.1274 -36.1274 -36.1237 -36.1237 0.8712 0.8712 5.6906 5.6906 6.0055 6.0055 6.1850 6.1850 6.6671 6.6671 6.7818 6.7818 7.1939 7.1939 7.5886 7.5886 8.3277 8.3277 10.7138 10.7138 15.8170 15.8170 17.4971 17.4971 k = 0.5921-0.1291 0.4082 ( 6541 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3317 -39.3317 -36.1275 -36.1275 -36.1235 -36.1235 0.8607 0.8607 5.7626 5.7626 6.0181 6.0181 6.2232 6.2232 6.6767 6.6767 6.7835 6.7835 7.1666 7.1666 7.5926 7.5926 8.2385 8.2385 10.5789 10.5789 15.7771 15.7771 17.6040 17.6040 k = 0.5855-0.1405 0.4082 ( 6533 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3317 -39.3317 -36.1276 -36.1276 -36.1234 -36.1234 0.8501 0.8501 5.8289 5.8289 6.0309 6.0309 6.2653 6.2653 6.6928 6.6928 6.7844 6.7844 7.1414 7.1414 7.5966 7.5966 8.1512 8.1512 10.4425 10.4425 15.7402 15.7402 17.7105 17.7105 k = 0.5789-0.1519 0.4082 ( 6545 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3335 -39.3335 -39.3317 -39.3317 -36.1278 -36.1278 -36.1233 -36.1233 0.8396 0.8396 5.8875 5.8875 6.0439 6.0439 6.3117 6.3117 6.7161 6.7161 6.7845 6.7845 7.1186 7.1186 7.6005 7.6005 8.0658 8.0658 10.3052 10.3052 15.7067 15.7067 17.8161 17.8161 k = 0.5724-0.1633 0.4082 ( 6541 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3317 -39.3317 -36.1279 -36.1279 -36.1231 -36.1231 0.8295 0.8295 5.9367 5.9367 6.0571 6.0571 6.3620 6.3620 6.7465 6.7465 6.7852 6.7852 7.0982 7.0982 7.6043 7.6043 7.9824 7.9824 10.1679 10.1679 15.6765 15.6765 17.9197 17.9197 k = 0.5658-0.1747 0.4082 ( 6543 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1280 -36.1280 -36.1230 -36.1230 0.8198 0.8198 5.9761 5.9761 6.0702 6.0702 6.4153 6.4153 6.7704 6.7704 6.8007 6.8007 7.0806 7.0806 7.6079 7.6079 7.9013 7.9013 10.0317 10.0317 15.6497 15.6497 18.0203 18.0203 k = 0.5592-0.1861 0.4082 ( 6539 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1281 -36.1281 -36.1229 -36.1229 0.8107 0.8107 6.0066 6.0066 6.0828 6.0828 6.4699 6.4699 6.7713 6.7713 6.8477 6.8477 7.0659 7.0659 7.6112 7.6112 7.8226 7.8226 9.8975 9.8975 15.6260 15.6260 18.1166 18.1166 k = 0.5526-0.1975 0.4082 ( 6539 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1282 -36.1282 -36.1229 -36.1229 0.8022 0.8022 6.0300 6.0300 6.0940 6.0940 6.5240 6.5240 6.7675 6.7675 6.9069 6.9069 7.0543 7.0543 7.6141 7.6141 7.7467 7.7467 9.7668 9.7668 15.6054 15.6054 18.2073 18.2073 k = 0.5461-0.2089 0.4082 ( 6527 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3336 -39.3336 -39.3316 -39.3316 -36.1282 -36.1282 -36.1228 -36.1228 0.7945 0.7945 6.0483 6.0483 6.1034 6.1034 6.5765 6.5765 6.7625 6.7625 6.9722 6.9722 7.0467 7.0467 7.6165 7.6165 7.6742 7.6742 9.6409 9.6409 15.5877 15.5877 18.2911 18.2911 k = 0.5395-0.2203 0.4082 ( 6527 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3316 -39.3316 -36.1283 -36.1283 -36.1227 -36.1227 0.7877 0.7877 6.0628 6.0628 6.1107 6.1107 6.6264 6.6264 6.7570 6.7570 7.0262 7.0262 7.0567 7.0567 7.6040 7.6040 7.6201 7.6201 9.5219 9.5219 15.5726 15.5726 18.3668 18.3668 k = 0.5329-0.2317 0.4082 ( 6513 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1283 -36.1283 -36.1226 -36.1226 0.7818 0.7818 6.0747 6.0747 6.1160 6.1160 6.6730 6.6730 6.7515 6.7515 7.0315 7.0315 7.1177 7.1177 7.5415 7.5415 7.6209 7.6209 9.4121 9.4121 15.5602 15.5602 18.4331 18.4331 k = 0.5263-0.2431 0.4082 ( 6519 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7768 0.7768 6.0844 6.0844 6.1194 6.1194 6.7153 6.7153 6.7463 6.7463 7.0325 7.0325 7.1801 7.1801 7.4858 7.4858 7.6219 7.6219 9.3144 9.3144 15.5502 15.5502 18.4889 18.4889 k = 0.5197-0.2545 0.4082 ( 6519 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7730 0.7730 6.0922 6.0922 6.1213 6.1213 6.7416 6.7416 6.7521 6.7521 7.0360 7.0360 7.2299 7.2299 7.4421 7.4421 7.6226 7.6226 9.2322 9.2322 15.5426 15.5426 18.5333 18.5333 k = 0.5132-0.2659 0.4082 ( 6519 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7702 0.7702 6.0982 6.0982 6.1221 6.1221 6.7384 6.7384 6.7803 6.7803 7.0418 7.0418 7.2578 7.2578 7.4177 7.4177 7.6227 7.6227 9.1694 9.1694 15.5372 15.5372 18.5655 18.5655 k = 0.5066-0.2773 0.4082 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1284 -36.1284 -36.1226 -36.1226 0.7685 0.7685 6.1020 6.1020 6.1222 6.1222 6.7363 6.7363 6.7984 6.7984 7.0479 7.0479 7.2633 7.2633 7.4128 7.4128 7.6227 7.6227 9.1298 9.1298 15.5339 15.5339 18.5850 18.5850 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -74.9663 -74.9663 -43.7972 -43.7972 -39.3337 -39.3337 -39.3315 -39.3315 -36.1285 -36.1285 -36.1225 -36.1225 0.7679 0.7679 6.1034 6.1034 6.1221 6.1221 6.7356 6.7356 6.8046 6.8046 7.0507 7.0507 7.2620 7.2620 7.4139 7.4139 7.6226 7.6226 9.1162 9.1162 15.5329 15.5329 18.5916 18.5916 Writing output data file Li2GePd.save init_run : 0.24s CPU 0.39s WALL ( 1 calls) electrons : 116.75s CPU 118.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 116.74s CPU 118.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 350 calls) cegterg : 102.88s CPU 103.91s WALL ( 357 calls) Called by sum_band: Called by *egterg: h_psi : 79.49s CPU 80.42s WALL ( 6198 calls) s_psi : 1.65s CPU 1.67s WALL ( 6198 calls) g_psi : 0.26s CPU 0.23s WALL ( 5491 calls) cdiaghg : 22.63s CPU 23.06s WALL ( 5841 calls) cegterg:over : 3.65s CPU 3.58s WALL ( 5491 calls) cegterg:upda : 3.15s CPU 3.26s WALL ( 5491 calls) cegterg:last : 2.12s CPU 2.00s WALL ( 1057 calls) cdiaghg:chol : 1.34s CPU 1.33s WALL ( 5841 calls) cdiaghg:inve : 0.50s CPU 0.53s WALL ( 5841 calls) cdiaghg:para : 1.36s CPU 1.43s WALL ( 11682 calls) Called by h_psi: h_psi:vloc : 75.09s CPU 75.92s WALL ( 6198 calls) h_psi:vnl : 4.24s CPU 4.30s WALL ( 6198 calls) add_vuspsi : 1.98s CPU 1.98s WALL ( 6198 calls) General routines calbec : 2.25s CPU 2.30s WALL ( 6198 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.78s CPU 71.81s WALL ( 489756 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.30s WALL ( 700 calls) Parallel routines fft_scatter : 22.53s CPU 22.30s WALL ( 489779 calls) PWSCF : 2m12.64s CPU 2m25.61s WALL This run was terminated on: 19:11:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=