Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:32:10 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: ./Li2GaIr.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 51 51 14 1453 1453 216 Max 52 52 15 1456 1456 220 Sum 1843 1843 511 52345 52345 7799 bravais-lattice index = 14 lattice parameter (alat) = 8.0695 a.u. unit-cell volume = 371.5623 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.069542 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Ir 17.00 192.21700 Ir( 1.00) Ga 13.00 69.72300 Ga( 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 0.0377359), 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 0.3867925), 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 0.1086957), 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 0.5117187), 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 0.5429687), 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: 52345 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 378, 44) NL pseudopotentials 0.28 Mb ( 189, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1455) G-vector shells 0.00 Mb ( 403) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 378, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./Li2GaIr.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 15.0 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.7 secs Computing kpt #: 32 total cpu time spent up to now is 18.2 secs Computing kpt #: 33 total cpu time spent up to now is 18.7 secs Computing kpt #: 34 total cpu time spent up to now is 19.2 secs Computing kpt #: 35 total cpu time spent up to now is 19.8 secs Computing kpt #: 36 total cpu time spent up to now is 20.1 secs Computing kpt #: 37 total cpu time spent up to now is 20.5 secs Computing kpt #: 38 total cpu time spent up to now is 20.9 secs Computing kpt #: 39 total cpu time spent up to now is 21.3 secs Computing kpt #: 40 total cpu time spent up to now is 21.7 secs Computing kpt #: 41 total cpu time spent up to now is 22.1 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 22.9 secs Computing kpt #: 44 total cpu time spent up to now is 23.2 secs Computing kpt #: 45 total cpu time spent up to now is 23.6 secs Computing kpt #: 46 total cpu time spent up to now is 24.0 secs Computing kpt #: 47 total cpu time spent up to now is 24.4 secs Computing kpt #: 48 total cpu time spent up to now is 24.7 secs Computing kpt #: 49 total cpu time spent up to now is 25.1 secs Computing kpt #: 50 total cpu time spent up to now is 25.5 secs Computing kpt #: 51 total cpu time spent up to now is 25.8 secs Computing kpt #: 52 total cpu time spent up to now is 26.2 secs Computing kpt #: 53 total cpu time spent up to now is 26.5 secs Computing kpt #: 54 total cpu time spent up to now is 26.9 secs Computing kpt #: 55 total cpu time spent up to now is 27.3 secs Computing kpt #: 56 total cpu time spent up to now is 27.6 secs Computing kpt #: 57 total cpu time spent up to now is 28.0 secs Computing kpt #: 58 total cpu time spent up to now is 28.3 secs Computing kpt #: 59 total cpu time spent up to now is 28.7 secs Computing kpt #: 60 total cpu time spent up to now is 29.1 secs Computing kpt #: 61 total cpu time spent up to now is 29.5 secs Computing kpt #: 62 total cpu time spent up to now is 29.8 secs Computing kpt #: 63 total cpu time spent up to now is 30.2 secs Computing kpt #: 64 total cpu time spent up to now is 30.6 secs Computing kpt #: 65 total cpu time spent up to now is 31.0 secs Computing kpt #: 66 total cpu time spent up to now is 31.4 secs Computing kpt #: 67 total cpu time spent up to now is 31.7 secs Computing kpt #: 68 total cpu time spent up to now is 32.1 secs Computing kpt #: 69 total cpu time spent up to now is 32.5 secs Computing kpt #: 70 total cpu time spent up to now is 33.0 secs Computing kpt #: 71 total cpu time spent up to now is 33.5 secs Computing kpt #: 72 total cpu time spent up to now is 34.0 secs Computing kpt #: 73 total cpu time spent up to now is 34.4 secs Computing kpt #: 74 total cpu time spent up to now is 34.8 secs Computing kpt #: 75 total cpu time spent up to now is 35.1 secs Computing kpt #: 76 total cpu time spent up to now is 35.5 secs Computing kpt #: 77 total cpu time spent up to now is 35.9 secs Computing kpt #: 78 total cpu time spent up to now is 36.3 secs Computing kpt #: 79 total cpu time spent up to now is 36.6 secs Computing kpt #: 80 total cpu time spent up to now is 37.0 secs Computing kpt #: 81 total cpu time spent up to now is 37.4 secs Computing kpt #: 82 total cpu time spent up to now is 37.8 secs Computing kpt #: 83 total cpu time spent up to now is 38.1 secs Computing kpt #: 84 total cpu time spent up to now is 38.5 secs Computing kpt #: 85 total cpu time spent up to now is 38.9 secs Computing kpt #: 86 total cpu time spent up to now is 39.2 secs Computing kpt #: 87 total cpu time spent up to now is 39.6 secs Computing kpt #: 88 total cpu time spent up to now is 40.0 secs Computing kpt #: 89 total cpu 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Computing kpt #: 105 total cpu time spent up to now is 46.5 secs Computing kpt #: 106 total cpu time spent up to now is 46.8 secs Computing kpt #: 107 total cpu time spent up to now is 47.2 secs Computing kpt #: 108 total cpu time spent up to now is 47.6 secs Computing kpt #: 109 total cpu time spent up to now is 48.0 secs Computing kpt #: 110 total cpu time spent up to now is 48.4 secs Computing kpt #: 111 total cpu time spent up to now is 48.8 secs Computing kpt #: 112 total cpu time spent up to now is 49.2 secs Computing kpt #: 113 total cpu time spent up to now is 49.5 secs Computing kpt #: 114 total cpu time spent up to now is 49.9 secs Computing kpt #: 115 total cpu time spent up to now is 50.3 secs Computing kpt #: 116 total cpu time spent up to now is 50.7 secs Computing kpt #: 117 total cpu time spent up to now is 51.2 secs Computing kpt #: 118 total cpu time spent up to now is 51.6 secs Computing kpt #: 119 total cpu time spent up to now is 52.0 secs Computing kpt #: 120 total cpu time spent up to now is 52.4 secs Computing kpt #: 121 total cpu time spent up to now is 52.8 secs Computing kpt #: 122 total cpu time spent up to now is 53.2 secs Computing kpt #: 123 total cpu time spent up to now is 53.5 secs Computing kpt #: 124 total cpu time spent up to now is 53.9 secs Computing kpt #: 125 total cpu time spent up to now is 54.3 secs Computing kpt #: 126 total cpu time spent up to now is 54.7 secs Computing kpt #: 127 total cpu time spent up to now is 55.1 secs Computing kpt #: 128 total cpu time spent up to now is 55.5 secs Computing kpt #: 129 total cpu time spent up to now is 55.8 secs Computing kpt #: 130 total cpu time spent up to now is 56.2 secs Computing kpt #: 131 total cpu time spent up to now is 56.6 secs Computing kpt #: 132 total cpu time spent up to now is 57.0 secs Computing kpt #: 133 total cpu time spent up to now is 57.4 secs Computing kpt #: 134 total cpu time spent up to now is 57.8 secs Computing kpt #: 135 total cpu time spent up to now is 58.2 secs Computing kpt #: 136 total cpu time spent up to now is 58.6 secs Computing kpt #: 137 total cpu time spent up to now is 59.0 secs Computing kpt #: 138 total cpu time spent up to now is 59.5 secs Computing kpt #: 139 total cpu time spent up to now is 60.1 secs Computing kpt #: 140 total cpu time spent up to now is 60.5 secs Computing kpt #: 141 total cpu time spent up to now is 61.0 secs Computing kpt #: 142 total cpu time spent up to now is 61.5 secs Computing kpt #: 143 total cpu time spent up to now is 61.9 secs Computing kpt #: 144 total cpu time spent up to now is 62.3 secs Computing kpt #: 145 total cpu time spent up to now is 62.7 secs Computing kpt #: 146 total cpu time spent up to now is 63.1 secs Computing kpt #: 147 total cpu time spent up to now is 63.6 secs Computing kpt #: 148 total cpu time spent up to now is 64.0 secs Computing kpt #: 149 total cpu time spent up to now is 64.4 secs Computing kpt #: 150 total cpu time spent up to now is 64.8 secs Computing kpt #: 151 total cpu time spent up to now is 65.2 secs Computing kpt #: 152 total cpu time spent up to now is 65.7 secs Computing kpt #: 153 total cpu time spent up to now is 66.2 secs Computing kpt #: 154 total cpu time spent up to now is 66.6 secs Computing kpt #: 155 total cpu time spent up to now is 67.0 secs Computing kpt #: 156 total cpu time spent up to now is 67.5 secs Computing kpt #: 157 total cpu time spent up to now is 68.0 secs Computing kpt #: 158 total cpu time spent up to now is 68.5 secs Computing kpt #: 159 total cpu time spent up to now is 69.0 secs Computing kpt #: 160 total cpu time spent up to now is 69.5 secs Computing kpt #: 161 total cpu time spent up to now is 70.0 secs Computing kpt #: 162 total cpu time spent up to now is 70.5 secs Computing kpt #: 163 total cpu time spent up to now is 71.0 secs Computing kpt #: 164 total cpu time spent up to now is 71.4 secs Computing kpt #: 165 total cpu time spent up to now is 71.8 secs Computing kpt #: 166 total cpu time spent up to now is 72.3 secs Computing kpt #: 167 total cpu time spent up to now is 72.7 secs Computing kpt #: 168 total cpu time spent up to now is 73.1 secs Computing kpt #: 169 total cpu time spent up to now is 73.5 secs Computing kpt #: 170 total cpu time spent up to now is 73.9 secs Computing kpt #: 171 total cpu time spent up to now is 74.4 secs Computing kpt #: 172 total cpu time spent up to now is 74.8 secs Computing kpt #: 173 total cpu time spent up to now is 75.2 secs Computing kpt #: 174 total cpu time spent up to now is 75.7 secs Computing kpt #: 175 total cpu time spent up to now is 76.2 secs Computing kpt #: 176 total cpu time spent up to now is 76.6 secs Computing kpt #: 177 total cpu time spent up to now is 77.0 secs Computing kpt #: 178 total cpu time spent up to now is 77.4 secs Computing kpt #: 179 total cpu time spent up to now is 77.9 secs Computing kpt #: 180 total cpu time spent up to now is 78.4 secs Computing kpt #: 181 total cpu time spent up to now is 78.8 secs Computing kpt #: 182 total cpu time spent up to now is 79.3 secs Computing kpt #: 183 total cpu time spent up to now is 79.7 secs Computing kpt #: 184 total cpu time spent up to now is 80.1 secs Computing kpt #: 185 total cpu time spent up to now is 80.6 secs Computing kpt #: 186 total cpu time spent up to now is 81.0 secs Computing kpt #: 187 total cpu time spent up to now is 81.4 secs Computing kpt #: 188 total cpu time spent up to now is 81.9 secs Computing kpt #: 189 total cpu time spent up to now is 82.4 secs Computing kpt #: 190 total cpu time spent up to now is 82.8 secs Computing kpt #: 191 total cpu time spent up to now is 83.3 secs Computing kpt #: 192 total cpu time spent up to now is 83.7 secs Computing kpt #: 193 total cpu time spent up to now is 84.2 secs Computing kpt #: 194 total cpu time spent up to now is 84.6 secs Computing kpt #: 195 total cpu time spent up to now is 85.0 secs Computing kpt #: 196 total cpu time spent up to now is 85.5 secs Computing kpt #: 197 total cpu time spent up to now is 85.9 secs Computing kpt #: 198 total cpu time spent up to now is 86.3 secs Computing kpt #: 199 total cpu time spent up to now is 86.8 secs Computing kpt #: 200 total cpu time spent up to now is 87.2 secs Computing kpt #: 201 total cpu time spent up to now is 87.6 secs Computing kpt #: 202 total cpu time spent up to now is 88.1 secs Computing kpt #: 203 total cpu time spent up to now is 88.5 secs Computing kpt #: 204 total cpu time spent up to now is 88.9 secs Computing kpt #: 205 total cpu time spent up to now is 89.3 secs Computing kpt #: 206 total cpu time spent up to now is 89.7 secs Computing kpt #: 207 total cpu time spent up to now is 90.1 secs Computing kpt #: 208 total cpu time spent up to now is 90.5 secs Computing kpt #: 209 total cpu time spent up to now is 90.9 secs Computing kpt #: 210 total cpu time spent up to now is 91.3 secs Computing kpt #: 211 total cpu time spent up to now is 91.8 secs Computing kpt #: 212 total cpu time spent up to now is 92.2 secs Computing kpt #: 213 total cpu time spent up to now is 92.6 secs Computing kpt #: 214 total cpu time spent up to now is 93.0 secs Computing kpt #: 215 total cpu time spent up to now is 93.4 secs Computing kpt #: 216 total cpu time spent up to now is 93.8 secs Computing kpt #: 217 total cpu time spent up to now is 94.2 secs Computing kpt #: 218 total cpu time spent up to now is 94.6 secs Computing kpt #: 219 total cpu time spent up to now is 95.0 secs Computing kpt #: 220 total cpu time spent up to now is 95.4 secs Computing kpt #: 221 total cpu time spent up to now is 95.8 secs Computing kpt #: 222 total cpu time spent up to now is 96.2 secs Computing kpt #: 223 total cpu time spent up to now is 96.6 secs Computing kpt #: 224 total cpu time spent up to now is 97.0 secs Computing kpt #: 225 total cpu time spent up to now is 97.4 secs Computing kpt #: 226 total cpu time spent up to now is 97.8 secs Computing kpt #: 227 total cpu time spent up to now is 98.3 secs Computing kpt #: 228 total cpu time spent up to now is 98.8 secs Computing kpt #: 229 total cpu time spent up to now is 99.3 secs Computing kpt #: 230 total cpu time spent up to now is 99.7 secs Computing kpt #: 231 total cpu time spent up to now is 100.2 secs Computing kpt #: 232 total cpu time spent up to now is 100.6 secs Computing kpt #: 233 total cpu time spent up to now is 101.0 secs Computing kpt #: 234 total cpu time spent up to now is 101.4 secs Computing kpt #: 235 total cpu time spent up to now is 101.8 secs Computing kpt #: 236 total cpu time spent up to now is 102.2 secs Computing kpt #: 237 total cpu time spent up to now is 102.5 secs Computing kpt #: 238 total cpu time spent up to now is 102.9 secs Computing kpt #: 239 total cpu time spent up to now is 103.3 secs Computing kpt #: 240 total cpu time spent up to now is 103.7 secs Computing kpt #: 241 total cpu time spent up to now is 104.1 secs Computing kpt #: 242 total cpu time spent up to now is 104.5 secs Computing kpt #: 243 total cpu time spent up to now is 104.8 secs Computing kpt #: 244 total cpu time spent up to now is 105.2 secs Computing kpt #: 245 total cpu time spent up to now is 105.6 secs Computing kpt #: 246 total cpu time spent up to now is 106.0 secs Computing kpt #: 247 total cpu time spent up to now is 106.4 secs Computing kpt #: 248 total cpu time spent up to now is 106.8 secs Computing kpt #: 249 total cpu time spent up to now is 107.1 secs Computing kpt #: 250 total cpu time spent up to now is 107.5 secs Computing kpt #: 251 total cpu time spent up to now is 107.9 secs Computing kpt #: 252 total cpu time spent up to now is 108.3 secs Computing kpt #: 253 total cpu time spent up to now is 108.7 secs Computing kpt #: 254 total cpu time spent up to now is 109.1 secs Computing kpt #: 255 total cpu time spent up to now is 109.5 secs Computing kpt #: 256 total cpu time spent up to now is 109.9 secs Computing kpt #: 257 total cpu time spent up to now is 110.2 secs Computing kpt #: 258 total cpu time spent up to now is 110.6 secs Computing kpt #: 259 total cpu time spent up to now is 111.0 secs Computing kpt #: 260 total cpu time spent up to now is 111.3 secs Computing kpt #: 261 total cpu time spent up to now is 111.7 secs Computing kpt #: 262 total cpu time spent up to now is 112.1 secs Computing kpt #: 263 total cpu time spent up to now is 112.4 secs Computing kpt #: 264 total cpu time spent up to now is 112.8 secs Computing kpt #: 265 total cpu time spent up to now is 113.1 secs Computing kpt #: 266 total cpu time spent up to now is 113.5 secs Computing kpt #: 267 total cpu time spent up to now is 113.9 secs Computing kpt #: 268 total cpu time spent up to now is 114.2 secs Computing kpt #: 269 total cpu time spent up to now is 114.6 secs Computing kpt #: 270 total cpu time spent up to now is 115.0 secs Computing kpt #: 271 total cpu time spent up to now is 115.3 secs Computing kpt #: 272 total cpu time spent up to now is 115.7 secs Computing kpt #: 273 total cpu time spent up to now is 116.1 secs Computing kpt #: 274 total cpu time spent up to now is 116.4 secs Computing kpt #: 275 total cpu time spent up to now is 116.8 secs Computing kpt #: 276 total cpu time spent up to now is 117.2 secs Computing kpt #: 277 total cpu time spent up to now is 117.5 secs Computing kpt #: 278 total cpu time spent up to now is 117.9 secs Computing kpt #: 279 total cpu time spent up to now is 118.3 secs Computing kpt #: 280 total cpu time spent up to now is 118.7 secs Computing kpt #: 281 total cpu time spent up to now is 119.1 secs Computing kpt #: 282 total cpu time spent up to now is 119.4 secs Computing kpt #: 283 total cpu time spent up to now is 119.8 secs Computing kpt #: 284 total cpu time spent up to now is 120.2 secs Computing kpt #: 285 total cpu time spent up to now is 120.6 secs Computing kpt #: 286 total cpu time spent up to now is 121.0 secs Computing kpt #: 287 total cpu time spent up to now is 121.4 secs Computing kpt #: 288 total cpu time spent up to now is 121.8 secs Computing kpt #: 289 total cpu time spent up to now is 122.2 secs Computing kpt #: 290 total cpu time spent up to now is 122.6 secs Computing kpt #: 291 total cpu time spent up to now is 123.0 secs Computing kpt #: 292 total cpu time spent up to now is 123.4 secs Computing kpt #: 293 total cpu time spent up to now is 123.8 secs Computing kpt #: 294 total cpu time spent up to now is 124.2 secs Computing kpt #: 295 total cpu time spent up to now is 124.6 secs Computing kpt #: 296 total cpu time spent up to now is 125.0 secs Computing kpt #: 297 total cpu time spent up to now is 125.4 secs Computing kpt #: 298 total cpu time spent up to now is 125.8 secs Computing kpt #: 299 total cpu time spent up to now is 126.3 secs Computing kpt #: 300 total cpu time spent up to now is 126.7 secs Computing kpt #: 301 total cpu time spent up to now is 127.1 secs Computing kpt #: 302 total cpu time spent up to now is 127.5 secs Computing kpt #: 303 total cpu time spent up to now is 127.9 secs Computing kpt #: 304 total cpu time spent up to now is 128.3 secs Computing kpt #: 305 total cpu time spent up to now is 128.7 secs Computing kpt #: 306 total cpu time spent up to now is 129.1 secs Computing kpt #: 307 total cpu time spent up to now is 129.5 secs Computing kpt #: 308 total cpu time spent up to now is 129.9 secs Computing kpt #: 309 total cpu time spent up to now is 130.3 secs Computing kpt #: 310 total cpu time spent up to now is 130.7 secs Computing kpt #: 311 total cpu time spent up to now is 131.1 secs Computing kpt #: 312 total cpu time spent up to now is 131.5 secs Computing kpt #: 313 total cpu time spent up to now is 131.9 secs Computing kpt #: 314 total cpu time spent up to now is 132.3 secs Computing kpt #: 315 total cpu time spent up to now is 132.7 secs Computing kpt #: 316 total cpu time spent up to now is 133.1 secs Computing kpt #: 317 total cpu time spent up to now is 133.5 secs Computing kpt #: 318 total cpu time spent up to now is 134.0 secs Computing kpt #: 319 total cpu time spent up to now is 134.5 secs Computing kpt #: 320 total cpu time spent up to now is 135.0 secs Computing kpt #: 321 total cpu time spent up to now is 135.4 secs Computing kpt #: 322 total cpu time spent up to now is 135.9 secs Computing kpt #: 323 total cpu time spent up to now is 136.3 secs Computing kpt #: 324 total cpu time spent up to now is 136.7 secs Computing kpt #: 325 total cpu time spent up to now is 137.1 secs Computing kpt #: 326 total cpu time spent up to now is 137.5 secs Computing kpt #: 327 total cpu time spent up to now is 137.9 secs Computing kpt #: 328 total cpu time spent up to now is 138.3 secs Computing kpt #: 329 total cpu time spent up to now is 138.7 secs Computing kpt #: 330 total cpu time spent up to now is 139.1 secs Computing kpt #: 331 total cpu time spent up to now is 139.4 secs Computing kpt #: 332 total cpu time spent up to now is 139.8 secs Computing kpt #: 333 total cpu time spent up to now is 140.2 secs Computing kpt #: 334 total cpu time spent up to now is 140.6 secs Computing kpt #: 335 total cpu time spent up to now is 141.0 secs Computing kpt #: 336 total cpu time spent up to now is 141.4 secs Computing kpt #: 337 total cpu time spent up to now is 141.7 secs Computing kpt #: 338 total cpu time spent up to now is 142.1 secs Computing kpt #: 339 total cpu time spent up to now is 142.5 secs Computing kpt #: 340 total cpu time spent up to now is 142.9 secs Computing kpt #: 341 total cpu time spent up to now is 143.3 secs Computing kpt #: 342 total cpu time spent up to now is 143.7 secs Computing kpt #: 343 total cpu time spent up to now is 144.1 secs Computing kpt #: 344 total cpu time spent up to now is 144.5 secs Computing kpt #: 345 total cpu time spent up to now is 144.8 secs Computing kpt #: 346 total cpu time spent up to now is 145.2 secs Computing kpt #: 347 total cpu time spent up to now is 145.6 secs Computing kpt #: 348 total cpu time spent up to now is 146.0 secs Computing kpt #: 349 total cpu time spent up to now is 146.3 secs Computing kpt #: 350 total cpu time spent up to now is 146.7 secs ethr = 2.78E-08, avg # of iterations = 16.0 total cpu time spent up to now is 146.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6790 -33.6790 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9050 -3.9050 2.2536 2.2536 7.9073 7.9073 7.9073 7.9073 8.6166 8.6166 9.2231 9.2231 9.2231 9.2231 12.6464 12.6464 13.1179 13.1179 13.1179 13.1179 14.3972 14.3972 17.4147 17.4147 k = 0.0094-0.0054 0.0077 ( 6579 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6790 -33.6790 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9050 -3.9050 2.2549 2.2549 7.9071 7.9071 7.9074 7.9074 8.6166 8.6166 9.2203 9.2203 9.2234 9.2234 12.6430 12.6430 13.1069 13.1069 13.1169 13.1169 14.4160 14.4160 17.3984 17.3984 k = 0.0189-0.0109 0.0154 ( 6547 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6789 -33.6789 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9049 -3.9049 2.2587 2.2587 7.9065 7.9065 7.9077 7.9077 8.6167 8.6167 9.2119 9.2119 9.2241 9.2241 12.6327 12.6327 13.0761 13.0761 13.1139 13.1139 14.4704 14.4704 17.3547 17.3547 k = 0.0283-0.0163 0.0231 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3062 -34.3062 -34.2797 -34.2797 -33.6790 -33.6790 -33.6789 -33.6789 -4.3663 -4.3663 -4.3662 -4.3662 -3.9128 -3.9128 -3.9049 -3.9049 -3.9048 -3.9048 2.2651 2.2651 7.9056 7.9056 7.9083 7.9083 8.6168 8.6168 9.1979 9.1979 9.2254 9.2254 12.6152 12.6152 13.0311 13.0311 13.1089 13.1089 14.5549 14.5549 17.2935 17.2935 k = 0.0377-0.0218 0.0308 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3062 -34.3062 -34.2798 -34.2798 -33.6790 -33.6790 -33.6788 -33.6788 -4.3662 -4.3662 -4.3660 -4.3660 -3.9127 -3.9127 -3.9049 -3.9049 -3.9047 -3.9047 2.2740 2.2740 7.9043 7.9043 7.9091 7.9091 8.6170 8.6170 9.1786 9.1786 9.2272 9.2272 12.5901 12.5901 12.9782 12.9782 13.1016 13.1016 14.6631 14.6631 17.2234 17.2234 k = 0.0472-0.0272 0.0385 ( 6523 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3063 -34.3063 -34.2798 -34.2798 -33.6790 -33.6790 -33.6786 -33.6786 -4.3661 -4.3661 -4.3659 -4.3659 -3.9126 -3.9126 -3.9048 -3.9048 -3.9046 -3.9046 2.2855 2.2855 7.9026 7.9026 7.9102 7.9102 8.6172 8.6172 9.1541 9.1541 9.2296 9.2296 12.5569 12.5569 12.9227 12.9227 13.0920 13.0920 14.7892 14.7892 17.1498 17.1498 k = 0.0566-0.0327 0.0462 ( 6523 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3064 -34.3064 -34.2799 -34.2799 -33.6790 -33.6790 -33.6785 -33.6785 -4.3661 -4.3661 -4.3657 -4.3657 -3.9124 -3.9124 -3.9047 -3.9047 -3.9044 -3.9044 2.2995 2.2995 7.9004 7.9004 7.9114 7.9114 8.6175 8.6175 9.1247 9.1247 9.2324 9.2324 12.5161 12.5161 12.8681 12.8681 13.0799 13.0799 14.9283 14.9283 17.0757 17.0757 k = 0.0660-0.0381 0.0539 ( 6523 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3065 -34.3065 -34.2800 -34.2800 -33.6791 -33.6791 -33.6783 -33.6783 -4.3660 -4.3660 -4.3655 -4.3655 -3.9122 -3.9122 -3.9046 -3.9046 -3.9042 -3.9042 2.3159 2.3159 7.8978 7.8978 7.9130 7.9130 8.6180 8.6180 9.0908 9.0908 9.2357 9.2357 12.4686 12.4686 12.8159 12.8159 13.0649 13.0649 15.0764 15.0764 17.0031 17.0031 k = 0.0755-0.0436 0.0616 ( 6523 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3066 -34.3066 -34.2801 -34.2801 -33.6791 -33.6791 -33.6781 -33.6781 -4.3659 -4.3659 -4.3652 -4.3652 -3.9120 -3.9120 -3.9044 -3.9044 -3.9040 -3.9040 2.3349 2.3349 7.8948 7.8948 7.9148 7.9148 8.6187 8.6187 9.0528 9.0528 9.2395 9.2395 12.4163 12.4163 12.7660 12.7660 13.0469 13.0469 15.2294 15.2294 16.9332 16.9332 k = 0.0849-0.0490 0.0693 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3067 -34.3067 -34.2803 -34.2803 -33.6791 -33.6791 -33.6779 -33.6779 -4.3657 -4.3657 -4.3649 -4.3649 -3.9117 -3.9117 -3.9043 -3.9043 -3.9037 -3.9037 2.3562 2.3562 7.8912 7.8912 7.9168 7.9168 8.6195 8.6195 9.0111 9.0111 9.2438 9.2438 12.3610 12.3610 12.7175 12.7175 13.0255 13.0255 15.3829 15.3829 16.8673 16.8673 k = 0.0943-0.0545 0.0770 ( 6543 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3069 -34.3069 -34.2804 -34.2804 -33.6791 -33.6791 -33.6776 -33.6776 -4.3656 -4.3656 -4.3646 -4.3646 -3.9115 -3.9115 -3.9041 -3.9041 -3.9034 -3.9034 2.3799 2.3799 7.8870 7.8870 7.9191 7.9191 8.6206 8.6206 8.9663 8.9663 9.2485 9.2485 12.3049 12.3049 12.6691 12.6691 13.0006 13.0006 15.5305 15.5305 16.8081 16.8081 k = 0.1038-0.0599 0.0847 ( 6543 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3070 -34.3070 -34.2805 -34.2805 -33.6792 -33.6792 -33.6773 -33.6773 -4.3655 -4.3655 -4.3643 -4.3643 -3.9112 -3.9112 -3.9039 -3.9039 -3.9031 -3.9031 2.4060 2.4060 7.8821 7.8821 7.9217 7.9217 8.6220 8.6220 8.9189 8.9189 9.2538 9.2538 12.2492 12.2492 12.6197 12.6197 12.9718 12.9718 15.6623 15.6623 16.7610 16.7610 k = 0.1132-0.0654 0.0924 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3072 -34.3072 -34.2807 -34.2807 -33.6792 -33.6792 -33.6770 -33.6770 -4.3653 -4.3653 -4.3640 -4.3640 -3.9109 -3.9109 -3.9037 -3.9037 -3.9028 -3.9028 2.4343 2.4343 7.8763 7.8763 7.9246 7.9246 8.6237 8.6237 8.8697 8.8697 9.2595 9.2595 12.1951 12.1951 12.5682 12.5682 12.9390 12.9390 15.7629 15.7629 16.7364 16.7364 k = 0.1226-0.0708 0.1001 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3073 -34.3073 -34.2809 -34.2809 -33.6793 -33.6793 -33.6767 -33.6767 -4.3651 -4.3651 -4.3636 -4.3636 -3.9106 -3.9106 -3.9035 -3.9035 -3.9025 -3.9025 2.4649 2.4649 7.8696 7.8696 7.9278 7.9278 8.6259 8.6259 8.8194 8.8194 9.2656 9.2656 12.1433 12.1433 12.5142 12.5142 12.9020 12.9020 15.8135 15.8135 16.7481 16.7481 k = 0.1321-0.0763 0.1078 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3075 -34.3075 -34.2811 -34.2811 -33.6793 -33.6793 -33.6764 -33.6764 -4.3649 -4.3649 -4.3633 -4.3633 -3.9102 -3.9102 -3.9032 -3.9032 -3.9022 -3.9022 2.4976 2.4976 7.8618 7.8618 7.9313 7.9313 8.6285 8.6285 8.7687 8.7687 9.2721 9.2721 12.0941 12.0941 12.4572 12.4572 12.8607 12.8607 15.8026 15.8026 16.8007 16.8007 k = 0.1415-0.0817 0.1155 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3077 -34.3077 -34.2813 -34.2813 -33.6793 -33.6793 -33.6760 -33.6760 -4.3647 -4.3647 -4.3629 -4.3629 -3.9099 -3.9099 -3.9030 -3.9030 -3.9019 -3.9019 2.5324 2.5324 7.8526 7.8526 7.9350 7.9350 8.6315 8.6315 8.7184 8.7184 9.2791 9.2791 12.0478 12.0478 12.3970 12.3970 12.8150 12.8150 15.7363 15.7363 16.8797 16.8797 k = 0.1509-0.0871 0.1232 ( 6547 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3079 -34.3079 -34.2815 -34.2815 -33.6794 -33.6794 -33.6756 -33.6756 -4.3645 -4.3645 -4.3625 -4.3625 -3.9096 -3.9096 -3.9027 -3.9027 -3.9016 -3.9016 2.5692 2.5692 7.8418 7.8418 7.9391 7.9391 8.6352 8.6352 8.6694 8.6694 9.2865 9.2865 12.0042 12.0042 12.3334 12.3334 12.7650 12.7650 15.6297 15.6297 16.9609 16.9609 k = 0.1604-0.0926 0.1309 ( 6547 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3081 -34.3081 -34.2817 -34.2817 -33.6794 -33.6794 -33.6752 -33.6752 -4.3643 -4.3643 -4.3621 -4.3621 -3.9092 -3.9092 -3.9023 -3.9023 -3.9013 -3.9013 2.6079 2.6079 7.8292 7.8292 7.9435 7.9435 8.6225 8.6225 8.6394 8.6394 9.2942 9.2942 11.9633 11.9633 12.2665 12.2665 12.7107 12.7107 15.4963 15.4963 17.0294 17.0294 k = 0.1698-0.0980 0.1387 ( 6535 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3083 -34.3083 -34.2819 -34.2819 -33.6795 -33.6795 -33.6748 -33.6748 -4.3641 -4.3641 -4.3617 -4.3617 -3.9089 -3.9089 -3.9020 -3.9020 -3.9010 -3.9010 2.6485 2.6485 7.8144 7.8144 7.9482 7.9482 8.5787 8.5787 8.6444 8.6444 9.3023 9.3023 11.9250 11.9250 12.1964 12.1964 12.6522 12.6522 15.3452 15.3452 17.0860 17.0860 k = 0.1792-0.1035 0.1464 ( 6535 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3085 -34.3085 -34.2821 -34.2821 -33.6795 -33.6795 -33.6744 -33.6744 -4.3639 -4.3639 -4.3614 -4.3614 -3.9086 -3.9086 -3.9016 -3.9016 -3.9007 -3.9007 2.6907 2.6907 7.7972 7.7972 7.9533 7.9533 8.5385 8.5385 8.6501 8.6501 9.3107 9.3107 11.8889 11.8889 12.1234 12.1234 12.5896 12.5896 15.1821 15.1821 17.1377 17.1377 k = 0.1887-0.1089 0.1541 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3088 -34.3088 -34.2824 -34.2824 -33.6796 -33.6796 -33.6740 -33.6740 -4.3637 -4.3637 -4.3610 -4.3610 -3.9082 -3.9082 -3.9012 -3.9012 -3.9005 -3.9005 2.7346 2.7346 7.7777 7.7777 7.9586 7.9586 8.5028 8.5028 8.6566 8.6566 9.3194 9.3194 11.8546 11.8546 12.0477 12.0477 12.5233 12.5233 15.0110 15.0110 17.1903 17.1903 k = 0.1981-0.1144 0.1618 ( 6523 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3090 -34.3090 -34.2826 -34.2826 -33.6796 -33.6796 -33.6735 -33.6735 -4.3635 -4.3635 -4.3606 -4.3606 -3.9079 -3.9079 -3.9008 -3.9008 -3.9002 -3.9002 2.7798 2.7798 7.7557 7.7557 7.9642 7.9642 8.4720 8.4720 8.6639 8.6639 9.3284 9.3284 11.8216 11.8216 11.9699 11.9699 12.4534 12.4534 14.8344 14.8344 17.2469 17.2469 k = 0.2075-0.1198 0.1695 ( 6523 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3092 -34.3092 -34.2828 -34.2828 -33.6797 -33.6797 -33.6731 -33.6731 -4.3632 -4.3632 -4.3603 -4.3603 -3.9076 -3.9076 -3.9004 -3.9004 -3.9000 -3.9000 2.8264 2.8264 7.7314 7.7314 7.9701 7.9701 8.4465 8.4465 8.6722 8.6722 9.3376 9.3376 11.7886 11.7886 11.8911 11.8911 12.3803 12.3803 14.6543 14.6543 17.3093 17.3093 k = 0.2170-0.1253 0.1772 ( 6522 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3095 -34.3095 -34.2831 -34.2831 -33.6798 -33.6798 -33.6726 -33.6726 -4.3630 -4.3630 -4.3599 -4.3599 -3.9073 -3.9073 -3.8999 -3.8999 -3.8998 -3.8998 2.8741 2.8741 7.7053 7.7053 7.9763 7.9763 8.4264 8.4264 8.6815 8.6815 9.3471 9.3471 11.7513 11.7513 11.8156 11.8156 12.3042 12.3042 14.4722 14.4722 17.3778 17.3778 k = 0.2264-0.1307 0.1849 ( 6514 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3097 -34.3097 -34.2833 -34.2833 -33.6798 -33.6798 -33.6721 -33.6721 -4.3627 -4.3627 -4.3596 -4.3596 -3.9070 -3.9070 -3.8996 -3.8996 -3.8995 -3.8995 2.9228 2.9228 7.6778 7.6778 7.9827 7.9827 8.4116 8.4116 8.6919 8.6919 9.3567 9.3567 11.6950 11.6950 11.7579 11.7579 12.2254 12.2254 14.2893 14.2893 17.4529 17.4529 k = 0.2358-0.1362 0.1926 ( 6518 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3100 -34.3100 -34.2836 -34.2836 -33.6799 -33.6799 -33.6717 -33.6717 -4.3625 -4.3625 -4.3593 -4.3593 -3.9067 -3.9067 -3.8995 -3.8995 -3.8990 -3.8990 2.9724 2.9724 7.6497 7.6497 7.9893 7.9893 8.4019 8.4019 8.7034 8.7034 9.3666 9.3666 11.6167 11.6167 11.7208 11.7208 12.1443 12.1443 14.1067 14.1067 17.5343 17.5343 k = 0.2453-0.1416 0.2003 ( 6486 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3102 -34.3102 -34.2838 -34.2838 -33.6799 -33.6799 -33.6712 -33.6712 -4.3623 -4.3623 -4.3590 -4.3590 -3.9065 -3.9065 -3.8994 -3.8994 -3.8985 -3.8985 3.0225 3.0225 7.6217 7.6217 7.9962 7.9962 8.3970 8.3970 8.7162 8.7162 9.3766 9.3766 11.5307 11.5307 11.6898 11.6898 12.0612 12.0612 13.9253 13.9253 17.6221 17.6221 k = 0.2547-0.1471 0.2080 ( 6486 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3104 -34.3104 -34.2841 -34.2841 -33.6800 -33.6800 -33.6707 -33.6707 -4.3620 -4.3620 -4.3587 -4.3587 -3.9062 -3.9062 -3.8993 -3.8993 -3.8980 -3.8980 3.0730 3.0730 7.5945 7.5945 8.0031 8.0031 8.3966 8.3966 8.7302 8.7302 9.3867 9.3867 11.4417 11.4417 11.6598 11.6598 11.9763 11.9763 13.7460 13.7460 17.7159 17.7159 k = 0.2642-0.1525 0.2157 ( 6522 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3107 -34.3107 -34.2843 -34.2843 -33.6800 -33.6800 -33.6702 -33.6702 -4.3618 -4.3618 -4.3585 -4.3585 -3.9059 -3.9059 -3.8992 -3.8992 -3.8975 -3.8975 3.1237 3.1237 7.5689 7.5689 8.0103 8.0103 8.4003 8.4003 8.7455 8.7455 9.3969 9.3969 11.3511 11.3511 11.6291 11.6291 11.8900 11.8900 13.5698 13.5698 17.8155 17.8155 k = 0.2736-0.1580 0.2234 ( 6530 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3110 -34.3110 -34.2846 -34.2846 -33.6801 -33.6801 -33.6698 -33.6698 -4.3616 -4.3616 -4.3582 -4.3582 -3.9057 -3.9057 -3.8991 -3.8991 -3.8970 -3.8970 3.1743 3.1743 7.5456 7.5456 8.0175 8.0175 8.4078 8.4078 8.7623 8.7623 9.4071 9.4071 11.2592 11.2592 11.5965 11.5965 11.8025 11.8025 13.3979 13.3979 17.9206 17.9206 k = 0.2830-0.1634 0.2311 ( 6522 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3112 -34.3112 -34.2849 -34.2849 -33.6802 -33.6802 -33.6693 -33.6693 -4.3613 -4.3613 -4.3580 -4.3580 -3.9055 -3.9055 -3.8991 -3.8991 -3.8965 -3.8965 3.2247 3.2247 7.5254 7.5254 8.0247 8.0247 8.4188 8.4188 8.7805 8.7805 9.4174 9.4174 11.1666 11.1666 11.5610 11.5610 11.7141 11.7141 13.2314 13.2314 18.0310 18.0310 k = 0.2925-0.1688 0.2388 ( 6534 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3115 -34.3115 -34.2851 -34.2851 -33.6802 -33.6802 -33.6689 -33.6689 -4.3611 -4.3611 -4.3579 -4.3579 -3.9052 -3.9052 -3.8991 -3.8991 -3.8960 -3.8960 3.2745 3.2745 7.5087 7.5087 8.0320 8.0320 8.4330 8.4330 8.8003 8.8003 9.4277 9.4277 11.0732 11.0732 11.5214 11.5214 11.6250 11.6250 13.0716 13.0716 18.1464 18.1464 k = 0.3019-0.1743 0.2465 ( 6542 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3117 -34.3117 -34.2853 -34.2853 -33.6803 -33.6803 -33.6684 -33.6684 -4.3609 -4.3609 -4.3577 -4.3577 -3.9050 -3.9050 -3.8992 -3.8992 -3.8955 -3.8955 3.3236 3.3236 7.4962 7.4962 8.0392 8.0392 8.4502 8.4502 8.8216 8.8216 9.4380 9.4380 10.9794 10.9794 11.4763 11.4763 11.5355 11.5355 12.9201 12.9201 18.2667 18.2667 k = 0.3113-0.1797 0.2542 ( 6534 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3119 -34.3119 -34.2856 -34.2856 -33.6803 -33.6803 -33.6680 -33.6680 -4.3607 -4.3607 -4.3576 -4.3576 -3.9048 -3.9048 -3.8992 -3.8992 -3.8950 -3.8950 3.3716 3.3716 7.4883 7.4883 8.0463 8.0463 8.4702 8.4702 8.8446 8.8446 9.4482 9.4482 10.8853 10.8853 11.4242 11.4242 11.4458 11.4458 12.7787 12.7787 18.3914 18.3914 k = 0.3208-0.1852 0.2619 ( 6526 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3121 -34.3121 -34.2858 -34.2858 -33.6804 -33.6804 -33.6675 -33.6675 -4.3604 -4.3604 -4.3574 -4.3574 -3.9046 -3.9046 -3.8993 -3.8993 -3.8945 -3.8945 3.4184 3.4184 7.4854 7.4854 8.0533 8.0533 8.4930 8.4930 8.8692 8.8692 9.4585 9.4585 10.7909 10.7909 11.3561 11.3561 11.3636 11.3636 12.6490 12.6490 18.5205 18.5205 k = 0.3302-0.1906 0.2696 ( 6534 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3124 -34.3124 -34.2861 -34.2861 -33.6804 -33.6804 -33.6671 -33.6671 -4.3602 -4.3602 -4.3573 -4.3573 -3.9044 -3.9044 -3.8994 -3.8994 -3.8941 -3.8941 3.4637 3.4637 7.4880 7.4880 8.0602 8.0602 8.5183 8.5183 8.8955 8.8955 9.4686 9.4686 10.6963 10.6963 11.2666 11.2666 11.2932 11.2932 12.5325 12.5325 18.6341 18.6341 k = 0.3396-0.1961 0.2773 ( 6534 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3126 -34.3126 -34.2863 -34.2863 -33.6805 -33.6805 -33.6667 -33.6667 -4.3600 -4.3600 -4.3573 -4.3573 -3.9043 -3.9043 -3.8995 -3.8995 -3.8936 -3.8936 3.5072 3.5072 7.4962 7.4962 8.0668 8.0668 8.5460 8.5460 8.9235 8.9235 9.4788 9.4788 10.6016 10.6016 11.1775 11.1775 11.2122 11.2122 12.4304 12.4304 18.6523 18.6523 k = 0.3491-0.2015 0.2850 ( 6558 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3128 -34.3128 -34.2865 -34.2865 -33.6805 -33.6805 -33.6663 -33.6663 -4.3598 -4.3598 -4.3572 -4.3572 -3.9041 -3.9041 -3.8996 -3.8996 -3.8932 -3.8932 3.5488 3.5488 7.5105 7.5105 8.0732 8.0732 8.5760 8.5760 8.9532 8.9532 9.4889 9.4889 10.5067 10.5067 11.0889 11.0889 11.1207 11.1207 12.3429 12.3429 18.6699 18.6699 k = 0.3585-0.2070 0.2927 ( 6558 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3130 -34.3130 -34.2867 -34.2867 -33.6806 -33.6806 -33.6659 -33.6659 -4.3597 -4.3597 -4.3572 -4.3572 -3.9039 -3.9039 -3.8998 -3.8998 -3.8928 -3.8928 3.5883 3.5883 7.5308 7.5308 8.0793 8.0793 8.6082 8.6082 8.9845 8.9845 9.4990 9.4990 10.4117 10.4117 11.0010 11.0010 11.0197 11.0197 12.2693 12.2693 18.6867 18.6867 k = 0.3679-0.2124 0.3004 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3132 -34.3132 -34.2869 -34.2869 -33.6806 -33.6806 -33.6656 -33.6656 -4.3595 -4.3595 -4.3571 -4.3571 -3.9038 -3.9038 -3.8999 -3.8999 -3.8924 -3.8924 3.6254 3.6254 7.5574 7.5574 8.0852 8.0852 8.6426 8.6426 9.0173 9.0173 9.5092 9.5092 10.3164 10.3164 10.9109 10.9109 10.9140 10.9140 12.2084 12.2084 18.7028 18.7028 k = 0.3774-0.2179 0.3081 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3134 -34.3134 -34.2871 -34.2871 -33.6807 -33.6807 -33.6652 -33.6652 -4.3593 -4.3593 -4.3571 -4.3571 -3.9037 -3.9037 -3.9001 -3.9001 -3.8920 -3.8920 3.6602 3.6602 7.5903 7.5903 8.0907 8.0907 8.6789 8.6789 9.0516 9.0516 9.5195 9.5195 10.2209 10.2209 10.7964 10.7964 10.8280 10.8280 12.1586 12.1586 18.7180 18.7180 k = 0.3868-0.2233 0.3158 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3135 -34.3135 -34.2872 -34.2872 -33.6807 -33.6807 -33.6649 -33.6649 -4.3592 -4.3592 -4.3571 -4.3571 -3.9035 -3.9035 -3.9002 -3.9002 -3.8916 -3.8916 3.6924 3.6924 7.6295 7.6295 8.0959 8.0959 8.7170 8.7170 9.0872 9.0872 9.5302 9.5302 10.1249 10.1249 10.6785 10.6785 10.7431 10.7431 12.1179 12.1179 18.7324 18.7324 k = 0.3962-0.2288 0.3235 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3137 -34.3137 -34.2874 -34.2874 -33.6807 -33.6807 -33.6646 -33.6646 -4.3590 -4.3590 -4.3571 -4.3571 -3.9034 -3.9034 -3.9004 -3.9004 -3.8913 -3.8913 3.7220 3.7220 7.6747 7.6747 8.1007 8.1007 8.7567 8.7567 9.1238 9.1238 9.5413 9.5413 10.0286 10.0286 10.5594 10.5594 10.6595 10.6595 12.0849 12.0849 18.7458 18.7458 k = 0.4057-0.2342 0.3312 ( 6554 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3138 -34.3138 -34.2875 -34.2875 -33.6808 -33.6808 -33.6643 -33.6643 -4.3589 -4.3589 -4.3571 -4.3571 -3.9033 -3.9033 -3.9005 -3.9005 -3.8910 -3.8910 3.7489 3.7489 7.7259 7.7259 8.1051 8.1051 8.7976 8.7976 9.1611 9.1611 9.5532 9.5532 9.9321 9.9321 10.4413 10.4413 10.5773 10.5773 12.0580 12.0580 18.7583 18.7583 k = 0.4151-0.2397 0.3389 ( 6546 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3139 -34.3139 -34.2877 -34.2877 -33.6808 -33.6808 -33.6641 -33.6641 -4.3588 -4.3588 -4.3572 -4.3572 -3.9032 -3.9032 -3.9007 -3.9007 -3.8907 -3.8907 3.7731 3.7731 7.7826 7.7826 8.1091 8.1091 8.8393 8.8393 9.1986 9.1986 9.5664 9.5664 9.8358 9.8358 10.3257 10.3257 10.4966 10.4966 12.0362 12.0362 18.7697 18.7697 k = 0.4245-0.2451 0.3466 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3141 -34.3141 -34.2878 -34.2878 -33.6808 -33.6808 -33.6639 -33.6639 -4.3587 -4.3587 -4.3572 -4.3572 -3.9031 -3.9031 -3.9008 -3.9008 -3.8905 -3.8905 3.7947 3.7947 7.8443 7.8443 8.1128 8.1128 8.8807 8.8807 9.2356 9.2356 9.5813 9.5813 9.7407 9.7407 10.2140 10.2140 10.4176 10.4176 12.0184 12.0184 18.7800 18.7800 k = 0.4340-0.2505 0.3543 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3142 -34.3142 -34.2879 -34.2879 -33.6808 -33.6808 -33.6637 -33.6637 -4.3586 -4.3586 -4.3572 -4.3572 -3.9030 -3.9030 -3.9009 -3.9009 -3.8903 -3.8903 3.8135 3.8135 7.9104 7.9104 8.1160 8.1160 8.9206 8.9206 9.2713 9.2713 9.5989 9.5989 9.6489 9.6489 10.1073 10.1073 10.3405 10.3405 12.0040 12.0040 18.7892 18.7892 k = 0.4434-0.2560 0.3620 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3143 -34.3143 -34.2880 -34.2880 -33.6809 -33.6809 -33.6635 -33.6635 -4.3585 -4.3585 -4.3572 -4.3572 -3.9030 -3.9030 -3.9010 -3.9010 -3.8901 -3.8901 3.8298 3.8298 7.9798 7.9798 8.1188 8.1188 8.9561 8.9561 9.3045 9.3045 9.5640 9.5640 9.6200 9.6200 10.0061 10.0061 10.2653 10.2653 11.9924 11.9924 18.7973 18.7973 k = 0.4528-0.2614 0.3697 ( 6562 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3143 -34.3143 -34.2881 -34.2881 -33.6809 -33.6809 -33.6633 -33.6633 -4.3584 -4.3584 -4.3573 -4.3573 -3.9029 -3.9029 -3.9011 -3.9011 -3.8899 -3.8899 3.8434 3.8434 8.0511 8.0511 8.1211 8.1211 8.9828 8.9828 9.3341 9.3341 9.4921 9.4921 9.6457 9.6457 9.9108 9.9108 10.1924 10.1924 11.9832 11.9832 18.8042 18.8042 k = 0.4623-0.2669 0.3774 ( 6546 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2881 -34.2881 -33.6809 -33.6809 -33.6632 -33.6632 -4.3584 -4.3584 -4.3573 -4.3573 -3.9029 -3.9029 -3.9012 -3.9012 -3.8898 -3.8898 3.8544 3.8544 8.1220 8.1220 8.1231 8.1231 8.9938 8.9938 9.3588 9.3588 9.4423 9.4423 9.6769 9.6769 9.8216 9.8216 10.1219 10.1219 11.9761 11.9761 18.8098 18.8098 k = 0.4717-0.2723 0.3851 ( 6534 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2882 -34.2882 -33.6809 -33.6809 -33.6631 -33.6631 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9013 -3.9013 -3.8897 -3.8897 3.8630 3.8630 8.1246 8.1246 8.1891 8.1891 8.9843 8.9843 9.3781 9.3781 9.4230 9.4230 9.7139 9.7139 9.7386 9.7386 10.0543 10.0543 11.9708 11.9708 18.8142 18.8142 k = 0.4811-0.2778 0.3928 ( 6534 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2882 -34.2882 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9013 -3.9013 -3.8896 -3.8896 3.8691 3.8691 8.1257 8.1257 8.2471 8.2471 8.9594 8.9594 9.3918 9.3918 9.4342 9.4342 9.6625 9.6625 9.7562 9.7562 9.9903 9.9903 11.9671 11.9671 18.8174 18.8174 k = 0.4906-0.2832 0.4005 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3145 -34.3145 -34.2883 -34.2883 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9014 -3.9014 -3.8895 -3.8895 3.8727 3.8727 8.1263 8.1263 8.2879 8.2879 8.9339 8.9339 9.3998 9.3998 9.4667 9.4667 9.5954 9.5954 9.8015 9.8015 9.9322 9.9322 11.9649 11.9649 18.8193 18.8193 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3145 -34.3145 -34.2883 -34.2883 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9014 -3.9014 -3.8895 -3.8895 3.8739 3.8739 8.1265 8.1265 8.3029 8.3029 8.9232 8.9232 9.4024 9.4024 9.4959 9.4959 9.5555 9.5555 9.8318 9.8318 9.8976 9.8976 11.9642 11.9642 18.8200 18.8200 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3145 -34.3145 -34.2883 -34.2883 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9014 -3.9014 -3.8895 -3.8895 3.8739 3.8739 8.1265 8.1265 8.3029 8.3029 8.9232 8.9232 9.4024 9.4024 9.4959 9.4959 9.5555 9.5555 9.8318 9.8318 9.8976 9.8976 11.9642 11.9642 18.8200 18.8200 k = 0.5000-0.2780 0.4158 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2883 -34.2883 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9014 -3.9014 -3.8895 -3.8895 3.8750 3.8750 8.1258 8.1258 8.3020 8.3020 8.9202 8.9202 9.3709 9.3709 9.4739 9.4739 9.5876 9.5876 9.8369 9.8369 9.9160 9.9160 11.9708 11.9708 18.8194 18.8194 k = 0.5000-0.2673 0.4234 ( 6530 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2884 -34.2884 -33.6809 -33.6809 -33.6630 -33.6630 -4.3582 -4.3582 -4.3573 -4.3573 -3.9027 -3.9027 -3.9013 -3.9013 -3.8895 -3.8895 3.8784 3.8784 8.1234 8.1234 8.2995 8.2995 8.9096 8.9096 9.2941 9.2941 9.4588 9.4588 9.6244 9.6244 9.8437 9.8437 9.9720 9.9720 11.9909 11.9909 18.8179 18.8179 k = 0.5000-0.2566 0.4309 ( 6548 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3143 -34.3143 -34.2884 -34.2884 -33.6808 -33.6808 -33.6631 -33.6631 -4.3582 -4.3582 -4.3573 -4.3573 -3.9027 -3.9027 -3.9013 -3.9013 -3.8896 -3.8896 3.8841 3.8841 8.1194 8.1194 8.2953 8.2953 8.8854 8.8854 9.2105 9.2105 9.4493 9.4493 9.6508 9.6508 9.8483 9.8483 10.0527 10.0527 12.0247 12.0247 18.8153 18.8153 k = 0.5000-0.2459 0.4385 ( 6550 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3142 -34.3142 -34.2886 -34.2886 -33.6807 -33.6807 -33.6632 -33.6632 -4.3581 -4.3581 -4.3573 -4.3573 -3.9026 -3.9026 -3.9013 -3.9013 -3.8896 -3.8896 3.8919 3.8919 8.1136 8.1136 8.2896 8.2896 8.8381 8.8381 9.1436 9.1436 9.4401 9.4401 9.6719 9.6719 9.8522 9.8522 10.1427 10.1427 12.0729 12.0729 18.8120 18.8120 k = 0.5000-0.2352 0.4460 ( 6552 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3140 -34.3140 -34.2888 -34.2888 -33.6806 -33.6806 -33.6633 -33.6633 -4.3581 -4.3581 -4.3573 -4.3573 -3.9025 -3.9025 -3.9012 -3.9012 -3.8896 -3.8896 3.9019 3.9019 8.1056 8.1056 8.2826 8.2826 8.7629 8.7629 9.1035 9.1035 9.4306 9.4306 9.6913 9.6913 9.8562 9.8562 10.2327 10.2327 12.1358 12.1358 18.8080 18.8080 k = 0.5000-0.2245 0.4536 ( 6564 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3138 -34.3138 -34.2890 -34.2890 -33.6805 -33.6805 -33.6634 -33.6634 -4.3580 -4.3580 -4.3572 -4.3572 -3.9024 -3.9024 -3.9011 -3.9011 -3.8897 -3.8897 3.9141 3.9141 8.0949 8.0949 8.2742 8.2742 8.6677 8.6677 9.0852 9.0852 9.4208 9.4208 9.7102 9.7102 9.8607 9.8607 10.3180 10.3180 12.2140 12.2140 18.8035 18.8035 k = 0.5000-0.2138 0.4612 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3136 -34.3136 -34.2892 -34.2892 -33.6804 -33.6804 -33.6635 -33.6635 -4.3579 -4.3579 -4.3572 -4.3572 -3.9023 -3.9023 -3.9009 -3.9009 -3.8898 -3.8898 3.9282 3.9282 8.0802 8.0802 8.2648 8.2648 8.5641 8.5641 9.0796 9.0796 9.4108 9.4108 9.7291 9.7291 9.8657 9.8657 10.3962 10.3962 12.3075 12.3075 18.7989 18.7989 k = 0.5000-0.2031 0.4687 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3133 -34.3133 -34.2895 -34.2895 -33.6802 -33.6802 -33.6637 -33.6637 -4.3578 -4.3578 -4.3571 -4.3571 -3.9022 -3.9022 -3.9007 -3.9007 -3.8898 -3.8898 3.9443 3.9443 8.0595 8.0595 8.2542 8.2542 8.4614 8.4614 9.0811 9.0811 9.4009 9.4009 9.7482 9.7482 9.8712 9.8712 10.4659 10.4659 12.4161 12.4161 18.7942 18.7942 k = 0.5000-0.1925 0.4763 ( 6578 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3130 -34.3130 -34.2898 -34.2898 -33.6800 -33.6800 -33.6638 -33.6638 -4.3578 -4.3578 -4.3570 -4.3570 -3.9022 -3.9022 -3.9005 -3.9005 -3.8899 -3.8899 3.9621 3.9621 8.0288 8.0288 8.2422 8.2422 8.3677 8.3677 9.0864 9.0864 9.3912 9.3912 9.7674 9.7674 9.8773 9.8773 10.5270 10.5270 12.5391 12.5391 18.7899 18.7899 k = 0.5000-0.1818 0.4838 ( 6570 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3127 -34.3127 -34.2902 -34.2902 -33.6798 -33.6798 -33.6640 -33.6640 -4.3577 -4.3577 -4.3569 -4.3569 -3.9021 -3.9021 -3.9002 -3.9002 -3.8900 -3.8900 3.9817 3.9817 7.9825 7.9825 8.2270 8.2270 8.2925 8.2925 9.0940 9.0940 9.3818 9.3818 9.7865 9.7865 9.8839 9.8839 10.5796 10.5796 12.6757 12.6757 18.7861 18.7861 k = 0.5000-0.1711 0.4914 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3124 -34.3124 -34.2905 -34.2905 -33.6796 -33.6796 -33.6642 -33.6642 -4.3576 -4.3576 -4.3568 -4.3568 -3.9021 -3.9021 -3.8999 -3.8999 -3.8901 -3.8901 4.0028 4.0028 7.9169 7.9169 8.2036 8.2036 8.2465 8.2465 9.1030 9.1030 9.3728 9.3728 9.8055 9.8055 9.8909 9.8909 10.6243 10.6243 12.8246 12.8246 18.7828 18.7828 k = 0.5000-0.1604 0.4990 ( 6570 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3120 -34.3120 -34.2910 -34.2910 -33.6794 -33.6794 -33.6644 -33.6644 -4.3576 -4.3576 -4.3567 -4.3567 -3.9020 -3.9020 -3.8996 -3.8996 -3.8902 -3.8902 4.0252 4.0252 7.8349 7.8349 8.1747 8.1747 8.2249 8.2249 9.1129 9.1129 9.3641 9.3641 9.8241 9.8241 9.8984 9.8984 10.6621 10.6621 12.9846 12.9846 18.7801 18.7801 k = 0.5000-0.1497 0.5065 ( 6570 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3116 -34.3116 -34.2914 -34.2914 -33.6791 -33.6791 -33.6647 -33.6647 -4.3575 -4.3575 -4.3565 -4.3565 -3.9020 -3.9020 -3.8993 -3.8993 -3.8903 -3.8903 4.0488 4.0488 7.7437 7.7437 8.1509 8.1509 8.2110 8.2110 9.1232 9.1232 9.3559 9.3559 9.8421 9.8421 9.9061 9.9061 10.6938 10.6938 13.1545 13.1545 18.7772 18.7772 k = 0.5000-0.1390 0.5141 ( 6576 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3111 -34.3111 -34.2918 -34.2918 -33.6789 -33.6789 -33.6649 -33.6649 -4.3575 -4.3575 -4.3564 -4.3564 -3.9019 -3.9019 -3.8989 -3.8989 -3.8905 -3.8905 4.0732 4.0732 7.6494 7.6494 8.1325 8.1325 8.1992 8.1992 9.1337 9.1337 9.3481 9.3481 9.8596 9.8596 9.9140 9.9140 10.7203 10.7203 13.3331 13.3331 18.7717 18.7717 k = 0.5000-0.1283 0.5217 ( 6580 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3107 -34.3107 -34.2923 -34.2923 -33.6786 -33.6786 -33.6652 -33.6652 -4.3575 -4.3575 -4.3562 -4.3562 -3.9019 -3.9019 -3.8985 -3.8985 -3.8906 -3.8906 4.0982 4.0982 7.5556 7.5556 8.1178 8.1178 8.1886 8.1886 9.1442 9.1442 9.3407 9.3407 9.8762 9.8762 9.9221 9.9221 10.7424 10.7424 13.5195 13.5195 18.7541 18.7541 k = 0.5000-0.1176 0.5292 ( 6582 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3102 -34.3102 -34.2928 -34.2928 -33.6783 -33.6783 -33.6654 -33.6654 -4.3574 -4.3574 -4.3560 -4.3560 -3.9019 -3.9019 -3.8981 -3.8981 -3.8908 -3.8908 4.1236 4.1236 7.4645 7.4645 8.1056 8.1056 8.1786 8.1786 9.1544 9.1544 9.3336 9.3336 9.8920 9.8920 9.9301 9.9301 10.7608 10.7608 13.7125 13.7125 18.6834 18.6834 k = 0.5000-0.1069 0.5368 ( 6582 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3097 -34.3097 -34.2933 -34.2933 -33.6781 -33.6781 -33.6657 -33.6657 -4.3574 -4.3574 -4.3559 -4.3559 -3.9019 -3.9019 -3.8977 -3.8977 -3.8910 -3.8910 4.1489 4.1489 7.3776 7.3776 8.0950 8.0950 8.1695 8.1695 9.1644 9.1644 9.3270 9.3270 9.9067 9.9067 9.9380 9.9380 10.7760 10.7760 13.9115 13.9115 18.5134 18.5134 k = 0.5000-0.0962 0.5443 ( 6594 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3093 -34.3093 -34.2938 -34.2938 -33.6778 -33.6778 -33.6659 -33.6659 -4.3574 -4.3574 -4.3557 -4.3557 -3.9019 -3.9019 -3.8973 -3.8973 -3.8912 -3.8912 4.1738 4.1738 7.2960 7.2960 8.0858 8.0858 8.1610 8.1610 9.1739 9.1739 9.3207 9.3207 9.9203 9.9203 9.9457 9.9457 10.7886 10.7886 14.1157 14.1157 18.2969 18.2969 k = 0.5000-0.0855 0.5519 ( 6594 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3088 -34.3088 -34.2943 -34.2943 -33.6776 -33.6776 -33.6661 -33.6661 -4.3574 -4.3574 -4.3556 -4.3556 -3.9018 -3.9018 -3.8969 -3.8969 -3.8914 -3.8914 4.1978 4.1978 7.2205 7.2205 8.0777 8.0777 8.1534 8.1534 9.1830 9.1830 9.3148 9.3148 9.9327 9.9327 9.9530 9.9530 10.7990 10.7990 14.3244 14.3244 18.0674 18.0674 k = 0.5000-0.0748 0.5595 ( 6602 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3083 -34.3083 -34.2948 -34.2948 -33.6773 -33.6773 -33.6664 -33.6664 -4.3574 -4.3574 -4.3555 -4.3555 -3.9018 -3.9018 -3.8965 -3.8965 -3.8916 -3.8916 4.2205 4.2205 7.1519 7.1519 8.0706 8.0706 8.1465 8.1465 9.1914 9.1914 9.3092 9.3092 9.9438 9.9438 9.9598 9.9598 10.8074 10.8074 14.5371 14.5371 17.8333 17.8333 k = 0.5000-0.0642 0.5670 ( 6606 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3079 -34.3079 -34.2953 -34.2953 -33.6771 -33.6771 -33.6666 -33.6666 -4.3573 -4.3573 -4.3554 -4.3554 -3.9018 -3.9018 -3.8961 -3.8961 -3.8918 -3.8918 4.2415 4.2415 7.0909 7.0909 8.0645 8.0645 8.1405 8.1405 9.1993 9.1993 9.3040 9.3040 9.9535 9.9535 9.9660 9.9660 10.8143 10.8143 14.7530 14.7530 17.5975 17.5975 k = 0.5000-0.0535 0.5746 ( 6616 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3075 -34.3075 -34.2957 -34.2957 -33.6769 -33.6769 -33.6668 -33.6668 -4.3573 -4.3573 -4.3553 -4.3553 -3.9018 -3.9018 -3.8957 -3.8957 -3.8921 -3.8921 4.2603 4.2603 7.0380 7.0380 8.0593 8.0593 8.1353 8.1353 9.2064 9.2064 9.2992 9.2992 9.9618 9.9618 9.9715 9.9715 10.8198 10.8198 14.9713 14.9713 17.3617 17.3617 k = 0.5000-0.0428 0.5821 ( 6624 PWs) bands (ev): -80.3081 -80.3081 -47.1812 -47.1812 -34.3071 -34.3071 -34.2961 -34.2961 -33.6767 -33.6767 -33.6670 -33.6670 -4.3573 -4.3573 -4.3552 -4.3552 -3.9018 -3.9018 -3.8953 -3.8953 -3.8923 -3.8923 4.2765 4.2765 6.9938 6.9938 8.0551 8.0551 8.1311 8.1311 9.2127 9.2127 9.2948 9.2948 9.9686 9.9686 9.9761 9.9761 10.8240 10.8240 15.1910 15.1910 17.1274 17.1274 k = 0.5000-0.0321 0.5897 ( 6616 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3068 -34.3068 -34.2964 -34.2964 -33.6766 -33.6766 -33.6671 -33.6671 -4.3573 -4.3573 -4.3551 -4.3551 -3.9018 -3.9018 -3.8950 -3.8950 -3.8926 -3.8926 4.2895 4.2895 6.9589 6.9589 8.0517 8.0517 8.1277 8.1277 9.2180 9.2180 9.2910 9.2910 9.9740 9.9740 9.9798 9.9798 10.8272 10.8272 15.4101 15.4101 16.8968 16.8968 k = 0.5000-0.0214 0.5973 ( 6612 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3065 -34.3065 -34.2967 -34.2967 -33.6765 -33.6765 -33.6672 -33.6672 -4.3573 -4.3573 -4.3551 -4.3551 -3.9018 -3.9018 -3.8947 -3.8947 -3.8928 -3.8928 4.2991 4.2991 6.9336 6.9336 8.0494 8.0494 8.1254 8.1254 9.2221 9.2221 9.2881 9.2881 9.9779 9.9779 9.9825 9.9825 10.8294 10.8294 15.6237 15.6237 16.6749 16.6749 k = 0.5000-0.0107 0.6048 ( 6620 PWs) bands (ev): -80.3081 -80.3081 -47.1812 -47.1812 -34.3064 -34.3064 -34.2968 -34.2968 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8944 -3.8944 -3.8930 -3.8930 4.3050 4.3050 6.9183 6.9183 8.0479 8.0479 8.1239 8.1239 9.2247 9.2247 9.2861 9.2861 9.9803 9.9803 9.9841 9.9841 10.8307 10.8307 15.8153 15.8153 16.4784 16.4784 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3081 -80.3081 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8943 -3.8943 -3.8931 -3.8931 4.3070 4.3070 6.9132 6.9132 8.0475 8.0475 8.1234 8.1234 9.2256 9.2256 9.2855 9.2855 9.9810 9.9810 9.9846 9.9846 10.8311 10.8311 15.9128 15.9128 16.3792 16.3792 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3081 -80.3081 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8943 -3.8943 -3.8931 -3.8931 4.3070 4.3070 6.9132 6.9132 8.0475 8.0475 8.1234 8.1234 9.2256 9.2256 9.2855 9.2855 9.9810 9.9810 9.9846 9.9846 10.8311 10.8311 15.9128 15.9128 16.3792 16.3792 k = 0.4934 0.0114 0.6124 ( 6618 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3063 -34.3063 -34.2968 -34.2968 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8944 -3.8944 -3.8930 -3.8930 4.3061 4.3061 6.9140 6.9140 8.0463 8.0463 8.1250 8.1250 9.2180 9.2180 9.2911 9.2911 9.9608 9.9608 10.0074 10.0074 10.8337 10.8337 15.8578 15.8578 16.4343 16.4343 k = 0.4868 0.0228 0.6124 ( 6612 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3064 -34.3064 -34.2968 -34.2968 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8945 -3.8945 -3.8929 -3.8929 4.3035 4.3035 6.9164 6.9164 8.0433 8.0433 8.1291 8.1291 9.2011 9.2011 9.3018 9.3018 9.9415 9.9415 10.0350 10.0350 10.8410 10.8410 15.7339 15.7339 16.5590 16.5590 k = 0.4803 0.0342 0.6124 ( 6610 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3065 -34.3065 -34.2966 -34.2966 -33.6765 -33.6765 -33.6672 -33.6672 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8947 -3.8947 -3.8928 -3.8928 4.2996 4.2996 6.9202 6.9202 8.0391 8.0391 8.1353 8.1353 9.1804 9.1804 9.3111 9.3111 9.9256 9.9256 10.0653 10.0653 10.8531 10.8531 15.5850 15.5850 16.7101 16.7101 k = 0.4737 0.0456 0.6124 ( 6614 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3066 -34.3066 -34.2965 -34.2965 -33.6765 -33.6765 -33.6672 -33.6672 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8949 -3.8949 -3.8926 -3.8926 4.2944 4.2944 6.9252 6.9252 8.0344 8.0344 8.1427 8.1427 9.1580 9.1580 9.3166 9.3166 9.9138 9.9138 10.0981 10.0981 10.8699 10.8699 15.4273 15.4273 16.8719 16.8719 k = 0.4671 0.0570 0.6124 ( 6602 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3068 -34.3068 -34.2963 -34.2963 -33.6766 -33.6766 -33.6671 -33.6671 -4.3574 -4.3574 -4.3550 -4.3550 -3.9017 -3.9017 -3.8951 -3.8951 -3.8924 -3.8924 4.2884 4.2884 6.9312 6.9312 8.0295 8.0295 8.1511 8.1511 9.1347 9.1347 9.3174 9.3174 9.9062 9.9062 10.1328 10.1328 10.8912 10.8912 15.2667 15.2667 17.0386 17.0386 k = 0.4605 0.0684 0.6124 ( 6598 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3070 -34.3070 -34.2961 -34.2961 -33.6767 -33.6767 -33.6670 -33.6670 -4.3574 -4.3574 -4.3550 -4.3550 -3.9017 -3.9017 -3.8954 -3.8954 -3.8923 -3.8923 4.2816 4.2816 6.9380 6.9380 8.0248 8.0248 8.1601 8.1601 9.1110 9.1110 9.3136 9.3136 9.9026 9.9026 10.1686 10.1686 10.9173 10.9173 15.1063 15.1063 17.2075 17.2075 k = 0.4539 0.0798 0.6124 ( 6589 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3071 -34.3071 -34.2959 -34.2959 -33.6768 -33.6768 -33.6670 -33.6670 -4.3574 -4.3574 -4.3550 -4.3550 -3.9017 -3.9017 -3.8956 -3.8956 -3.8921 -3.8921 4.2744 4.2744 6.9452 6.9452 8.0204 8.0204 8.1694 8.1694 9.0870 9.0870 9.3057 9.3057 9.9024 9.9024 10.2049 10.2049 10.9482 10.9482 14.9479 14.9479 17.3767 17.3767 k = 0.4474 0.0912 0.6124 ( 6589 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3073 -34.3073 -34.2956 -34.2956 -33.6769 -33.6769 -33.6669 -33.6669 -4.3574 -4.3574 -4.3551 -4.3551 -3.9017 -3.9017 -3.8958 -3.8958 -3.8919 -3.8919 4.2670 4.2670 6.9528 6.9528 8.0164 8.0164 8.1791 8.1791 9.0629 9.0629 9.2948 9.2948 9.9049 9.9049 10.2405 10.2405 10.9839 10.9839 14.7928 14.7928 17.5443 17.5443 k = 0.4408 0.1026 0.6124 ( 6580 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3075 -34.3075 -34.2954 -34.2954 -33.6770 -33.6770 -33.6668 -33.6668 -4.3575 -4.3575 -4.3551 -4.3551 -3.9017 -3.9017 -3.8960 -3.8960 -3.8918 -3.8918 4.2595 4.2595 6.9606 6.9606 8.0129 8.0129 8.1889 8.1889 9.0390 9.0390 9.2818 9.2818 9.9092 9.9092 10.2746 10.2746 11.0242 11.0242 14.6425 14.6425 17.7083 17.7083 k = 0.4342 0.1140 0.6124 ( 6584 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3077 -34.3077 -34.2952 -34.2952 -33.6771 -33.6771 -33.6667 -33.6667 -4.3575 -4.3575 -4.3551 -4.3551 -3.9017 -3.9017 -3.8962 -3.8962 -3.8917 -3.8917 4.2521 4.2521 6.9682 6.9682 8.0100 8.0100 8.1987 8.1987 9.0155 9.0155 9.2679 9.2679 9.9147 9.9147 10.3064 10.3064 11.0687 11.0687 14.4980 14.4980 17.8660 17.8660 k = 0.4276 0.1253 0.6124 ( 6574 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3079 -34.3079 -34.2950 -34.2950 -33.6773 -33.6773 -33.6666 -33.6666 -4.3575 -4.3575 -4.3551 -4.3551 -3.9016 -3.9016 -3.8964 -3.8964 -3.8915 -3.8915 4.2451 4.2451 6.9756 6.9756 8.0074 8.0074 8.2085 8.2085 8.9926 8.9926 9.2539 9.2539 9.9207 9.9207 10.3353 10.3353 11.1166 11.1166 14.3609 14.3609 18.0139 18.0139 k = 0.4211 0.1367 0.6124 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3080 -34.3080 -34.2948 -34.2948 -33.6774 -33.6774 -33.6666 -33.6666 -4.3576 -4.3576 -4.3551 -4.3551 -3.9016 -3.9016 -3.8966 -3.8966 -3.8914 -3.8914 4.2386 4.2386 6.9825 6.9825 8.0054 8.0054 8.2179 8.2179 8.9707 8.9707 9.2405 9.2405 9.9267 9.9267 10.3608 10.3608 11.1666 11.1666 14.2325 14.2325 18.1475 18.1475 k = 0.4145 0.1481 0.6124 ( 6573 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3082 -34.3082 -34.2946 -34.2946 -33.6774 -33.6774 -33.6665 -33.6665 -4.3576 -4.3576 -4.3551 -4.3551 -3.9016 -3.9016 -3.8968 -3.8968 -3.8913 -3.8913 4.2326 4.2326 6.9888 6.9888 8.0037 8.0037 8.2270 8.2270 8.9502 8.9502 9.2281 9.2281 9.9325 9.9325 10.3827 10.3827 11.2172 11.2172 14.1147 14.1147 18.2623 18.2623 k = 0.4079 0.1595 0.6124 ( 6572 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3083 -34.3083 -34.2945 -34.2945 -33.6775 -33.6775 -33.6664 -33.6664 -4.3576 -4.3576 -4.3551 -4.3551 -3.9016 -3.9016 -3.8969 -3.8969 -3.8913 -3.8913 4.2274 4.2274 6.9943 6.9943 8.0024 8.0024 8.2353 8.2353 8.9316 8.9316 9.2173 9.2173 9.9377 9.9377 10.4010 10.4010 11.2661 11.2661 14.0092 14.0092 18.3546 18.3546 k = 0.4013 0.1709 0.6124 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3084 -34.3084 -34.2943 -34.2943 -33.6776 -33.6776 -33.6664 -33.6664 -4.3576 -4.3576 -4.3551 -4.3551 -3.9015 -3.9015 -3.8970 -3.8970 -3.8912 -3.8912 4.2229 4.2229 6.9991 6.9991 8.0014 8.0014 8.2427 8.2427 8.9155 8.9155 9.2082 9.2082 9.9422 9.9422 10.4158 10.4158 11.3113 11.3113 13.9184 13.9184 18.4239 18.4239 k = 0.3947 0.1823 0.6124 ( 6566 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3085 -34.3085 -34.2942 -34.2942 -33.6777 -33.6777 -33.6663 -33.6663 -4.3576 -4.3576 -4.3551 -4.3551 -3.9015 -3.9015 -3.8971 -3.8971 -3.8911 -3.8911 4.2194 4.2194 7.0028 7.0028 8.0007 8.0007 8.2488 8.2488 8.9023 8.9023 9.2009 9.2009 9.9458 9.9458 10.4271 10.4271 11.3500 11.3500 13.8444 13.8444 18.4723 18.4723 k = 0.3882 0.1937 0.6124 ( 6563 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3085 -34.3085 -34.2942 -34.2942 -33.6777 -33.6777 -33.6663 -33.6663 -4.3576 -4.3576 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2169 4.2169 7.0056 7.0056 8.0002 8.0002 8.2535 8.2535 8.8924 8.8924 9.1957 9.1957 9.9484 9.9484 10.4351 10.4351 11.3798 11.3798 13.7894 13.7894 18.5035 18.5035 k = 0.3816 0.2051 0.6124 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2153 4.2153 7.0072 7.0072 8.0000 8.0000 8.2564 8.2564 8.8864 8.8864 9.1926 9.1926 9.9500 9.9500 10.4398 10.4398 11.3988 11.3988 13.7556 13.7556 18.5207 18.5207 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2148 4.2148 7.0078 7.0078 7.9999 7.9999 8.2573 8.2573 8.8843 8.8843 9.1915 9.1915 9.9505 9.9505 10.4414 10.4414 11.4052 11.4052 13.7441 13.7441 18.5263 18.5263 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2148 4.2148 7.0078 7.0078 7.9999 7.9999 8.2573 8.2573 8.8843 8.8843 9.1915 9.1915 9.9505 9.9505 10.4414 10.4414 11.4052 11.4052 13.7441 13.7441 18.5263 18.5263 k = 0.3683 0.2126 0.6014 ( 6571 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3081 -34.3081 -34.2946 -34.2946 -33.6775 -33.6775 -33.6666 -33.6666 -4.3577 -4.3577 -4.3549 -4.3549 -3.9015 -3.9015 -3.8969 -3.8969 -3.8912 -3.8912 4.2406 4.2406 6.9076 6.9076 7.9816 7.9816 8.2414 8.2414 8.8904 8.8904 9.1929 9.1929 9.9781 9.9781 10.4456 10.4456 11.5159 11.5159 13.8702 13.8702 18.4823 18.4823 k = 0.3616 0.2088 0.5905 ( 6569 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3075 -34.3075 -34.2950 -34.2950 -33.6773 -33.6773 -33.6669 -33.6669 -4.3577 -4.3577 -4.3547 -4.3547 -3.9014 -3.9014 -3.8965 -3.8965 -3.8914 -3.8914 4.2644 4.2644 6.8130 6.8130 7.9639 7.9639 8.2255 8.2255 8.8991 8.8991 9.1937 9.1937 10.0057 10.0057 10.4505 10.4505 11.6282 11.6282 13.9917 13.9917 18.4355 18.4355 k = 0.3549 0.2049 0.5796 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3070 -34.3070 -34.2954 -34.2954 -33.6771 -33.6771 -33.6671 -33.6671 -4.3578 -4.3578 -4.3545 -4.3545 -3.9014 -3.9014 -3.8962 -3.8962 -3.8915 -3.8915 4.2856 4.2856 6.7248 6.7248 7.9467 7.9467 8.2099 8.2099 8.9097 8.9097 9.1944 9.1944 10.0323 10.0323 10.4570 10.4570 11.7420 11.7420 14.1079 14.1079 18.3865 18.3865 k = 0.3482 0.2010 0.5686 ( 6573 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3066 -34.3066 -34.2958 -34.2958 -33.6769 -33.6769 -33.6674 -33.6674 -4.3578 -4.3578 -4.3543 -4.3543 -3.9014 -3.9014 -3.8959 -3.8959 -3.8916 -3.8916 4.3032 4.3032 6.6440 6.6440 7.9302 7.9302 8.1947 8.1947 8.9214 8.9214 9.1954 9.1954 10.0569 10.0569 10.4664 10.4664 11.8574 11.8574 14.2179 14.2179 18.3362 18.3362 k = 0.3415 0.1972 0.5577 ( 6573 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3061 -34.3061 -34.2961 -34.2961 -33.6767 -33.6767 -33.6677 -33.6677 -4.3579 -4.3579 -4.3541 -4.3541 -3.9014 -3.9014 -3.8957 -3.8957 -3.8918 -3.8918 4.3165 4.3165 6.5715 6.5715 7.9145 7.9145 8.1801 8.1801 8.9332 8.9332 9.1973 9.1973 10.0785 10.0785 10.4798 10.4798 11.9741 11.9741 14.3211 14.3211 18.2854 18.2854 k = 0.3348 0.1933 0.5468 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3057 -34.3057 -34.2963 -34.2963 -33.6766 -33.6766 -33.6679 -33.6679 -4.3579 -4.3579 -4.3540 -4.3540 -3.9014 -3.9014 -3.8955 -3.8955 -3.8918 -3.8918 4.3245 4.3245 6.5084 6.5084 7.8996 7.8996 8.1663 8.1663 8.9443 8.9443 9.2008 9.2008 10.0959 10.0959 10.4984 10.4984 12.0923 12.0923 14.4172 14.4172 18.2347 18.2347 k = 0.3281 0.1894 0.5358 ( 6581 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3055 -34.3055 -34.2965 -34.2965 -33.6765 -33.6765 -33.6681 -33.6681 -4.3580 -4.3580 -4.3538 -4.3538 -3.9014 -3.9014 -3.8954 -3.8954 -3.8919 -3.8919 4.3264 4.3264 6.4555 6.4555 7.8858 7.8858 8.1534 8.1534 8.9537 8.9537 9.2065 9.2065 10.1086 10.1086 10.5230 10.5230 12.2117 12.2117 14.5057 14.5057 18.1847 18.1847 k = 0.3214 0.1856 0.5249 ( 6581 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3052 -34.3052 -34.2966 -34.2966 -33.6764 -33.6764 -33.6684 -33.6684 -4.3581 -4.3581 -4.3537 -4.3537 -3.9015 -3.9015 -3.8953 -3.8953 -3.8919 -3.8919 4.3214 4.3214 6.4136 6.4136 7.8729 7.8729 8.1415 8.1415 8.9605 8.9605 9.2152 9.2152 10.1163 10.1163 10.5537 10.5537 12.3323 12.3323 14.5865 14.5865 18.1358 18.1358 k = 0.3147 0.1817 0.5140 ( 6577 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3051 -34.3051 -34.2965 -34.2965 -33.6764 -33.6764 -33.6686 -33.6686 -4.3582 -4.3582 -4.3536 -4.3536 -3.9015 -3.9015 -3.8953 -3.8953 -3.8919 -3.8919 4.3090 4.3090 6.3832 6.3832 7.8613 7.8613 8.1306 8.1306 8.9642 8.9642 9.2270 9.2270 10.1194 10.1194 10.5904 10.5904 12.4540 12.4540 14.6598 14.6598 18.0883 18.0883 k = 0.3080 0.1778 0.5030 ( 6581 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3051 -34.3051 -34.2963 -34.2963 -33.6764 -33.6764 -33.6688 -33.6688 -4.3583 -4.3583 -4.3536 -4.3536 -3.9015 -3.9015 -3.8954 -3.8954 -3.8918 -3.8918 4.2890 4.2890 6.3645 6.3645 7.8508 7.8508 8.1208 8.1208 8.9646 8.9646 9.2420 9.2420 10.1186 10.1186 10.6325 10.6325 12.5768 12.5768 14.7257 14.7257 18.0421 18.0421 k = 0.3013 0.1740 0.4921 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3051 -34.3051 -34.2960 -34.2960 -33.6764 -33.6764 -33.6689 -33.6689 -4.3584 -4.3584 -4.3535 -4.3535 -3.9016 -3.9016 -3.8956 -3.8956 -3.8918 -3.8918 4.2612 4.2612 6.3575 6.3575 7.8416 7.8416 8.1121 8.1121 8.9619 8.9619 9.2599 9.2599 10.1146 10.1146 10.6794 10.6794 12.7006 12.7006 14.7848 14.7848 17.9970 17.9970 k = 0.2946 0.1701 0.4811 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3052 -34.3052 -34.2957 -34.2957 -33.6764 -33.6764 -33.6691 -33.6691 -4.3585 -4.3585 -4.3535 -4.3535 -3.9017 -3.9017 -3.8957 -3.8957 -3.8917 -3.8917 4.2260 4.2260 6.3620 6.3620 7.8337 7.8337 8.1047 8.1047 8.9563 8.9563 9.2800 9.2800 10.1086 10.1086 10.7303 10.7303 12.8253 12.8253 14.8375 14.8375 17.9522 17.9522 k = 0.2879 0.1662 0.4702 ( 6553 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3054 -34.3054 -34.2952 -34.2952 -33.6765 -33.6765 -33.6693 -33.6693 -4.3586 -4.3586 -4.3535 -4.3535 -3.9017 -3.9017 -3.8960 -3.8960 -3.8917 -3.8917 4.1840 4.1840 6.3772 6.3772 7.8271 7.8271 8.0985 8.0985 8.9484 8.9484 9.3016 9.3016 10.1012 10.1012 10.7846 10.7846 12.9507 12.9507 14.8846 14.8846 17.9057 17.9057 k = 0.2812 0.1624 0.4593 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2947 -34.2947 -33.6765 -33.6765 -33.6694 -33.6694 -4.3588 -4.3588 -4.3535 -4.3535 -3.9018 -3.9018 -3.8962 -3.8962 -3.8916 -3.8916 4.1358 4.1358 6.4023 6.4023 7.8218 7.8218 8.0937 8.0937 8.9386 8.9386 9.3238 9.3238 10.0933 10.0933 10.8420 10.8420 13.0768 13.0768 14.9269 14.9269 17.8473 17.8473 k = 0.2746 0.1585 0.4483 ( 6567 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3058 -34.3058 -34.2942 -34.2942 -33.6766 -33.6766 -33.6696 -33.6696 -4.3589 -4.3589 -4.3536 -4.3536 -3.9019 -3.9019 -3.8965 -3.8965 -3.8916 -3.8916 4.0823 4.0823 6.4364 6.4364 7.8179 7.8179 8.0902 8.0902 8.9272 8.9272 9.3459 9.3459 10.0859 10.0859 10.9018 10.9018 13.2033 13.2033 14.9652 14.9652 17.7420 17.7420 k = 0.2679 0.1546 0.4374 ( 6565 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2936 -34.2936 -33.6768 -33.6768 -33.6697 -33.6697 -4.3591 -4.3591 -4.3537 -4.3537 -3.9021 -3.9021 -3.8968 -3.8968 -3.8916 -3.8916 4.0243 4.0243 6.4786 6.4786 7.8152 7.8152 8.0881 8.0881 8.9146 8.9146 9.3672 9.3672 10.0796 10.0796 10.9639 10.9639 13.3302 13.3302 15.0005 15.0005 17.5984 17.5984 k = 0.2612 0.1508 0.4265 ( 6557 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3064 -34.3064 -34.2930 -34.2930 -33.6769 -33.6769 -33.6698 -33.6698 -4.3592 -4.3592 -4.3538 -4.3538 -3.9022 -3.9022 -3.8971 -3.8971 -3.8917 -3.8917 3.9627 3.9627 6.5277 6.5277 7.8138 7.8138 8.0876 8.0876 8.9012 8.9012 9.3867 9.3867 10.0754 10.0754 11.0279 11.0279 13.4572 13.4572 15.0336 15.0336 17.4470 17.4470 k = 0.2545 0.1469 0.4155 ( 6553 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3066 -34.3066 -34.2924 -34.2924 -33.6770 -33.6770 -33.6700 -33.6700 -4.3594 -4.3594 -4.3540 -4.3540 -3.9023 -3.9023 -3.8974 -3.8974 -3.8918 -3.8918 3.8983 3.8983 6.5828 6.5828 7.8136 7.8136 8.0886 8.0886 8.8871 8.8871 9.4038 9.4038 10.0741 10.0741 11.0936 11.0936 13.5841 13.5841 15.0652 15.0652 17.2948 17.2948 k = 0.2478 0.1430 0.4046 ( 6561 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3069 -34.3069 -34.2918 -34.2918 -33.6772 -33.6772 -33.6701 -33.6701 -4.3596 -4.3596 -4.3541 -4.3541 -3.9025 -3.9025 -3.8977 -3.8977 -3.8919 -3.8919 3.8317 3.8317 6.6431 6.6431 7.8145 7.8145 8.0913 8.0913 8.8725 8.8725 9.4176 9.4176 10.0764 10.0764 11.1607 11.1607 13.7106 13.7106 15.0962 15.0962 17.1438 17.1438 k = 0.2411 0.1392 0.3937 ( 6553 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3071 -34.3071 -34.2912 -34.2912 -33.6773 -33.6773 -33.6703 -33.6703 -4.3598 -4.3598 -4.3543 -4.3543 -3.9027 -3.9027 -3.8980 -3.8980 -3.8920 -3.8920 3.7637 3.7637 6.7075 6.7075 7.8164 7.8164 8.0958 8.0958 8.8577 8.8577 9.4278 9.4278 10.0832 10.0832 11.2292 11.2292 13.8363 13.8363 15.1271 15.1271 16.9949 16.9949 k = 0.2344 0.1353 0.3827 ( 6553 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3073 -34.3073 -34.2906 -34.2906 -33.6775 -33.6775 -33.6705 -33.6705 -4.3600 -4.3600 -4.3546 -4.3546 -3.9029 -3.9029 -3.8983 -3.8983 -3.8922 -3.8922 3.6948 3.6948 6.7753 6.7753 7.8192 7.8192 8.1021 8.1021 8.8428 8.8428 9.4338 9.4338 10.0950 10.0950 11.2987 11.2987 13.9607 13.9607 15.1585 15.1585 16.8492 16.8492 k = 0.2277 0.1315 0.3718 ( 6553 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3075 -34.3075 -34.2900 -34.2900 -33.6777 -33.6777 -33.6707 -33.6707 -4.3602 -4.3602 -4.3548 -4.3548 -3.9031 -3.9031 -3.8987 -3.8987 -3.8924 -3.8924 3.6254 3.6254 6.8456 6.8456 7.8229 7.8229 8.1106 8.1106 8.8279 8.8279 9.4355 9.4355 10.1122 10.1122 11.3692 11.3692 14.0832 14.0832 15.1907 15.1907 16.7077 16.7077 k = 0.2210 0.1276 0.3609 ( 6551 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3077 -34.3077 -34.2894 -34.2894 -33.6778 -33.6778 -33.6709 -33.6709 -4.3604 -4.3604 -4.3551 -4.3551 -3.9034 -3.9034 -3.8990 -3.8990 -3.8927 -3.8927 3.5559 3.5559 6.9178 6.9178 7.8272 7.8272 8.1212 8.1212 8.8133 8.8133 9.4330 9.4330 10.1349 10.1349 11.4404 11.4404 14.2030 14.2030 15.2237 15.2237 16.5718 16.5718 k = 0.2143 0.1237 0.3499 ( 6541 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3078 -34.3078 -34.2888 -34.2888 -33.6779 -33.6779 -33.6711 -33.6711 -4.3606 -4.3606 -4.3554 -4.3554 -3.9036 -3.9036 -3.8993 -3.8993 -3.8930 -3.8930 3.4868 3.4868 6.9910 6.9910 7.8321 7.8321 8.1342 8.1342 8.7990 8.7990 9.4266 9.4266 10.1631 10.1631 11.5123 11.5123 14.3188 14.3188 15.2572 15.2572 16.4435 16.4435 k = 0.2076 0.1199 0.3390 ( 6559 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3080 -34.3080 -34.2882 -34.2882 -33.6781 -33.6781 -33.6713 -33.6713 -4.3609 -4.3609 -4.3558 -4.3558 -3.9039 -3.9039 -3.8996 -3.8996 -3.8933 -3.8933 3.4183 3.4183 7.0646 7.0646 7.8375 7.8375 8.1498 8.1498 8.7851 8.7851 9.4169 9.4169 10.1965 10.1965 11.5846 11.5846 14.4292 14.4292 15.2905 15.2905 16.3254 16.3254 k = 0.2009 0.1160 0.3281 ( 6569 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3081 -34.3081 -34.2877 -34.2877 -33.6782 -33.6782 -33.6716 -33.6716 -4.3611 -4.3611 -4.3561 -4.3561 -3.9042 -3.9042 -3.8999 -3.8999 -3.8937 -3.8937 3.3507 3.3507 7.1377 7.1377 7.8430 7.8430 8.1680 8.1680 8.7718 8.7718 9.4043 9.4043 10.2350 10.2350 11.6571 11.6571 14.5317 14.5317 15.3221 15.3221 16.2219 16.2219 k = 0.1942 0.1121 0.3171 ( 6565 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3082 -34.3082 -34.2871 -34.2871 -33.6783 -33.6783 -33.6718 -33.6718 -4.3613 -4.3613 -4.3565 -4.3565 -3.9045 -3.9045 -3.9002 -3.9002 -3.8941 -3.8941 3.2842 3.2842 7.2097 7.2097 7.8488 7.8488 8.1891 8.1891 8.7593 8.7593 9.3896 9.3896 10.2783 10.2783 11.7296 11.7296 14.6227 14.6227 15.3502 15.3502 16.1384 16.1384 k = 0.1875 0.1083 0.3062 ( 6575 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3082 -34.3082 -34.2866 -34.2866 -33.6785 -33.6785 -33.6721 -33.6721 -4.3616 -4.3616 -4.3569 -4.3569 -3.9049 -3.9049 -3.9005 -3.9005 -3.8945 -3.8945 3.2190 3.2190 7.2798 7.2798 7.8546 7.8546 8.2132 8.2132 8.7476 8.7476 9.3732 9.3732 10.3262 10.3262 11.8020 11.8020 14.6970 14.6970 15.3735 15.3735 16.0817 16.0817 k = 0.1808 0.1044 0.2953 ( 6547 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3083 -34.3083 -34.2861 -34.2861 -33.6786 -33.6786 -33.6724 -33.6724 -4.3618 -4.3618 -4.3573 -4.3573 -3.9052 -3.9052 -3.9008 -3.9008 -3.8949 -3.8949 3.1552 3.1552 7.3473 7.3473 7.8604 7.8604 8.2403 8.2403 8.7369 8.7369 9.3558 9.3558 10.3787 10.3787 11.8741 11.8741 14.7472 14.7472 15.3938 15.3938 16.0572 16.0572 k = 0.1741 0.1005 0.2843 ( 6549 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3083 -34.3083 -34.2856 -34.2856 -33.6786 -33.6786 -33.6727 -33.6727 -4.3621 -4.3621 -4.3577 -4.3577 -3.9056 -3.9056 -3.9011 -3.9011 -3.8954 -3.8954 3.0931 3.0931 7.4115 7.4115 7.8661 7.8661 8.2705 8.2705 8.7273 8.7273 9.3379 9.3379 10.4356 10.4356 11.9455 11.9455 14.7655 14.7655 15.4178 15.4178 16.0662 16.0662 k = 0.1674 0.0967 0.2734 ( 6545 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3083 -34.3083 -34.2851 -34.2851 -33.6787 -33.6787 -33.6730 -33.6730 -4.3623 -4.3623 -4.3582 -4.3582 -3.9059 -3.9059 -3.9013 -3.9013 -3.8959 -3.8959 3.0326 3.0326 7.4720 7.4720 7.8715 7.8715 8.3037 8.3037 8.7189 8.7189 9.3198 9.3198 10.4970 10.4970 12.0162 12.0162 14.7482 14.7482 15.4529 15.4529 16.1047 16.1047 k = 0.1607 0.0928 0.2624 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3083 -34.3083 -34.2846 -34.2846 -33.6788 -33.6788 -33.6733 -33.6733 -4.3626 -4.3626 -4.3586 -4.3586 -3.9063 -3.9063 -3.9016 -3.9016 -3.8964 -3.8964 2.9740 2.9740 7.5281 7.5281 7.8767 7.8767 8.3395 8.3395 8.7121 8.7121 9.3021 9.3021 10.5629 10.5629 12.0858 12.0858 14.6991 14.6991 15.5013 15.5013 16.1663 16.1663 k = 0.1540 0.0889 0.2515 ( 6537 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3082 -34.3082 -34.2842 -34.2842 -33.6789 -33.6789 -33.6736 -33.6736 -4.3628 -4.3628 -4.3591 -4.3591 -3.9067 -3.9067 -3.9018 -3.9018 -3.8969 -3.8969 2.9173 2.9173 7.5797 7.5797 7.8817 7.8817 8.3776 8.3776 8.7070 8.7070 9.2851 9.2851 10.6333 10.6333 12.1540 12.1540 14.6264 14.6264 15.5603 15.5603 16.2449 16.2449 k = 0.1473 0.0851 0.2406 ( 6537 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3082 -34.3082 -34.2838 -34.2838 -33.6789 -33.6789 -33.6739 -33.6739 -4.3631 -4.3631 -4.3595 -4.3595 -3.9071 -3.9071 -3.9021 -3.9021 -3.8974 -3.8974 2.8626 2.8626 7.6264 7.6264 7.8862 7.8862 8.4172 8.4172 8.7040 8.7040 9.2690 9.2690 10.7083 10.7083 12.2207 12.2207 14.5383 14.5383 15.6259 15.6259 16.3352 16.3352 k = 0.1406 0.0812 0.2296 ( 6539 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3081 -34.3081 -34.2834 -34.2834 -33.6790 -33.6790 -33.6743 -33.6743 -4.3633 -4.3633 -4.3600 -4.3600 -3.9075 -3.9075 -3.9023 -3.9023 -3.8979 -3.8979 2.8100 2.8100 7.6684 7.6684 7.8904 7.8904 8.4571 8.4571 8.7037 8.7037 9.2542 9.2542 10.7881 10.7881 12.2855 12.2855 14.4411 14.4411 15.6945 15.6945 16.4325 16.4325 k = 0.1339 0.0773 0.2187 ( 6539 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3080 -34.3080 -34.2830 -34.2830 -33.6790 -33.6790 -33.6746 -33.6746 -4.3635 -4.3635 -4.3605 -4.3605 -3.9079 -3.9079 -3.9025 -3.9025 -3.8985 -3.8985 2.7595 2.7595 7.7056 7.7056 7.8942 7.8942 8.4958 8.4958 8.7073 8.7073 9.2409 9.2409 10.8726 10.8726 12.3483 12.3483 14.3388 14.3388 15.7631 15.7631 16.5290 16.5290 k = 0.1272 0.0735 0.2078 ( 6533 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3079 -34.3079 -34.2827 -34.2827 -33.6790 -33.6790 -33.6749 -33.6749 -4.3638 -4.3638 -4.3609 -4.3609 -3.9083 -3.9083 -3.9028 -3.9028 -3.8990 -3.8990 2.7112 2.7112 7.7383 7.7383 7.8976 7.8976 8.5311 8.5311 8.7162 8.7162 9.2292 9.2292 10.9619 10.9619 12.4086 12.4086 14.2343 14.2343 15.8286 15.8286 16.5833 16.5833 k = 0.1205 0.0696 0.1968 ( 6533 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3078 -34.3078 -34.2823 -34.2823 -33.6791 -33.6791 -33.6753 -33.6753 -4.3640 -4.3640 -4.3614 -4.3614 -3.9087 -3.9087 -3.9030 -3.9030 -3.8995 -3.8995 2.6652 2.6652 7.7668 7.7668 7.9006 7.9006 8.5603 8.5603 8.7325 8.7325 9.2193 9.2193 11.0560 11.0560 12.4662 12.4662 14.1294 14.1294 15.8862 15.8862 16.5416 16.5416 k = 0.1138 0.0657 0.1859 ( 6539 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3077 -34.3077 -34.2820 -34.2820 -33.6791 -33.6791 -33.6756 -33.6756 -4.3642 -4.3642 -4.3618 -4.3618 -3.9091 -3.9091 -3.9032 -3.9032 -3.9000 -3.9000 2.6214 2.6214 7.7915 7.7915 7.9031 7.9031 8.5817 8.5817 8.7571 8.7571 9.2113 9.2113 11.1547 11.1547 12.5210 12.5210 14.0256 14.0256 15.9282 15.9282 16.4853 16.4853 k = 0.1071 0.0619 0.1750 ( 6539 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3076 -34.3076 -34.2817 -34.2817 -33.6791 -33.6791 -33.6759 -33.6759 -4.3644 -4.3644 -4.3623 -4.3623 -3.9094 -3.9094 -3.9034 -3.9034 -3.9005 -3.9005 2.5800 2.5800 7.8127 7.8127 7.9052 7.9052 8.5959 8.5959 8.7892 8.7892 9.2051 9.2051 11.2580 11.2580 12.5725 12.5725 13.9239 13.9239 15.9420 15.9420 16.4483 16.4483 k = 0.1004 0.0580 0.1640 ( 6539 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3075 -34.3075 -34.2815 -34.2815 -33.6791 -33.6791 -33.6763 -33.6763 -4.3647 -4.3647 -4.3627 -4.3627 -3.9098 -3.9098 -3.9036 -3.9036 -3.9010 -3.9010 2.5410 2.5410 7.8307 7.8307 7.9069 7.9069 8.6046 8.6046 8.8262 8.8262 9.2007 9.2007 11.3654 11.3654 12.6207 12.6207 13.8253 13.8253 15.9163 15.9163 16.4448 16.4448 k = 0.0938 0.0541 0.1531 ( 6551 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3073 -34.3073 -34.2812 -34.2812 -33.6791 -33.6791 -33.6766 -33.6766 -4.3649 -4.3649 -4.3631 -4.3631 -3.9102 -3.9102 -3.9037 -3.9037 -3.9015 -3.9015 2.5043 2.5043 7.8459 7.8459 7.9082 7.9082 8.6099 8.6099 8.8656 8.8656 9.1980 9.1980 11.4768 11.4768 12.6654 12.6654 13.7304 13.7304 15.8526 15.8526 16.4742 16.4742 k = 0.0871 0.0503 0.1422 ( 6551 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3072 -34.3072 -34.2810 -34.2810 -33.6791 -33.6791 -33.6769 -33.6769 -4.3650 -4.3650 -4.3635 -4.3635 -3.9105 -3.9105 -3.9039 -3.9039 -3.9019 -3.9019 2.4700 2.4700 7.8586 7.8586 7.9092 7.9092 8.6131 8.6131 8.9059 8.9059 9.1968 9.1968 11.5917 11.5917 12.7063 12.7063 13.6401 13.6401 15.7620 15.7620 16.5258 16.5258 k = 0.0804 0.0464 0.1312 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3071 -34.3071 -34.2808 -34.2808 -33.6791 -33.6791 -33.6772 -33.6772 -4.3652 -4.3652 -4.3639 -4.3639 -3.9108 -3.9108 -3.9040 -3.9040 -3.9024 -3.9024 2.4383 2.4383 7.8691 7.8691 7.9098 7.9098 8.6151 8.6151 8.9459 8.9459 9.1969 9.1969 11.7095 11.7095 12.7435 12.7435 13.5550 13.5550 15.6547 15.6547 16.5901 16.5901 k = 0.0737 0.0425 0.1203 ( 6551 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3069 -34.3069 -34.2806 -34.2806 -33.6791 -33.6791 -33.6774 -33.6774 -4.3654 -4.3654 -4.3643 -4.3643 -3.9111 -3.9111 -3.9042 -3.9042 -3.9028 -3.9028 2.4089 2.4089 7.8778 7.8778 7.9101 7.9101 8.6162 8.6162 8.9847 8.9847 9.1981 9.1981 11.8293 11.8293 12.7768 12.7768 13.4759 13.4759 15.5369 15.5369 16.6613 16.6613 k = 0.0670 0.0387 0.1094 ( 6545 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3068 -34.3068 -34.2804 -34.2804 -33.6791 -33.6791 -33.6777 -33.6777 -4.3656 -4.3656 -4.3646 -4.3646 -3.9114 -3.9114 -3.9043 -3.9043 -3.9031 -3.9031 2.3821 2.3821 7.8849 7.8849 7.9102 7.9102 8.6168 8.6168 9.0219 9.0219 9.2002 9.2002 11.9503 11.9503 12.8065 12.8065 13.4036 13.4036 15.4123 15.4123 16.7366 16.7366 k = 0.0603 0.0348 0.0984 ( 6537 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3067 -34.3067 -34.2803 -34.2803 -33.6791 -33.6791 -33.6779 -33.6779 -4.3657 -4.3657 -4.3649 -4.3649 -3.9117 -3.9117 -3.9044 -3.9044 -3.9035 -3.9035 2.3578 2.3578 7.8906 7.8906 7.9101 7.9101 8.6171 8.6171 9.0569 9.0569 9.2029 9.2029 12.0709 12.0709 12.8327 12.8327 13.3388 13.3388 15.2836 15.2836 16.8146 16.8146 k = 0.0536 0.0309 0.0875 ( 6537 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3066 -34.3066 -34.2802 -34.2802 -33.6790 -33.6790 -33.6781 -33.6781 -4.3658 -4.3658 -4.3652 -4.3652 -3.9120 -3.9120 -3.9046 -3.9046 -3.9038 -3.9038 2.3360 2.3360 7.8951 7.8951 7.9098 7.9098 8.6172 8.6172 9.0894 9.0894 9.2060 9.2060 12.1892 12.1892 12.8563 12.8563 13.2824 13.2824 15.1528 15.1528 16.8943 16.8943 k = 0.0469 0.0271 0.0765 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3065 -34.3065 -34.2800 -34.2800 -33.6790 -33.6790 -33.6783 -33.6783 -4.3659 -4.3659 -4.3655 -4.3655 -3.9122 -3.9122 -3.9047 -3.9047 -3.9041 -3.9041 2.3167 2.3167 7.8986 7.8986 7.9094 7.9094 8.6172 8.6172 9.1191 9.1191 9.2092 9.2092 12.3023 12.3023 12.8788 12.8788 13.2350 13.2350 15.0218 15.0218 16.9753 16.9753 k = 0.0402 0.0232 0.0656 ( 6527 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3064 -34.3064 -34.2799 -34.2799 -33.6790 -33.6790 -33.6785 -33.6785 -4.3660 -4.3660 -4.3657 -4.3657 -3.9124 -3.9124 -3.9047 -3.9047 -3.9043 -3.9043 2.3000 2.3000 7.9013 7.9013 7.9090 7.9090 8.6171 8.6171 9.1456 9.1456 9.2124 9.2124 12.4059 12.4059 12.9029 12.9029 13.1968 13.1968 14.8930 14.8930 17.0569 17.0569 k = 0.0335 0.0193 0.0547 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3063 -34.3063 -34.2799 -34.2799 -33.6790 -33.6790 -33.6786 -33.6786 -4.3661 -4.3661 -4.3659 -4.3659 -3.9125 -3.9125 -3.9048 -3.9048 -3.9045 -3.9045 2.2858 2.2858 7.9034 7.9034 7.9086 7.9086 8.6170 8.6170 9.1686 9.1686 9.2154 9.2154 12.4941 12.4941 12.9329 12.9329 13.1678 13.1678 14.7691 14.7691 17.1380 17.1380 k = 0.0268 0.0155 0.0437 ( 6537 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3062 -34.3062 -34.2798 -34.2798 -33.6790 -33.6790 -33.6788 -33.6788 -4.3662 -4.3662 -4.3661 -4.3661 -3.9127 -3.9127 -3.9049 -3.9049 -3.9047 -3.9047 2.2742 2.2742 7.9049 7.9049 7.9082 7.9082 8.6169 8.6169 9.1878 9.1878 9.2180 9.2180 12.5613 12.5613 12.9724 12.9724 13.1469 13.1469 14.6537 14.6537 17.2169 17.2169 k = 0.0201 0.0116 0.0328 ( 6541 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3062 -34.3062 -34.2797 -34.2797 -33.6790 -33.6790 -33.6789 -33.6789 -4.3663 -4.3663 -4.3662 -4.3662 -3.9128 -3.9128 -3.9049 -3.9049 -3.9048 -3.9048 2.2652 2.2652 7.9060 7.9060 7.9078 7.9078 8.6168 8.6168 9.2031 9.2031 9.2202 9.2202 12.6056 12.6056 13.0204 13.0204 13.1328 13.1328 14.5518 14.5518 17.2905 17.2905 k = 0.0134 0.0077 0.0219 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6789 -33.6789 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9049 -3.9049 2.2588 2.2588 7.9067 7.9067 7.9075 7.9075 8.6167 8.6167 9.2142 9.2142 9.2218 9.2218 12.6307 12.6307 13.0685 13.0685 13.1241 13.1241 14.4700 14.4700 17.3537 17.3537 k = 0.0067 0.0039 0.0109 ( 6585 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6790 -33.6790 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9050 -3.9050 2.2549 2.2549 7.9071 7.9071 7.9073 7.9073 8.6166 8.6166 9.2209 9.2209 9.2228 9.2228 12.6428 12.6428 13.1045 13.1045 13.1193 13.1193 14.4161 14.4161 17.3983 17.3983 k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6790 -33.6790 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9050 -3.9050 2.2536 2.2536 7.9073 7.9073 7.9073 7.9073 8.6166 8.6166 9.2231 9.2231 9.2231 9.2231 12.6464 12.6464 13.1179 13.1179 13.1179 13.1179 14.3972 14.3972 17.4147 17.4147 k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6790 -33.6790 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9050 -3.9050 2.2536 2.2536 7.9073 7.9073 7.9073 7.9073 8.6166 8.6166 9.2231 9.2231 9.2231 9.2231 12.6464 12.6464 13.1179 13.1179 13.1179 13.1179 14.3972 14.3972 17.4147 17.4147 k = 0.0109 0.0063 0.0044 ( 6585 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6790 -33.6790 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9050 -3.9050 2.2549 2.2549 7.9072 7.9072 7.9073 7.9073 8.6166 8.6166 9.2212 9.2212 9.2225 9.2225 12.6428 12.6428 13.1041 13.1041 13.1200 13.1200 14.4159 14.4159 17.3985 17.3985 k = 0.0217 0.0126 0.0089 ( 6558 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3061 -34.3061 -34.2797 -34.2797 -33.6790 -33.6790 -33.6789 -33.6789 -4.3663 -4.3663 -4.3663 -4.3663 -3.9129 -3.9129 -3.9050 -3.9050 -3.9049 -3.9049 2.2587 2.2587 7.9068 7.9068 7.9074 7.9074 8.6167 8.6167 9.2155 9.2155 9.2206 9.2206 12.6303 12.6303 13.0678 13.0678 13.1262 13.1262 14.4689 14.4689 17.3542 17.3542 k = 0.0326 0.0188 0.0133 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3062 -34.3062 -34.2798 -34.2798 -33.6790 -33.6790 -33.6789 -33.6789 -4.3663 -4.3663 -4.3662 -4.3662 -3.9128 -3.9128 -3.9049 -3.9049 -3.9048 -3.9048 2.2651 2.2651 7.9063 7.9063 7.9075 7.9075 8.6168 8.6168 9.2061 9.2061 9.2175 9.2175 12.6026 12.6026 13.0224 13.0224 13.1366 13.1366 14.5488 14.5488 17.2911 17.2911 k = 0.0435 0.0251 0.0177 ( 6528 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3062 -34.3062 -34.2798 -34.2798 -33.6790 -33.6790 -33.6788 -33.6788 -4.3662 -4.3662 -4.3661 -4.3661 -3.9127 -3.9127 -3.9049 -3.9049 -3.9047 -3.9047 2.2740 2.2740 7.9055 7.9055 7.9075 7.9075 8.6168 8.6168 9.1931 9.1931 9.2134 9.2134 12.5513 12.5513 12.9842 12.9842 13.1509 13.1509 14.6475 14.6475 17.2173 17.2173 k = 0.0543 0.0314 0.0222 ( 6528 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3063 -34.3063 -34.2799 -34.2799 -33.6790 -33.6790 -33.6786 -33.6786 -4.3661 -4.3661 -4.3659 -4.3659 -3.9126 -3.9126 -3.9048 -3.9048 -3.9045 -3.9045 2.2855 2.2855 7.9043 7.9043 7.9075 7.9075 8.6169 8.6169 9.1767 9.1767 9.2083 9.2083 12.4718 12.4718 12.9642 12.9642 13.1691 13.1691 14.7583 14.7583 17.1382 17.1382 k = 0.0652 0.0377 0.0266 ( 6531 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3064 -34.3064 -34.2799 -34.2799 -33.6790 -33.6790 -33.6785 -33.6785 -4.3660 -4.3660 -4.3657 -4.3657 -3.9124 -3.9124 -3.9048 -3.9048 -3.9043 -3.9043 2.2995 2.2995 7.9028 7.9028 7.9071 7.9071 8.6170 8.6170 9.1571 9.1571 9.2024 9.2024 12.3675 12.3675 12.9636 12.9636 13.1911 13.1911 14.8762 14.8762 17.0572 17.0572 k = 0.0761 0.0439 0.0311 ( 6534 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3065 -34.3065 -34.2800 -34.2800 -33.6790 -33.6790 -33.6783 -33.6783 -4.3659 -4.3659 -4.3655 -4.3655 -3.9122 -3.9122 -3.9047 -3.9047 -3.9041 -3.9041 2.3161 2.3161 7.9008 7.9008 7.9064 7.9064 8.6170 8.6170 9.1347 9.1347 9.1959 9.1959 12.2460 12.2460 12.9781 12.9781 13.2165 13.2165 14.9973 14.9973 16.9766 16.9766 k = 0.0870 0.0502 0.0355 ( 6528 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3065 -34.3065 -34.2801 -34.2801 -33.6790 -33.6790 -33.6781 -33.6781 -4.3658 -4.3658 -4.3652 -4.3652 -3.9120 -3.9120 -3.9046 -3.9046 -3.9038 -3.9038 2.3352 2.3352 7.8983 7.8983 7.9051 7.9051 8.6170 8.6170 9.1096 9.1096 9.1892 9.1892 12.1137 12.1137 13.0034 13.0034 13.2452 13.2452 15.1188 15.1188 16.8981 16.8981 k = 0.0978 0.0565 0.0399 ( 6534 PWs) bands (ev): -80.3081 -80.3081 -47.1806 -47.1806 -34.3067 -34.3067 -34.2803 -34.2803 -33.6791 -33.6791 -33.6779 -33.6779 -4.3657 -4.3657 -4.3650 -4.3650 -3.9117 -3.9117 -3.9045 -3.9045 -3.9035 -3.9035 2.3568 2.3568 7.8952 7.8952 7.9030 7.9030 8.6168 8.6168 9.0821 9.0821 9.1823 9.1823 11.9749 11.9749 13.0366 13.0366 13.2769 13.2769 15.2382 15.2382 16.8231 16.8231 k = 0.1087 0.0628 0.0444 ( 6540 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3068 -34.3068 -34.2804 -34.2804 -33.6791 -33.6791 -33.6777 -33.6777 -4.3655 -4.3655 -4.3646 -4.3646 -3.9115 -3.9115 -3.9043 -3.9043 -3.9031 -3.9031 2.3810 2.3810 7.8913 7.8913 7.9000 7.9000 8.6165 8.6165 9.0527 9.0527 9.1756 9.1756 11.8328 11.8328 13.0756 13.0756 13.3113 13.3113 15.3532 15.3532 16.7529 16.7530 k = 0.1196 0.0690 0.0488 ( 6540 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3069 -34.3069 -34.2806 -34.2806 -33.6791 -33.6791 -33.6774 -33.6774 -4.3654 -4.3654 -4.3643 -4.3643 -3.9112 -3.9112 -3.9042 -3.9042 -3.9027 -3.9027 2.4077 2.4077 7.8867 7.8867 7.8956 7.8956 8.6159 8.6159 9.0216 9.0216 9.1693 9.1693 11.6893 11.6893 13.1192 13.1192 13.3483 13.3483 15.4612 15.4612 16.6890 16.6890 k = 0.1304 0.0753 0.0532 ( 6537 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3070 -34.3070 -34.2808 -34.2808 -33.6791 -33.6791 -33.6772 -33.6772 -4.3652 -4.3652 -4.3639 -4.3639 -3.9109 -3.9109 -3.9040 -3.9040 -3.9023 -3.9023 2.4369 2.4369 7.8812 7.8812 7.8896 7.8896 8.6149 8.6149 8.9893 8.9893 9.1636 9.1636 11.5460 11.5460 13.1665 13.1665 13.3874 13.3874 15.5591 15.5591 16.6329 16.6329 k = 0.1413 0.0816 0.0577 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3071 -34.3071 -34.2810 -34.2810 -33.6791 -33.6791 -33.6769 -33.6769 -4.3650 -4.3650 -4.3636 -4.3636 -3.9106 -3.9106 -3.9039 -3.9039 -3.9019 -3.9019 2.4686 2.4686 7.8748 7.8748 7.8816 7.8816 8.6134 8.6134 8.9561 8.9561 9.1589 9.1589 11.4041 11.4041 13.2166 13.2166 13.4285 13.4285 15.6433 15.6433 16.5862 16.5862 k = 0.1522 0.0879 0.0621 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3073 -34.3073 -34.2813 -34.2813 -33.6792 -33.6792 -33.6766 -33.6766 -4.3648 -4.3648 -4.3631 -4.3631 -3.9102 -3.9102 -3.9037 -3.9037 -3.9015 -3.9015 2.5028 2.5028 7.8673 7.8673 7.8712 7.8712 8.6110 8.6110 8.9226 8.9226 9.1552 9.1552 11.2648 11.2648 13.2688 13.2688 13.4712 13.4712 15.7098 15.7098 16.5500 16.5500 k = 0.1630 0.0941 0.0666 ( 6549 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3074 -34.3074 -34.2815 -34.2815 -33.6792 -33.6792 -33.6762 -33.6762 -4.3646 -4.3646 -4.3627 -4.3627 -3.9099 -3.9099 -3.9034 -3.9034 -3.9010 -3.9010 2.5396 2.5396 7.8579 7.8579 7.8588 7.8588 8.6075 8.6075 8.8894 8.8894 9.1529 9.1529 11.1290 11.1290 13.3226 13.3226 13.5152 13.5152 15.7553 15.7553 16.5234 16.5234 k = 0.1739 0.1004 0.0710 ( 6549 PWs) bands (ev): -80.3081 -80.3081 -47.1807 -47.1807 -34.3075 -34.3075 -34.2818 -34.2818 -33.6792 -33.6792 -33.6759 -33.6759 -4.3644 -4.3644 -4.3623 -4.3623 -3.9096 -3.9096 -3.9032 -3.9032 -3.9005 -3.9005 2.5788 2.5788 7.8414 7.8414 7.8492 7.8492 8.6020 8.6020 8.8573 8.8573 9.1520 9.1520 10.9976 10.9976 13.3774 13.3774 13.5602 13.5602 15.7784 15.7784 16.5019 16.5019 k = 0.1848 0.1067 0.0754 ( 6564 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3076 -34.3076 -34.2821 -34.2821 -33.6792 -33.6792 -33.6755 -33.6755 -4.3642 -4.3642 -4.3618 -4.3618 -3.9092 -3.9092 -3.9030 -3.9030 -3.9000 -3.9000 2.6204 2.6204 7.8209 7.8209 7.8386 7.8386 8.5938 8.5938 8.8275 8.8275 9.1527 9.1527 10.8714 10.8714 13.4327 13.4327 13.6060 13.6060 15.7808 15.7808 16.4780 16.4780 k = 0.1957 0.1130 0.0799 ( 6567 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3077 -34.3077 -34.2824 -34.2824 -33.6793 -33.6793 -33.6752 -33.6752 -4.3640 -4.3640 -4.3613 -4.3613 -3.9089 -3.9089 -3.9027 -3.9027 -3.8994 -3.8994 2.6646 2.6646 7.7961 7.7961 7.8269 7.8269 8.5816 8.5816 8.8013 8.8013 9.1551 9.1551 10.7511 10.7511 13.4879 13.4879 13.6523 13.6523 15.7665 15.7665 16.4453 16.4453 k = 0.2065 0.1192 0.0843 ( 6567 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3078 -34.3078 -34.2827 -34.2827 -33.6793 -33.6793 -33.6748 -33.6748 -4.3638 -4.3638 -4.3608 -4.3608 -3.9086 -3.9086 -3.9024 -3.9024 -3.8989 -3.8989 2.7111 2.7111 7.7663 7.7663 7.8141 7.8141 8.5644 8.5644 8.7800 8.7800 9.1593 9.1593 10.6376 10.6376 13.5426 13.5426 13.6988 13.6988 15.7401 15.7401 16.4020 16.4020 k = 0.2174 0.1255 0.0887 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3079 -34.3079 -34.2831 -34.2831 -33.6793 -33.6793 -33.6744 -33.6744 -4.3635 -4.3635 -4.3603 -4.3603 -3.9083 -3.9083 -3.9021 -3.9021 -3.8983 -3.8983 2.7601 2.7601 7.7310 7.7310 7.8004 7.8004 8.5416 8.5416 8.7646 8.7646 9.1652 9.1652 10.5314 10.5314 13.5961 13.5961 13.7453 13.7453 15.7057 15.7057 16.3504 16.3504 k = 0.2283 0.1318 0.0932 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3079 -34.3079 -34.2834 -34.2834 -33.6793 -33.6793 -33.6740 -33.6740 -4.3633 -4.3633 -4.3598 -4.3598 -3.9080 -3.9080 -3.9017 -3.9017 -3.8978 -3.8978 2.8115 2.8115 7.6897 7.6897 7.7858 7.7858 8.5134 8.5134 8.7548 8.7548 9.1729 9.1729 10.4331 10.4331 13.6481 13.6481 13.7916 13.7916 15.6662 15.6662 16.2938 16.2938 k = 0.2391 0.1381 0.0976 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3080 -34.3080 -34.2838 -34.2838 -33.6794 -33.6794 -33.6736 -33.6736 -4.3631 -4.3631 -4.3593 -4.3593 -3.9077 -3.9077 -3.9014 -3.9014 -3.8972 -3.8972 2.8652 2.8652 7.6421 7.6421 7.7705 7.7705 8.4810 8.4810 8.7499 8.7499 9.1822 9.1822 10.3431 10.3431 13.6978 13.6978 13.8373 13.8373 15.6238 15.6238 16.2353 16.2353 k = 0.2500 0.1443 0.1021 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1808 -47.1808 -34.3080 -34.3080 -34.2842 -34.2842 -33.6794 -33.6794 -33.6732 -33.6732 -4.3628 -4.3628 -4.3588 -4.3588 -3.9074 -3.9074 -3.9010 -3.9010 -3.8966 -3.8966 2.9212 2.9212 7.5876 7.5876 7.7544 7.7544 8.4457 8.4457 8.7489 8.7489 9.1932 9.1932 10.2615 10.2615 13.7449 13.7449 13.8824 13.8824 15.5800 15.5800 16.1768 16.1768 k = 0.2609 0.1506 0.1065 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3081 -34.3081 -34.2846 -34.2846 -33.6794 -33.6794 -33.6729 -33.6729 -4.3626 -4.3626 -4.3583 -4.3583 -3.9071 -3.9071 -3.9006 -3.9006 -3.8960 -3.8960 2.9796 2.9796 7.5263 7.5263 7.7379 7.7379 8.4088 8.4088 8.7508 8.7508 9.2057 9.2057 10.1886 10.1886 13.7888 13.7888 13.9266 13.9266 15.5362 15.5362 16.1198 16.1198 k = 0.2717 0.1569 0.1109 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3081 -34.3081 -34.2851 -34.2851 -33.6795 -33.6795 -33.6725 -33.6725 -4.3624 -4.3624 -4.3578 -4.3578 -3.9069 -3.9069 -3.9002 -3.9002 -3.8955 -3.8955 3.0401 3.0401 7.4581 7.4581 7.7209 7.7209 8.3713 8.3713 8.7548 8.7548 9.2196 9.2196 10.1240 10.1240 13.8289 13.8289 13.9697 13.9697 15.4933 15.4933 16.0652 16.0652 k = 0.2826 0.1632 0.1154 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3081 -34.3081 -34.2855 -34.2855 -33.6795 -33.6795 -33.6721 -33.6721 -4.3621 -4.3621 -4.3573 -4.3573 -3.9066 -3.9066 -3.8998 -3.8998 -3.8949 -3.8949 3.1029 3.1029 7.3831 7.3831 7.7037 7.7037 8.3339 8.3339 8.7605 8.7605 9.2347 9.2347 10.0676 10.0676 13.8647 13.8647 14.0116 14.0116 15.4521 15.4521 16.0136 16.0136 k = 0.2935 0.1694 0.1198 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3080 -34.3080 -34.2860 -34.2860 -33.6795 -33.6795 -33.6717 -33.6717 -4.3619 -4.3619 -4.3568 -4.3568 -3.9064 -3.9064 -3.8994 -3.8994 -3.8943 -3.8943 3.1678 3.1678 7.3017 7.3017 7.6864 7.6864 8.2973 8.2973 8.7673 8.7673 9.2509 9.2509 10.0190 10.0190 13.8957 13.8957 14.0522 14.0522 15.4134 15.4134 15.9653 15.9653 k = 0.3043 0.1757 0.1242 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3080 -34.3080 -34.2864 -34.2864 -33.6795 -33.6795 -33.6713 -33.6713 -4.3617 -4.3617 -4.3563 -4.3563 -3.9062 -3.9062 -3.8990 -3.8990 -3.8938 -3.8938 3.2348 3.2348 7.2146 7.2146 7.6690 7.6690 8.2618 8.2618 8.7750 8.7750 9.2680 9.2680 9.9776 9.9776 13.9216 13.9216 14.0912 14.0912 15.3779 15.3779 15.8843 15.8843 k = 0.3152 0.1820 0.1287 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3079 -34.3079 -34.2869 -34.2869 -33.6796 -33.6796 -33.6710 -33.6710 -4.3614 -4.3614 -4.3558 -4.3558 -3.9060 -3.9060 -3.8986 -3.8986 -3.8932 -3.8932 3.3037 3.3037 7.1223 7.1223 7.6519 7.6519 8.2279 8.2279 8.7832 8.7832 9.2858 9.2858 9.9429 9.9429 13.9420 13.9420 14.1287 14.1287 15.3461 15.3461 15.8001 15.8001 k = 0.3261 0.1883 0.1331 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1809 -47.1809 -34.3079 -34.3079 -34.2874 -34.2874 -33.6796 -33.6796 -33.6706 -33.6706 -4.3612 -4.3612 -4.3554 -4.3554 -3.9059 -3.9059 -3.8982 -3.8982 -3.8927 -3.8927 3.3744 3.3744 7.0256 7.0256 7.6350 7.6350 8.1956 8.1956 8.7918 8.7918 9.3041 9.3041 9.9142 9.9142 13.9568 13.9568 14.1644 14.1644 15.3187 15.3187 15.7188 15.7188 k = 0.3370 0.1945 0.1376 ( 6549 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3078 -34.3078 -34.2878 -34.2878 -33.6796 -33.6796 -33.6703 -33.6703 -4.3610 -4.3610 -4.3549 -4.3549 -3.9057 -3.9057 -3.8978 -3.8978 -3.8922 -3.8922 3.4469 3.4469 6.9253 6.9253 7.6185 7.6185 8.1651 8.1651 8.8005 8.8005 9.3227 9.3227 9.8908 9.8908 13.9660 13.9660 14.1983 14.1983 15.2957 15.2957 15.6407 15.6407 k = 0.3478 0.2008 0.1420 ( 6555 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3077 -34.3077 -34.2883 -34.2883 -33.6796 -33.6796 -33.6699 -33.6699 -4.3608 -4.3608 -4.3545 -4.3545 -3.9055 -3.9055 -3.8974 -3.8974 -3.8917 -3.8917 3.5209 3.5209 6.8223 6.8223 7.6026 7.6026 8.1365 8.1365 8.8092 8.8092 9.3414 9.3414 9.8722 9.8722 13.9697 13.9697 14.2304 14.2304 15.2774 15.2774 15.5661 15.5661 k = 0.3587 0.2071 0.1464 ( 6538 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3076 -34.3076 -34.2888 -34.2888 -33.6797 -33.6797 -33.6696 -33.6696 -4.3606 -4.3606 -4.3541 -4.3541 -3.9054 -3.9054 -3.8970 -3.8970 -3.8913 -3.8913 3.5963 3.5963 6.7174 6.7174 7.5873 7.5873 8.1098 8.1098 8.8177 8.8177 9.3600 9.3600 9.8577 9.8577 13.9685 13.9685 14.2605 14.2605 15.2636 15.2636 15.4953 15.4953 k = 0.3696 0.2134 0.1509 ( 6538 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3074 -34.3074 -34.2893 -34.2893 -33.6797 -33.6797 -33.6693 -33.6693 -4.3605 -4.3605 -4.3537 -4.3537 -3.9053 -3.9053 -3.8967 -3.8967 -3.8908 -3.8908 3.6728 3.6728 6.6114 6.6114 7.5727 7.5727 8.0850 8.0850 8.8259 8.8259 9.3782 9.3782 9.8468 9.8468 13.9630 13.9630 14.2886 14.2886 15.2539 15.2539 15.4285 15.4285 k = 0.3804 0.2196 0.1553 ( 6538 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3073 -34.3073 -34.2897 -34.2897 -33.6797 -33.6797 -33.6690 -33.6690 -4.3603 -4.3603 -4.3533 -4.3533 -3.9051 -3.9051 -3.8963 -3.8963 -3.8904 -3.8904 3.7501 3.7501 6.5053 6.5053 7.5590 7.5590 8.0622 8.0622 8.8337 8.8337 9.3960 9.3960 9.8388 9.8388 13.9538 13.9538 14.3146 14.3146 15.2480 15.2480 15.3658 15.3658 k = 0.3913 0.2259 0.1597 ( 6541 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3071 -34.3071 -34.2901 -34.2901 -33.6797 -33.6797 -33.6688 -33.6688 -4.3601 -4.3601 -4.3530 -4.3530 -3.9050 -3.9050 -3.8960 -3.8960 -3.8900 -3.8900 3.8278 3.8278 6.3998 6.3998 7.5462 7.5462 8.0413 8.0413 8.8410 8.8410 9.4130 9.4130 9.8333 9.8333 13.9419 13.9419 14.3386 14.3386 15.2451 15.2451 15.3077 15.3077 k = 0.4022 0.2322 0.1642 ( 6538 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3070 -34.3070 -34.2906 -34.2906 -33.6797 -33.6797 -33.6686 -33.6686 -4.3600 -4.3600 -4.3527 -4.3527 -3.9049 -3.9049 -3.8957 -3.8957 -3.8897 -3.8897 3.9053 3.9053 6.2960 6.2960 7.5344 7.5344 8.0224 8.0224 8.8478 8.8478 9.4290 9.4290 9.8298 9.8298 13.9280 13.9280 14.3605 14.3605 15.2448 15.2448 15.2542 15.2542 k = 0.4130 0.2385 0.1686 ( 6538 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3068 -34.3068 -34.2910 -34.2910 -33.6798 -33.6798 -33.6683 -33.6683 -4.3599 -4.3599 -4.3524 -4.3524 -3.9048 -3.9048 -3.8955 -3.8955 -3.8894 -3.8894 3.9820 3.9820 6.1949 6.1949 7.5236 7.5236 8.0055 8.0055 8.8540 8.8540 9.4440 9.4440 9.8279 9.8279 13.9132 13.9132 14.3802 14.3802 15.2057 15.2057 15.2465 15.2465 k = 0.4239 0.2447 0.1731 ( 6526 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3067 -34.3067 -34.2913 -34.2913 -33.6798 -33.6798 -33.6681 -33.6681 -4.3598 -4.3598 -4.3522 -4.3522 -3.9048 -3.9048 -3.8952 -3.8952 -3.8891 -3.8891 4.0570 4.0570 6.0978 6.0978 7.5140 7.5140 7.9906 7.9906 8.8595 8.8595 9.4577 9.4577 9.8271 9.8271 13.8981 13.8981 14.3977 14.3977 15.1622 15.1622 15.2494 15.2494 k = 0.4348 0.2510 0.1775 ( 6532 PWs) bands (ev): -80.3081 -80.3081 -47.1810 -47.1810 -34.3066 -34.3066 -34.2916 -34.2916 -33.6798 -33.6798 -33.6680 -33.6680 -4.3597 -4.3597 -4.3519 -4.3519 -3.9047 -3.9047 -3.8950 -3.8950 -3.8888 -3.8888 4.1291 4.1291 6.0059 6.0059 7.5056 7.5056 7.9776 7.9776 8.8644 8.8644 9.4699 9.4699 9.8272 9.8272 13.8835 13.8835 14.4130 14.4130 15.1241 15.1241 15.2530 15.2530 k = 0.4457 0.2573 0.1819 ( 6532 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3064 -34.3064 -34.2919 -34.2919 -33.6798 -33.6798 -33.6678 -33.6678 -4.3596 -4.3596 -4.3517 -4.3517 -3.9046 -3.9046 -3.8948 -3.8948 -3.8886 -3.8886 4.1968 4.1968 5.9212 5.9212 7.4983 7.4983 7.9666 7.9666 8.8685 8.8685 9.4805 9.4805 9.8278 9.8278 13.8700 13.8700 14.4260 14.4260 15.0914 15.0914 15.2570 15.2570 k = 0.4565 0.2636 0.1864 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3063 -34.3063 -34.2922 -34.2922 -33.6798 -33.6798 -33.6677 -33.6677 -4.3595 -4.3595 -4.3516 -4.3516 -3.9046 -3.9046 -3.8947 -3.8947 -3.8884 -3.8884 4.2580 4.2580 5.8459 5.8459 7.4924 7.4924 7.9576 7.9576 8.8719 8.8719 9.4893 9.4893 9.8287 9.8287 13.8583 13.8583 14.4368 14.4368 15.0644 15.0644 15.2608 15.2608 k = 0.4674 0.2698 0.1908 ( 6532 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3062 -34.3062 -34.2924 -34.2924 -33.6798 -33.6798 -33.6676 -33.6676 -4.3594 -4.3594 -4.3515 -4.3515 -3.9046 -3.9046 -3.8946 -3.8946 -3.8883 -3.8883 4.3103 4.3103 5.7824 5.7824 7.4877 7.4877 7.9506 7.9506 8.8746 8.8746 9.4963 9.4963 9.8296 9.8296 13.8487 13.8487 14.4452 14.4452 15.0432 15.0432 15.2641 15.2641 k = 0.4783 0.2761 0.1952 ( 6544 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3062 -34.3062 -34.2925 -34.2925 -33.6798 -33.6798 -33.6676 -33.6676 -4.3594 -4.3594 -4.3514 -4.3514 -3.9045 -3.9045 -3.8945 -3.8945 -3.8882 -3.8882 4.3507 4.3507 5.7339 5.7339 7.4844 7.4844 7.9456 7.9456 8.8765 8.8765 9.5014 9.5014 9.8303 9.8303 13.8416 13.8416 14.4512 14.4512 15.0280 15.0280 15.2666 15.2666 k = 0.4891 0.2824 0.1997 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2926 -34.2926 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3765 4.3765 5.7033 5.7033 7.4823 7.4823 7.9426 7.9426 8.8777 8.8777 9.5045 9.5045 9.8309 9.8309 13.8373 13.8373 14.4549 14.4549 15.0188 15.0188 15.2683 15.2683 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2926 -34.2926 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3854 4.3854 5.6928 5.6928 7.4817 7.4817 7.9416 7.9416 8.8780 8.8780 9.5055 9.5055 9.8310 9.8310 13.8358 13.8358 14.4561 14.4561 15.0157 15.0157 15.2688 15.2688 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2926 -34.2926 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3854 4.3854 5.6928 5.6928 7.4817 7.4817 7.9416 7.9416 8.8780 8.8780 9.5055 9.5055 9.8310 9.8310 13.8358 13.8358 14.4561 14.4561 15.0157 15.0157 15.2688 15.2688 k = 0.5039 0.2774 0.2105 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3852 4.3852 5.6943 5.6943 7.4824 7.4824 7.9422 7.9422 8.8780 8.8780 9.5054 9.5054 9.8306 9.8306 13.8201 13.8201 14.4334 14.4334 15.0191 15.0191 15.2756 15.2756 k = 0.5078 0.2661 0.2169 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8882 -3.8882 4.3848 4.3848 5.6990 5.6990 7.4846 7.4846 7.9443 7.9443 8.8777 8.8777 9.5050 9.5050 9.8292 9.8292 13.7749 13.7749 14.3709 14.3709 15.0243 15.0243 15.3035 15.3035 k = 0.5117 0.2548 0.2233 ( 6540 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6797 -33.6797 -33.6675 -33.6675 -4.3593 -4.3593 -4.3514 -4.3514 -3.9044 -3.9044 -3.8944 -3.8944 -3.8882 -3.8882 4.3840 4.3840 5.7067 5.7067 7.4883 7.4883 7.9477 7.9477 8.8773 8.8773 9.5044 9.5044 9.8268 9.8268 13.7045 13.7045 14.2801 14.2801 15.0248 15.0248 15.3599 15.3599 k = 0.5156 0.2436 0.2296 ( 6542 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2928 -34.2928 -33.6796 -33.6796 -33.6676 -33.6676 -4.3593 -4.3593 -4.3514 -4.3514 -3.9044 -3.9044 -3.8944 -3.8944 -3.8883 -3.8883 4.3830 4.3830 5.7175 5.7175 7.4935 7.4935 7.9524 7.9524 8.8767 8.8767 9.5034 9.5034 9.8237 9.8237 13.6140 13.6140 14.1719 14.1719 15.0202 15.0202 15.4419 15.4419 k = 0.5195 0.2323 0.2360 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2929 -34.2929 -33.6796 -33.6796 -33.6676 -33.6676 -4.3593 -4.3593 -4.3515 -4.3515 -3.9043 -3.9043 -3.8945 -3.8945 -3.8884 -3.8884 4.3816 4.3816 5.7314 5.7314 7.5001 7.5001 7.9584 7.9584 8.8759 8.8759 9.5022 9.5022 9.8197 9.8197 13.5082 13.5082 14.0541 14.0541 15.0123 15.0123 15.5424 15.5424 k = 0.5234 0.2210 0.2424 ( 6558 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2931 -34.2931 -33.6794 -33.6794 -33.6676 -33.6676 -4.3592 -4.3592 -4.3515 -4.3515 -3.9042 -3.9042 -3.8945 -3.8945 -3.8885 -3.8885 4.3801 4.3801 5.7483 5.7483 7.5081 7.5081 7.9657 7.9657 8.8750 8.8750 9.5006 9.5006 9.8151 9.8151 13.3905 13.3905 13.9319 13.9319 15.0022 15.0022 15.6560 15.6560 k = 0.5273 0.2097 0.2488 ( 6554 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2932 -34.2932 -33.6793 -33.6793 -33.6677 -33.6677 -4.3592 -4.3592 -4.3516 -4.3516 -3.9041 -3.9041 -3.8945 -3.8945 -3.8887 -3.8887 4.3782 4.3782 5.7681 5.7681 7.5175 7.5175 7.9742 7.9742 8.8739 8.8739 9.4986 9.4986 9.8099 9.8099 13.2639 13.2639 13.8083 13.8083 14.9902 14.9902 15.7791 15.7791 k = 0.5312 0.1985 0.2552 ( 6560 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2934 -34.2934 -33.6792 -33.6792 -33.6677 -33.6677 -4.3592 -4.3592 -4.3517 -4.3517 -3.9039 -3.9039 -3.8945 -3.8945 -3.8888 -3.8888 4.3761 4.3761 5.7909 5.7909 7.5283 7.5283 7.9839 7.9839 8.8727 8.8727 9.4962 9.4962 9.8043 9.8043 13.1305 13.1305 13.6853 13.6853 14.9762 14.9762 15.9096 15.9096 k = 0.5352 0.1872 0.2615 ( 6556 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2935 -34.2935 -33.6790 -33.6790 -33.6678 -33.6678 -4.3591 -4.3591 -4.3518 -4.3518 -3.9038 -3.9038 -3.8946 -3.8946 -3.8890 -3.8890 4.3737 4.3737 5.8166 5.8166 7.5404 7.5404 7.9947 7.9947 8.8714 8.8714 9.4932 9.4932 9.7985 9.7985 12.9920 12.9920 13.5639 13.5639 14.9599 14.9599 16.0459 16.0459 k = 0.5391 0.1759 0.2679 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3058 -34.3058 -34.2937 -34.2937 -33.6788 -33.6788 -33.6678 -33.6678 -4.3590 -4.3590 -4.3519 -4.3519 -3.9036 -3.9036 -3.8946 -3.8946 -3.8892 -3.8892 4.3711 4.3711 5.8451 5.8451 7.5538 7.5538 8.0066 8.0066 8.8700 8.8700 9.4895 9.4895 9.7927 9.7927 12.8500 12.8500 13.4446 13.4446 14.9410 14.9410 16.1869 16.1869 k = 0.5430 0.1646 0.2743 ( 6548 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3058 -34.3058 -34.2939 -34.2939 -33.6787 -33.6787 -33.6679 -33.6679 -4.3590 -4.3590 -4.3520 -4.3520 -3.9035 -3.9035 -3.8947 -3.8947 -3.8894 -3.8894 4.3683 4.3683 5.8765 5.8765 7.5684 7.5684 8.0194 8.0194 8.8686 8.8686 9.4849 9.4849 9.7872 9.7872 12.7056 12.7056 13.3277 13.3277 14.9194 14.9194 16.3320 16.3320 k = 0.5469 0.1534 0.2807 ( 6549 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2941 -34.2941 -33.6785 -33.6785 -33.6679 -33.6679 -4.3589 -4.3589 -4.3521 -4.3521 -3.9033 -3.9033 -3.8947 -3.8947 -3.8896 -3.8896 4.3652 4.3652 5.9105 5.9105 7.5842 7.5842 8.0331 8.0331 8.8671 8.8671 9.4794 9.4794 9.7822 9.7822 12.5600 12.5600 13.2133 13.2133 14.8945 14.8945 16.4806 16.4806 k = 0.5508 0.1421 0.2870 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2943 -34.2943 -33.6783 -33.6783 -33.6680 -33.6680 -4.3588 -4.3588 -4.3523 -4.3523 -3.9031 -3.9031 -3.8947 -3.8947 -3.8898 -3.8898 4.3619 4.3619 5.9473 5.9473 7.6012 7.6012 8.0476 8.0476 8.8656 8.8656 9.4727 9.4727 9.7781 9.7781 12.4140 12.4140 13.1013 13.1013 14.8664 14.8664 16.6323 16.6323 k = 0.5547 0.1308 0.2934 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2945 -34.2945 -33.6781 -33.6781 -33.6680 -33.6680 -4.3588 -4.3588 -4.3524 -4.3524 -3.9030 -3.9030 -3.8948 -3.8948 -3.8901 -3.8901 4.3583 4.3583 5.9866 5.9866 7.6192 7.6192 8.0628 8.0628 8.8642 8.8642 9.4648 9.4648 9.7751 9.7751 12.2685 12.2685 12.9917 12.9917 14.8347 14.8347 16.7869 16.7869 k = 0.5586 0.1195 0.2998 ( 6553 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2947 -34.2947 -33.6779 -33.6779 -33.6681 -33.6681 -4.3587 -4.3587 -4.3525 -4.3525 -3.9028 -3.9028 -3.8948 -3.8948 -3.8903 -3.8903 4.3545 4.3545 6.0285 6.0285 7.6382 7.6382 8.0784 8.0784 8.8629 8.8629 9.4553 9.4553 9.7736 9.7736 12.1241 12.1241 12.8844 12.8844 14.7993 14.7993 16.9439 16.9439 k = 0.5625 0.1083 0.3062 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2949 -34.2949 -33.6778 -33.6778 -33.6681 -33.6681 -4.3586 -4.3586 -4.3527 -4.3527 -3.9026 -3.9026 -3.8949 -3.8949 -3.8905 -3.8905 4.3504 4.3504 6.0729 6.0729 7.6581 7.6581 8.0944 8.0944 8.8617 8.8617 9.4442 9.4442 9.7740 9.7740 11.9815 11.9815 12.7794 12.7794 14.7602 14.7602 17.1031 17.1031 k = 0.5664 0.0970 0.3126 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2950 -34.2950 -33.6776 -33.6776 -33.6681 -33.6681 -4.3585 -4.3585 -4.3528 -4.3528 -3.9025 -3.9025 -3.8950 -3.8950 -3.8907 -3.8907 4.3460 4.3460 6.1196 6.1196 7.6789 7.6789 8.1105 8.1105 8.8607 8.8607 9.4315 9.4315 9.7763 9.7763 11.8412 11.8412 12.6765 12.6765 14.7172 14.7172 17.2639 17.2639 k = 0.5703 0.0857 0.3189 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2952 -34.2952 -33.6775 -33.6775 -33.6681 -33.6681 -4.3585 -4.3585 -4.3530 -4.3530 -3.9023 -3.9023 -3.8950 -3.8950 -3.8909 -3.8909 4.3413 4.3413 6.1687 6.1687 7.7004 7.7004 8.1267 8.1267 8.8601 8.8601 9.4171 9.4171 9.7808 9.7808 11.7037 11.7037 12.5758 12.5758 14.6706 14.6706 17.4257 17.4257 k = 0.5742 0.0744 0.3253 ( 6554 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3057 -34.3057 -34.2953 -34.2953 -33.6773 -33.6773 -33.6680 -33.6680 -4.3584 -4.3584 -4.3531 -4.3531 -3.9022 -3.9022 -3.8951 -3.8951 -3.8911 -3.8911 4.3363 4.3363 6.2199 6.2199 7.7226 7.7226 8.1425 8.1425 8.8598 8.8598 9.4011 9.4011 9.7876 9.7876 11.5696 11.5696 12.4772 12.4772 14.6204 14.6204 17.5871 17.5871 k = 0.5781 0.0631 0.3317 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3058 -34.3058 -34.2954 -34.2954 -33.6772 -33.6772 -33.6680 -33.6680 -4.3583 -4.3583 -4.3533 -4.3533 -3.9020 -3.9020 -3.8952 -3.8952 -3.8912 -3.8912 4.3308 4.3308 6.2733 6.2733 7.7453 7.7453 8.1579 8.1579 8.8600 8.8600 9.3836 9.3836 9.7969 9.7969 11.4392 11.4392 12.3807 12.3807 14.5666 14.5666 17.7454 17.7454 k = 0.5820 0.0519 0.3381 ( 6562 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3059 -34.3059 -34.2955 -34.2955 -33.6772 -33.6772 -33.6679 -33.6679 -4.3582 -4.3582 -4.3534 -4.3534 -3.9019 -3.9019 -3.8953 -3.8953 -3.8913 -3.8913 4.3250 4.3250 6.3286 6.3286 7.7685 7.7685 8.1725 8.1725 8.8607 8.8607 9.3648 9.3648 9.8085 9.8085 11.3132 11.3132 12.2864 12.2864 14.5096 14.5096 17.8946 17.8946 k = 0.5859 0.0406 0.3445 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3060 -34.3060 -34.2955 -34.2955 -33.6771 -33.6771 -33.6678 -33.6678 -4.3582 -4.3582 -4.3536 -4.3536 -3.9018 -3.9018 -3.8954 -3.8954 -3.8914 -3.8914 4.3186 4.3186 6.3858 6.3858 7.7920 7.7920 8.1861 8.1861 8.8620 8.8620 9.3450 9.3450 9.8224 9.8224 11.1918 11.1918 12.1941 12.1941 14.4495 14.4495 18.0232 18.0232 k = 0.5898 0.0293 0.3508 ( 6567 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3062 -34.3062 -34.2955 -34.2955 -33.6771 -33.6771 -33.6677 -33.6677 -4.3581 -4.3581 -4.3538 -4.3538 -3.9017 -3.9017 -3.8955 -3.8955 -3.8915 -3.8915 4.3118 4.3118 6.4447 6.4447 7.8157 7.8157 8.1985 8.1985 8.8640 8.8640 9.3245 9.3245 9.8385 9.8385 11.0758 11.0758 12.1041 12.1041 14.3866 14.3866 18.1225 18.1225 k = 0.5938 0.0180 0.3572 ( 6573 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3064 -34.3064 -34.2955 -34.2955 -33.6771 -33.6771 -33.6676 -33.6676 -4.3580 -4.3580 -4.3539 -4.3539 -3.9016 -3.9016 -3.8957 -3.8957 -3.8915 -3.8915 4.3043 4.3043 6.5051 6.5051 7.8395 7.8395 8.2094 8.2094 8.8666 8.8666 9.3036 9.3036 9.8565 9.8565 10.9656 10.9656 12.0162 12.0162 14.3213 14.3213 18.1977 18.1977 k = 0.5977 0.0068 0.3636 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3066 -34.3066 -34.2954 -34.2954 -33.6771 -33.6771 -33.6675 -33.6675 -4.3579 -4.3579 -4.3541 -4.3541 -3.9016 -3.9016 -3.8958 -3.8958 -3.8915 -3.8915 4.2962 4.2962 6.5667 6.5667 7.8632 7.8632 8.2188 8.2188 8.8699 8.8699 9.2829 9.2829 9.8760 9.8760 10.8620 10.8620 11.9306 11.9306 14.2537 14.2537 18.2587 18.2587 k = 0.6016-0.0045 0.3700 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3068 -34.3068 -34.2953 -34.2953 -33.6771 -33.6771 -33.6673 -33.6673 -4.3579 -4.3579 -4.3542 -4.3542 -3.9015 -3.9015 -3.8960 -3.8960 -3.8915 -3.8915 4.2873 4.2873 6.6295 6.6295 7.8866 7.8866 8.2264 8.2264 8.8735 8.8735 9.2628 9.2628 9.8965 9.8965 10.7657 10.7657 11.8474 11.8474 14.1842 14.1842 18.3111 18.3111 k = 0.6055-0.0158 0.3764 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3071 -34.3071 -34.2952 -34.2952 -33.6772 -33.6772 -33.6672 -33.6672 -4.3578 -4.3578 -4.3544 -4.3544 -3.9015 -3.9015 -3.8962 -3.8962 -3.8915 -3.8915 4.2777 4.2777 6.6930 6.6930 7.9094 7.9094 8.2324 8.2324 8.8774 8.8774 9.2439 9.2439 9.9170 9.9170 10.6781 10.6781 11.7667 11.7667 14.1131 14.1131 18.3574 18.3574 k = 0.6094-0.0271 0.3827 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3074 -34.3074 -34.2950 -34.2950 -33.6773 -33.6773 -33.6670 -33.6670 -4.3578 -4.3578 -4.3545 -4.3545 -3.9015 -3.9015 -3.8964 -3.8964 -3.8914 -3.8914 4.2672 4.2672 6.7569 6.7569 7.9314 7.9314 8.2371 8.2371 8.8811 8.8811 9.2270 9.2270 9.9361 9.9361 10.6006 10.6006 11.6885 11.6885 14.0408 14.0408 18.3990 18.3990 k = 0.6133-0.0383 0.3891 ( 6563 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3077 -34.3077 -34.2948 -34.2948 -33.6774 -33.6774 -33.6668 -33.6668 -4.3577 -4.3577 -4.3547 -4.3547 -3.9015 -3.9015 -3.8966 -3.8966 -3.8913 -3.8913 4.2557 4.2557 6.8209 6.8209 7.9521 7.9521 8.2409 8.2409 8.8841 8.8841 9.2127 9.2127 9.9516 9.9516 10.5354 10.5354 11.6130 11.6130 13.9674 13.9674 18.4364 18.4364 k = 0.6172-0.0496 0.3955 ( 6562 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3080 -34.3080 -34.2946 -34.2946 -33.6775 -33.6775 -33.6666 -33.6666 -4.3577 -4.3577 -4.3548 -4.3548 -3.9015 -3.9015 -3.8968 -3.8968 -3.8913 -3.8913 4.2432 4.2432 6.8844 6.8844 7.9710 7.9710 8.2448 8.2448 8.8859 8.8859 9.2017 9.2017 9.9610 9.9610 10.4854 10.4854 11.5405 11.5405 13.8933 13.8933 18.4699 18.4699 k = 0.6211-0.0609 0.4019 ( 6567 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3083 -34.3083 -34.2944 -34.2944 -33.6776 -33.6776 -33.6665 -33.6665 -4.3577 -4.3577 -4.3550 -4.3550 -3.9015 -3.9015 -3.8970 -3.8970 -3.8912 -3.8912 4.2296 4.2296 6.9469 6.9469 7.9871 7.9871 8.2498 8.2498 8.8860 8.8860 9.1946 9.1946 9.9612 9.9612 10.4536 10.4536 11.4711 11.4711 13.8188 13.8188 18.4998 18.4998 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2148 4.2148 7.0078 7.0078 7.9999 7.9999 8.2573 8.2573 8.8843 8.8843 9.1915 9.1915 9.9505 9.9505 10.4414 10.4414 11.4052 11.4052 13.7441 13.7441 18.5263 18.5263 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2148 4.2148 7.0078 7.0078 7.9999 7.9999 8.2573 8.2573 8.8843 8.8843 9.1915 9.1915 9.9505 9.9505 10.4414 10.4414 11.4052 11.4052 13.7441 13.7441 18.5263 18.5263 k = 0.6184-0.0684 0.4190 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2153 4.2153 7.0072 7.0072 8.0000 8.0000 8.2564 8.2564 8.8864 8.8864 9.1926 9.1926 9.9500 9.9500 10.4398 10.4398 11.3988 11.3988 13.7556 13.7556 18.5207 18.5207 k = 0.6118-0.0646 0.4297 ( 6563 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3085 -34.3085 -34.2942 -34.2942 -33.6777 -33.6777 -33.6663 -33.6663 -4.3576 -4.3576 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2169 4.2169 7.0056 7.0056 8.0002 8.0002 8.2535 8.2535 8.8924 8.8924 9.1957 9.1957 9.9484 9.9484 10.4351 10.4351 11.3798 11.3798 13.7894 13.7894 18.5035 18.5035 k = 0.6053-0.0608 0.4405 ( 6566 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3085 -34.3085 -34.2942 -34.2942 -33.6777 -33.6777 -33.6663 -33.6663 -4.3576 -4.3576 -4.3551 -4.3551 -3.9015 -3.9015 -3.8971 -3.8971 -3.8911 -3.8911 4.2194 4.2194 7.0028 7.0028 8.0007 8.0007 8.2488 8.2488 8.9023 8.9023 9.2009 9.2009 9.9458 9.9458 10.4271 10.4271 11.3500 11.3500 13.8444 13.8444 18.4723 18.4723 k = 0.5987-0.0570 0.4512 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3084 -34.3084 -34.2943 -34.2943 -33.6776 -33.6776 -33.6664 -33.6664 -4.3576 -4.3576 -4.3551 -4.3551 -3.9015 -3.9015 -3.8970 -3.8970 -3.8912 -3.8912 4.2229 4.2229 6.9991 6.9991 8.0014 8.0014 8.2427 8.2427 8.9155 8.9155 9.2082 9.2082 9.9422 9.9422 10.4158 10.4158 11.3113 11.3113 13.9184 13.9184 18.4239 18.4239 k = 0.5921-0.0532 0.4620 ( 6572 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3083 -34.3083 -34.2945 -34.2945 -33.6775 -33.6775 -33.6664 -33.6664 -4.3576 -4.3576 -4.3551 -4.3551 -3.9016 -3.9016 -3.8969 -3.8969 -3.8913 -3.8913 4.2274 4.2274 6.9943 6.9943 8.0024 8.0024 8.2353 8.2353 8.9316 8.9316 9.2173 9.2173 9.9377 9.9377 10.4010 10.4010 11.2661 11.2661 14.0092 14.0092 18.3546 18.3546 k = 0.5855-0.0494 0.4727 ( 6573 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3082 -34.3082 -34.2946 -34.2946 -33.6774 -33.6774 -33.6665 -33.6665 -4.3576 -4.3576 -4.3551 -4.3551 -3.9016 -3.9016 -3.8968 -3.8968 -3.8913 -3.8913 4.2326 4.2326 6.9888 6.9888 8.0037 8.0037 8.2270 8.2270 8.9502 8.9502 9.2281 9.2281 9.9325 9.9325 10.3827 10.3827 11.2172 11.2172 14.1147 14.1147 18.2623 18.2623 k = 0.5789-0.0456 0.4835 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3080 -34.3080 -34.2948 -34.2948 -33.6774 -33.6774 -33.6666 -33.6666 -4.3576 -4.3576 -4.3551 -4.3551 -3.9016 -3.9016 -3.8966 -3.8966 -3.8914 -3.8914 4.2386 4.2386 6.9825 6.9825 8.0054 8.0054 8.2179 8.2179 8.9707 8.9707 9.2405 9.2405 9.9267 9.9267 10.3608 10.3608 11.1666 11.1666 14.2325 14.2325 18.1475 18.1475 k = 0.5724-0.0418 0.4942 ( 6574 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3079 -34.3079 -34.2950 -34.2950 -33.6773 -33.6773 -33.6666 -33.6666 -4.3575 -4.3575 -4.3551 -4.3551 -3.9016 -3.9016 -3.8964 -3.8964 -3.8915 -3.8915 4.2451 4.2451 6.9756 6.9756 8.0074 8.0074 8.2085 8.2085 8.9926 8.9926 9.2539 9.2539 9.9207 9.9207 10.3353 10.3353 11.1166 11.1166 14.3609 14.3609 18.0139 18.0139 k = 0.5658-0.0380 0.5049 ( 6584 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3077 -34.3077 -34.2952 -34.2952 -33.6771 -33.6771 -33.6667 -33.6667 -4.3575 -4.3575 -4.3551 -4.3551 -3.9017 -3.9017 -3.8962 -3.8962 -3.8917 -3.8917 4.2521 4.2521 6.9682 6.9682 8.0100 8.0100 8.1987 8.1987 9.0155 9.0155 9.2679 9.2679 9.9147 9.9147 10.3064 10.3064 11.0687 11.0687 14.4980 14.4980 17.8660 17.8660 k = 0.5592-0.0342 0.5157 ( 6580 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3075 -34.3075 -34.2954 -34.2954 -33.6770 -33.6770 -33.6668 -33.6668 -4.3575 -4.3575 -4.3551 -4.3551 -3.9017 -3.9017 -3.8960 -3.8960 -3.8918 -3.8918 4.2595 4.2595 6.9606 6.9606 8.0129 8.0129 8.1889 8.1889 9.0390 9.0390 9.2818 9.2818 9.9092 9.9092 10.2746 10.2746 11.0242 11.0242 14.6425 14.6425 17.7083 17.7083 k = 0.5526-0.0304 0.5264 ( 6589 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3073 -34.3073 -34.2956 -34.2956 -33.6769 -33.6769 -33.6669 -33.6669 -4.3574 -4.3574 -4.3551 -4.3551 -3.9017 -3.9017 -3.8958 -3.8958 -3.8919 -3.8919 4.2670 4.2670 6.9529 6.9529 8.0164 8.0164 8.1791 8.1791 9.0629 9.0629 9.2948 9.2948 9.9049 9.9049 10.2405 10.2405 10.9839 10.9839 14.7928 14.7928 17.5443 17.5443 k = 0.5461-0.0266 0.5372 ( 6589 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3071 -34.3071 -34.2959 -34.2959 -33.6768 -33.6768 -33.6670 -33.6670 -4.3574 -4.3574 -4.3550 -4.3550 -3.9017 -3.9017 -3.8956 -3.8956 -3.8921 -3.8921 4.2744 4.2744 6.9452 6.9452 8.0204 8.0204 8.1694 8.1694 9.0870 9.0870 9.3057 9.3057 9.9024 9.9024 10.2049 10.2049 10.9482 10.9482 14.9479 14.9479 17.3767 17.3767 k = 0.5395-0.0228 0.5479 ( 6598 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3070 -34.3070 -34.2961 -34.2961 -33.6767 -33.6767 -33.6670 -33.6670 -4.3574 -4.3574 -4.3550 -4.3550 -3.9017 -3.9017 -3.8954 -3.8954 -3.8923 -3.8923 4.2816 4.2816 6.9380 6.9380 8.0248 8.0248 8.1601 8.1601 9.1110 9.1110 9.3136 9.3136 9.9026 9.9026 10.1686 10.1686 10.9173 10.9173 15.1063 15.1063 17.2075 17.2075 k = 0.5329-0.0190 0.5587 ( 6602 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3068 -34.3068 -34.2963 -34.2963 -33.6766 -33.6766 -33.6671 -33.6671 -4.3574 -4.3574 -4.3550 -4.3550 -3.9017 -3.9017 -3.8951 -3.8951 -3.8924 -3.8924 4.2884 4.2884 6.9312 6.9312 8.0295 8.0295 8.1511 8.1511 9.1347 9.1347 9.3174 9.3174 9.9062 9.9062 10.1328 10.1328 10.8912 10.8912 15.2667 15.2667 17.0386 17.0386 k = 0.5263-0.0152 0.5694 ( 6614 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3066 -34.3066 -34.2965 -34.2965 -33.6765 -33.6765 -33.6672 -33.6672 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8949 -3.8949 -3.8926 -3.8926 4.2944 4.2944 6.9252 6.9252 8.0344 8.0344 8.1427 8.1427 9.1580 9.1580 9.3166 9.3166 9.9138 9.9138 10.0981 10.0981 10.8699 10.8699 15.4273 15.4273 16.8719 16.8719 k = 0.5197-0.0114 0.5801 ( 6610 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3065 -34.3065 -34.2966 -34.2966 -33.6765 -33.6765 -33.6672 -33.6672 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8947 -3.8947 -3.8928 -3.8928 4.2996 4.2996 6.9202 6.9202 8.0391 8.0391 8.1353 8.1353 9.1804 9.1804 9.3111 9.3111 9.9256 9.9256 10.0653 10.0653 10.8531 10.8531 15.5850 15.5850 16.7101 16.7101 k = 0.5132-0.0076 0.5909 ( 6612 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3064 -34.3064 -34.2968 -34.2968 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8945 -3.8945 -3.8929 -3.8929 4.3035 4.3035 6.9164 6.9164 8.0433 8.0433 8.1291 8.1291 9.2011 9.2011 9.3018 9.3018 9.9415 9.9415 10.0350 10.0350 10.8410 10.8410 15.7339 15.7339 16.5590 16.5590 k = 0.5066-0.0038 0.6016 ( 6618 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3063 -34.3063 -34.2968 -34.2968 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8944 -3.8944 -3.8930 -3.8930 4.3061 4.3061 6.9140 6.9140 8.0463 8.0463 8.1250 8.1250 9.2180 9.2180 9.2911 9.2911 9.9608 9.9608 10.0074 10.0074 10.8337 10.8337 15.8578 15.8578 16.4343 16.4343 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3081 -80.3081 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8943 -3.8943 -3.8931 -3.8931 4.3070 4.3070 6.9132 6.9132 8.0475 8.0475 8.1234 8.1234 9.2256 9.2256 9.2855 9.2855 9.9810 9.9810 9.9846 9.9846 10.8311 10.8311 15.9128 15.9128 16.3792 16.3792 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3081 -80.3081 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8943 -3.8943 -3.8931 -3.8931 4.3070 4.3070 6.9132 6.9132 8.0475 8.0475 8.1234 8.1234 9.2256 9.2256 9.2855 9.2855 9.9810 9.9810 9.9846 9.9846 10.8311 10.8311 15.9128 15.9128 16.3792 16.3792 k = 0.5000 0.0078 0.6013 ( 6616 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8943 -3.8943 -3.8931 -3.8931 4.3071 4.3071 6.9096 6.9096 8.0445 8.0445 8.1262 8.1262 9.2114 9.2114 9.2962 9.2962 9.9524 9.9524 10.0197 10.0197 10.8370 10.8370 15.9103 15.9103 16.3799 16.3799 k = 0.5000 0.0156 0.5903 ( 6608 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6673 -33.6673 -4.3573 -4.3573 -4.3550 -4.3550 -3.9018 -3.9018 -3.8944 -3.8944 -3.8931 -3.8931 4.3075 4.3075 6.8988 6.8988 8.0367 8.0367 8.1333 8.1333 9.1823 9.1823 9.3151 9.3151 9.9269 9.9269 10.0646 10.0646 10.8544 10.8544 15.9028 15.9028 16.3821 16.3821 k = 0.5000 0.0234 0.5793 ( 6610 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3063 -34.3063 -34.2969 -34.2969 -33.6764 -33.6764 -33.6674 -33.6674 -4.3573 -4.3573 -4.3549 -4.3549 -3.9018 -3.9018 -3.8944 -3.8944 -3.8930 -3.8930 4.3082 4.3082 6.8812 6.8812 8.0255 8.0255 8.1432 8.1432 9.1487 9.1487 9.3329 9.3329 9.9048 9.9048 10.1184 10.1184 10.8828 10.8828 15.8905 15.8905 16.3856 16.3856 k = 0.5000 0.0312 0.5682 ( 6604 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3062 -34.3062 -34.2968 -34.2968 -33.6764 -33.6764 -33.6674 -33.6674 -4.3574 -4.3574 -4.3549 -4.3549 -3.9017 -3.9017 -3.8944 -3.8944 -3.8930 -3.8930 4.3091 4.3091 6.8572 6.8572 8.0120 8.0120 8.1541 8.1541 9.1139 9.1139 9.3478 9.3478 9.8849 9.8849 10.1814 10.1814 10.9214 10.9214 15.8736 15.8736 16.3903 16.3903 k = 0.5000 0.0390 0.5572 ( 6592 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3062 -34.3062 -34.2968 -34.2968 -33.6764 -33.6764 -33.6674 -33.6674 -4.3574 -4.3574 -4.3548 -4.3548 -3.9017 -3.9017 -3.8944 -3.8944 -3.8930 -3.8930 4.3102 4.3102 6.8275 6.8275 7.9969 7.9969 8.1652 8.1652 9.0793 9.0793 9.3596 9.3596 9.8666 9.8666 10.2534 10.2534 10.9696 10.9696 15.8526 15.8526 16.3961 16.3961 k = 0.5000 0.0468 0.5462 ( 6592 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3061 -34.3061 -34.2968 -34.2968 -33.6764 -33.6764 -33.6675 -33.6675 -4.3575 -4.3575 -4.3547 -4.3547 -3.9017 -3.9017 -3.8945 -3.8945 -3.8929 -3.8929 4.3117 4.3117 6.7927 6.7927 7.9804 7.9804 8.1758 8.1758 9.0460 9.0460 9.3690 9.3690 9.8498 9.8498 10.3336 10.3336 11.0263 11.0263 15.8279 15.8279 16.4027 16.4027 k = 0.5000 0.0546 0.5351 ( 6598 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3060 -34.3060 -34.2968 -34.2968 -33.6764 -33.6764 -33.6676 -33.6676 -4.3575 -4.3575 -4.3546 -4.3546 -3.9017 -3.9017 -3.8945 -3.8945 -3.8928 -3.8928 4.3133 4.3133 6.7535 6.7535 7.9625 7.9625 8.1851 8.1851 9.0150 9.0150 9.3764 9.3764 9.8342 9.8342 10.4212 10.4212 11.0908 11.0908 15.7998 15.7998 16.4099 16.4099 k = 0.5000 0.0624 0.5241 ( 6584 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3060 -34.3060 -34.2967 -34.2967 -33.6764 -33.6764 -33.6676 -33.6676 -4.3576 -4.3576 -4.3545 -4.3545 -3.9017 -3.9017 -3.8946 -3.8946 -3.8928 -3.8928 4.3152 4.3152 6.7107 6.7107 7.9436 7.9436 8.1927 8.1927 8.9866 8.9866 9.3824 9.3824 9.8200 9.8200 10.5154 10.5154 11.1625 11.1625 15.7688 15.7688 16.4175 16.4175 k = 0.5000 0.0702 0.5131 ( 6580 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3059 -34.3059 -34.2966 -34.2966 -33.6764 -33.6764 -33.6677 -33.6677 -4.3577 -4.3577 -4.3544 -4.3544 -3.9016 -3.9016 -3.8946 -3.8946 -3.8927 -3.8927 4.3173 4.3173 6.6648 6.6648 7.9236 7.9236 8.1982 8.1982 8.9613 8.9613 9.3877 9.3877 9.8072 9.8072 10.6155 10.6155 11.2405 11.2405 15.7353 15.7353 16.4251 16.4251 k = 0.5000 0.0780 0.5020 ( 6580 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3058 -34.3058 -34.2966 -34.2966 -33.6765 -33.6765 -33.6678 -33.6678 -4.3577 -4.3577 -4.3543 -4.3543 -3.9016 -3.9016 -3.8947 -3.8947 -3.8926 -3.8926 4.3196 4.3196 6.6166 6.6166 7.9027 7.9027 8.2013 8.2013 8.9392 8.9392 9.3925 9.3925 9.7959 9.7959 10.7206 10.7206 11.3246 11.3246 15.6999 15.6999 16.4324 16.4324 k = 0.5000 0.0858 0.4910 ( 6578 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3058 -34.3058 -34.2965 -34.2965 -33.6765 -33.6765 -33.6679 -33.6679 -4.3578 -4.3578 -4.3542 -4.3542 -3.9017 -3.9017 -3.8947 -3.8947 -3.8924 -3.8924 4.3221 4.3221 6.5667 6.5667 7.8810 7.8810 8.2017 8.2017 8.9204 8.9204 9.3973 9.3973 9.7860 9.7860 10.8303 10.8303 11.4141 11.4141 15.6628 15.6628 16.4391 16.4391 k = 0.5000 0.0936 0.4800 ( 6566 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3057 -34.3057 -34.2964 -34.2964 -33.6766 -33.6766 -33.6679 -33.6679 -4.3579 -4.3579 -4.3540 -4.3540 -3.9017 -3.9017 -3.8948 -3.8948 -3.8923 -3.8923 4.3247 4.3247 6.5155 6.5155 7.8587 7.8587 8.1994 8.1994 8.9049 8.9049 9.4023 9.4023 9.7775 9.7775 10.9439 10.9439 11.5088 11.5088 15.6246 15.6246 16.4446 16.4446 k = 0.5000 0.1014 0.4689 ( 6566 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3056 -34.3056 -34.2963 -34.2963 -33.6766 -33.6766 -33.6680 -33.6680 -4.3580 -4.3580 -4.3539 -4.3539 -3.9017 -3.9017 -3.8948 -3.8948 -3.8921 -3.8921 4.3275 4.3275 6.4637 6.4637 7.8360 7.8360 8.1945 8.1945 8.8924 8.8924 9.4076 9.4076 9.7704 9.7704 11.0610 11.0610 11.6084 11.6084 15.5855 15.5855 16.4485 16.4485 k = 0.5000 0.1092 0.4579 ( 6560 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3056 -34.3056 -34.2962 -34.2962 -33.6767 -33.6767 -33.6681 -33.6681 -4.3580 -4.3580 -4.3537 -4.3537 -3.9018 -3.9018 -3.8949 -3.8949 -3.8920 -3.8920 4.3305 4.3305 6.4115 6.4115 7.8130 7.8130 8.1871 8.1871 8.8826 8.8826 9.4133 9.4133 9.7648 9.7648 11.1811 11.1811 11.7124 11.7124 15.5460 15.5460 16.4502 16.4502 k = 0.5000 0.1170 0.4469 ( 6560 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3056 -34.3056 -34.2960 -34.2960 -33.6768 -33.6768 -33.6681 -33.6681 -4.3581 -4.3581 -4.3536 -4.3536 -3.9018 -3.9018 -3.8949 -3.8949 -3.8918 -3.8918 4.3336 4.3336 6.3595 6.3595 7.7900 7.7900 8.1776 8.1776 8.8752 8.8752 9.4195 9.4195 9.7605 9.7605 11.3038 11.3038 11.8208 11.8208 15.5063 15.5063 16.4490 16.4490 k = 0.5000 0.1248 0.4358 ( 6560 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3055 -34.3055 -34.2959 -34.2959 -33.6769 -33.6769 -33.6681 -33.6681 -4.3582 -4.3582 -4.3534 -4.3534 -3.9019 -3.9019 -3.8949 -3.8949 -3.8916 -3.8916 4.3367 4.3367 6.3080 6.3080 7.7669 7.7669 8.1661 8.1661 8.8699 8.8699 9.4260 9.4260 9.7575 9.7575 11.4289 11.4289 11.9333 11.9333 15.4668 15.4668 16.4443 16.4443 k = 0.5000 0.1326 0.4248 ( 6556 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3055 -34.3055 -34.2957 -34.2957 -33.6771 -33.6771 -33.6682 -33.6682 -4.3583 -4.3583 -4.3533 -4.3533 -3.9020 -3.9020 -3.8949 -3.8949 -3.8914 -3.8914 4.3400 4.3400 6.2572 6.2572 7.7441 7.7441 8.1532 8.1532 8.8663 8.8663 9.4328 9.4328 9.7558 9.7558 11.5561 11.5561 12.0495 12.0495 15.4277 15.4277 16.4353 16.4353 k = 0.5000 0.1404 0.4138 ( 6552 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3055 -34.3055 -34.2955 -34.2955 -33.6772 -33.6772 -33.6682 -33.6682 -4.3584 -4.3584 -4.3531 -4.3531 -3.9022 -3.9022 -3.8949 -3.8949 -3.8912 -3.8912 4.3432 4.3432 6.2076 6.2076 7.7217 7.7217 8.1391 8.1391 8.8641 8.8641 9.4398 9.4398 9.7553 9.7553 11.6850 11.6850 12.1694 12.1694 15.3892 15.3892 16.4212 16.4212 k = 0.5000 0.1482 0.4027 ( 6552 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3055 -34.3055 -34.2954 -34.2954 -33.6774 -33.6774 -33.6682 -33.6682 -4.3585 -4.3585 -4.3530 -4.3530 -3.9023 -3.9023 -3.8949 -3.8949 -3.8910 -3.8910 4.3466 4.3466 6.1593 6.1593 7.6997 7.6997 8.1242 8.1242 8.8629 8.8629 9.4468 9.4468 9.7560 9.7560 11.8154 11.8154 12.2926 12.2926 15.3517 15.3517 16.4012 16.4012 k = 0.5000 0.1560 0.3917 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3055 -34.3055 -34.2952 -34.2952 -33.6775 -33.6775 -33.6681 -33.6681 -4.3585 -4.3585 -4.3528 -4.3528 -3.9025 -3.9025 -3.8949 -3.8949 -3.8908 -3.8908 4.3499 4.3499 6.1126 6.1126 7.6783 7.6783 8.1088 8.1088 8.8626 8.8626 9.4537 9.4537 9.7577 9.7577 11.9471 11.9471 12.4189 12.4189 15.3153 15.3153 16.3747 16.3747 k = 0.5000 0.1638 0.3807 ( 6562 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2950 -34.2950 -33.6777 -33.6777 -33.6681 -33.6681 -4.3586 -4.3586 -4.3527 -4.3527 -3.9026 -3.9026 -3.8948 -3.8948 -3.8905 -3.8905 4.3532 4.3532 6.0677 6.0677 7.6576 7.6576 8.0931 8.0931 8.8629 8.8629 9.4603 9.4603 9.7606 9.7606 12.0799 12.0799 12.5481 12.5481 15.2802 15.2802 16.3409 16.3409 k = 0.5000 0.1716 0.3696 ( 6558 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2947 -34.2947 -33.6779 -33.6779 -33.6681 -33.6681 -4.3587 -4.3587 -4.3525 -4.3525 -3.9028 -3.9028 -3.8948 -3.8948 -3.8903 -3.8903 4.3565 4.3565 6.0247 6.0247 7.6378 7.6378 8.0775 8.0775 8.8636 8.8636 9.4666 9.4666 9.7643 9.7643 12.2136 12.2136 12.6799 12.6799 15.2467 15.2467 16.2993 16.2993 k = 0.5000 0.1794 0.3586 ( 6554 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2945 -34.2945 -33.6781 -33.6781 -33.6680 -33.6680 -4.3588 -4.3588 -4.3524 -4.3524 -3.9030 -3.9030 -3.8948 -3.8948 -3.8901 -3.8901 4.3597 4.3597 5.9839 5.9839 7.6188 7.6188 8.0621 8.0621 8.8647 8.8647 9.4724 9.4724 9.7688 9.7688 12.3480 12.3480 12.8139 12.8139 15.2149 15.2149 16.2498 16.2498 k = 0.5000 0.1872 0.3476 ( 6556 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2943 -34.2943 -33.6783 -33.6783 -33.6680 -33.6680 -4.3588 -4.3588 -4.3522 -4.3522 -3.9031 -3.9031 -3.8947 -3.8947 -3.8898 -3.8898 4.3628 4.3628 5.9453 5.9453 7.6009 7.6009 8.0471 8.0471 8.8659 8.8659 9.4777 9.4777 9.7740 9.7740 12.4828 12.4828 12.9498 12.9498 15.1849 15.1849 16.1921 16.1921 k = 0.5000 0.1951 0.3365 ( 6558 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3057 -34.3057 -34.2941 -34.2941 -33.6785 -33.6785 -33.6679 -33.6679 -4.3589 -4.3589 -4.3521 -4.3521 -3.9033 -3.9033 -3.8947 -3.8947 -3.8896 -3.8896 4.3658 4.3658 5.9091 5.9091 7.5840 7.5840 8.0328 8.0328 8.8673 8.8673 9.4825 9.4825 9.7797 9.7797 12.6177 12.6177 13.0873 13.0873 15.1570 15.1570 16.1264 16.1264 k = 0.5000 0.2029 0.3255 ( 6556 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3058 -34.3058 -34.2939 -34.2939 -33.6787 -33.6787 -33.6679 -33.6679 -4.3590 -4.3590 -4.3520 -4.3520 -3.9035 -3.9035 -3.8947 -3.8947 -3.8894 -3.8894 4.3686 4.3686 5.8755 5.8755 7.5682 7.5682 8.0191 8.0191 8.8687 8.8687 9.4868 9.4868 9.7858 9.7858 12.7523 12.7523 13.2260 13.2260 15.1313 15.1313 16.0532 16.0532 k = 0.5000 0.2107 0.3145 ( 6556 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3058 -34.3058 -34.2937 -34.2937 -33.6788 -33.6788 -33.6678 -33.6678 -4.3590 -4.3590 -4.3519 -4.3519 -3.9036 -3.9036 -3.8946 -3.8946 -3.8892 -3.8892 4.3713 4.3713 5.8444 5.8444 7.5536 7.5536 8.0064 8.0064 8.8701 8.8701 9.4905 9.4905 9.7920 9.7920 12.8861 12.8861 13.3654 13.3654 15.1080 15.1080 15.9732 15.9732 k = 0.5000 0.2185 0.3034 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2935 -34.2935 -33.6790 -33.6790 -33.6678 -33.6678 -4.3591 -4.3591 -4.3518 -4.3518 -3.9038 -3.9038 -3.8946 -3.8946 -3.8890 -3.8890 4.3738 4.3738 5.8161 5.8161 7.5402 7.5402 7.9945 7.9945 8.8715 8.8715 9.4937 9.4937 9.7982 9.7982 13.0186 13.0186 13.5050 13.5050 15.0873 15.0873 15.8873 15.8873 k = 0.5000 0.2263 0.2924 ( 6548 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2933 -34.2933 -33.6792 -33.6792 -33.6677 -33.6677 -4.3592 -4.3592 -4.3517 -4.3517 -3.9039 -3.9039 -3.8945 -3.8945 -3.8888 -3.8888 4.3761 4.3761 5.7906 5.7906 7.5281 7.5281 7.9838 7.9838 8.8727 8.8727 9.4965 9.4965 9.8042 9.8042 13.1487 13.1487 13.6440 13.6440 15.0695 15.0695 15.7967 15.7967 k = 0.5000 0.2341 0.2814 ( 6542 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2932 -34.2932 -33.6793 -33.6793 -33.6677 -33.6677 -4.3592 -4.3592 -4.3516 -4.3516 -3.9041 -3.9041 -3.8945 -3.8945 -3.8887 -3.8887 4.3782 4.3782 5.7679 5.7679 7.5174 7.5174 7.9741 7.9741 8.8739 8.8739 9.4988 9.4988 9.8099 9.8099 13.2755 13.2755 13.7816 13.7816 15.0548 15.0548 15.7031 15.7031 k = 0.5000 0.2419 0.2703 ( 6540 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2930 -34.2930 -33.6794 -33.6794 -33.6676 -33.6676 -4.3592 -4.3592 -4.3515 -4.3515 -3.9042 -3.9042 -3.8945 -3.8945 -3.8885 -3.8885 4.3801 4.3801 5.7481 5.7481 7.5080 7.5080 7.9656 7.9656 8.8750 8.8750 9.5007 9.5007 9.8151 9.8151 13.3971 13.3971 13.9164 13.9164 15.0434 15.0434 15.6086 15.6086 k = 0.5000 0.2497 0.2593 ( 6542 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2929 -34.2929 -33.6796 -33.6796 -33.6676 -33.6676 -4.3593 -4.3593 -4.3515 -4.3515 -3.9043 -3.9043 -3.8945 -3.8945 -3.8884 -3.8884 4.3817 4.3817 5.7313 5.7313 7.5000 7.5000 7.9583 7.9583 8.8759 8.8759 9.5022 9.5022 9.8198 9.8198 13.5115 13.5115 14.0465 14.0465 15.0355 15.0355 15.5162 15.5162 k = 0.5000 0.2575 0.2483 ( 6540 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2928 -34.2928 -33.6796 -33.6796 -33.6676 -33.6676 -4.3593 -4.3593 -4.3514 -4.3514 -3.9044 -3.9044 -3.8944 -3.8944 -3.8883 -3.8883 4.3830 4.3830 5.7175 5.7175 7.4934 7.4934 7.9523 7.9523 8.8767 8.8767 9.5034 9.5034 9.8237 9.8237 13.6155 13.6155 14.1691 14.1691 15.0309 15.0309 15.4299 15.4299 k = 0.5000 0.2653 0.2372 ( 6542 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6797 -33.6797 -33.6675 -33.6675 -4.3593 -4.3593 -4.3514 -4.3514 -3.9044 -3.9044 -3.8944 -3.8944 -3.8882 -3.8882 4.3840 4.3840 5.7067 5.7067 7.4883 7.4883 7.9476 7.9476 8.8773 8.8773 9.5044 9.5044 9.8269 9.8269 13.7050 13.7050 14.2795 14.2795 15.0282 15.0282 15.3561 15.3561 k = 0.5000 0.2731 0.2262 ( 6548 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8882 -3.8882 4.3848 4.3848 5.6990 5.6990 7.4846 7.4846 7.9443 7.9443 8.8777 8.8777 9.5050 9.5050 9.8292 9.8292 13.7751 13.7751 14.3710 14.3710 15.0248 15.0248 15.3028 15.3028 k = 0.5000 0.2809 0.2152 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3852 4.3852 5.6943 5.6943 7.4824 7.4824 7.9422 7.9422 8.8780 8.8780 9.5054 9.5054 9.8306 9.8306 13.8202 13.8202 14.4335 14.4335 15.0191 15.0191 15.2756 15.2756 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2926 -34.2926 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3854 4.3854 5.6928 5.6928 7.4817 7.4817 7.9416 7.9416 8.8780 8.8780 9.5055 9.5055 9.8310 9.8310 13.8358 13.8358 14.4561 14.4561 15.0157 15.0157 15.2688 15.2688 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2926 -34.2926 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3854 4.3854 5.6928 5.6928 7.4817 7.4817 7.9416 7.9416 8.8780 8.8780 9.5055 9.5055 9.8310 9.8310 13.8358 13.8358 14.4561 14.4561 15.0157 15.0157 15.2688 15.2688 k = 0.4961 0.2864 0.2169 ( 6550 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8881 -3.8881 4.3852 4.3852 5.6943 5.6943 7.4824 7.4824 7.9422 7.9422 8.8780 8.8780 9.5054 9.5054 9.8306 9.8306 13.8201 13.8201 14.4334 14.4334 15.0191 15.0191 15.2756 15.2756 k = 0.4922 0.2842 0.2296 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6798 -33.6798 -33.6675 -33.6675 -4.3594 -4.3594 -4.3513 -4.3513 -3.9045 -3.9045 -3.8944 -3.8944 -3.8882 -3.8882 4.3848 4.3848 5.6990 5.6990 7.4846 7.4846 7.9443 7.9443 8.8777 8.8777 9.5050 9.5050 9.8292 9.8292 13.7749 13.7749 14.3709 14.3709 15.0243 15.0243 15.3035 15.3035 k = 0.4883 0.2819 0.2424 ( 6540 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2927 -34.2927 -33.6797 -33.6797 -33.6675 -33.6675 -4.3593 -4.3593 -4.3514 -4.3514 -3.9044 -3.9044 -3.8944 -3.8944 -3.8882 -3.8882 4.3840 4.3840 5.7067 5.7067 7.4883 7.4883 7.9477 7.9477 8.8773 8.8773 9.5044 9.5044 9.8268 9.8268 13.7045 13.7045 14.2801 14.2801 15.0248 15.0248 15.3599 15.3599 k = 0.4844 0.2797 0.2552 ( 6542 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3061 -34.3061 -34.2928 -34.2928 -33.6796 -33.6796 -33.6676 -33.6676 -4.3593 -4.3593 -4.3514 -4.3514 -3.9044 -3.9044 -3.8944 -3.8944 -3.8883 -3.8883 4.3830 4.3830 5.7175 5.7175 7.4935 7.4935 7.9524 7.9524 8.8767 8.8767 9.5034 9.5034 9.8237 9.8237 13.6140 13.6140 14.1719 14.1719 15.0202 15.0202 15.4419 15.4419 k = 0.4805 0.2774 0.2679 ( 6546 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2929 -34.2929 -33.6796 -33.6796 -33.6676 -33.6676 -4.3593 -4.3593 -4.3515 -4.3515 -3.9043 -3.9043 -3.8945 -3.8945 -3.8884 -3.8884 4.3816 4.3816 5.7314 5.7314 7.5001 7.5001 7.9584 7.9584 8.8759 8.8759 9.5022 9.5022 9.8197 9.8197 13.5082 13.5082 14.0541 14.0541 15.0123 15.0123 15.5424 15.5424 k = 0.4766 0.2751 0.2807 ( 6558 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2931 -34.2931 -33.6794 -33.6794 -33.6676 -33.6676 -4.3592 -4.3592 -4.3515 -4.3515 -3.9042 -3.9042 -3.8945 -3.8945 -3.8885 -3.8885 4.3801 4.3801 5.7483 5.7483 7.5081 7.5081 7.9657 7.9657 8.8750 8.8750 9.5006 9.5006 9.8151 9.8151 13.3905 13.3905 13.9319 13.9319 15.0022 15.0022 15.6560 15.6560 k = 0.4727 0.2729 0.2934 ( 6554 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3060 -34.3060 -34.2932 -34.2932 -33.6793 -33.6793 -33.6677 -33.6677 -4.3592 -4.3592 -4.3516 -4.3516 -3.9041 -3.9041 -3.8945 -3.8945 -3.8887 -3.8887 4.3782 4.3782 5.7681 5.7681 7.5175 7.5175 7.9742 7.9742 8.8739 8.8739 9.4986 9.4986 9.8099 9.8099 13.2639 13.2639 13.8083 13.8083 14.9902 14.9902 15.7791 15.7791 k = 0.4688 0.2706 0.3062 ( 6560 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2934 -34.2934 -33.6792 -33.6792 -33.6677 -33.6677 -4.3592 -4.3592 -4.3517 -4.3517 -3.9039 -3.9039 -3.8945 -3.8945 -3.8888 -3.8888 4.3761 4.3761 5.7909 5.7909 7.5283 7.5283 7.9839 7.9839 8.8727 8.8727 9.4962 9.4962 9.8043 9.8043 13.1305 13.1305 13.6853 13.6853 14.9762 14.9762 15.9096 15.9096 k = 0.4648 0.2684 0.3189 ( 6556 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3059 -34.3059 -34.2935 -34.2935 -33.6790 -33.6790 -33.6678 -33.6678 -4.3591 -4.3591 -4.3518 -4.3518 -3.9038 -3.9038 -3.8946 -3.8946 -3.8890 -3.8890 4.3737 4.3737 5.8166 5.8166 7.5404 7.5404 7.9947 7.9947 8.8714 8.8714 9.4932 9.4932 9.7985 9.7985 12.9920 12.9920 13.5639 13.5639 14.9599 14.9599 16.0459 16.0459 k = 0.4609 0.2661 0.3317 ( 6552 PWs) bands (ev): -80.3081 -80.3081 -47.1811 -47.1811 -34.3058 -34.3058 -34.2937 -34.2937 -33.6788 -33.6788 -33.6678 -33.6678 -4.3590 -4.3590 -4.3519 -4.3519 -3.9036 -3.9036 -3.8946 -3.8946 -3.8892 -3.8892 4.3711 4.3711 5.8451 5.8451 7.5538 7.5538 8.0066 8.0066 8.8700 8.8700 9.4895 9.4895 9.7927 9.7927 12.8500 12.8500 13.4446 13.4446 14.9410 14.9410 16.1869 16.1869 k = 0.4570 0.2639 0.3445 ( 6548 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3058 -34.3058 -34.2939 -34.2939 -33.6787 -33.6787 -33.6679 -33.6679 -4.3590 -4.3590 -4.3520 -4.3520 -3.9035 -3.9035 -3.8947 -3.8947 -3.8894 -3.8894 4.3683 4.3683 5.8765 5.8765 7.5684 7.5684 8.0194 8.0194 8.8686 8.8686 9.4849 9.4849 9.7872 9.7872 12.7056 12.7056 13.3277 13.3277 14.9194 14.9194 16.3320 16.3320 k = 0.4531 0.2616 0.3572 ( 6549 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2941 -34.2941 -33.6785 -33.6785 -33.6679 -33.6679 -4.3589 -4.3589 -4.3521 -4.3521 -3.9033 -3.9033 -3.8947 -3.8947 -3.8896 -3.8896 4.3652 4.3652 5.9105 5.9105 7.5842 7.5842 8.0331 8.0331 8.8671 8.8671 9.4794 9.4794 9.7822 9.7822 12.5600 12.5600 13.2133 13.2133 14.8945 14.8945 16.4806 16.4806 k = 0.4492 0.2594 0.3700 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2943 -34.2943 -33.6783 -33.6783 -33.6680 -33.6680 -4.3588 -4.3588 -4.3523 -4.3523 -3.9031 -3.9031 -3.8947 -3.8947 -3.8898 -3.8898 4.3619 4.3619 5.9473 5.9473 7.6012 7.6012 8.0476 8.0476 8.8656 8.8656 9.4727 9.4727 9.7781 9.7781 12.4140 12.4140 13.1013 13.1013 14.8664 14.8664 16.6323 16.6323 k = 0.4453 0.2571 0.3827 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2945 -34.2945 -33.6781 -33.6781 -33.6680 -33.6680 -4.3588 -4.3588 -4.3524 -4.3524 -3.9030 -3.9030 -3.8948 -3.8948 -3.8901 -3.8901 4.3583 4.3583 5.9866 5.9866 7.6192 7.6192 8.0628 8.0628 8.8642 8.8642 9.4648 9.4648 9.7751 9.7751 12.2685 12.2685 12.9917 12.9917 14.8347 14.8347 16.7869 16.7869 k = 0.4414 0.2548 0.3955 ( 6553 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2947 -34.2947 -33.6779 -33.6779 -33.6681 -33.6681 -4.3587 -4.3587 -4.3525 -4.3525 -3.9028 -3.9028 -3.8948 -3.8948 -3.8903 -3.8903 4.3545 4.3545 6.0285 6.0285 7.6382 7.6382 8.0784 8.0784 8.8629 8.8629 9.4553 9.4553 9.7736 9.7736 12.1241 12.1241 12.8844 12.8844 14.7993 14.7993 16.9439 16.9439 k = 0.4375 0.2526 0.4082 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2949 -34.2949 -33.6778 -33.6778 -33.6681 -33.6681 -4.3586 -4.3586 -4.3527 -4.3527 -3.9026 -3.9026 -3.8949 -3.8949 -3.8905 -3.8905 4.3504 4.3504 6.0729 6.0729 7.6581 7.6581 8.0944 8.0944 8.8617 8.8617 9.4442 9.4442 9.7740 9.7740 11.9815 11.9815 12.7794 12.7794 14.7602 14.7602 17.1031 17.1031 k = 0.4336 0.2503 0.4210 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3056 -34.3056 -34.2950 -34.2950 -33.6776 -33.6776 -33.6681 -33.6681 -4.3585 -4.3585 -4.3528 -4.3528 -3.9025 -3.9025 -3.8950 -3.8950 -3.8907 -3.8907 4.3460 4.3460 6.1196 6.1196 7.6789 7.6789 8.1105 8.1105 8.8607 8.8607 9.4315 9.4315 9.7763 9.7763 11.8412 11.8412 12.6765 12.6765 14.7172 14.7172 17.2639 17.2639 k = 0.4297 0.2481 0.4338 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1811 -47.1811 -34.3057 -34.3057 -34.2952 -34.2952 -33.6775 -33.6775 -33.6681 -33.6681 -4.3585 -4.3585 -4.3530 -4.3530 -3.9023 -3.9023 -3.8950 -3.8950 -3.8909 -3.8909 4.3413 4.3413 6.1687 6.1687 7.7004 7.7004 8.1267 8.1267 8.8601 8.8601 9.4171 9.4171 9.7808 9.7808 11.7037 11.7037 12.5758 12.5758 14.6706 14.6706 17.4257 17.4257 k = 0.4258 0.2458 0.4465 ( 6554 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3057 -34.3057 -34.2953 -34.2953 -33.6773 -33.6773 -33.6680 -33.6680 -4.3584 -4.3584 -4.3531 -4.3531 -3.9022 -3.9022 -3.8951 -3.8951 -3.8911 -3.8911 4.3363 4.3363 6.2199 6.2199 7.7226 7.7226 8.1425 8.1425 8.8598 8.8598 9.4011 9.4011 9.7876 9.7876 11.5696 11.5696 12.4772 12.4772 14.6204 14.6204 17.5871 17.5871 k = 0.4219 0.2436 0.4593 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3058 -34.3058 -34.2954 -34.2954 -33.6772 -33.6772 -33.6680 -33.6680 -4.3583 -4.3583 -4.3533 -4.3533 -3.9020 -3.9020 -3.8952 -3.8952 -3.8912 -3.8912 4.3308 4.3308 6.2733 6.2733 7.7453 7.7453 8.1579 8.1579 8.8600 8.8600 9.3836 9.3836 9.7969 9.7969 11.4392 11.4392 12.3807 12.3807 14.5666 14.5666 17.7454 17.7454 k = 0.4180 0.2413 0.4720 ( 6562 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3059 -34.3059 -34.2955 -34.2955 -33.6772 -33.6772 -33.6679 -33.6679 -4.3582 -4.3582 -4.3534 -4.3534 -3.9019 -3.9019 -3.8953 -3.8953 -3.8913 -3.8913 4.3250 4.3250 6.3286 6.3286 7.7685 7.7685 8.1725 8.1725 8.8607 8.8607 9.3648 9.3648 9.8085 9.8085 11.3132 11.3132 12.2864 12.2864 14.5096 14.5096 17.8946 17.8946 k = 0.4141 0.2391 0.4848 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3060 -34.3060 -34.2955 -34.2955 -33.6771 -33.6771 -33.6678 -33.6678 -4.3582 -4.3582 -4.3536 -4.3536 -3.9018 -3.9018 -3.8954 -3.8954 -3.8914 -3.8914 4.3186 4.3186 6.3858 6.3858 7.7920 7.7920 8.1861 8.1861 8.8620 8.8620 9.3450 9.3450 9.8224 9.8224 11.1918 11.1918 12.1941 12.1941 14.4495 14.4495 18.0232 18.0232 k = 0.4102 0.2368 0.4976 ( 6567 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3062 -34.3062 -34.2955 -34.2955 -33.6771 -33.6771 -33.6677 -33.6677 -4.3581 -4.3581 -4.3538 -4.3538 -3.9017 -3.9017 -3.8955 -3.8955 -3.8915 -3.8915 4.3118 4.3118 6.4447 6.4447 7.8157 7.8157 8.1985 8.1985 8.8640 8.8640 9.3245 9.3245 9.8385 9.8385 11.0758 11.0758 12.1041 12.1041 14.3866 14.3866 18.1225 18.1225 k = 0.4062 0.2345 0.5103 ( 6573 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3064 -34.3064 -34.2955 -34.2955 -33.6771 -33.6771 -33.6676 -33.6676 -4.3580 -4.3580 -4.3539 -4.3539 -3.9016 -3.9016 -3.8957 -3.8957 -3.8915 -3.8915 4.3043 4.3043 6.5051 6.5051 7.8395 7.8395 8.2094 8.2094 8.8666 8.8666 9.3036 9.3036 9.8565 9.8565 10.9656 10.9656 12.0162 12.0162 14.3213 14.3213 18.1977 18.1977 k = 0.4023 0.2323 0.5231 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3066 -34.3066 -34.2954 -34.2954 -33.6771 -33.6771 -33.6675 -33.6675 -4.3579 -4.3579 -4.3541 -4.3541 -3.9016 -3.9016 -3.8958 -3.8958 -3.8915 -3.8915 4.2962 4.2962 6.5667 6.5667 7.8632 7.8632 8.2188 8.2188 8.8699 8.8699 9.2829 9.2829 9.8760 9.8760 10.8620 10.8620 11.9306 11.9306 14.2537 14.2537 18.2587 18.2587 k = 0.3984 0.2300 0.5358 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3068 -34.3068 -34.2953 -34.2953 -33.6771 -33.6771 -33.6673 -33.6673 -4.3579 -4.3579 -4.3542 -4.3542 -3.9015 -3.9015 -3.8960 -3.8960 -3.8915 -3.8915 4.2873 4.2873 6.6295 6.6295 7.8866 7.8866 8.2264 8.2264 8.8735 8.8735 9.2628 9.2628 9.8965 9.8965 10.7657 10.7657 11.8474 11.8474 14.1842 14.1842 18.3111 18.3111 k = 0.3945 0.2278 0.5486 ( 6568 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3071 -34.3071 -34.2952 -34.2952 -33.6772 -33.6772 -33.6672 -33.6672 -4.3578 -4.3578 -4.3544 -4.3544 -3.9015 -3.9015 -3.8962 -3.8962 -3.8915 -3.8915 4.2777 4.2777 6.6930 6.6930 7.9094 7.9094 8.2324 8.2324 8.8774 8.8774 9.2439 9.2439 9.9170 9.9170 10.6781 10.6781 11.7667 11.7667 14.1131 14.1131 18.3574 18.3574 k = 0.3906 0.2255 0.5613 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3074 -34.3074 -34.2950 -34.2950 -33.6773 -33.6773 -33.6670 -33.6670 -4.3578 -4.3578 -4.3545 -4.3545 -3.9015 -3.9015 -3.8964 -3.8964 -3.8914 -3.8914 4.2672 4.2672 6.7569 6.7569 7.9314 7.9314 8.2371 8.2371 8.8811 8.8811 9.2270 9.2270 9.9361 9.9361 10.6006 10.6006 11.6885 11.6885 14.0408 14.0408 18.3990 18.3990 k = 0.3867 0.2233 0.5741 ( 6563 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3077 -34.3077 -34.2948 -34.2948 -33.6774 -33.6774 -33.6668 -33.6668 -4.3577 -4.3577 -4.3547 -4.3547 -3.9015 -3.9015 -3.8966 -3.8966 -3.8913 -3.8913 4.2557 4.2557 6.8209 6.8209 7.9521 7.9521 8.2409 8.2409 8.8841 8.8841 9.2127 9.2127 9.9516 9.9516 10.5354 10.5354 11.6130 11.6130 13.9674 13.9674 18.4364 18.4364 k = 0.3828 0.2210 0.5869 ( 6562 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3080 -34.3080 -34.2946 -34.2946 -33.6775 -33.6775 -33.6666 -33.6666 -4.3577 -4.3577 -4.3548 -4.3548 -3.9015 -3.9015 -3.8968 -3.8968 -3.8913 -3.8913 4.2432 4.2432 6.8844 6.8844 7.9710 7.9710 8.2448 8.2448 8.8859 8.8859 9.2017 9.2017 9.9610 9.9610 10.4854 10.4854 11.5405 11.5405 13.8933 13.8933 18.4699 18.4699 k = 0.3789 0.2188 0.5996 ( 6567 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3083 -34.3083 -34.2944 -34.2944 -33.6776 -33.6776 -33.6665 -33.6665 -4.3577 -4.3577 -4.3550 -4.3550 -3.9015 -3.9015 -3.8970 -3.8970 -3.8912 -3.8912 4.2296 4.2296 6.9469 6.9469 7.9871 7.9871 8.2498 8.2498 8.8860 8.8860 9.1946 9.1946 9.9612 9.9612 10.4536 10.4536 11.4711 11.4711 13.8188 13.8188 18.4998 18.4998 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2148 4.2148 7.0078 7.0078 7.9999 7.9999 8.2573 8.2573 8.8843 8.8843 9.1915 9.1915 9.9505 9.9505 10.4414 10.4414 11.4052 11.4052 13.7441 13.7441 18.5263 18.5263 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3086 -34.3086 -34.2941 -34.2941 -33.6777 -33.6777 -33.6663 -33.6663 -4.3577 -4.3577 -4.3551 -4.3551 -3.9015 -3.9015 -3.8972 -3.8972 -3.8911 -3.8911 4.2148 4.2148 7.0078 7.0078 7.9999 7.9999 8.2573 8.2573 8.8843 8.8843 9.1915 9.1915 9.9505 9.9505 10.4414 10.4414 11.4052 11.4052 13.7441 13.7441 18.5263 18.5263 k = 0.6184-0.0836 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3091 -34.3091 -34.2936 -34.2936 -33.6780 -33.6780 -33.6660 -33.6660 -4.3576 -4.3576 -4.3553 -4.3553 -3.9015 -3.9015 -3.8976 -3.8976 -3.8909 -3.8909 4.1882 4.1882 7.1106 7.1106 8.0182 8.0182 8.2729 8.2729 8.8816 8.8816 9.1894 9.1894 9.9241 9.9241 10.4370 10.4370 11.2982 11.2982 13.6167 13.6167 18.5661 18.5661 k = 0.6118-0.0950 0.4082 ( 6555 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3096 -34.3096 -34.2932 -34.2932 -33.6782 -33.6782 -33.6657 -33.6657 -4.3576 -4.3576 -4.3555 -4.3555 -3.9016 -3.9016 -3.8980 -3.8980 -3.8908 -3.8908 4.1610 4.1610 7.2169 7.2169 8.0369 8.0369 8.2881 8.2881 8.8825 8.8825 9.1863 9.1863 9.8988 9.8988 10.4316 10.4316 11.1929 11.1929 13.4867 13.4867 18.6023 18.6023 k = 0.6053-0.1064 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3101 -34.3101 -34.2927 -34.2927 -33.6784 -33.6784 -33.6655 -33.6655 -4.3576 -4.3576 -4.3557 -4.3557 -3.9016 -3.9016 -3.8984 -3.8984 -3.8907 -3.8907 4.1335 4.1335 7.3258 7.3258 8.0559 8.0559 8.3031 8.3031 8.8877 8.8877 9.1823 9.1823 9.8750 9.8750 10.4246 10.4246 11.0895 11.0895 13.3550 13.3550 18.6348 18.6348 k = 0.5987-0.1177 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3106 -34.3106 -34.2922 -34.2922 -33.6787 -33.6787 -33.6652 -33.6652 -4.3576 -4.3576 -4.3559 -4.3559 -3.9017 -3.9017 -3.8987 -3.8987 -3.8905 -3.8905 4.1063 4.1063 7.4360 7.4360 8.0753 8.0753 8.3179 8.3179 8.8974 8.8974 9.1773 9.1773 9.8530 9.8530 10.4151 10.4151 10.9882 10.9882 13.2228 13.2228 18.6635 18.6635 k = 0.5921-0.1291 0.4082 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3111 -34.3111 -34.2918 -34.2918 -33.6789 -33.6789 -33.6649 -33.6649 -4.3576 -4.3576 -4.3561 -4.3561 -3.9017 -3.9017 -3.8991 -3.8991 -3.8904 -3.8904 4.0796 4.0796 7.5461 7.5461 8.0953 8.0953 8.3331 8.3331 8.9119 8.9119 9.1715 9.1715 9.8328 9.8328 10.4025 10.4025 10.8890 10.8890 13.0911 13.0911 18.6886 18.6886 k = 0.5855-0.1405 0.4082 ( 6557 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3115 -34.3115 -34.2913 -34.2913 -33.6792 -33.6792 -33.6647 -33.6647 -4.3576 -4.3576 -4.3563 -4.3563 -3.9018 -3.9018 -3.8994 -3.8994 -3.8903 -3.8903 4.0538 4.0538 7.6541 7.6541 8.1161 8.1161 8.3497 8.3497 8.9311 8.9311 9.1652 9.1652 9.8146 9.8146 10.3860 10.3860 10.7923 10.7923 12.9609 12.9609 18.7106 18.7106 k = 0.5789-0.1519 0.4082 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3119 -34.3119 -34.2909 -34.2909 -33.6794 -33.6794 -33.6645 -33.6645 -4.3577 -4.3577 -4.3565 -4.3565 -3.9018 -3.9018 -3.8998 -3.8998 -3.8902 -3.8902 4.0291 4.0291 7.7572 7.7572 8.1382 8.1382 8.3693 8.3693 8.9548 8.9548 9.1589 9.1589 9.7983 9.7983 10.3647 10.3647 10.6985 10.6985 12.8337 12.8337 18.7297 18.7297 k = 0.5724-0.1633 0.4082 ( 6557 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3123 -34.3123 -34.2905 -34.2905 -33.6796 -33.6796 -33.6642 -33.6642 -4.3577 -4.3577 -4.3567 -4.3567 -3.9019 -3.9019 -3.9001 -3.9001 -3.8901 -3.8901 4.0057 4.0057 7.8512 7.8512 8.1621 8.1621 8.3951 8.3951 8.9824 8.9824 9.1535 9.1535 9.7838 9.7838 10.3376 10.3376 10.6080 10.6080 12.7105 12.7105 18.7462 18.7462 k = 0.5658-0.1747 0.4082 ( 6561 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3127 -34.3127 -34.2902 -34.2902 -33.6798 -33.6798 -33.6640 -33.6640 -4.3577 -4.3577 -4.3568 -4.3568 -3.9020 -3.9020 -3.9003 -3.9003 -3.8900 -3.8900 3.9839 3.9839 7.9312 7.9312 8.1877 8.1877 8.4312 8.4312 9.0127 9.0127 9.1503 9.1503 9.7709 9.7709 10.3032 10.3032 10.5217 10.5217 12.5926 12.5926 18.7605 18.7605 k = 0.5592-0.1861 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3130 -34.3130 -34.2898 -34.2898 -33.6800 -33.6800 -33.6638 -33.6638 -4.3578 -4.3578 -4.3570 -4.3570 -3.9021 -3.9021 -3.9006 -3.9006 -3.8899 -3.8899 3.9638 3.9638 7.9933 7.9933 8.2134 8.2134 8.4824 8.4824 9.0433 9.0433 9.1523 9.1523 9.7594 9.7594 10.2605 10.2605 10.4403 10.4403 12.4816 12.4816 18.7728 18.7728 k = 0.5526-0.1975 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3133 -34.3133 -34.2895 -34.2895 -33.6802 -33.6802 -33.6637 -33.6637 -4.3579 -4.3579 -4.3571 -4.3571 -3.9022 -3.9022 -3.9008 -3.9008 -3.8898 -3.8898 3.9454 3.9454 8.0376 8.0376 8.2364 8.2364 8.5498 8.5498 9.0700 9.0700 9.1645 9.1645 9.7488 9.7488 10.2087 10.2087 10.3643 10.3643 12.3786 12.3786 18.7834 18.7834 k = 0.5461-0.2089 0.4082 ( 6551 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3136 -34.3136 -34.2892 -34.2892 -33.6804 -33.6804 -33.6635 -33.6635 -4.3579 -4.3579 -4.3571 -4.3571 -3.9023 -3.9023 -3.9009 -3.9009 -3.8897 -3.8897 3.9290 3.9290 8.0678 8.0678 8.2551 8.2551 8.6293 8.6293 9.0899 9.0899 9.1913 9.1913 9.7387 9.7387 10.1488 10.1488 10.2928 10.2928 12.2849 12.2849 18.7923 18.7923 k = 0.5395-0.2203 0.4082 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3138 -34.3138 -34.2890 -34.2890 -33.6805 -33.6805 -33.6634 -33.6634 -4.3580 -4.3580 -4.3572 -4.3572 -3.9024 -3.9024 -3.9011 -3.9011 -3.8897 -3.8897 3.9146 3.9146 8.0883 8.0883 8.2694 8.2694 8.7124 8.7124 9.1081 9.1081 9.2304 9.2304 9.7283 9.7283 10.0837 10.0837 10.2238 10.2238 12.2018 12.2018 18.7999 18.7999 k = 0.5329-0.2317 0.4082 ( 6565 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3140 -34.3140 -34.2888 -34.2888 -33.6806 -33.6806 -33.6633 -33.6633 -4.3581 -4.3581 -4.3572 -4.3572 -3.9025 -3.9025 -3.9012 -3.9012 -3.8896 -3.8896 3.9023 3.9023 8.1025 8.1025 8.2804 8.2804 8.7890 8.7890 9.1342 9.1342 9.2766 9.2766 9.7163 9.7163 10.0174 10.0174 10.1552 10.1552 12.1302 12.1302 18.8062 18.8062 k = 0.5263-0.2431 0.4082 ( 6559 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3142 -34.3142 -34.2886 -34.2886 -33.6807 -33.6807 -33.6632 -33.6632 -4.3581 -4.3581 -4.3573 -4.3573 -3.9026 -3.9026 -3.9013 -3.9013 -3.8896 -3.8896 3.8921 3.8921 8.1123 8.1123 8.2888 8.2888 8.8493 8.8493 9.1766 9.1766 9.3264 9.3264 9.7001 9.7001 9.9544 9.9544 10.0866 10.0866 12.0709 12.0709 18.8112 18.8112 k = 0.5197-0.2545 0.4082 ( 6543 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3143 -34.3143 -34.2884 -34.2884 -33.6808 -33.6808 -33.6631 -33.6631 -4.3582 -4.3582 -4.3573 -4.3573 -3.9027 -3.9027 -3.9013 -3.9013 -3.8896 -3.8896 3.8842 3.8842 8.1190 8.1190 8.2950 8.2950 8.8884 8.8884 9.2374 9.2374 9.3769 9.3769 9.6759 9.6759 9.9002 9.9002 10.0196 10.0196 12.0243 12.0243 18.8151 18.8151 k = 0.5132-0.2659 0.4082 ( 6530 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2884 -34.2884 -33.6809 -33.6809 -33.6630 -33.6630 -4.3582 -4.3582 -4.3573 -4.3573 -3.9027 -3.9027 -3.9013 -3.9013 -3.8895 -3.8895 3.8785 3.8785 8.1233 8.1233 8.2994 8.2994 8.9100 8.9100 9.3085 9.3085 9.4250 9.4250 9.6391 9.6391 9.8607 9.8607 9.9594 9.9594 11.9910 11.9910 18.8178 18.8178 k = 0.5066-0.2773 0.4082 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3144 -34.3144 -34.2883 -34.2883 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9014 -3.9014 -3.8895 -3.8895 3.8751 3.8751 8.1258 8.1258 8.3020 8.3020 8.9202 8.9202 9.3734 9.3734 9.4678 9.4678 9.5908 9.5908 9.8386 9.8386 9.9147 9.9147 11.9709 11.9709 18.8194 18.8194 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -80.3080 -80.3080 -47.1812 -47.1812 -34.3145 -34.3145 -34.2883 -34.2883 -33.6809 -33.6809 -33.6630 -33.6630 -4.3583 -4.3583 -4.3573 -4.3573 -3.9028 -3.9028 -3.9014 -3.9014 -3.8895 -3.8895 3.8739 3.8739 8.1265 8.1265 8.3029 8.3029 8.9232 8.9232 9.4024 9.4024 9.4959 9.4959 9.5555 9.5555 9.8318 9.8318 9.8976 9.8976 11.9642 11.9642 18.8200 18.8200 Writing output data file Li2GaIr.save init_run : 0.32s CPU 0.45s WALL ( 1 calls) electrons : 142.42s CPU 144.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 142.41s CPU 144.30s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 350 calls) cegterg : 124.54s CPU 125.75s WALL ( 408 calls) Called by sum_band: Called by *egterg: h_psi : 92.87s CPU 94.07s WALL ( 6344 calls) s_psi : 3.84s CPU 3.89s WALL ( 6344 calls) g_psi : 0.22s CPU 0.25s WALL ( 5586 calls) cdiaghg : 28.59s CPU 28.72s WALL ( 5936 calls) cegterg:over : 4.70s CPU 4.76s WALL ( 5586 calls) cegterg:upda : 4.29s CPU 4.38s WALL ( 5586 calls) cegterg:last : 2.65s CPU 2.63s WALL ( 1066 calls) cdiaghg:chol : 1.70s CPU 1.65s WALL ( 5936 calls) cdiaghg:inve : 0.80s CPU 0.78s WALL ( 5936 calls) cdiaghg:para : 1.69s CPU 1.82s WALL ( 11872 calls) Called by h_psi: h_psi:vloc : 85.94s CPU 87.25s WALL ( 6344 calls) h_psi:vnl : 6.69s CPU 6.57s WALL ( 6344 calls) add_vuspsi : 3.28s CPU 3.26s WALL ( 6344 calls) General routines calbec : 3.41s CPU 3.29s WALL ( 6344 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 81.58s CPU 82.89s WALL ( 563748 calls) davcio : 0.20s CPU 0.30s WALL ( 700 calls) Parallel routines fft_scatter : 25.98s CPU 25.83s WALL ( 563763 calls) PWSCF : 2m41.53s CPU 2m57.03s WALL This run was terminated on: 18:35: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=