Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:37:28 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: ./MnAlCu2.save/ file Cu.rel-pbe-dn-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 38 38 11 952 952 143 Max 39 39 12 956 956 147 Sum 1393 1393 397 34333 34333 5209 bravais-lattice index = 14 lattice parameter (alat) = 7.9506 a.u. unit-cell volume = 355.3754 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.950616 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Mn 15.00 54.93800 Mn( 1.00) Al 3.00 26.98150 Al( 1.00) Cu 11.00 63.54600 Cu( 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= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028249 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028249 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028249 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028249 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028249 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028249 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028249 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028249 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028249 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028249 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028249 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028249 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028249 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028249 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028249 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028249 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028249 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028249 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028249 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028249 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028249 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028249 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028249 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028249 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028249 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028249 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028249 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028249 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028249 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028249 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028249 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028249 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028249 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028249 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028249 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028249 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028249 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028249 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028249 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028249 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028249 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028249 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028249 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028249 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028249 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028249 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028249 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028249 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028249 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028249 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028249 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028249 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028249 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028249 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028249 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028249 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028249 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028249 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028249 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028249 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028249 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028249 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028249 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028249 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028249 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028249 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028249 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028249 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028249 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028249 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028249 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028249 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028249 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028249 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028249 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028249 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028249 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028249 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028249 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028249 k( 82) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028249 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028249 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028249 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028249 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028249 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028249 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028249 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028249 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028249 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028249 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028249 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028249 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028249 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028249 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028249 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028249 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028249 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028249 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028249 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028249 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028249 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028249 k( 104) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028249 k( 105) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028249 k( 106) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028249 k( 107) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028249 k( 108) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028249 k( 109) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028249 k( 110) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028249 k( 111) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028249 k( 112) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028249 k( 113) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028249 k( 114) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028249 k( 115) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028249 k( 116) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028249 k( 117) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028249 k( 118) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028249 k( 119) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028249 k( 120) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028249 k( 121) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028249 k( 122) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028249 k( 123) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028249 k( 124) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028249 k( 125) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028249 k( 126) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028249 k( 127) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028249 k( 128) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028249 k( 129) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028249 k( 130) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028249 k( 131) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028249 k( 132) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028249 k( 133) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028249 k( 134) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028249 k( 135) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028249 k( 136) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028249 k( 137) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028249 k( 138) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028249 k( 139) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028249 k( 140) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028249 k( 141) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028249 k( 142) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028249 k( 143) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028249 k( 144) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028249 k( 145) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028249 k( 146) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028249 k( 147) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028249 k( 148) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028249 k( 149) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028249 k( 150) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028249 k( 151) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028249 k( 152) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028249 k( 153) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028249 k( 154) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028249 k( 155) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028249 k( 156) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028249 k( 157) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028249 k( 158) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028249 k( 159) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 162) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028249 k( 163) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028249 k( 164) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028249 k( 165) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028249 k( 166) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028249 k( 167) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028249 k( 168) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028249 k( 169) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028249 k( 170) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028249 k( 171) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028249 k( 172) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028249 k( 173) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028249 k( 174) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028249 k( 175) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028249 k( 176) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028249 k( 177) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028249 k( 178) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028249 k( 179) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028249 k( 180) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028249 k( 181) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028249 k( 182) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028249 k( 183) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028249 k( 184) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028249 k( 185) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028249 k( 186) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028249 k( 187) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028249 k( 188) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028249 k( 189) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028249 k( 190) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028249 k( 191) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028249 k( 192) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028249 k( 193) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028249 k( 194) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028249 k( 195) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028249 k( 196) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028249 k( 197) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028249 k( 198) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028249 k( 199) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028249 k( 200) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028249 k( 201) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028249 k( 202) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028249 k( 203) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028249 k( 204) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028249 k( 205) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028249 k( 206) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028249 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 208) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 209) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028249 k( 210) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028249 k( 211) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028249 k( 212) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028249 k( 213) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028249 k( 214) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028249 k( 215) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028249 k( 216) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028249 k( 217) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028249 k( 218) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028249 k( 219) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028249 k( 220) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028249 k( 221) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028249 k( 222) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028249 k( 223) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028249 k( 224) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028249 k( 225) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028249 k( 226) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028249 k( 227) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028249 k( 228) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028249 k( 229) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028249 k( 230) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028249 k( 231) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028249 k( 232) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028249 k( 233) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028249 k( 234) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028249 k( 235) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028249 k( 236) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028249 k( 237) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028249 k( 238) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028249 k( 239) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028249 k( 240) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028249 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028249 k( 242) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028249 k( 243) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028249 k( 244) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028249 k( 245) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028249 k( 246) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028249 k( 247) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028249 k( 248) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028249 k( 249) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028249 k( 250) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028249 k( 251) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028249 k( 252) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028249 k( 253) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028249 k( 254) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028249 k( 255) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028249 k( 256) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028249 k( 257) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028249 k( 258) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028249 k( 259) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028249 k( 260) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028249 k( 261) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028249 k( 262) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028249 k( 263) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028249 k( 264) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028249 k( 265) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028249 k( 266) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028249 k( 267) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028249 k( 268) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028249 k( 269) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028249 k( 270) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028249 k( 271) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028249 k( 272) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028249 k( 273) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028249 k( 274) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028249 k( 275) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028249 k( 276) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028249 k( 277) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028249 k( 278) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028249 k( 279) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028249 k( 280) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028249 k( 281) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028249 k( 282) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028249 k( 283) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028249 k( 284) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028249 k( 285) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028249 k( 286) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028249 k( 287) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028249 k( 288) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028249 k( 289) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028249 k( 290) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028249 k( 291) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028249 k( 292) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028249 k( 293) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028249 k( 294) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028249 k( 295) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028249 k( 296) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028249 k( 297) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028249 k( 298) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028249 k( 299) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028249 k( 300) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 301) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 302) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028249 k( 303) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028249 k( 304) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028249 k( 305) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028249 k( 306) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028249 k( 307) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028249 k( 308) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028249 k( 309) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028249 k( 310) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028249 k( 311) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028249 k( 312) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028249 k( 313) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028249 k( 314) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028249 k( 315) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028249 k( 316) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028249 k( 317) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028249 k( 318) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028249 k( 319) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028249 k( 320) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028249 k( 321) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028249 k( 322) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028249 k( 323) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028249 k( 324) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028249 k( 325) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028249 k( 326) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028249 k( 327) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028249 k( 328) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028249 k( 329) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028249 k( 330) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028249 k( 331) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028249 k( 332) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028249 k( 333) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028249 k( 334) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028249 k( 335) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028249 k( 336) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028249 k( 337) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028249 k( 338) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028249 k( 339) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028249 k( 340) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028249 k( 341) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028249 k( 342) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028249 k( 343) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028249 k( 344) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028249 k( 345) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028249 k( 346) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028249 k( 347) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028249 k( 348) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028249 k( 349) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028249 k( 350) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028249 k( 351) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028249 k( 352) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028249 k( 353) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028249 k( 354) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028249 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028249 k( 4) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028249 k( 5) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0028249 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028249 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028249 k( 8) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0028249 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028249 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028249 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028249 k( 12) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028249 k( 13) = ( 0.1132076 0.0000000 0.1132075), wk = 0.0028249 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028249 k( 15) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0028249 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028249 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028249 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028249 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028249 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028249 k( 21) = ( 0.1886792 -0.0000000 0.1886792), wk = 0.0028249 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028249 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028249 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028249 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028249 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028249 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028249 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028249 k( 29) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0028249 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028249 k( 31) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028249 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028249 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028249 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028249 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028249 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028249 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028249 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028249 k( 39) = ( 0.3584906 0.0000000 0.3584906), wk = 0.0028249 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028249 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028249 k( 42) = ( 0.3867925 -0.0000000 0.3867924), wk = 0.0028249 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028249 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028249 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028249 k( 46) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028249 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028249 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028249 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028249 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028249 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028249 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028249 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028249 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028249 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028249 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028249 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028249 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028249 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028249 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028249 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028249 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028249 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028249 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028249 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028249 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028249 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028249 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028249 k( 71) = ( 0.5000000 0.1481481 0.6481481), wk = 0.0028249 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028249 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028249 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028249 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028249 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028249 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028249 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028249 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028249 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028249 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028249 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028249 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028249 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028249 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028249 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028249 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028249 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028249 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028249 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028249 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028249 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028249 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028249 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028249 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028249 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028249 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028249 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028249 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028249 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028249 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028249 k( 104) = ( 0.3684211 0.3684211 0.7368421), wk = 0.0028249 k( 105) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028249 k( 106) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028249 k( 107) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028249 k( 108) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028249 k( 109) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028249 k( 110) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028249 k( 111) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028249 k( 112) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028249 k( 113) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028249 k( 114) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028249 k( 115) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028249 k( 116) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028249 k( 117) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028249 k( 118) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028249 k( 119) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028249 k( 120) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028249 k( 121) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028249 k( 122) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 123) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028249 k( 124) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028249 k( 125) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028249 k( 126) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028249 k( 127) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028249 k( 128) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028249 k( 129) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028249 k( 130) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028249 k( 131) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028249 k( 132) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028249 k( 133) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028249 k( 134) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028249 k( 135) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028249 k( 136) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028249 k( 137) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028249 k( 138) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028249 k( 139) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028249 k( 140) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028249 k( 141) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028249 k( 142) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028249 k( 143) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028249 k( 144) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028249 k( 145) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028249 k( 146) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028249 k( 147) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028249 k( 148) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028249 k( 149) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028249 k( 150) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028249 k( 151) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028249 k( 152) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028249 k( 153) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028249 k( 154) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028249 k( 155) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028249 k( 156) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028249 k( 157) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028249 k( 158) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028249 k( 159) = ( 0.0065790 0.0065790 0.0131579), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 162) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028249 k( 163) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028249 k( 164) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028249 k( 165) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028249 k( 166) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028249 k( 167) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028249 k( 168) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028249 k( 169) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028249 k( 170) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028249 k( 171) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0028249 k( 172) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028249 k( 173) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028249 k( 174) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028249 k( 175) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028249 k( 176) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028249 k( 177) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028249 k( 178) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028249 k( 179) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028249 k( 180) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028249 k( 181) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028249 k( 182) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028249 k( 183) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028249 k( 184) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 185) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028249 k( 186) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028249 k( 187) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028249 k( 188) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028249 k( 189) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028249 k( 190) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028249 k( 191) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028249 k( 192) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028249 k( 193) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028249 k( 194) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028249 k( 195) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028249 k( 196) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028249 k( 197) = ( 0.3913044 0.3913044 0.3913043), wk = 0.0028249 k( 198) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028249 k( 199) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028249 k( 200) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028249 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028249 k( 202) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028249 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028249 k( 204) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028249 k( 205) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028249 k( 206) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028249 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 209) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028249 k( 210) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028249 k( 211) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028249 k( 212) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028249 k( 213) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028249 k( 214) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028249 k( 215) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028249 k( 216) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028249 k( 217) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028249 k( 218) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028249 k( 219) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028249 k( 220) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028249 k( 221) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028249 k( 222) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028249 k( 223) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028249 k( 224) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028249 k( 225) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028249 k( 226) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028249 k( 227) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028249 k( 228) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028249 k( 229) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028249 k( 230) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028249 k( 231) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028249 k( 232) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028249 k( 233) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028249 k( 234) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028249 k( 235) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028249 k( 236) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028249 k( 237) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028249 k( 238) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028249 k( 239) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028249 k( 240) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028249 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028249 k( 242) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028249 k( 243) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028249 k( 244) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028249 k( 245) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028249 k( 246) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028249 k( 247) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028249 k( 248) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028249 k( 249) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028249 k( 250) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028249 k( 251) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028249 k( 252) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028249 k( 253) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028249 k( 254) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028249 k( 255) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028249 k( 256) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028249 k( 257) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028249 k( 258) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028249 k( 259) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028249 k( 260) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028249 k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 262) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 263) = ( 0.5000000 0.2565789 0.7434210), wk = 0.0028249 k( 264) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028249 k( 265) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028249 k( 266) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028249 k( 267) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028249 k( 268) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028249 k( 269) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028249 k( 270) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028249 k( 271) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028249 k( 272) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028249 k( 273) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028249 k( 274) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028249 k( 275) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028249 k( 276) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028249 k( 277) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028249 k( 278) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028249 k( 279) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028249 k( 280) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028249 k( 281) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028249 k( 282) = ( 0.5000000 0.3815789 0.6184210), wk = 0.0028249 k( 283) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028249 k( 284) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028249 k( 285) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028249 k( 286) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028249 k( 287) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028249 k( 288) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028249 k( 289) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028249 k( 290) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028249 k( 291) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028249 k( 292) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028249 k( 293) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028249 k( 294) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028249 k( 295) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028249 k( 296) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028249 k( 297) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028249 k( 298) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028249 k( 299) = ( 0.5000000 0.4934211 0.5065789), wk = 0.0028249 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 302) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028249 k( 303) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028249 k( 304) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028249 k( 305) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028249 k( 306) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028249 k( 307) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028249 k( 308) = ( 0.4734849 0.4734849 0.5530303), wk = 0.0028249 k( 309) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028249 k( 310) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028249 k( 311) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028249 k( 312) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028249 k( 313) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028249 k( 314) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028249 k( 315) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028249 k( 316) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028249 k( 317) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028249 k( 318) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028249 k( 319) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028249 k( 320) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028249 k( 321) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028249 k( 322) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028249 k( 323) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028249 k( 324) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028249 k( 325) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028249 k( 326) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028249 k( 327) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028249 k( 328) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028249 k( 329) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028249 k( 330) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028249 k( 331) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028249 k( 332) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028249 k( 333) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028249 k( 334) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028249 k( 335) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028249 k( 336) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028249 k( 337) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028249 k( 338) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028249 k( 339) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028249 k( 340) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028249 k( 341) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028249 k( 342) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028249 k( 343) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028249 k( 344) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028249 k( 345) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028249 k( 346) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028249 k( 347) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028249 k( 348) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028249 k( 349) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028249 k( 350) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028249 k( 351) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028249 k( 352) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028249 k( 353) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028249 k( 354) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 Dense grid: 34333 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 254, 48) NL pseudopotentials 0.26 Mb ( 127, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 955) G-vector shells 0.00 Mb ( 303) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 254, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./MnAlCu2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.3 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.4 secs Computing kpt #: 24 total cpu time spent up to now is 11.8 secs Computing kpt #: 25 total cpu time spent up to now is 12.2 secs Computing kpt #: 26 total cpu time spent up to now is 12.6 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.9 secs Computing kpt #: 30 total cpu time spent up to now is 14.3 secs Computing kpt #: 31 total cpu time spent up to now is 14.7 secs Computing kpt #: 32 total cpu time spent up to now is 15.1 secs Computing kpt #: 33 total cpu time spent up to now is 15.6 secs Computing kpt #: 34 total cpu time spent up to now is 16.0 secs Computing kpt #: 35 total cpu time spent up to now is 16.4 secs Computing kpt #: 36 total cpu time spent up to now is 16.8 secs Computing kpt #: 37 total cpu time spent up to now is 17.1 secs Computing kpt #: 38 total cpu time spent up to now is 17.5 secs Computing kpt #: 39 total cpu time spent up to now is 17.9 secs Computing kpt #: 40 total cpu time spent up to now is 18.2 secs Computing kpt #: 41 total cpu time spent up to now is 18.6 secs Computing kpt #: 42 total cpu time spent up to now is 19.0 secs Computing kpt #: 43 total cpu time spent up to now is 19.3 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.0 secs Computing kpt #: 46 total cpu time spent up to now is 20.4 secs Computing kpt #: 47 total cpu time spent up to now is 20.8 secs Computing kpt #: 48 total cpu time spent up to now is 21.1 secs Computing kpt #: 49 total cpu time spent up to now is 21.5 secs Computing kpt #: 50 total cpu time spent up to now is 21.8 secs Computing kpt #: 51 total cpu time spent up to now is 22.2 secs Computing kpt #: 52 total cpu time spent up to now is 22.5 secs Computing kpt #: 53 total cpu time spent up to now is 22.9 secs Computing kpt #: 54 total cpu time spent up to now is 23.2 secs Computing kpt #: 55 total cpu time spent up to now is 23.6 secs Computing kpt #: 56 total cpu time spent up to now is 23.9 secs Computing kpt #: 57 total cpu time spent up to now is 24.3 secs Computing kpt #: 58 total cpu time spent up to now is 24.6 secs Computing kpt #: 59 total cpu time spent up to now is 25.0 secs Computing kpt #: 60 total cpu time spent up to now is 25.4 secs Computing kpt #: 61 total cpu time spent up to now is 25.7 secs Computing kpt #: 62 total cpu time spent up to now is 26.1 secs Computing kpt #: 63 total cpu time spent up to now is 26.5 secs Computing kpt #: 64 total cpu time spent up to now is 26.8 secs Computing kpt #: 65 total cpu time spent up to now is 27.2 secs Computing kpt #: 66 total cpu time spent up to now is 27.6 secs Computing kpt #: 67 total cpu time spent up to now is 28.0 secs Computing kpt #: 68 total cpu time spent up to now is 28.4 secs Computing kpt #: 69 total cpu time spent up to now is 28.7 secs Computing kpt #: 70 total cpu time spent up to now is 29.2 secs Computing kpt #: 71 total cpu time spent up to now is 29.6 secs Computing kpt #: 72 total cpu time spent up to now is 30.0 secs Computing kpt #: 73 total cpu time spent up to now is 30.5 secs Computing kpt #: 74 total cpu time spent up to now is 30.8 secs Computing kpt #: 75 total cpu time spent up to now is 31.2 secs Computing kpt #: 76 total cpu time spent up to now is 31.6 secs Computing kpt #: 77 total cpu time spent up to now is 32.0 secs Computing kpt #: 78 total cpu time spent up to now is 32.4 secs Computing kpt #: 79 total cpu time spent up to now is 32.8 secs Computing kpt #: 80 total cpu time spent up to now is 33.3 secs Computing kpt #: 81 total cpu time spent up to now is 33.7 secs Computing kpt #: 82 total cpu time spent up to now is 34.6 secs Computing kpt #: 83 total cpu time spent up to now is 35.4 secs Computing kpt #: 84 total cpu time spent up to now is 35.9 secs Computing kpt #: 85 total cpu time spent up to now is 36.4 secs Computing kpt #: 86 total cpu time spent up to now is 36.8 secs Computing kpt #: 87 total cpu time spent up to now is 37.2 secs Computing kpt #: 88 total cpu time spent up to now is 37.5 secs Computing kpt #: 89 total cpu time spent up to now is 37.9 secs Computing kpt #: 90 total cpu time spent up to now is 38.2 secs Computing kpt #: 91 total cpu time spent up to now is 38.6 secs Computing kpt #: 92 total cpu time spent up to now is 39.0 secs Computing kpt #: 93 total cpu time spent up to now is 39.3 secs Computing kpt #: 94 total cpu time spent up to now is 39.7 secs Computing kpt #: 95 total cpu time spent up to now is 40.0 secs Computing kpt #: 96 total cpu time spent up to now is 40.4 secs Computing kpt #: 97 total cpu time spent up to now is 40.7 secs Computing kpt #: 98 total cpu time spent up to now is 41.1 secs Computing kpt #: 99 total cpu time spent up to now is 41.7 secs Computing kpt #: 100 total cpu time spent up to now is 42.0 secs Computing kpt #: 101 total cpu time spent up to now is 42.3 secs Computing kpt #: 102 total cpu time spent up to now is 42.7 secs Computing kpt #: 103 total cpu time spent up to now is 43.0 secs Computing kpt #: 104 total cpu time spent up to now is 43.3 secs Computing kpt #: 105 total cpu time spent up to now is 43.7 secs Computing kpt #: 106 total cpu time spent up to now is 44.0 secs Computing kpt #: 107 total cpu time spent up to now is 44.3 secs Computing kpt #: 108 total cpu time spent up to now is 44.6 secs Computing kpt #: 109 total cpu time spent up to now is 44.9 secs Computing kpt #: 110 total cpu time spent up to now is 45.3 secs Computing kpt #: 111 total cpu time spent up to now is 45.6 secs Computing kpt #: 112 total cpu time spent up to now is 45.9 secs Computing kpt #: 113 total cpu time spent up to now is 46.2 secs Computing kpt #: 114 total cpu time spent up to now is 46.5 secs Computing kpt #: 115 total cpu time spent up to now is 46.8 secs Computing kpt #: 116 total cpu time spent up to now is 47.2 secs Computing kpt #: 117 total cpu time spent up to now is 47.5 secs Computing kpt #: 118 total cpu time spent up to now is 47.8 secs Computing kpt #: 119 total cpu time spent up to now is 48.1 secs Computing kpt #: 120 total cpu time spent up to now is 48.4 secs Computing kpt #: 121 total cpu time spent up to now is 48.8 secs Computing kpt #: 122 total cpu time spent up to now is 49.1 secs Computing kpt #: 123 total cpu time spent up to now is 49.4 secs Computing kpt #: 124 total cpu time spent up to now is 49.7 secs Computing kpt #: 125 total cpu time spent up to now is 50.1 secs Computing kpt #: 126 total cpu time spent up to now is 50.4 secs Computing kpt #: 127 total cpu time spent up to now is 50.7 secs Computing kpt #: 128 total cpu time spent up to now is 51.1 secs Computing kpt #: 129 total cpu time spent up to now is 51.4 secs Computing kpt #: 130 total cpu time spent up to now is 51.7 secs Computing kpt #: 131 total cpu time spent up to now is 52.1 secs Computing kpt #: 132 total cpu time spent up to now is 52.4 secs Computing kpt #: 133 total cpu time spent up to now is 52.8 secs Computing kpt #: 134 total cpu time spent up to now is 53.1 secs Computing kpt #: 135 total cpu time spent up to now is 53.5 secs Computing kpt #: 136 total cpu time spent up to now is 53.9 secs Computing kpt #: 137 total cpu time spent up to now is 54.3 secs Computing kpt #: 138 total cpu time spent up to now is 54.7 secs Computing kpt #: 139 total cpu time spent up to now is 55.1 secs Computing kpt #: 140 total cpu time spent up to now is 55.5 secs Computing kpt #: 141 total cpu time spent up to now is 56.0 secs Computing kpt #: 142 total cpu time spent up to now is 56.4 secs Computing kpt #: 143 total cpu time spent up to now is 56.8 secs Computing kpt #: 144 total cpu time spent up to now is 57.2 secs Computing kpt #: 145 total cpu time spent up to now is 57.7 secs Computing kpt #: 146 total cpu time spent up to now is 58.1 secs Computing kpt #: 147 total cpu time spent up to now is 58.6 secs Computing kpt #: 148 total cpu time spent up to now is 59.0 secs Computing kpt #: 149 total cpu time spent up to now is 59.5 secs Computing kpt #: 150 total cpu time spent up to now is 59.9 secs Computing kpt #: 151 total cpu time spent up to now is 60.3 secs Computing kpt #: 152 total cpu time spent up to now is 60.7 secs Computing kpt #: 153 total cpu time spent up to now is 61.1 secs Computing kpt #: 154 total cpu time spent up to now is 61.5 secs Computing kpt #: 155 total cpu time spent up to now is 62.0 secs Computing kpt #: 156 total cpu time spent up to now is 62.4 secs Computing kpt #: 157 total cpu time spent up to now is 62.9 secs Computing kpt #: 158 total cpu time spent up to now is 63.4 secs Computing kpt #: 159 total cpu time spent up to now is 64.2 secs Computing kpt #: 160 total cpu time spent up to now is 64.9 secs Computing kpt #: 161 total cpu time spent up to now is 65.4 secs Computing kpt #: 162 total cpu time spent up to now is 65.9 secs Computing kpt #: 163 total cpu time spent up to now is 66.4 secs Computing kpt #: 164 total cpu time spent up to now is 66.8 secs Computing kpt #: 165 total cpu time spent up to now is 67.2 secs Computing kpt #: 166 total cpu time spent up to now is 67.6 secs Computing kpt #: 167 total cpu time spent up to now is 68.1 secs Computing kpt #: 168 total cpu time spent up to now is 68.5 secs Computing kpt #: 169 total cpu time spent up to now is 68.9 secs Computing kpt #: 170 total cpu time spent up to now is 69.2 secs Computing kpt #: 171 total cpu time spent up to now is 69.6 secs Computing kpt #: 172 total cpu time spent up to now is 70.0 secs Computing kpt #: 173 total cpu time spent up to now is 70.4 secs Computing kpt #: 174 total cpu time spent up to now is 70.8 secs Computing kpt #: 175 total cpu time spent up to now is 71.2 secs Computing kpt #: 176 total cpu time spent up to now is 71.5 secs Computing kpt #: 177 total cpu time spent up to now is 71.9 secs Computing kpt #: 178 total cpu time spent up to now is 72.3 secs Computing kpt #: 179 total cpu time spent up to now is 72.7 secs Computing kpt #: 180 total cpu time spent up to now is 73.0 secs Computing kpt #: 181 total cpu time spent up to now is 73.4 secs Computing kpt #: 182 total cpu time spent up to now is 73.8 secs Computing kpt #: 183 total cpu time spent up to now is 74.2 secs Computing kpt #: 184 total cpu time spent up to now is 74.5 secs Computing kpt #: 185 total cpu time spent up to now is 74.9 secs Computing kpt #: 186 total cpu time spent up to now is 75.3 secs Computing kpt #: 187 total cpu time spent up to now is 75.6 secs Computing kpt #: 188 total cpu time spent up to now is 76.0 secs Computing kpt #: 189 total cpu time spent up to now is 77.2 secs Computing kpt #: 190 total cpu time spent up to now is 77.6 secs Computing kpt #: 191 total cpu time spent up to now is 77.9 secs Computing kpt #: 192 total cpu time spent up to now is 78.3 secs Computing kpt #: 193 total cpu time spent up to now is 78.7 secs Computing kpt #: 194 total cpu time spent up to now is 79.1 secs Computing kpt #: 195 total cpu time spent up to now is 79.4 secs Computing kpt #: 196 total cpu time spent up to now is 79.8 secs Computing kpt #: 197 total cpu time spent up to now is 80.2 secs Computing kpt #: 198 total cpu time spent up to now is 80.6 secs Computing kpt #: 199 total cpu time spent up to now is 81.0 secs Computing kpt #: 200 total cpu time spent up to now is 81.4 secs Computing kpt #: 201 total cpu time spent up to now is 81.7 secs Computing kpt #: 202 total cpu time spent up to now is 82.1 secs Computing kpt #: 203 total cpu time spent up to now is 82.5 secs Computing kpt #: 204 total cpu time spent up to now is 82.9 secs Computing kpt #: 205 total cpu time spent up to now is 83.3 secs Computing kpt #: 206 total cpu time spent up to now is 83.6 secs Computing kpt #: 207 total cpu time spent up to now is 84.0 secs Computing kpt #: 208 total cpu time spent up to now is 84.4 secs Computing kpt #: 209 total cpu time spent up to now is 84.8 secs Computing kpt #: 210 total cpu time spent up to now is 85.1 secs Computing kpt #: 211 total cpu time spent up to now is 85.5 secs Computing kpt #: 212 total cpu time spent up to now is 85.9 secs Computing kpt #: 213 total cpu time spent up to now is 86.3 secs Computing kpt #: 214 total cpu time spent up to now is 86.6 secs Computing kpt #: 215 total cpu time spent up to now is 87.0 secs Computing kpt #: 216 total cpu time spent up to now is 87.4 secs Computing kpt #: 217 total cpu time spent up to now is 87.8 secs Computing kpt #: 218 total cpu time spent up to now is 88.1 secs Computing kpt #: 219 total cpu time spent up to now is 88.5 secs Computing kpt #: 220 total cpu time spent up to now is 88.8 secs Computing kpt #: 221 total cpu time spent up to now is 89.2 secs Computing kpt #: 222 total cpu time spent up to now is 89.5 secs Computing kpt #: 223 total cpu time spent up to now is 89.8 secs Computing kpt #: 224 total cpu time spent up to now is 90.2 secs Computing kpt #: 225 total cpu time spent up to now is 90.5 secs Computing kpt #: 226 total cpu time spent up to now is 90.8 secs Computing kpt #: 227 total cpu time spent up to now is 91.2 secs Computing kpt #: 228 total cpu time spent up to now is 91.5 secs Computing kpt #: 229 total cpu time spent up to now is 91.8 secs Computing kpt #: 230 total cpu time spent up to now is 92.2 secs Computing kpt #: 231 total cpu time spent up to now is 92.5 secs Computing kpt #: 232 total cpu time spent up to now is 92.8 secs Computing kpt #: 233 total cpu time spent up to now is 93.1 secs Computing kpt #: 234 total cpu time spent up to now is 93.5 secs Computing kpt #: 235 total cpu time spent up to now is 93.8 secs Computing kpt #: 236 total cpu time spent up to now is 94.1 secs Computing kpt #: 237 total cpu time spent up to now is 94.4 secs Computing kpt #: 238 total cpu time spent up to now is 94.8 secs Computing kpt #: 239 total cpu time spent up to now is 95.1 secs Computing kpt #: 240 total cpu time spent up to now is 95.4 secs Computing kpt #: 241 total cpu time spent up to now is 95.7 secs Computing kpt #: 242 total cpu time spent up to now is 96.1 secs Computing kpt #: 243 total cpu time spent up to now is 96.4 secs Computing kpt #: 244 total cpu time spent up to now is 96.7 secs Computing kpt #: 245 total cpu time spent up to now is 97.1 secs Computing kpt #: 246 total cpu time spent up to now is 97.4 secs Computing kpt #: 247 total cpu time spent up to now is 97.8 secs Computing kpt #: 248 total cpu time spent up to now is 98.1 secs Computing kpt #: 249 total cpu time spent up to now is 98.5 secs Computing kpt #: 250 total cpu time spent up to now is 98.8 secs Computing kpt #: 251 total cpu time spent up to now is 99.2 secs Computing kpt #: 252 total cpu time spent up to now is 99.5 secs Computing kpt #: 253 total cpu time spent up to now is 99.9 secs Computing kpt #: 254 total cpu time spent up to now is 100.2 secs Computing kpt #: 255 total cpu time spent up to now is 100.6 secs Computing kpt #: 256 total cpu time spent up to now is 100.9 secs Computing kpt #: 257 total cpu time spent up to now is 101.3 secs Computing kpt #: 258 total cpu time spent up to now is 101.7 secs Computing kpt #: 259 total cpu time spent up to now is 102.2 secs Computing kpt #: 260 total cpu time spent up to now is 102.7 secs Computing kpt #: 261 total cpu time spent up to now is 103.5 secs Computing kpt #: 262 total cpu time spent up to now is 104.3 secs Computing kpt #: 263 total cpu time spent up to now is 105.0 secs Computing kpt #: 264 total cpu time spent up to now is 105.5 secs Computing kpt #: 265 total cpu time spent up to now is 106.0 secs Computing kpt #: 266 total cpu time spent up to now is 106.6 secs Computing kpt #: 267 total cpu time spent up to now is 107.1 secs Computing kpt #: 268 total cpu time spent up to now is 107.5 secs Computing kpt #: 269 total cpu time spent up to now is 108.0 secs Computing kpt #: 270 total cpu time spent up to now is 108.4 secs Computing kpt #: 271 total cpu time spent up to now is 108.9 secs Computing kpt #: 272 total cpu time spent up to now is 109.3 secs Computing kpt #: 273 total cpu time spent up to now is 109.7 secs Computing kpt #: 274 total cpu time spent up to now is 110.1 secs Computing kpt #: 275 total cpu time spent up to now is 110.5 secs Computing kpt #: 276 total cpu time spent up to now is 110.9 secs Computing kpt #: 277 total cpu time spent up to now is 111.3 secs Computing kpt #: 278 total cpu time spent up to now is 111.6 secs Computing kpt #: 279 total cpu time spent up to now is 112.0 secs Computing kpt #: 280 total cpu time spent up to now is 112.4 secs Computing kpt #: 281 total cpu time spent up to now is 112.8 secs Computing kpt #: 282 total cpu time spent up to now is 113.1 secs Computing kpt #: 283 total cpu time spent up to now is 113.5 secs Computing kpt #: 284 total cpu time spent up to now is 113.9 secs Computing kpt #: 285 total cpu time spent up to now is 114.2 secs Computing kpt #: 286 total cpu time spent up to now is 114.6 secs Computing kpt #: 287 total cpu time spent up to now is 115.0 secs Computing kpt #: 288 total cpu time spent up to now is 115.4 secs Computing kpt #: 289 total cpu time spent up to now is 115.7 secs Computing kpt #: 290 total cpu time spent up to now is 116.1 secs Computing kpt #: 291 total cpu time spent up to now is 116.5 secs Computing kpt #: 292 total cpu time spent up to now is 116.8 secs Computing kpt #: 293 total cpu time spent up to now is 117.2 secs Computing kpt #: 294 total cpu time spent up to now is 117.6 secs Computing kpt #: 295 total cpu time spent up to now is 118.0 secs Computing kpt #: 296 total cpu time spent up to now is 118.3 secs Computing kpt #: 297 total cpu time spent up to now is 118.7 secs Computing kpt #: 298 total cpu time spent up to now is 119.1 secs Computing kpt #: 299 total cpu time spent up to now is 119.5 secs Computing kpt #: 300 total cpu time spent up to now is 119.8 secs Computing kpt #: 301 total cpu time spent up to now is 120.2 secs Computing kpt #: 302 total cpu time spent up to now is 120.6 secs Computing kpt #: 303 total cpu time spent up to now is 121.0 secs Computing kpt #: 304 total cpu time spent up to now is 121.3 secs Computing kpt #: 305 total cpu time spent up to now is 121.7 secs Computing kpt #: 306 total cpu time spent up to now is 122.1 secs Computing kpt #: 307 total cpu time spent up to now is 122.4 secs Computing kpt #: 308 total cpu time spent up to now is 122.8 secs Computing kpt #: 309 total cpu time spent up to now is 123.2 secs Computing kpt #: 310 total cpu time spent up to now is 123.6 secs Computing kpt #: 311 total cpu time spent up to now is 123.9 secs Computing kpt #: 312 total cpu time spent up to now is 124.3 secs Computing kpt #: 313 total cpu time spent up to now is 124.6 secs Computing kpt #: 314 total cpu time spent up to now is 125.0 secs Computing kpt #: 315 total cpu time spent up to now is 125.3 secs Computing kpt #: 316 total cpu time spent up to now is 125.6 secs Computing kpt #: 317 total cpu time spent up to now is 126.0 secs Computing kpt #: 318 total cpu time spent up to now is 126.3 secs Computing kpt #: 319 total cpu time spent up to now is 126.6 secs Computing kpt #: 320 total cpu time spent up to now is 127.0 secs Computing kpt #: 321 total cpu time spent up to now is 127.3 secs Computing kpt #: 322 total cpu time spent up to now is 127.6 secs Computing kpt #: 323 total cpu time spent up to now is 128.0 secs Computing kpt #: 324 total cpu time spent up to now is 128.3 secs Computing kpt #: 325 total cpu time spent up to now is 128.6 secs Computing kpt #: 326 total cpu time spent up to now is 128.9 secs Computing kpt #: 327 total cpu time spent up to now is 129.2 secs Computing kpt #: 328 total cpu time spent up to now is 129.6 secs Computing kpt #: 329 total cpu time spent up to now is 129.9 secs Computing kpt #: 330 total cpu time spent up to now is 130.2 secs Computing kpt #: 331 total cpu time spent up to now is 130.5 secs Computing kpt #: 332 total cpu time spent up to now is 130.9 secs Computing kpt #: 333 total cpu time spent up to now is 131.2 secs Computing kpt #: 334 total cpu time spent up to now is 131.5 secs Computing kpt #: 335 total cpu time spent up to now is 131.9 secs Computing kpt #: 336 total cpu time spent up to now is 132.2 secs Computing kpt #: 337 total cpu time spent up to now is 132.5 secs Computing kpt #: 338 total cpu time spent up to now is 132.9 secs Computing kpt #: 339 total cpu time spent up to now is 133.2 secs Computing kpt #: 340 total cpu time spent up to now is 133.6 secs Computing kpt #: 341 total cpu time spent up to now is 133.9 secs Computing kpt #: 342 total cpu time spent up to now is 134.3 secs Computing kpt #: 343 total cpu time spent up to now is 134.6 secs Computing kpt #: 344 total cpu time spent up to now is 135.0 secs Computing kpt #: 345 total cpu time spent up to now is 135.4 secs Computing kpt #: 346 total cpu time spent up to now is 135.7 secs Computing kpt #: 347 total cpu time spent up to now is 136.1 secs Computing kpt #: 348 total cpu time spent up to now is 136.5 secs Computing kpt #: 349 total cpu time spent up to now is 136.8 secs Computing kpt #: 350 total cpu time spent up to now is 137.2 secs Computing kpt #: 351 total cpu time spent up to now is 137.6 secs Computing kpt #: 352 total cpu time spent up to now is 137.9 secs Computing kpt #: 353 total cpu time spent up to now is 138.3 secs Computing kpt #: 354 total cpu time spent up to now is 138.6 secs ethr = 2.50E-08, avg # of iterations = 16.5 total cpu time spent up to now is 138.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4285 PWs) bands (ev): -66.0476 -66.0476 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5545 2.5545 8.0477 8.0477 8.0477 8.0477 8.1179 8.1179 8.1179 8.1179 8.1723 8.1723 9.2307 9.2307 9.2307 9.2307 9.3800 9.3800 9.8041 9.8041 9.8041 9.8041 10.8396 10.8396 10.8396 10.8396 10.8460 10.8460 12.2002 12.2002 12.2002 12.2002 16.1570 16.1570 16.1594 16.1594 16.1594 16.1594 17.3093 17.3093 k = 0.0094-0.0054 0.0077 ( 4284 PWs) bands (ev): -66.0475 -66.0475 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5560 2.5560 8.0459 8.0459 8.0481 8.0481 8.1182 8.1182 8.1187 8.1187 8.1732 8.1732 9.2306 9.2306 9.2307 9.2307 9.3799 9.3799 9.8019 9.8019 9.8041 9.8041 10.8390 10.8390 10.8396 10.8396 10.8458 10.8458 12.1999 12.1999 12.2010 12.2010 16.1502 16.1502 16.1520 16.1520 16.1522 16.1522 17.3057 17.3057 k = 0.0189-0.0109 0.0154 ( 4284 PWs) bands (ev): -66.0475 -66.0475 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5607 2.5607 8.0410 8.0410 8.0495 8.0495 8.1194 8.1194 8.1211 8.1211 8.1756 8.1756 9.2303 9.2303 9.2305 9.2305 9.3796 9.3796 9.7952 9.7952 9.8040 9.8040 10.8374 10.8374 10.8392 10.8392 10.8459 10.8459 12.1986 12.1986 12.1991 12.1991 16.1299 16.1299 16.1300 16.1300 16.1314 16.1314 17.2797 17.2797 k = 0.0283-0.0163 0.0231 ( 4284 PWs) bands (ev): -66.0475 -66.0475 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5685 2.5685 8.0334 8.0334 8.0517 8.0517 8.1213 8.1213 8.1246 8.1246 8.1794 8.1794 9.2297 9.2297 9.2302 9.2302 9.3790 9.3790 9.7843 9.7843 9.8039 9.8039 10.8346 10.8346 10.8372 10.8372 10.8471 10.8471 12.1947 12.1947 12.1978 12.1978 16.0943 16.0943 16.0956 16.0956 16.0993 16.0993 17.2245 17.2245 k = 0.0377-0.0218 0.0308 ( 4284 PWs) bands (ev): -66.0474 -66.0474 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5794 2.5794 8.0236 8.0236 8.0549 8.0549 8.1239 8.1239 8.1290 8.1290 8.1845 8.1845 9.2289 9.2289 9.2297 9.2297 9.3783 9.3783 9.7692 9.7692 9.8037 9.8037 10.8307 10.8307 10.8335 10.8335 10.8496 10.8496 12.1892 12.1892 12.1960 12.1960 16.0464 16.0464 16.0490 16.0490 16.0573 16.0573 17.1561 17.1561 k = 0.0472-0.0272 0.0385 ( 4292 PWs) bands (ev): -66.0483 -66.0483 -35.8282 -35.8282 -34.6255 -34.6255 -34.6254 -34.6254 2.5933 2.5933 8.0117 8.0117 8.0589 8.0589 8.1273 8.1273 8.1339 8.1339 8.1904 8.1904 9.2278 9.2278 9.2290 9.2290 9.3772 9.3772 9.7503 9.7503 9.8036 9.8036 10.8244 10.8244 10.8272 10.8272 10.8529 10.8529 12.1742 12.1742 12.1936 12.1936 15.9873 15.9873 15.9914 15.9914 16.0068 16.0068 17.0828 17.0828 k = 0.0566-0.0327 0.0462 ( 4300 PWs) bands (ev): -66.0491 -66.0491 -35.8282 -35.8282 -34.6255 -34.6255 -34.6255 -34.6255 2.6104 2.6104 7.9984 7.9984 8.0638 8.0638 8.1314 8.1314 8.1397 8.1397 8.1972 8.1972 9.2263 9.2263 9.2280 9.2280 9.3756 9.3756 9.7279 9.7279 9.8033 9.8033 10.8156 10.8156 10.8183 10.8183 10.8567 10.8567 12.1627 12.1627 12.1900 12.1900 15.9183 15.9183 15.9240 15.9240 15.9498 15.9498 17.0084 17.0084 k = 0.0660-0.0381 0.0539 ( 4304 PWs) bands (ev): -66.0495 -66.0495 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6306 2.6306 7.9834 7.9834 8.0697 8.0697 8.1363 8.1363 8.1462 8.1462 8.2045 8.2045 9.2248 9.2248 9.2268 9.2268 9.3738 9.3738 9.7024 9.7024 9.8031 9.8031 10.8086 10.8086 10.8109 10.8109 10.8612 10.8612 12.1467 12.1467 12.1866 12.1866 15.8420 15.8420 15.8489 15.8489 15.8880 15.8880 16.9351 16.9351 k = 0.0755-0.0436 0.0616 ( 4308 PWs) bands (ev): -66.0500 -66.0500 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6538 2.6538 7.9673 7.9673 8.0763 8.0763 8.1418 8.1418 8.1535 8.1535 8.2123 8.2123 9.2230 9.2230 9.2252 9.2252 9.3715 9.3715 9.6743 9.6743 9.8028 9.8028 10.7996 10.7996 10.8016 10.8016 10.8659 10.8659 12.1324 12.1324 12.1824 12.1824 15.7588 15.7588 15.7666 15.7666 15.8229 15.8229 16.8638 16.8638 k = 0.0849-0.0490 0.0693 ( 4324 PWs) bands (ev): -66.0517 -66.0517 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.6801 2.6801 7.9499 7.9499 8.0839 8.0839 8.1478 8.1478 8.1616 8.1616 8.2205 8.2205 9.2206 9.2206 9.2228 9.2228 9.3681 9.3681 9.6441 9.6441 9.8024 9.8024 10.7853 10.7853 10.7869 10.7869 10.8696 10.8696 12.1176 12.1176 12.1733 12.1733 15.6678 15.6678 15.6765 15.6765 15.7554 15.7554 16.7939 16.7939 k = 0.0943-0.0545 0.0770 ( 4316 PWs) bands (ev): -66.0508 -66.0508 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.7096 2.7096 7.9316 7.9316 8.0923 8.0923 8.1548 8.1548 8.1706 8.1706 8.2292 8.2292 9.2186 9.2186 9.2200 9.2200 9.3642 9.3642 9.6126 9.6126 9.8020 9.8020 10.7770 10.7770 10.7780 10.7780 10.8745 10.8745 12.1109 12.1109 12.1684 12.1684 15.5754 15.5754 15.5844 15.5844 15.6877 15.6877 16.7279 16.7279 k = 0.1038-0.0599 0.0847 ( 4316 PWs) bands (ev): -66.0508 -66.0508 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.7420 2.7420 7.9120 7.9120 8.1015 8.1015 8.1623 8.1623 8.1802 8.1802 8.2382 8.2382 9.2160 9.2160 9.2163 9.2163 9.3590 9.3590 9.5808 9.5808 9.8016 9.8016 10.7666 10.7666 10.7671 10.7671 10.8786 10.8786 12.0970 12.0970 12.1615 12.1615 15.4787 15.4787 15.4878 15.4878 15.6187 15.6187 16.6640 16.6640 k = 0.1132-0.0654 0.0924 ( 4316 PWs) bands (ev): -66.0508 -66.0508 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.7775 2.7775 7.8911 7.8911 8.1115 8.1115 8.1705 8.1705 8.1905 8.1905 8.2473 8.2473 9.2105 9.2105 9.2136 9.2136 9.3520 9.3520 9.5499 9.5499 9.8012 9.8012 10.7558 10.7558 10.7560 10.7560 10.8831 10.8831 12.0783 12.0783 12.1556 12.1556 15.3793 15.3793 15.3882 15.3882 15.5487 15.5487 16.6040 16.6040 k = 0.1226-0.0708 0.1001 ( 4304 PWs) bands (ev): -66.0494 -66.0494 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.8161 2.8161 7.8693 7.8693 8.1224 8.1224 8.1793 8.1793 8.2016 8.2016 8.2567 8.2567 9.2031 9.2031 9.2111 9.2111 9.3432 9.3432 9.5213 9.5213 9.8007 9.8007 10.7485 10.7485 10.7496 10.7496 10.8890 10.8890 12.0591 12.0591 12.1484 12.1484 15.2809 15.2809 15.2893 15.2893 15.4786 15.4786 16.5488 16.5488 k = 0.1321-0.0763 0.1078 ( 4308 PWs) bands (ev): -66.0499 -66.0499 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.8575 2.8575 7.8462 7.8462 8.1340 8.1340 8.1888 8.1888 8.2132 8.2132 8.2662 8.2662 9.1922 9.1922 9.2079 9.2079 9.3314 9.3314 9.4965 9.4965 9.8002 9.8002 10.7361 10.7361 10.7379 10.7379 10.8930 10.8930 12.0318 12.0318 12.1416 12.1416 15.1776 15.1776 15.1854 15.1854 15.4064 15.4064 16.4948 16.4948 k = 0.1415-0.0817 0.1155 ( 4316 PWs) bands (ev): -66.0508 -66.0508 -35.8284 -35.8284 -34.6258 -34.6258 -34.6256 -34.6256 2.9019 2.9019 7.8222 7.8222 8.1463 8.1463 8.1989 8.1989 8.2254 8.2254 8.2758 8.2758 9.1767 9.1767 9.2043 9.2043 9.3177 9.3177 9.4764 9.4764 9.7997 9.7997 10.7213 10.7213 10.7238 10.7238 10.8965 10.8965 12.0041 12.0041 12.1337 12.1337 15.0714 15.0714 15.0786 15.0786 15.3331 15.3331 16.4436 16.4436 k = 0.1509-0.0871 0.1232 ( 4300 PWs) bands (ev): -66.0490 -66.0490 -35.8283 -35.8283 -34.6258 -34.6258 -34.6256 -34.6256 2.9494 2.9494 7.7974 7.7974 8.1594 8.1594 8.2094 8.2094 8.2384 8.2384 8.2859 8.2859 9.1556 9.1556 9.2011 9.2011 9.3040 9.3040 9.4614 9.4614 9.7992 9.7992 10.7142 10.7142 10.7176 10.7176 10.9010 10.9010 11.9824 11.9824 12.1241 12.1241 14.9708 14.9708 14.9771 14.9771 15.2608 15.2608 16.3970 16.3970 k = 0.1604-0.0926 0.1309 ( 4300 PWs) bands (ev): -66.0490 -66.0490 -35.8284 -35.8284 -34.6258 -34.6258 -34.6256 -34.6256 2.9997 2.9997 7.7716 7.7716 8.1731 8.1731 8.2206 8.2206 8.2517 8.2517 8.2960 8.2960 9.1276 9.1276 9.1972 9.1972 9.2911 9.2911 9.4506 9.4506 9.7986 9.7986 10.7012 10.7012 10.7054 10.7054 10.9038 10.9038 11.9551 11.9551 12.1159 12.1159 14.8650 14.8650 14.8704 14.8704 15.1853 15.1853 16.3515 16.3515 k = 0.1698-0.0980 0.1387 ( 4292 PWs) bands (ev): -66.0481 -66.0481 -35.8284 -35.8284 -34.6258 -34.6258 -34.6256 -34.6256 3.0530 3.0530 7.7451 7.7451 8.1875 8.1875 8.2323 8.2323 8.2654 8.2654 8.3065 8.3065 9.0933 9.0933 9.1933 9.1933 9.2803 9.2803 9.4433 9.4433 9.7980 9.7980 10.6907 10.6907 10.6958 10.6958 10.9062 10.9062 11.9274 11.9274 12.1087 12.1087 14.7613 14.7613 14.7657 14.7657 15.1078 15.1078 16.3087 16.3087 k = 0.1792-0.1035 0.1464 ( 4292 PWs) bands (ev): -66.0481 -66.0481 -35.8284 -35.8284 -34.6258 -34.6258 -34.6256 -34.6256 3.1091 3.1091 7.7177 7.7177 8.2024 8.2024 8.2444 8.2444 8.2790 8.2790 8.3174 8.3174 9.0540 9.0540 9.1888 9.1888 9.2713 9.2713 9.4383 9.4383 9.7974 9.7974 10.6778 10.6778 10.6836 10.6836 10.9080 10.9080 11.8964 11.8964 12.0997 12.0997 14.6554 14.6554 14.6588 14.6588 15.0261 15.0261 16.2683 16.2683 k = 0.1887-0.1089 0.1541 ( 4284 PWs) bands (ev): -66.0473 -66.0473 -35.8284 -35.8284 -34.6259 -34.6259 -34.6256 -34.6256 3.1680 3.1680 7.6895 7.6895 8.2180 8.2180 8.2569 8.2569 8.2924 8.2924 8.3291 8.3291 9.0117 9.0117 9.1842 9.1842 9.2638 9.2638 9.4351 9.4351 9.7969 9.7969 10.6668 10.6668 10.6734 10.6734 10.9122 10.9122 11.8637 11.8637 12.0907 12.0907 14.5515 14.5515 14.5538 14.5538 14.9402 14.9402 16.2342 16.2342 k = 0.1981-0.1144 0.1618 ( 4284 PWs) bands (ev): -66.0473 -66.0473 -35.8284 -35.8284 -34.6259 -34.6259 -34.6256 -34.6256 3.2297 3.2297 7.6607 7.6607 8.2339 8.2339 8.2699 8.2699 8.3050 8.3050 8.3417 8.3417 8.9661 8.9661 9.1792 9.1792 9.2572 9.2572 9.4331 9.4331 9.7963 9.7963 10.6544 10.6544 10.6618 10.6618 10.9132 10.9132 11.8286 11.8286 12.0812 12.0812 14.4465 14.4465 14.4476 14.4476 14.8492 14.8492 16.1985 16.1985 k = 0.2075-0.1198 0.1695 ( 4284 PWs) bands (ev): -66.0473 -66.0473 -35.8284 -35.8284 -34.6259 -34.6259 -34.6256 -34.6256 3.2942 3.2942 7.6312 7.6312 8.2502 8.2502 8.2833 8.2833 8.3164 8.3164 8.3556 8.3556 8.9185 8.9185 9.1740 9.1740 9.2511 9.2511 9.4320 9.4320 9.7956 9.7956 10.6425 10.6425 10.6506 10.6506 10.9122 10.9122 11.7915 11.7915 12.0741 12.0741 14.3424 14.3424 14.3425 14.3425 14.7526 14.7526 16.1627 16.1627 k = 0.2170-0.1253 0.1772 ( 4288 PWs) bands (ev): -66.0477 -66.0477 -35.8285 -35.8285 -34.6260 -34.6260 -34.6257 -34.6257 3.3614 3.3614 7.6013 7.6013 8.2668 8.2668 8.2970 8.2970 8.3265 8.3265 8.3709 8.3709 8.8704 8.8704 9.1685 9.1685 9.2454 9.2454 9.4317 9.4317 9.7950 9.7950 10.6291 10.6291 10.6379 10.6379 10.9119 10.9119 11.7532 11.7532 12.0640 12.0640 14.2357 14.2357 14.2370 14.2370 14.6512 14.6512 16.0721 16.0721 k = 0.2264-0.1307 0.1849 ( 4284 PWs) bands (ev): -66.0473 -66.0473 -35.8285 -35.8285 -34.6260 -34.6260 -34.6257 -34.6257 3.4313 3.4313 7.5708 7.5708 8.2836 8.2836 8.3111 8.3111 8.3353 8.3353 8.3874 8.3874 8.8222 8.8222 9.1628 9.1628 9.2397 9.2397 9.4320 9.4320 9.7944 9.7944 10.6182 10.6182 10.6276 10.6276 10.9117 10.9117 11.7122 11.7122 12.0586 12.0586 14.1319 14.1319 14.1345 14.1345 14.5443 14.5443 15.9676 15.9676 k = 0.2358-0.1362 0.1926 ( 4284 PWs) bands (ev): -66.0473 -66.0473 -35.8285 -35.8285 -34.6261 -34.6261 -34.6257 -34.6257 3.5037 3.5037 7.5398 7.5398 8.3002 8.3002 8.3253 8.3253 8.3426 8.3426 8.4050 8.4050 8.7742 8.7742 9.1569 9.1569 9.2341 9.2341 9.4327 9.4327 9.7938 9.7938 10.6080 10.6080 10.6180 10.6180 10.9112 10.9112 11.6678 11.6678 12.0482 12.0482 14.0294 14.0294 14.0333 14.0333 14.4320 14.4320 15.8756 15.8756 k = 0.2453-0.1416 0.2003 ( 4284 PWs) bands (ev): -66.0473 -66.0473 -35.8285 -35.8285 -34.6261 -34.6261 -34.6257 -34.6257 3.5788 3.5788 7.5084 7.5084 8.3167 8.3167 8.3397 8.3397 8.3488 8.3488 8.4235 8.4235 8.7271 8.7271 9.1506 9.1506 9.2283 9.2283 9.4339 9.4339 9.7932 9.7932 10.5985 10.5985 10.6091 10.6091 10.9104 10.9104 11.6207 11.6207 12.0376 12.0376 13.9282 13.9282 13.9335 13.9335 14.3163 14.3163 15.7954 15.7954 k = 0.2547-0.1471 0.2080 ( 4288 PWs) bands (ev): -66.0478 -66.0478 -35.8286 -35.8286 -34.6261 -34.6261 -34.6257 -34.6257 3.6564 3.6564 7.4764 7.4764 8.3325 8.3325 8.3537 8.3537 8.3542 8.3542 8.4426 8.4426 8.6801 8.6801 9.1441 9.1441 9.2223 9.2223 9.4353 9.4353 9.7927 9.7927 10.5904 10.5904 10.6017 10.6017 10.9043 10.9043 11.5708 11.5708 12.0279 12.0279 13.8297 13.8297 13.8365 13.8365 14.1988 14.1988 15.7259 15.7259 k = 0.2642-0.1525 0.2157 ( 4304 PWs) bands (ev): -66.0496 -66.0496 -35.8286 -35.8286 -34.6262 -34.6262 -34.6258 -34.6258 3.7364 3.7364 7.4438 7.4438 8.3471 8.3471 8.3572 8.3572 8.3679 8.3679 8.4622 8.4622 8.6357 8.6357 9.1374 9.1374 9.2162 9.2162 9.4370 9.4370 9.7921 9.7921 10.5819 10.5819 10.5937 10.5937 10.8979 10.8979 11.5158 11.5158 12.0098 12.0098 13.7308 13.7308 13.7391 13.7391 14.0763 14.0763 15.6660 15.6660 k = 0.2736-0.1580 0.2234 ( 4304 PWs) bands (ev): -66.0497 -66.0497 -35.8286 -35.8286 -34.6262 -34.6262 -34.6259 -34.6259 3.8188 3.8188 7.4112 7.4112 8.3593 8.3593 8.3597 8.3597 8.3812 8.3812 8.4822 8.4822 8.5966 8.5966 9.1304 9.1304 9.2098 9.2098 9.4389 9.4389 9.7915 9.7915 10.5749 10.5749 10.5872 10.5872 10.8963 10.8963 11.4605 11.4605 11.9988 11.9988 13.6341 13.6341 13.6440 13.6440 13.9587 13.9587 15.6145 15.6145 k = 0.2830-0.1634 0.2311 ( 4304 PWs) bands (ev): -66.0497 -66.0497 -35.8287 -35.8287 -34.6263 -34.6263 -34.6259 -34.6259 3.9034 3.9034 7.3783 7.3783 8.3599 8.3599 8.3675 8.3675 8.3937 8.3937 8.5025 8.5025 8.5641 8.5641 9.1232 9.1232 9.2032 9.2032 9.4411 9.4411 9.7910 9.7910 10.5689 10.5689 10.5816 10.5816 10.8945 10.8945 11.4025 11.4025 11.9878 11.9878 13.5394 13.5394 13.5508 13.5508 13.8436 13.8436 15.5701 15.5701 k = 0.2925-0.1688 0.2388 ( 4296 PWs) bands (ev): -66.0489 -66.0489 -35.8287 -35.8287 -34.6263 -34.6263 -34.6259 -34.6259 3.9904 3.9904 7.3451 7.3451 8.3589 8.3589 8.3663 8.3663 8.4063 8.4063 8.5232 8.5232 8.5421 8.5421 9.1158 9.1158 9.1963 9.1963 9.4434 9.4434 9.7904 9.7904 10.5658 10.5658 10.5790 10.5790 10.8926 10.8926 11.3421 11.3421 11.9790 11.9790 13.4498 13.4498 13.4630 13.4630 13.7327 13.7327 15.5322 15.5322 k = 0.3019-0.1743 0.2465 ( 4292 PWs) bands (ev): -66.0484 -66.0484 -35.8287 -35.8287 -34.6263 -34.6263 -34.6259 -34.6259 4.0794 4.0794 7.3115 7.3115 8.3527 8.3527 8.3561 8.3561 8.4194 8.4194 8.5332 8.5332 8.5440 8.5440 9.1081 9.1081 9.1891 9.1891 9.4459 9.4459 9.7899 9.7899 10.5626 10.5626 10.5762 10.5762 10.8905 10.8905 11.2788 11.2788 11.9695 11.9695 13.3608 13.3608 13.3756 13.3756 13.6259 13.6259 15.4995 15.4995 k = 0.3113-0.1797 0.2542 ( 4292 PWs) bands (ev): -66.0485 -66.0485 -35.8287 -35.8287 -34.6263 -34.6263 -34.6259 -34.6259 4.1705 4.1705 7.2775 7.2775 8.3286 8.3286 8.3514 8.3514 8.4328 8.4328 8.5357 8.5357 8.5647 8.5647 9.1002 9.1002 9.1817 9.1817 9.4484 9.4484 9.7895 9.7895 10.5595 10.5595 10.5734 10.5734 10.8883 10.8883 11.2131 11.2131 11.9587 11.9587 13.2726 13.2726 13.2889 13.2889 13.5242 13.5242 15.4712 15.4712 k = 0.3208-0.1852 0.2619 ( 4312 PWs) bands (ev): -66.0507 -66.0507 -35.8288 -35.8288 -34.6265 -34.6265 -34.6259 -34.6259 4.2633 4.2633 7.2421 7.2421 8.2982 8.2982 8.3440 8.3440 8.4461 8.4461 8.5455 8.5455 8.5853 8.5853 9.0920 9.0920 9.1740 9.1740 9.4511 9.4511 9.7890 9.7890 10.5554 10.5554 10.5694 10.5694 10.8859 10.8859 11.1410 11.1410 11.9477 11.9477 13.1823 13.1823 13.2004 13.2004 13.4138 13.4138 15.4438 15.4438 k = 0.3302-0.1906 0.2696 ( 4304 PWs) bands (ev): -66.0499 -66.0499 -35.8288 -35.8288 -34.6265 -34.6265 -34.6259 -34.6259 4.3581 4.3581 7.2072 7.2072 8.2653 8.2653 8.3351 8.3351 8.4592 8.4592 8.5598 8.5598 8.6061 8.6061 9.0836 9.0836 9.1660 9.1660 9.4537 9.4537 9.7886 9.7886 10.5554 10.5554 10.5697 10.5697 10.8844 10.8844 11.0727 11.0727 11.9422 11.9422 13.1011 13.1011 13.1206 13.1206 13.3245 13.3245 15.4225 15.4225 k = 0.3396-0.1961 0.2773 ( 4308 PWs) bands (ev): -66.0503 -66.0503 -35.8288 -35.8288 -34.6266 -34.6266 -34.6259 -34.6259 4.4545 4.4545 7.1715 7.1715 8.2314 8.2314 8.3238 8.3238 8.4721 8.4721 8.5762 8.5762 8.6265 8.6265 9.0750 9.0750 9.1579 9.1579 9.4564 9.4564 9.7882 9.7882 10.5547 10.5547 10.5692 10.5692 10.8815 10.8815 11.0033 11.0033 11.9319 11.9319 13.0190 13.0190 13.0397 13.0397 13.2405 13.2405 15.4040 15.4040 k = 0.3491-0.2015 0.2850 ( 4300 PWs) bands (ev): -66.0495 -66.0495 -35.8288 -35.8288 -34.6265 -34.6265 -34.6259 -34.6259 4.5526 4.5526 7.1356 7.1356 8.1979 8.1979 8.3105 8.3105 8.4845 8.4845 8.5939 8.5939 8.6468 8.6468 9.0662 9.0662 9.1495 9.1495 9.4590 9.4590 9.7879 9.7879 10.5560 10.5560 10.5706 10.5706 10.8791 10.8791 10.9354 10.9354 11.9219 11.9219 12.9424 12.9424 12.9639 12.9639 13.1727 13.1727 15.3904 15.3904 k = 0.3585-0.2070 0.2927 ( 4288 PWs) bands (ev): -66.0482 -66.0482 -35.8288 -35.8288 -34.6265 -34.6265 -34.6259 -34.6259 4.6520 4.6520 7.0985 7.0985 8.1656 8.1656 8.2948 8.2948 8.4965 8.4965 8.6125 8.6125 8.6670 8.6670 9.0573 9.0573 9.1410 9.1410 9.4616 9.4616 9.7875 9.7875 10.5593 10.5593 10.5740 10.5740 10.8669 10.8669 10.8775 10.8775 11.9125 11.9125 12.8718 12.8718 12.8944 12.8944 13.1082 13.1082 15.3787 15.3787 k = 0.3679-0.2124 0.3004 ( 4288 PWs) bands (ev): -66.0482 -66.0482 -35.8288 -35.8288 -34.6266 -34.6266 -34.6259 -34.6259 4.7524 4.7524 7.0598 7.0598 8.1346 8.1346 8.2764 8.2764 8.5080 8.5080 8.6312 8.6312 8.6867 8.6867 9.0482 9.0482 9.1323 9.1323 9.4642 9.4642 9.7872 9.7872 10.5620 10.5620 10.5764 10.5764 10.7988 10.7988 10.8761 10.8761 11.9046 11.9046 12.8006 12.8006 12.8242 12.8242 13.0410 13.0410 15.3663 15.3663 k = 0.3774-0.2179 0.3081 ( 4296 PWs) bands (ev): -66.0492 -66.0492 -35.8288 -35.8288 -34.6266 -34.6266 -34.6260 -34.6260 4.8538 4.8538 7.0197 7.0197 8.1049 8.1049 8.2559 8.2559 8.5190 8.5190 8.6498 8.6498 8.7058 8.7058 9.0389 9.0389 9.1234 9.1234 9.4667 9.4667 9.7870 9.7870 10.5645 10.5645 10.5781 10.5781 10.7334 10.7334 10.8733 10.8733 11.8952 11.8952 12.7289 12.7289 12.7534 12.7534 12.9811 12.9811 15.3558 15.3558 k = 0.3868-0.2233 0.3158 ( 4292 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6266 -34.6266 -34.6260 -34.6260 4.9559 4.9559 6.9782 6.9782 8.0775 8.0775 8.2335 8.2335 8.5293 8.5293 8.6682 8.6682 8.7246 8.7246 9.0295 9.0295 9.1145 9.1145 9.4690 9.4690 9.7868 9.7868 10.5690 10.5690 10.5802 10.5802 10.6727 10.6727 10.8727 10.8727 11.8868 11.8868 12.6650 12.6650 12.6905 12.6905 12.9297 12.9297 15.3476 15.3476 k = 0.3962-0.2288 0.3235 ( 4292 PWs) bands (ev): -66.0489 -66.0489 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.0585 5.0585 6.9346 6.9346 8.0515 8.0515 8.2095 8.2095 8.5390 8.5390 8.6863 8.6863 8.7429 8.7429 9.0200 9.0200 9.1055 9.1055 9.4713 9.4713 9.7866 9.7866 10.5740 10.5740 10.5744 10.5744 10.6238 10.6238 10.8706 10.8706 11.8789 11.8789 12.6045 12.6045 12.6310 12.6310 12.8827 12.8827 15.3405 15.3405 k = 0.4057-0.2342 0.3312 ( 4292 PWs) bands (ev): -66.0489 -66.0489 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.1612 5.1612 6.8888 6.8888 8.0276 8.0276 8.1842 8.1842 8.5480 8.5480 8.7039 8.7039 8.7606 8.7606 9.0104 9.0104 9.0965 9.0965 9.4734 9.4734 9.7864 9.7864 10.5403 10.5403 10.5795 10.5795 10.6076 10.6076 10.8686 10.8686 11.8715 11.8715 12.5480 12.5480 12.5755 12.5755 12.8410 12.8410 15.3346 15.3346 k = 0.4151-0.2397 0.3389 ( 4300 PWs) bands (ev): -66.0498 -66.0498 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.2637 5.2637 6.8403 6.8403 8.0051 8.0051 8.1583 8.1583 8.5562 8.5562 8.7207 8.7207 8.7777 8.7777 9.0007 9.0007 9.0876 9.0876 9.4754 9.4754 9.7863 9.7863 10.4934 10.4934 10.5849 10.5849 10.6088 10.6088 10.8648 10.8648 11.8625 11.8625 12.4936 12.4936 12.5220 12.5220 12.8031 12.8031 15.3295 15.3295 k = 0.4245-0.2451 0.3466 ( 4296 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.3656 5.3656 6.7893 6.7893 7.9854 7.9854 8.1324 8.1324 8.5637 8.5637 8.7368 8.7368 8.7943 8.7943 8.9909 8.9909 9.0789 9.0789 9.4772 9.4772 9.7862 9.7862 10.4485 10.4485 10.5909 10.5909 10.6137 10.6137 10.8631 10.8631 11.8564 11.8564 12.4469 12.4469 12.4763 12.4763 12.7745 12.7745 15.3266 15.3266 k = 0.4340-0.2505 0.3543 ( 4296 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.4662 5.4662 6.7354 6.7354 7.9678 7.9678 8.1072 8.1072 8.5704 8.5704 8.7518 8.7518 8.8102 8.8102 8.9811 8.9811 9.0704 9.0704 9.4788 9.4788 9.7862 9.7862 10.4078 10.4078 10.5967 10.5967 10.6192 10.6192 10.8615 10.8615 11.8508 11.8508 12.4039 12.4039 12.4343 12.4343 12.7469 12.7469 15.3232 15.3232 k = 0.4434-0.2560 0.3620 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5650 5.5650 6.6786 6.6786 7.9528 7.9528 8.0835 8.0835 8.5763 8.5763 8.7659 8.7659 8.8257 8.8257 8.9711 8.9711 9.0624 9.0624 9.4802 9.4802 9.7861 9.7861 10.3721 10.3721 10.6025 10.6025 10.6250 10.6250 10.8611 10.8611 11.8491 11.8491 12.3694 12.3694 12.4009 12.4009 12.7238 12.7238 15.3204 15.3204 k = 0.4528-0.2614 0.3697 ( 4288 PWs) bands (ev): -66.0486 -66.0486 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.6608 5.6608 6.6192 6.6192 7.9399 7.9399 8.0619 8.0619 8.5813 8.5813 8.7783 8.7783 8.8403 8.8403 8.9610 8.9610 9.0550 9.0550 9.4815 9.4815 9.7861 9.7861 10.3418 10.3418 10.6075 10.6075 10.6302 10.6302 10.8600 10.8600 11.8449 11.8449 12.3369 12.3369 12.3692 12.3692 12.7044 12.7044 15.3182 15.3182 k = 0.4623-0.2669 0.3774 ( 4288 PWs) bands (ev): -66.0486 -66.0486 -35.8289 -35.8289 -34.6268 -34.6268 -34.6260 -34.6260 5.7522 5.7522 6.5582 6.5582 7.9296 7.9296 8.0432 8.0432 8.5854 8.5854 8.7889 8.7889 8.8542 8.8542 8.9508 8.9508 9.0484 9.0484 9.4825 9.4825 9.7861 9.7861 10.3169 10.3169 10.6119 10.6119 10.6347 10.6347 10.8606 10.8606 11.8450 11.8450 12.3081 12.3081 12.3412 12.3412 12.6858 12.6858 15.3148 15.3148 k = 0.4717-0.2723 0.3851 ( 4276 PWs) bands (ev): -66.0472 -66.0472 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.8374 5.8374 6.4978 6.4978 7.9219 7.9219 8.0280 8.0280 8.5886 8.5886 8.7979 8.7979 8.8676 8.8676 8.9405 8.9405 9.0429 9.0429 9.4833 9.4833 9.7861 9.7861 10.2976 10.2976 10.6156 10.6156 10.6386 10.6386 10.8619 10.8619 11.8432 11.8432 12.2899 12.2899 12.3236 12.3236 12.6802 12.6802 15.3153 15.3153 k = 0.4811-0.2778 0.3928 ( 4276 PWs) bands (ev): -66.0472 -66.0472 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9112 5.9112 6.4417 6.4417 7.9159 7.9159 8.0168 8.0168 8.5909 8.5909 8.8044 8.8044 8.8801 8.8801 8.9301 8.9301 9.0387 9.0387 9.4839 9.4839 9.7861 9.7861 10.2838 10.2838 10.6182 10.6182 10.6414 10.6414 10.8614 10.8614 11.8412 11.8412 12.2745 12.2745 12.3087 12.3087 12.6716 12.6716 15.3145 15.3145 k = 0.4906-0.2832 0.4005 ( 4264 PWs) bands (ev): -66.0459 -66.0459 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.9655 5.9655 6.3984 6.3984 7.9125 7.9125 8.0100 8.0100 8.5923 8.5923 8.8088 8.8088 8.8917 8.8917 8.9202 8.9202 9.0361 9.0361 9.4842 9.4842 9.7861 9.7861 10.2755 10.2755 10.6199 10.6199 10.6432 10.6432 10.8619 10.8619 11.8407 11.8407 12.2712 12.2712 12.3057 12.3057 12.6705 12.6705 15.3157 15.3157 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -66.0459 -66.0459 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9862 5.9862 6.3812 6.3812 7.9113 7.9113 8.0076 8.0076 8.5928 8.5928 8.8102 8.8102 8.8981 8.8981 8.9142 8.9142 9.0351 9.0351 9.4844 9.4844 9.7861 9.7861 10.2727 10.2727 10.6205 10.6205 10.6438 10.6438 10.8618 10.8618 11.8403 11.8403 12.2681 12.2681 12.3027 12.3027 12.6688 12.6688 15.3155 15.3155 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -66.0459 -66.0459 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9862 5.9862 6.3812 6.3812 7.9113 7.9113 8.0076 8.0076 8.5928 8.5928 8.8102 8.8102 8.8981 8.8981 8.9142 8.9142 9.0351 9.0351 9.4844 9.4844 9.7861 9.7861 10.2727 10.2727 10.6205 10.6205 10.6438 10.6438 10.8618 10.8618 11.8403 11.8403 12.2681 12.2681 12.3027 12.3027 12.6688 12.6688 15.3155 15.3155 k = 0.5000-0.2780 0.4158 ( 4264 PWs) bands (ev): -66.0459 -66.0459 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9867 5.9867 6.3823 6.3823 7.9102 7.9102 8.0077 8.0077 8.5929 8.5929 8.8104 8.8104 8.8984 8.8984 8.9144 8.9144 9.0352 9.0352 9.4838 9.4838 9.7830 9.7830 10.2727 10.2727 10.6107 10.6107 10.6347 10.6347 10.8788 10.8788 11.8427 11.8427 12.2681 12.2681 12.3027 12.3027 12.6689 12.6689 15.3210 15.3210 k = 0.5000-0.2673 0.4234 ( 4274 PWs) bands (ev): -66.0470 -66.0470 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9881 5.9881 6.3858 6.3858 7.9064 7.9064 8.0080 8.0080 8.5932 8.5932 8.8109 8.8109 8.8990 8.8990 8.9149 8.9149 9.0353 9.0353 9.4823 9.4823 9.7735 9.7735 10.2724 10.2724 10.5816 10.5816 10.6164 10.6164 10.9193 10.9193 11.8450 11.8450 12.2658 12.2658 12.3005 12.3005 12.6670 12.6670 15.3374 15.3374 k = 0.5000-0.2566 0.4309 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9904 5.9904 6.3917 6.3917 7.9004 7.9004 8.0084 8.0084 8.5938 8.5938 8.8116 8.8116 8.9001 8.9001 8.9157 8.9157 9.0354 9.0354 9.4798 9.4798 9.7577 9.7577 10.2720 10.2720 10.5429 10.5429 10.5920 10.5920 10.9727 10.9727 11.8555 11.8555 12.2617 12.2617 12.2969 12.2969 12.6668 12.6668 15.3646 15.3646 k = 0.5000-0.2459 0.4385 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6268 -34.6268 -34.6260 -34.6260 5.9937 5.9937 6.3999 6.3999 7.8923 7.8923 8.0090 8.0090 8.5946 8.5946 8.8127 8.8127 8.9016 8.9016 8.9168 8.9168 9.0356 9.0356 9.4763 9.4763 9.7358 9.7358 10.2713 10.2713 10.5033 10.5033 10.5607 10.5607 11.0324 11.0324 11.8699 11.8699 12.2567 12.2567 12.2921 12.2921 12.6676 12.6676 15.4028 15.4028 k = 0.5000-0.2352 0.4460 ( 4286 PWs) bands (ev): -66.0483 -66.0483 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9979 5.9979 6.4103 6.4103 7.8823 7.8823 8.0099 8.0099 8.5957 8.5957 8.8145 8.8145 8.9039 8.9039 8.9183 8.9183 9.0359 9.0359 9.4718 9.4718 9.7079 9.7079 10.2703 10.2703 10.4666 10.4666 10.5230 10.5230 11.0966 11.0966 11.8895 11.8895 12.2574 12.2574 12.2932 12.2932 12.6692 12.6692 15.4516 15.4516 k = 0.5000-0.2245 0.4536 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6268 -34.6268 -34.6260 -34.6260 6.0026 6.0026 6.4231 6.4231 7.8698 7.8698 8.0109 8.0109 8.5970 8.5970 8.8166 8.8166 8.9067 8.9067 8.9202 8.9202 9.0362 9.0362 9.4664 9.4664 9.6747 9.6747 10.2689 10.2689 10.4337 10.4337 10.4799 10.4799 11.1609 11.1609 11.9093 11.9093 12.2559 12.2559 12.2928 12.2928 12.6658 12.6658 15.5094 15.5094 k = 0.5000-0.2138 0.4612 ( 4286 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 6.0084 6.0084 6.4382 6.4382 7.8554 7.8554 8.0121 8.0121 8.5987 8.5987 8.8190 8.8190 8.9099 8.9099 8.9224 8.9224 9.0366 9.0366 9.4602 9.4602 9.6367 9.6367 10.2667 10.2667 10.4054 10.4054 10.4327 10.4327 11.2271 11.2271 11.9311 11.9311 12.2553 12.2553 12.2941 12.2941 12.6680 12.6680 15.5786 15.5786 k = 0.5000-0.2031 0.4687 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 6.0149 6.0149 6.4554 6.4554 7.8387 7.8387 8.0134 8.0134 8.6007 8.6007 8.8218 8.8218 8.9135 8.9135 8.9251 8.9251 9.0371 9.0371 9.4530 9.4530 9.5948 9.5948 10.2631 10.2631 10.3799 10.3799 10.3848 10.3848 11.2927 11.2927 11.9533 11.9533 12.2546 12.2546 12.2958 12.2958 12.6696 12.6696 15.6574 15.6574 k = 0.5000-0.1925 0.4763 ( 4274 PWs) bands (ev): -66.0470 -66.0470 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 6.0222 6.0222 6.4750 6.4750 7.8199 7.8199 8.0150 8.0150 8.6031 8.6031 8.8249 8.8249 8.9177 8.9177 8.9282 8.9282 9.0375 9.0375 9.4451 9.4451 9.5501 9.5501 10.2552 10.2552 10.3341 10.3341 10.3625 10.3625 11.3583 11.3583 11.9717 11.9717 12.2566 12.2566 12.3004 12.3004 12.6730 12.6730 15.7461 15.7461 k = 0.5000-0.1818 0.4838 ( 4286 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0299 6.0299 6.4966 6.4966 7.7975 7.7975 8.0164 8.0164 8.6059 8.6059 8.8278 8.8278 8.9218 8.9218 8.9316 8.9316 9.0379 9.0379 9.4365 9.4365 9.5033 9.5033 10.2336 10.2336 10.2971 10.2971 10.3460 10.3460 11.4169 11.4169 11.9882 11.9882 12.2511 12.2511 12.2988 12.2988 12.6709 12.6709 15.8427 15.8427 k = 0.5000-0.1711 0.4914 ( 4294 PWs) bands (ev): -66.0493 -66.0493 -35.8290 -35.8290 -34.6267 -34.6267 -34.6261 -34.6261 6.0380 6.0380 6.5204 6.5204 7.7732 7.7732 8.0180 8.0180 8.6092 8.6092 8.8309 8.8309 8.9261 8.9261 8.9356 8.9356 9.0384 9.0384 9.4269 9.4269 9.4558 9.4558 10.1901 10.1901 10.2804 10.2804 10.3330 10.3330 11.4753 11.4753 12.0049 12.0049 12.2433 12.2433 12.2996 12.2996 12.6703 12.6703 15.9479 15.9479 k = 0.5000-0.1604 0.4990 ( 4284 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0466 6.0466 6.5464 6.5464 7.7469 7.7469 8.0199 8.0199 8.6130 8.6130 8.8342 8.8342 8.9308 8.9308 8.9401 8.9401 9.0389 9.0389 9.4063 9.4063 9.4189 9.4189 10.1369 10.1369 10.2733 10.2733 10.3231 10.3231 11.5338 11.5338 12.0333 12.0333 12.2410 12.2410 12.3027 12.3027 12.6732 12.6732 16.0614 16.0614 k = 0.5000-0.1497 0.5065 ( 4282 PWs) bands (ev): -66.0480 -66.0480 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0555 6.0555 6.5743 6.5743 7.7182 7.7182 8.0217 8.0217 8.6174 8.6174 8.8374 8.8374 8.9357 8.9357 8.9449 8.9449 9.0394 9.0394 9.3601 9.3601 9.4076 9.4076 10.0807 10.0807 10.2687 10.2687 10.3154 10.3154 11.5894 11.5894 12.0533 12.0533 12.2370 12.2370 12.3055 12.3055 12.6731 12.6731 16.1824 16.1824 k = 0.5000-0.1390 0.5141 ( 4278 PWs) bands (ev): -66.0476 -66.0476 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0644 6.0644 6.6043 6.6043 7.6870 7.6870 8.0235 8.0235 8.6224 8.6224 8.8405 8.8405 8.9409 8.9409 8.9500 8.9500 9.0399 9.0399 9.3146 9.3146 9.3968 9.3968 10.0242 10.0242 10.2651 10.2651 10.3096 10.3096 11.6416 11.6416 12.0750 12.0750 12.2353 12.2353 12.3085 12.3085 12.6720 12.6720 16.3103 16.3103 k = 0.5000-0.1283 0.5217 ( 4280 PWs) bands (ev): -66.0478 -66.0478 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0733 6.0733 6.6362 6.6362 7.6536 7.6536 8.0252 8.0252 8.6280 8.6280 8.8432 8.8432 8.9460 8.9460 8.9553 8.9553 9.0402 9.0402 9.2714 9.2714 9.3858 9.3858 9.9683 9.9683 10.2620 10.2620 10.3051 10.3051 11.6910 11.6910 12.0898 12.0898 12.2299 12.2299 12.3113 12.3113 12.6703 12.6703 16.4448 16.4448 k = 0.5000-0.1176 0.5292 ( 4280 PWs) bands (ev): -66.0478 -66.0478 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0822 6.0822 6.6699 6.6699 7.6181 7.6181 8.0270 8.0270 8.6344 8.6344 8.8455 8.8455 8.9510 8.9510 8.9605 8.9605 9.0404 9.0404 9.2311 9.2311 9.3747 9.3747 9.9140 9.9140 10.2592 10.2592 10.3018 10.3018 11.7377 11.7377 12.1059 12.1059 12.2243 12.2243 12.3142 12.3142 12.6688 12.6688 16.5856 16.5856 k = 0.5000-0.1069 0.5368 ( 4284 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0908 6.0908 6.7054 6.7054 7.5803 7.5803 8.0287 8.0287 8.6415 8.6415 8.8470 8.8470 8.9557 8.9557 8.9656 8.9656 9.0405 9.0405 9.1947 9.1947 9.3634 9.3634 9.8616 9.8616 10.2566 10.2566 10.2992 10.2992 11.7795 11.7795 12.1201 12.1201 12.2180 12.2180 12.3169 12.3169 12.6646 12.6646 16.7319 16.7319 k = 0.5000-0.0962 0.5443 ( 4292 PWs) bands (ev): -66.0491 -66.0491 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0991 6.0991 6.7426 6.7426 7.5407 7.5407 8.0303 8.0303 8.6493 8.6493 8.8475 8.8475 8.9590 8.9590 8.9706 8.9706 9.0404 9.0404 9.1632 9.1632 9.3523 9.3523 9.8118 9.8118 10.2544 10.2544 10.2972 10.2972 11.8184 11.8184 12.1299 12.1299 12.2085 12.2085 12.3171 12.3171 12.6622 12.6622 16.8794 16.8794 k = 0.5000-0.0855 0.5519 ( 4282 PWs) bands (ev): -66.0480 -66.0480 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1071 6.1071 6.7814 6.7814 7.4998 7.4998 8.0319 8.0319 8.6581 8.6581 8.8469 8.8469 8.9606 8.9606 8.9757 8.9757 9.0406 9.0406 9.1375 9.1375 9.3415 9.3415 9.7651 9.7651 10.2526 10.2526 10.2958 10.2958 11.8588 11.8588 12.1421 12.1421 12.2056 12.2056 12.3235 12.3235 12.6645 12.6645 17.0115 17.0115 k = 0.5000-0.0748 0.5595 ( 4278 PWs) bands (ev): -66.0475 -66.0475 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1144 6.1144 6.8217 6.8217 7.4574 7.4574 8.0333 8.0333 8.6678 8.6678 8.8444 8.8444 8.9591 8.9591 8.9809 8.9809 9.0412 9.0412 9.1183 9.1183 9.3311 9.3311 9.7219 9.7219 10.2511 10.2511 10.2947 10.2947 11.8968 11.8968 12.1512 12.1512 12.2002 12.2002 12.3271 12.3271 12.6628 12.6628 17.1452 17.1452 k = 0.5000-0.0642 0.5670 ( 4284 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1209 6.1209 6.8633 6.8633 7.4133 7.4133 8.0345 8.0345 8.6783 8.6783 8.8395 8.8395 8.9547 8.9547 8.9857 8.9857 9.0427 9.0427 9.1053 9.1053 9.3213 9.3213 9.6827 9.6827 10.2497 10.2497 10.2938 10.2938 11.9273 11.9273 12.1540 12.1540 12.1930 12.1930 12.3287 12.3287 12.6600 12.6600 17.2810 17.2810 k = 0.5000-0.0535 0.5746 ( 4286 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1266 6.1266 6.9062 6.9062 7.3684 7.3684 8.0356 8.0356 8.6898 8.6898 8.8319 8.8319 8.9489 8.9489 8.9902 8.9902 9.0453 9.0453 9.0973 9.0973 9.3124 9.3124 9.6480 9.6480 10.2486 10.2486 10.2931 10.2931 11.9577 11.9577 12.1513 12.1513 12.1904 12.1904 12.3303 12.3303 12.6582 12.6582 17.4240 17.4240 k = 0.5000-0.0428 0.5821 ( 4292 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1314 6.1314 6.9501 6.9501 7.3225 7.3225 8.0365 8.0365 8.7022 8.7022 8.8214 8.8214 8.9429 8.9429 8.9939 8.9939 9.0488 9.0488 9.0927 9.0927 9.3046 9.3046 9.6185 9.6185 10.2478 10.2478 10.2925 10.2925 11.9849 11.9849 12.1432 12.1432 12.1909 12.1909 12.3282 12.3282 12.6544 12.6544 17.5718 17.5718 k = 0.5000-0.0321 0.5897 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1353 6.1353 6.9951 6.9951 7.2762 7.2762 8.0373 8.0373 8.7155 8.7155 8.8086 8.8086 8.9383 8.9383 8.9970 8.9970 9.0529 9.0529 9.0904 9.0904 9.2982 9.2982 9.5948 9.5948 10.2472 10.2472 10.2922 10.2922 12.0121 12.0121 12.1371 12.1371 12.1947 12.1947 12.3324 12.3324 12.6553 12.6553 17.7259 17.7259 k = 0.5000-0.0214 0.5973 ( 4280 PWs) bands (ev): -66.0476 -66.0476 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1381 6.1381 7.0405 7.0405 7.2299 7.2299 8.0379 8.0379 8.7294 8.7294 8.7942 8.7942 8.9350 8.9350 8.9991 8.9991 9.0565 9.0565 9.0893 9.0893 9.2934 9.2934 9.5773 9.5773 10.2469 10.2469 10.2920 10.2920 12.0412 12.0412 12.1226 12.1226 12.1985 12.1985 12.3326 12.3326 12.6554 12.6554 17.8866 17.8866 k = 0.5000-0.0107 0.6048 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1398 6.1398 7.0860 7.0860 7.1834 7.1834 8.0382 8.0382 8.7435 8.7435 8.7796 8.7796 8.9330 8.9330 9.0003 9.0003 9.0589 9.0589 9.0888 9.0888 9.2904 9.2904 9.5666 9.5666 10.2466 10.2466 10.2918 10.2918 12.0575 12.0575 12.1074 12.1074 12.1998 12.1998 12.3328 12.3328 12.6544 12.6544 18.0471 18.0471 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1404 6.1404 7.1217 7.1217 7.1475 7.1475 8.0383 8.0383 8.7526 8.7526 8.7702 8.7702 8.9324 8.9324 9.0008 9.0008 9.0598 9.0598 9.0886 9.0886 9.2894 9.2894 9.5630 9.5630 10.2465 10.2465 10.2918 10.2918 12.0674 12.0674 12.0994 12.0994 12.2004 12.2004 12.3329 12.3329 12.6542 12.6542 18.1916 18.1916 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1404 6.1404 7.1217 7.1217 7.1475 7.1475 8.0383 8.0383 8.7526 8.7526 8.7702 8.7702 8.9324 8.9324 9.0008 9.0008 9.0598 9.0598 9.0886 9.0886 9.2894 9.2894 9.5630 9.5630 10.2465 10.2465 10.2918 10.2918 12.0674 12.0674 12.0994 12.0994 12.2004 12.2004 12.3329 12.3329 12.6542 12.6542 18.1916 18.1916 k = 0.4934 0.0114 0.6124 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1385 6.1385 7.0995 7.0995 7.1698 7.1698 8.0392 8.0392 8.7471 8.7471 8.7755 8.7755 8.9317 8.9317 8.9975 8.9975 9.0589 9.0589 9.0929 9.0929 9.2898 9.2898 9.5639 9.5639 10.2480 10.2480 10.2935 10.2935 12.0606 12.0606 12.1034 12.1034 12.2022 12.2022 12.3337 12.3337 12.6553 12.6553 18.0339 18.0339 k = 0.4868 0.0228 0.6124 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1336 6.1336 7.0694 7.0694 7.1996 7.1996 8.0418 8.0418 8.7372 8.7372 8.7847 8.7847 8.9299 8.9299 8.9888 8.9888 9.0576 9.0576 9.1035 9.1035 9.2910 9.2910 9.5657 9.5657 10.2520 10.2520 10.2998 10.2998 12.0428 12.0428 12.1130 12.1130 12.2082 12.2082 12.3363 12.3363 12.6571 12.6571 17.8392 17.8392 k = 0.4803 0.0342 0.6124 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6266 -34.6266 -34.6263 -34.6263 6.1263 6.1263 7.0399 7.0399 7.2278 7.2278 8.0458 8.0458 8.7266 8.7266 8.7937 8.7937 8.9269 8.9269 8.9775 8.9775 9.0569 9.0569 9.1169 9.1169 9.2929 9.2929 9.5672 9.5672 10.2567 10.2567 10.3130 10.3130 12.0194 12.0194 12.1197 12.1197 12.2135 12.2135 12.3398 12.3398 12.6588 12.6588 17.6391 17.6391 k = 0.4737 0.0456 0.6124 ( 4289 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1174 6.1174 7.0119 7.0119 7.2532 7.2532 8.0512 8.0512 8.7159 8.7159 8.8015 8.8015 8.9223 8.9223 8.9673 8.9673 9.0569 9.0569 9.1313 9.1313 9.2953 9.2953 9.5673 9.5673 10.2606 10.2606 10.3353 10.3353 11.9930 11.9930 12.1311 12.1311 12.2273 12.2273 12.3416 12.3416 12.6638 12.6638 17.4389 17.4389 k = 0.4671 0.0570 0.6124 ( 4289 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1075 6.1075 6.9854 6.9854 7.2757 7.2757 8.0575 8.0575 8.7055 8.7055 8.8069 8.8069 8.9160 8.9160 8.9604 8.9604 9.0581 9.0581 9.1456 9.1456 9.2981 9.2981 9.5653 9.5653 10.2631 10.2631 10.3670 10.3670 11.9637 11.9637 12.1395 12.1395 12.2426 12.2426 12.3465 12.3465 12.6693 12.6693 17.2416 17.2416 k = 0.4605 0.0684 0.6124 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0969 6.0969 6.9604 6.9604 7.2951 7.2951 8.0646 8.0646 8.6953 8.6953 8.8092 8.8092 8.9087 8.9087 8.9573 8.9573 9.0603 9.0603 9.1592 9.1592 9.3012 9.3012 9.5607 9.5607 10.2646 10.2646 10.4074 10.4074 11.9327 11.9327 12.1466 12.1466 12.2602 12.2602 12.3517 12.3517 12.6743 12.6743 17.0492 17.0492 k = 0.4539 0.0798 0.6124 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0861 6.0861 6.9371 6.9371 7.3117 7.3117 8.0722 8.0722 8.6856 8.6856 8.8077 8.8077 8.9025 8.9025 8.9573 8.9573 9.0642 9.0642 9.1721 9.1721 9.3045 9.3045 9.5533 9.5533 10.2656 10.2656 10.4556 10.4556 11.9013 11.9013 12.1564 12.1564 12.2849 12.2849 12.3585 12.3585 12.6823 12.6823 16.8633 16.8633 k = 0.4474 0.0912 0.6124 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0753 6.0753 6.9156 6.9156 7.3255 7.3255 8.0799 8.0799 8.6763 8.6763 8.8025 8.8025 8.8981 8.8981 8.9590 8.9590 9.0697 9.0697 9.1838 9.1838 9.3079 9.3079 9.5434 9.5434 10.2663 10.2663 10.5100 10.5100 11.8665 11.8665 12.1630 12.1630 12.3070 12.3070 12.3649 12.3649 12.6877 12.6877 16.6839 16.6839 k = 0.4408 0.1026 0.6124 ( 4286 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0648 6.0648 6.8957 6.8957 7.3369 7.3369 8.0874 8.0874 8.6674 8.6674 8.7946 8.7946 8.8953 8.8953 8.9614 8.9614 9.0772 9.0772 9.1944 9.1944 9.3112 9.3112 9.5310 9.5310 10.2667 10.2667 10.5694 10.5694 11.8292 11.8292 12.1659 12.1659 12.3306 12.3306 12.3726 12.3726 12.6900 12.6900 16.5129 16.5129 k = 0.4342 0.1140 0.6124 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0548 6.0548 6.8777 6.8777 7.3461 7.3461 8.0946 8.0946 8.6592 8.6592 8.7855 8.7855 8.8938 8.8938 8.9641 8.9641 9.0869 9.0869 9.2042 9.2042 9.3144 9.3144 9.5167 9.5167 10.2670 10.2670 10.6326 10.6326 11.7931 11.7931 12.1726 12.1726 12.3521 12.3521 12.3862 12.3862 12.6953 12.6953 16.3517 16.3517 k = 0.4276 0.1253 0.6124 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0454 6.0454 6.8615 6.8615 7.3535 7.3535 8.1014 8.1014 8.6516 8.6516 8.7759 8.7759 8.8928 8.8928 8.9665 8.9665 9.0985 9.0985 9.2131 9.2131 9.3173 9.3173 9.5008 9.5008 10.2673 10.2673 10.6977 10.6977 11.7550 11.7550 12.1774 12.1774 12.3655 12.3655 12.4064 12.4064 12.6984 12.6984 16.2011 16.2011 k = 0.4211 0.1367 0.6124 ( 4280 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0369 6.0369 6.8471 6.8471 7.3594 7.3594 8.1076 8.1076 8.6446 8.6446 8.7666 8.7666 8.8922 8.8922 8.9685 8.9685 9.1117 9.1117 9.2212 9.2212 9.3199 9.3199 9.4838 9.4838 10.2674 10.2674 10.7637 10.7637 11.7164 11.7164 12.1835 12.1835 12.3740 12.3740 12.4334 12.4334 12.7004 12.7004 16.0627 16.0627 k = 0.4145 0.1481 0.6124 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0293 6.0293 6.8346 6.8346 7.3638 7.3638 8.1128 8.1128 8.6384 8.6384 8.7581 8.7581 8.8916 8.8916 8.9698 8.9698 9.1257 9.1257 9.2289 9.2289 9.3221 9.3221 9.4661 9.4661 10.2676 10.2676 10.8283 10.8283 11.6745 11.6745 12.1869 12.1869 12.3790 12.3790 12.4622 12.4622 12.6987 12.6987 15.9355 15.9355 k = 0.4079 0.1595 0.6124 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0227 6.0227 6.8240 6.8240 7.3674 7.3674 8.1175 8.1175 8.6330 8.6330 8.7507 8.7507 8.8912 8.8912 8.9707 8.9707 9.1398 9.1398 9.2364 9.2364 9.3237 9.3237 9.4484 9.4484 10.2677 10.2677 10.8911 10.8911 11.6356 11.6356 12.1906 12.1906 12.3822 12.3822 12.4916 12.4916 12.6978 12.6978 15.8262 15.8262 k = 0.4013 0.1709 0.6124 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0173 6.0173 6.8153 6.8153 7.3700 7.3700 8.1213 8.1213 8.6285 8.6285 8.7445 8.7445 8.8909 8.8909 8.9714 8.9714 9.1531 9.1531 9.2440 9.2440 9.3245 9.3245 9.4313 9.4313 10.2678 10.2678 10.9486 10.9486 11.5986 11.5986 12.1949 12.1949 12.3849 12.3849 12.5209 12.5209 12.6930 12.6930 15.7336 15.7336 k = 0.3947 0.1823 0.6124 ( 4283 PWs) bands (ev): -66.0480 -66.0480 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0130 6.0130 6.8085 6.8085 7.3720 7.3720 8.1244 8.1244 8.6249 8.6249 8.7397 8.7397 8.8907 8.8907 8.9717 8.9717 9.1646 9.1646 9.2519 9.2519 9.3244 9.3244 9.4158 9.4158 10.2678 10.2678 11.0006 11.0006 11.5649 11.5649 12.1972 12.1972 12.3872 12.3872 12.5478 12.5478 12.6887 12.6887 15.6606 15.6606 k = 0.3882 0.1937 0.6124 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0099 6.0099 6.8037 6.8037 7.3732 7.3732 8.1264 8.1264 8.6222 8.6222 8.7361 8.7361 8.8904 8.8904 8.9718 8.9718 9.1734 9.1734 9.2596 9.2596 9.3232 9.3232 9.4032 9.4032 10.2678 10.2678 11.0424 11.0424 11.5338 11.5338 12.1941 12.1941 12.3888 12.3888 12.5702 12.5702 12.6822 12.6822 15.6054 15.6054 k = 0.3816 0.2051 0.6124 ( 4290 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0079 6.0079 6.8007 6.8007 7.3738 7.3738 8.1278 8.1278 8.6206 8.6206 8.7340 8.7340 8.8902 8.8902 8.9718 8.9718 9.1788 9.1788 9.2658 9.2658 9.3214 9.3214 9.3948 9.3948 10.2679 10.2679 11.0709 11.0709 11.5115 11.5115 12.1960 12.1960 12.3881 12.3881 12.5845 12.5845 12.6775 12.6775 15.5719 15.5719 k = 0.3750 0.2165 0.6124 ( 4300 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6262 -34.6262 6.0072 6.0072 6.7997 6.7997 7.3739 7.3739 8.1281 8.1281 8.6200 8.6200 8.7332 8.7332 8.8901 8.8901 8.9717 8.9717 9.1806 9.1806 9.2683 9.2683 9.3205 9.3205 9.3918 9.3918 10.2678 10.2678 11.0796 11.0796 11.5014 11.5014 12.1931 12.1931 12.3871 12.3871 12.5873 12.5873 12.6719 12.6719 15.5589 15.5589 k = 0.3750 0.2165 0.6124 ( 4300 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6262 -34.6262 6.0072 6.0072 6.7997 6.7997 7.3739 7.3739 8.1281 8.1281 8.6200 8.6200 8.7332 8.7332 8.8901 8.8901 8.9717 8.9717 9.1806 9.1806 9.2683 9.2683 9.3205 9.3205 9.3918 9.3918 10.2678 10.2678 11.0796 11.0796 11.5014 11.5014 12.1931 12.1931 12.3871 12.3871 12.5873 12.5873 12.6719 12.6719 15.5589 15.5589 k = 0.3684 0.2127 0.6016 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9849 5.9849 6.8439 6.8439 7.3313 7.3313 8.1410 8.1410 8.6172 8.6172 8.7170 8.7170 8.8972 8.8972 8.9748 8.9748 9.1708 9.1708 9.2476 9.2476 9.3008 9.3008 9.3892 9.3892 10.2667 10.2667 11.1073 11.1073 11.5406 11.5406 12.1882 12.1882 12.4038 12.4038 12.5838 12.5838 12.7583 12.7583 15.5646 15.5646 k = 0.3618 0.2089 0.5909 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9551 5.9551 6.8901 6.8901 7.2928 7.2928 8.1540 8.1540 8.6102 8.6102 8.7045 8.7045 8.9037 8.9037 8.9762 8.9762 9.1565 9.1565 9.2262 9.2262 9.2826 9.2826 9.3982 9.3982 10.2655 10.2655 11.1331 11.1331 11.5751 11.5751 12.1789 12.1789 12.4204 12.4204 12.5732 12.5732 12.8444 12.8444 15.5664 15.5664 k = 0.3553 0.2051 0.5801 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9175 5.9175 6.9382 6.9382 7.2597 7.2597 8.1672 8.1672 8.5977 8.5977 8.6970 8.6970 8.9096 8.9096 8.9760 8.9760 9.1414 9.1414 9.2038 9.2038 9.2667 9.2667 9.4146 9.4146 10.2642 10.2642 11.1570 11.1570 11.6113 11.6113 12.1686 12.1686 12.4374 12.4374 12.5616 12.5616 12.9303 12.9303 15.5682 15.5682 k = 0.3487 0.2013 0.5694 ( 4286 PWs) bands (ev): -66.0483 -66.0483 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8715 5.8715 6.9884 6.9884 7.2329 7.2329 8.1808 8.1808 8.5807 8.5807 8.6945 8.6945 8.9143 8.9143 8.9745 8.9745 9.1273 9.1273 9.1817 9.1817 9.2530 9.2530 9.4357 9.4357 10.2628 10.2628 11.1838 11.1838 11.6450 11.6450 12.1600 12.1600 12.4572 12.4572 12.5521 12.5521 13.0238 13.0238 15.5703 15.5703 k = 0.3421 0.1975 0.5587 ( 4278 PWs) bands (ev): -66.0474 -66.0474 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8177 5.8177 7.0405 7.0405 7.2130 7.2130 8.1944 8.1944 8.5601 8.5601 8.6955 8.6955 8.9171 8.9171 8.9721 8.9721 9.1147 9.1147 9.1608 9.1608 9.2416 9.2416 9.4601 9.4601 10.2616 10.2616 11.2094 11.2094 11.6861 11.6861 12.1492 12.1492 12.4783 12.4783 12.5491 12.5491 13.1180 13.1180 15.5743 15.5743 k = 0.3355 0.1937 0.5479 ( 4277 PWs) bands (ev): -66.0473 -66.0473 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.7560 5.7560 7.0942 7.0942 7.1997 7.1997 8.2081 8.2081 8.5375 8.5375 8.6988 8.6988 8.9170 8.9170 8.9695 8.9695 9.1027 9.1027 9.1418 9.1418 9.2326 9.2326 9.4864 9.4864 10.2600 10.2600 11.2345 11.2345 11.7279 11.7279 12.1371 12.1371 12.4863 12.4863 12.5535 12.5535 13.2140 13.2140 15.5775 15.5775 k = 0.3289 0.1899 0.5372 ( 4277 PWs) bands (ev): -66.0473 -66.0473 -35.8289 -35.8289 -34.6265 -34.6265 -34.6261 -34.6261 5.6870 5.6870 7.1494 7.1494 7.1930 7.1930 8.2218 8.2218 8.5137 8.5137 8.7036 8.7036 8.9136 8.9136 8.9678 8.9678 9.0906 9.0906 9.1257 9.1257 9.2263 9.2263 9.5140 9.5140 10.2583 10.2583 11.2595 11.2595 11.7707 11.7707 12.1243 12.1243 12.4857 12.4857 12.5683 12.5683 13.3120 13.3120 15.5809 15.5809 k = 0.3224 0.1861 0.5264 ( 4277 PWs) bands (ev): -66.0473 -66.0473 -35.8289 -35.8289 -34.6265 -34.6265 -34.6260 -34.6260 5.6117 5.6117 7.1906 7.1906 7.2081 7.2081 8.2354 8.2354 8.4892 8.4892 8.7093 8.7093 8.9069 8.9069 8.9668 8.9668 9.0775 9.0775 9.1130 9.1130 9.2230 9.2230 9.5427 9.5427 10.2566 10.2566 11.2844 11.2844 11.8152 11.8152 12.1107 12.1107 12.4798 12.4798 12.5908 12.5908 13.4121 13.4121 15.5850 15.5850 k = 0.3158 0.1823 0.5157 ( 4281 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6266 -34.6266 -34.6260 -34.6260 5.5308 5.5308 7.1959 7.1959 7.2660 7.2660 8.2488 8.2488 8.4644 8.4644 8.7157 8.7157 8.8975 8.8975 8.9661 8.9661 9.0629 9.0629 9.1041 9.1041 9.2225 9.2225 9.5722 9.5722 10.2548 10.2548 11.3072 11.3072 11.8609 11.8609 12.0962 12.0962 12.4709 12.4709 12.6176 12.6176 13.5116 13.5116 15.5898 15.5898 k = 0.3092 0.1785 0.5049 ( 4281 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6265 -34.6265 -34.6260 -34.6260 5.4455 5.4455 7.2051 7.2051 7.3260 7.3260 8.2618 8.2618 8.4398 8.4398 8.7224 8.7224 8.8864 8.8864 8.9650 8.9650 9.0474 9.0474 9.0990 9.0990 9.2244 9.2244 9.6025 9.6025 10.2528 10.2528 11.3324 11.3324 11.9101 11.9101 12.0789 12.0789 12.4645 12.4645 12.6467 12.6467 13.6157 13.6157 15.5956 15.5956 k = 0.3026 0.1747 0.4942 ( 4285 PWs) bands (ev): -66.0481 -66.0481 -35.8288 -35.8288 -34.6266 -34.6266 -34.6260 -34.6260 5.3563 5.3563 7.2183 7.2183 7.3874 7.3874 8.2744 8.2744 8.4154 8.4154 8.7293 8.7293 8.8739 8.8739 8.9634 8.9634 9.0313 9.0313 9.0974 9.0974 9.2282 9.2282 9.6329 9.6329 10.2507 10.2507 11.3570 11.3570 11.9567 11.9567 12.0633 12.0633 12.4578 12.4578 12.6759 12.6759 13.7209 13.7209 15.6014 15.6014 k = 0.2961 0.1709 0.4835 ( 4285 PWs) bands (ev): -66.0481 -66.0481 -35.8288 -35.8288 -34.6265 -34.6265 -34.6260 -34.6260 5.2643 5.2643 7.2349 7.2349 7.4501 7.4501 8.2864 8.2864 8.3916 8.3916 8.7358 8.7358 8.8608 8.8608 8.9611 8.9611 9.0158 9.0158 9.0987 9.0987 9.2336 9.2336 9.6639 9.6639 10.2487 10.2487 11.3816 11.3816 12.0041 12.0041 12.0468 12.0468 12.4540 12.4540 12.7117 12.7117 13.8279 13.8279 15.6090 15.6090 k = 0.2895 0.1671 0.4727 ( 4287 PWs) bands (ev): -66.0483 -66.0483 -35.8288 -35.8288 -34.6266 -34.6266 -34.6260 -34.6260 5.1701 5.1701 7.2543 7.2543 7.5140 7.5140 8.2973 8.2973 8.3684 8.3684 8.7416 8.7416 8.8473 8.8473 8.9582 8.9582 9.0017 9.0017 9.1025 9.1025 9.2400 9.2400 9.6951 9.6951 10.2467 10.2467 11.4056 11.4056 12.0281 12.0281 12.0500 12.0500 12.4537 12.4537 12.7500 12.7500 13.9358 13.9358 15.6175 15.6175 k = 0.2829 0.1633 0.4620 ( 4299 PWs) bands (ev): -66.0496 -66.0496 -35.8288 -35.8288 -34.6266 -34.6266 -34.6260 -34.6260 5.0744 5.0744 7.2756 7.2756 7.5787 7.5787 8.3062 8.3062 8.3470 8.3470 8.7457 8.7457 8.8340 8.8340 8.9540 8.9540 8.9903 8.9903 9.1082 9.1082 9.2471 9.2471 9.7259 9.7259 10.2447 10.2447 11.4299 11.4299 12.0050 12.0050 12.0880 12.0880 12.4536 12.4536 12.7903 12.7903 14.0455 14.0455 15.6249 15.6249 k = 0.2763 0.1595 0.4512 ( 4295 PWs) bands (ev): -66.0491 -66.0491 -35.8288 -35.8288 -34.6265 -34.6265 -34.6260 -34.6260 4.9777 4.9777 7.2991 7.2991 7.6441 7.6441 8.3088 8.3088 8.3318 8.3318 8.7475 8.7475 8.8218 8.8218 8.9480 8.9480 8.9834 8.9834 9.1154 9.1154 9.2549 9.2549 9.7582 9.7582 10.2429 10.2429 11.4544 11.4544 11.9858 11.9858 12.1282 12.1282 12.4682 12.4682 12.8358 12.8358 14.1566 14.1566 15.6368 15.6368 k = 0.2697 0.1557 0.4405 ( 4295 PWs) bands (ev): -66.0491 -66.0491 -35.8288 -35.8288 -34.6265 -34.6265 -34.6260 -34.6260 4.8805 4.8805 7.3240 7.3240 7.7098 7.7098 8.2953 8.2953 8.3326 8.3326 8.7456 8.7456 8.8116 8.8116 8.9408 8.9408 8.9812 8.9812 9.1237 9.1237 9.2629 9.2629 9.7905 9.7905 10.2410 10.2410 11.4789 11.4789 11.9657 11.9657 12.1572 12.1572 12.4935 12.4935 12.8816 12.8816 14.2690 14.2690 15.6498 15.6498 k = 0.2632 0.1519 0.4297 ( 4303 PWs) bands (ev): -66.0499 -66.0499 -35.8288 -35.8288 -34.6265 -34.6265 -34.6260 -34.6260 4.7833 4.7833 7.3498 7.3498 7.7753 7.7753 8.2760 8.2760 8.3384 8.3384 8.7390 8.7390 8.8038 8.8038 8.9342 8.9342 8.9826 8.9826 9.1329 9.1329 9.2711 9.2711 9.8229 9.8229 10.2390 10.2390 11.5008 11.5008 11.9432 11.9432 12.1771 12.1771 12.5282 12.5282 12.9261 12.9261 14.3804 14.3804 15.6636 15.6636 k = 0.2566 0.1481 0.4190 ( 4301 PWs) bands (ev): -66.0497 -66.0497 -35.8288 -35.8288 -34.6265 -34.6265 -34.6260 -34.6260 4.6863 4.6863 7.3768 7.3768 7.8405 7.8405 8.2569 8.2569 8.3443 8.3443 8.7284 8.7284 8.7976 8.7976 8.9305 8.9305 8.9867 8.9867 9.1429 9.1429 9.2794 9.2794 9.8560 9.8560 10.2376 10.2376 11.5251 11.5251 11.9213 11.9213 12.1886 12.1886 12.5775 12.5775 12.9784 12.9784 14.4947 14.4947 15.6805 15.6805 k = 0.2500 0.1443 0.4082 ( 4291 PWs) bands (ev): -66.0485 -66.0485 -35.8288 -35.8288 -34.6264 -34.6264 -34.6259 -34.6259 4.5899 4.5899 7.4042 7.4042 7.9046 7.9046 8.2391 8.2391 8.3493 8.3493 8.7150 8.7150 8.7922 8.7922 8.9303 8.9303 8.9927 8.9927 9.1534 9.1534 9.2876 9.2876 9.8897 9.8897 10.2365 10.2365 11.5544 11.5544 11.8991 11.8991 12.1961 12.1961 12.6363 12.6363 13.0346 13.0346 14.6134 14.6134 15.6994 15.6994 k = 0.2434 0.1405 0.3975 ( 4301 PWs) bands (ev): -66.0497 -66.0497 -35.8288 -35.8288 -34.6265 -34.6265 -34.6259 -34.6259 4.4943 4.4943 7.4318 7.4318 7.9662 7.9662 8.2220 8.2220 8.3530 8.3530 8.6998 8.6998 8.7869 8.7869 8.9333 8.9333 9.0004 9.0004 9.1644 9.1644 9.2957 9.2957 9.9229 9.9229 10.2352 10.2352 11.5763 11.5763 11.8735 11.8735 12.1908 12.1908 12.7007 12.7007 13.0870 13.0870 14.7273 14.7273 15.7200 15.7200 k = 0.2368 0.1367 0.3868 ( 4305 PWs) bands (ev): -66.0501 -66.0501 -35.8287 -35.8287 -34.6264 -34.6264 -34.6259 -34.6259 4.3999 4.3999 7.4596 7.4596 8.0242 8.0242 8.2076 8.2076 8.3553 8.3553 8.6835 8.6835 8.7826 8.7826 8.9393 8.9393 9.0095 9.0095 9.1757 9.1757 9.3035 9.3035 9.9568 9.9568 10.2344 10.2344 11.6000 11.6000 11.8460 11.8460 12.1888 12.1888 12.7689 12.7689 13.1451 13.1451 14.8432 14.8432 15.7426 15.7426 k = 0.2303 0.1329 0.3760 ( 4305 PWs) bands (ev): -66.0501 -66.0501 -35.8287 -35.8287 -34.6264 -34.6264 -34.6259 -34.6259 4.3067 4.3067 7.4874 7.4874 8.0747 8.0747 8.1980 8.1980 8.3565 8.3565 8.6667 8.6667 8.7808 8.7808 8.9481 8.9481 9.0198 9.0198 9.1875 9.1875 9.3112 9.3112 9.9915 9.9915 10.2342 10.2342 11.6240 11.6240 11.8205 11.8205 12.1839 12.1839 12.8436 12.8436 13.2064 13.2064 14.9596 14.9596 15.7684 15.7684 k = 0.2237 0.1291 0.3653 ( 4301 PWs) bands (ev): -66.0496 -66.0496 -35.8287 -35.8287 -34.6264 -34.6264 -34.6259 -34.6259 4.2151 4.2151 7.5151 7.5151 8.1095 8.1095 8.2005 8.2005 8.3564 8.3564 8.6494 8.6494 8.7830 8.7830 8.9588 8.9588 9.0310 9.0310 9.1996 9.1996 9.3187 9.3187 10.0272 10.0272 10.2347 10.2347 11.6487 11.6487 11.7943 11.7943 12.1808 12.1808 12.9225 12.9225 13.2712 13.2712 15.0765 15.0765 15.7969 15.7969 k = 0.2171 0.1253 0.3545 ( 4293 PWs) bands (ev): -66.0487 -66.0487 -35.8287 -35.8287 -34.6263 -34.6263 -34.6258 -34.6258 4.1251 4.1251 7.5425 7.5425 8.1203 8.1203 8.2219 8.2219 8.3550 8.3550 8.6317 8.6317 8.7909 8.7909 8.9709 8.9709 9.0431 9.0431 9.2121 9.2121 9.3259 9.3259 10.0638 10.0638 10.2362 10.2362 11.6743 11.6743 11.7672 11.7672 12.1801 12.1801 13.0051 13.0051 13.3394 13.3394 15.1937 15.1937 15.8284 15.8284 k = 0.2105 0.1215 0.3438 ( 4297 PWs) bands (ev): -66.0491 -66.0491 -35.8287 -35.8287 -34.6263 -34.6263 -34.6258 -34.6258 4.0368 4.0368 7.5694 7.5694 8.1158 8.1158 8.2513 8.2513 8.3524 8.3524 8.6138 8.6138 8.8056 8.8056 8.9840 8.9840 9.0557 9.0557 9.2248 9.2248 9.3329 9.3329 10.0991 10.0991 10.2378 10.2378 11.6980 11.6980 11.7391 11.7391 12.1726 12.1726 13.0881 13.0881 13.4048 13.4048 15.3090 15.3090 15.8625 15.8625 k = 0.2039 0.1177 0.3330 ( 4297 PWs) bands (ev): -66.0491 -66.0491 -35.8286 -35.8286 -34.6263 -34.6263 -34.6258 -34.6258 3.9505 3.9505 7.5960 7.5960 8.1066 8.1066 8.2779 8.2779 8.3488 8.3488 8.5956 8.5956 8.8291 8.8291 8.9980 8.9980 9.0687 9.0687 9.2379 9.2379 9.3397 9.3397 10.1344 10.1344 10.2414 10.2414 11.7101 11.7101 11.7217 11.7217 12.1654 12.1654 13.1738 13.1738 13.4769 13.4769 15.4232 15.4232 15.9000 15.9000 k = 0.1974 0.1140 0.3223 ( 4289 PWs) bands (ev): -66.0482 -66.0482 -35.8286 -35.8286 -34.6262 -34.6262 -34.6258 -34.6258 3.8662 3.8662 7.6221 7.6221 8.0964 8.0964 8.2977 8.2977 8.3442 8.3442 8.5773 8.5773 8.8618 8.8618 9.0127 9.0127 9.0819 9.0819 9.2513 9.2513 9.3463 9.3463 10.1697 10.1697 10.2483 10.2483 11.6811 11.6811 11.7470 11.7470 12.1594 12.1594 13.2624 13.2624 13.5568 13.5568 15.5366 15.5366 15.9410 15.9410 k = 0.1908 0.1102 0.3116 ( 4297 PWs) bands (ev): -66.0490 -66.0490 -35.8286 -35.8286 -34.6262 -34.6262 -34.6258 -34.6258 3.7839 3.7839 7.6475 7.6475 8.0857 8.0857 8.3099 8.3099 8.3387 8.3387 8.5589 8.5589 8.9007 8.9007 9.0274 9.0274 9.0951 9.0951 9.2650 9.2650 9.3528 9.3528 10.2010 10.2010 10.2588 10.2588 11.6476 11.6476 11.7672 11.7672 12.1507 12.1507 13.3537 13.3537 13.6295 13.6295 15.6448 15.6448 15.9851 15.9851 k = 0.1842 0.1064 0.3008 ( 4297 PWs) bands (ev): -66.0490 -66.0490 -35.8286 -35.8286 -34.6262 -34.6262 -34.6258 -34.6258 3.7039 3.7039 7.6724 7.6724 8.0757 8.0757 8.3156 8.3156 8.3322 8.3322 8.5404 8.5404 8.9460 8.9460 9.0433 9.0433 9.1082 9.1082 9.2790 9.2790 9.3594 9.3594 10.2239 10.2239 10.2788 10.2788 11.6164 11.6164 11.7902 11.7902 12.1447 12.1447 13.4441 13.4441 13.7097 13.7097 15.7514 15.7514 16.0329 16.0329 k = 0.1776 0.1026 0.2901 ( 4307 PWs) bands (ev): -66.0501 -66.0501 -35.8286 -35.8286 -34.6262 -34.6262 -34.6258 -34.6258 3.6261 3.6261 7.6967 7.6967 8.0660 8.0660 8.3160 8.3160 8.3249 8.3249 8.5220 8.5220 8.9934 8.9934 9.0605 9.0605 9.1210 9.1210 9.2933 9.2933 9.3663 9.3663 10.2378 10.2378 10.3070 10.3070 11.5842 11.5842 11.8090 11.8090 12.1364 12.1364 13.5347 13.5347 13.7886 13.7886 15.8515 15.8515 16.0840 16.0840 k = 0.1711 0.0988 0.2793 ( 4303 PWs) bands (ev): -66.0496 -66.0496 -35.8285 -35.8285 -34.6261 -34.6261 -34.6257 -34.6257 3.5507 3.5507 7.7203 7.7203 8.0574 8.0574 8.3123 8.3123 8.3170 8.3170 8.5036 8.5036 9.0386 9.0386 9.0839 9.0839 9.1339 9.1339 9.3079 9.3079 9.3737 9.3737 10.2501 10.2501 10.3413 10.3413 11.5522 11.5522 11.8319 11.8319 12.1318 12.1318 13.6281 13.6281 13.8773 13.8773 15.9483 15.9483 16.1388 16.1388 k = 0.1645 0.0950 0.2686 ( 4301 PWs) bands (ev): -66.0493 -66.0493 -35.8285 -35.8285 -34.6261 -34.6261 -34.6257 -34.6257 3.4777 3.4777 7.7433 7.7433 8.0496 8.0496 8.3053 8.3053 8.3089 8.3089 8.4853 8.4853 9.0690 9.0690 9.1197 9.1197 9.1480 9.1480 9.3229 9.3229 9.3819 9.3819 10.2604 10.2604 10.3771 10.3771 11.5227 11.5227 11.8555 11.8555 12.1283 12.1283 13.7235 13.7235 13.9617 13.9617 16.0384 16.0384 16.1970 16.1970 k = 0.1579 0.0912 0.2578 ( 4305 PWs) bands (ev): -66.0497 -66.0497 -35.8285 -35.8285 -34.6261 -34.6261 -34.6257 -34.6257 3.4072 3.4072 7.7654 7.7654 8.0425 8.0425 8.2957 8.2957 8.3007 8.3007 8.4671 8.4671 9.0879 9.0879 9.1500 9.1500 9.1770 9.1770 9.3386 9.3386 9.3915 9.3915 10.2721 10.2721 10.4119 10.4119 11.4889 11.4889 11.8764 11.8764 12.1235 12.1235 13.8178 13.8178 14.0512 14.0512 16.1190 16.1190 16.2581 16.2581 k = 0.1513 0.0874 0.2471 ( 4315 PWs) bands (ev): -66.0508 -66.0508 -35.8285 -35.8285 -34.6261 -34.6261 -34.6257 -34.6257 3.3393 3.3393 7.7867 7.7867 8.0362 8.0362 8.2847 8.2847 8.2921 8.2921 8.4492 8.4492 9.1024 9.1024 9.1633 9.1633 9.2222 9.2222 9.3559 9.3559 9.4028 9.4028 10.2850 10.2850 10.4473 10.4473 11.4504 11.4504 11.8965 11.8965 12.1167 12.1167 13.9138 13.9138 14.1422 14.1422 16.1896 16.1896 16.3217 16.3217 k = 0.1447 0.0836 0.2364 ( 4317 PWs) bands (ev): -66.0510 -66.0510 -35.8285 -35.8285 -34.6260 -34.6260 -34.6257 -34.6257 3.2739 3.2739 7.8073 7.8073 8.0309 8.0309 8.2728 8.2728 8.2831 8.2831 8.4314 8.4314 9.1157 9.1157 9.1735 9.1735 9.2642 9.2642 9.3774 9.3774 9.4162 9.4162 10.3005 10.3005 10.4806 10.4806 11.4160 11.4160 11.9186 11.9186 12.1137 12.1137 14.0101 14.0101 14.2379 14.2379 16.2501 16.2501 16.3877 16.3877 k = 0.1382 0.0798 0.2256 ( 4317 PWs) bands (ev): -66.0510 -66.0510 -35.8285 -35.8285 -34.6260 -34.6260 -34.6257 -34.6257 3.2112 3.2112 7.8272 7.8272 8.0265 8.0265 8.2604 8.2604 8.2739 8.2739 8.4139 8.4139 9.1278 9.1278 9.1826 9.1826 9.2961 9.2961 9.4058 9.4058 9.4317 9.4317 10.3174 10.3174 10.5145 10.5145 11.3802 11.3802 11.9416 11.9416 12.1145 12.1145 14.1095 14.1095 14.3341 14.3341 16.2990 16.2990 16.4559 16.4559 k = 0.1316 0.0760 0.2149 ( 4315 PWs) bands (ev): -66.0508 -66.0508 -35.8284 -35.8284 -34.6260 -34.6260 -34.6257 -34.6257 3.1512 3.1512 7.8462 7.8462 8.0228 8.0228 8.2477 8.2477 8.2645 8.2645 8.3966 8.3966 9.1391 9.1391 9.1907 9.1907 9.3176 9.3176 9.4412 9.4412 9.4497 9.4497 10.3384 10.3384 10.5470 10.5470 11.3452 11.3452 11.9625 11.9625 12.1145 12.1145 14.2096 14.2096 14.4367 14.4367 16.3348 16.3348 16.5258 16.5258 k = 0.1250 0.0722 0.2041 ( 4323 PWs) bands (ev): -66.0516 -66.0516 -35.8284 -35.8284 -34.6259 -34.6259 -34.6257 -34.6257 3.0938 3.0938 7.8644 7.8644 8.0198 8.0198 8.2350 8.2350 8.2549 8.2549 8.3796 8.3796 9.1494 9.1494 9.1979 9.1979 9.3310 9.3310 9.4674 9.4674 9.4820 9.4820 10.3602 10.3602 10.5769 10.5769 11.3088 11.3088 11.9789 11.9789 12.1137 12.1137 14.3098 14.3098 14.5377 14.5377 16.3573 16.3573 16.5972 16.5972 k = 0.1184 0.0684 0.1934 ( 4305 PWs) bands (ev): -66.0496 -66.0496 -35.8284 -35.8284 -34.6259 -34.6259 -34.6256 -34.6256 3.0393 3.0393 7.8819 7.8819 8.0180 8.0180 8.2225 8.2225 8.2456 8.2456 8.3629 8.3629 9.1597 9.1597 9.2044 9.2044 9.3407 9.3407 9.4881 9.4881 9.5221 9.5221 10.3878 10.3878 10.6078 10.6078 11.2806 11.2806 12.0015 12.0015 12.1212 12.1212 14.4140 14.4140 14.6467 14.6467 16.3710 16.3710 16.6702 16.6702 k = 0.1118 0.0646 0.1826 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8284 -35.8284 -34.6258 -34.6258 -34.6256 -34.6256 2.9876 2.9876 7.8984 7.8984 8.0168 8.0168 8.2102 8.2102 8.2361 8.2361 8.3466 8.3466 9.1685 9.1685 9.2098 9.2098 9.3471 9.3471 9.5096 9.5096 9.5600 9.5600 10.4150 10.4150 10.6351 10.6351 11.2448 11.2448 12.0177 12.0177 12.1234 12.1234 14.5185 14.5185 14.7524 14.7524 16.3737 16.3737 16.7429 16.7429 k = 0.1053 0.0608 0.1719 ( 4305 PWs) bands (ev): -66.0496 -66.0496 -35.8283 -35.8283 -34.6258 -34.6258 -34.6256 -34.6256 2.9386 2.9386 7.9139 7.9139 8.0165 8.0165 8.1984 8.1984 8.2269 8.2269 8.3306 8.3306 9.1764 9.1764 9.2146 9.2146 9.3524 9.3524 9.5317 9.5317 9.5953 9.5953 10.4463 10.4463 10.6621 10.6621 11.2083 11.2083 12.0376 12.0376 12.1286 12.1286 14.6255 14.6255 14.8625 14.8625 16.3699 16.3699 16.8157 16.8157 k = 0.0987 0.0570 0.1612 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8283 -35.8283 -34.6258 -34.6258 -34.6256 -34.6256 2.8925 2.8925 7.9285 7.9285 8.0168 8.0168 8.1870 8.1870 8.2177 8.2177 8.3149 8.3149 9.1838 9.1838 9.2184 9.2184 9.3565 9.3565 9.5546 9.5546 9.6272 9.6272 10.4779 10.4779 10.6852 10.6852 11.1733 11.1733 12.0528 12.0528 12.1314 12.1314 14.7331 14.7331 14.9716 14.9716 16.3597 16.3597 16.8867 16.8867 k = 0.0921 0.0532 0.1504 ( 4311 PWs) bands (ev): -66.0502 -66.0502 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.8492 2.8492 7.9420 7.9420 8.0180 8.0180 8.1763 8.1763 8.2087 8.2087 8.2997 8.2997 9.1905 9.1905 9.2215 9.2215 9.3600 9.3600 9.5778 9.5778 9.6557 9.6557 10.5121 10.5121 10.7059 10.7059 11.1390 11.1390 12.0688 12.0688 12.1343 12.1343 14.8423 14.8423 15.0831 15.0831 16.3455 16.3455 16.9554 16.9554 k = 0.0855 0.0494 0.1397 ( 4315 PWs) bands (ev): -66.0507 -66.0507 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.8089 2.8089 7.9547 7.9547 8.0198 8.0198 8.1662 8.1662 8.2001 8.2001 8.2848 8.2848 9.1964 9.1964 9.2240 9.2240 9.3628 9.3628 9.6011 9.6011 9.6808 9.6808 10.5443 10.5443 10.7276 10.7276 11.1028 11.1028 12.0788 12.0788 12.1445 12.1445 14.9542 14.9542 15.1917 15.1917 16.3280 16.3280 17.0230 17.0230 k = 0.0789 0.0456 0.1289 ( 4323 PWs) bands (ev): -66.0516 -66.0516 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.7714 2.7714 7.9662 7.9662 8.0222 8.0222 8.1569 8.1569 8.1915 8.1915 8.2705 8.2705 9.2018 9.2018 9.2259 9.2259 9.3653 9.3653 9.6244 9.6244 9.7027 9.7027 10.5762 10.5762 10.7450 10.7450 11.0695 11.0695 12.0896 12.0896 12.1489 12.1489 15.0668 15.0668 15.3000 15.3000 16.3090 16.3090 17.0850 17.0850 k = 0.0724 0.0418 0.1182 ( 4323 PWs) bands (ev): -66.0516 -66.0516 -35.8283 -35.8283 -34.6257 -34.6257 -34.6256 -34.6256 2.7369 2.7369 7.9768 7.9768 8.0254 8.0254 8.1485 8.1485 8.1833 8.1833 8.2568 8.2568 9.2067 9.2067 9.2274 9.2274 9.3676 9.3676 9.6474 9.6474 9.7218 9.7218 10.6106 10.6106 10.7615 10.7615 11.0377 11.0377 12.1030 12.1030 12.1544 12.1544 15.1809 15.1809 15.4104 15.4104 16.2898 16.2898 17.1036 17.1036 k = 0.0658 0.0380 0.1074 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8283 -35.8283 -34.6256 -34.6256 -34.6255 -34.6255 2.7054 2.7054 7.9867 7.9867 8.0291 8.0291 8.1411 8.1411 8.1756 8.1756 8.2439 8.2439 9.2114 9.2114 9.2286 9.2286 9.3699 9.3699 9.6701 9.6701 9.7384 9.7384 10.6459 10.6459 10.7769 10.7769 11.0110 11.0110 12.1244 12.1244 12.1625 12.1625 15.2968 15.2968 15.5200 15.5200 16.2711 16.2711 17.0977 17.0977 k = 0.0592 0.0342 0.0967 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6768 2.6768 7.9957 7.9957 8.0328 8.0328 8.1347 8.1347 8.1679 8.1679 8.2316 8.2316 9.2152 9.2152 9.2293 9.2293 9.3717 9.3717 9.6919 9.6919 9.7524 9.7524 10.6786 10.6786 10.7874 10.7874 10.9826 10.9826 12.1383 12.1383 12.1673 12.1673 15.4115 15.4115 15.6254 15.6254 16.2522 16.2522 17.0968 17.0968 k = 0.0526 0.0304 0.0859 ( 4305 PWs) bands (ev): -66.0496 -66.0496 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6511 2.6511 8.0041 8.0041 8.0363 8.0363 8.1294 8.1294 8.1605 8.1605 8.2202 8.2202 9.2186 9.2186 9.2298 9.2298 9.3734 9.3734 9.7127 9.7127 9.7644 9.7644 10.7110 10.7110 10.7952 10.7952 10.9567 10.9567 12.1536 12.1536 12.1730 12.1730 15.5257 15.5257 15.7270 15.7270 16.2343 16.2343 17.1035 17.1035 k = 0.0461 0.0266 0.0752 ( 4305 PWs) bands (ev): -66.0497 -66.0497 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6285 2.6285 8.0119 8.0119 8.0395 8.0395 8.1251 8.1251 8.1532 8.1532 8.2096 8.2096 9.2214 9.2214 9.2301 9.2301 9.3748 9.3748 9.7320 9.7320 9.7745 9.7745 10.7389 10.7389 10.8048 10.8048 10.9316 10.9316 12.1628 12.1628 12.1780 12.1780 15.6389 15.6389 15.8209 15.8209 16.2176 16.2176 17.1172 17.1172 k = 0.0395 0.0228 0.0645 ( 4295 PWs) bands (ev): -66.0486 -66.0486 -35.8282 -35.8282 -34.6255 -34.6255 -34.6254 -34.6254 2.6089 2.6089 8.0193 8.0193 8.0422 8.0422 8.1220 8.1220 8.1463 8.1463 8.2002 8.2002 9.2240 9.2240 9.2306 9.2306 9.3763 9.3763 9.7497 9.7497 9.7828 9.7828 10.7664 10.7664 10.8168 10.8168 10.9097 10.9097 12.1734 12.1734 12.1844 12.1844 15.7495 15.7495 15.9072 15.9072 16.2026 16.2026 17.1407 17.1407 k = 0.0329 0.0190 0.0537 ( 4287 PWs) bands (ev): -66.0477 -66.0477 -35.8282 -35.8282 -34.6255 -34.6255 -34.6254 -34.6254 2.5923 2.5923 8.0264 8.0264 8.0443 8.0443 8.1200 8.1200 8.1396 8.1396 8.1920 8.1920 9.2261 9.2261 9.2308 9.2308 9.3775 9.3775 9.7655 9.7655 9.7896 9.7896 10.7892 10.7892 10.8248 10.8248 10.8902 10.8902 12.1862 12.1862 12.1904 12.1904 15.8543 15.8543 15.9825 15.9825 16.1897 16.1897 17.1724 17.1724 k = 0.0263 0.0152 0.0430 ( 4283 PWs) bands (ev): -66.0473 -66.0473 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5787 2.5787 8.0329 8.0329 8.0457 8.0457 8.1188 8.1188 8.1331 8.1331 8.1850 8.1850 9.2279 9.2279 9.2309 9.2309 9.3784 9.3784 9.7789 9.7789 9.7949 9.7949 10.8079 10.8079 10.8326 10.8326 10.8734 10.8734 12.1924 12.1924 12.1950 12.1950 15.9508 15.9508 16.0454 16.0454 16.1787 16.1787 17.2112 17.2112 k = 0.0197 0.0114 0.0322 ( 4283 PWs) bands (ev): -66.0474 -66.0474 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5681 2.5681 8.0386 8.0386 8.0467 8.0467 8.1182 8.1182 8.1272 8.1272 8.1795 8.1795 9.2291 9.2291 9.2308 9.2308 9.3791 9.3791 9.7897 9.7897 9.7990 9.7990 10.8223 10.8223 10.8367 10.8367 10.8600 10.8600 12.1968 12.1968 12.1976 12.1976 16.0345 16.0345 16.0948 16.0948 16.1700 16.1700 17.2533 17.2533 k = 0.0132 0.0076 0.0215 ( 4283 PWs) bands (ev): -66.0474 -66.0474 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5605 2.5605 8.0434 8.0434 8.0473 8.0473 8.1179 8.1179 8.1224 8.1224 8.1756 8.1756 9.2300 9.2300 9.2308 9.2308 9.3796 9.3796 9.7976 9.7976 9.8018 9.8018 10.8324 10.8324 10.8394 10.8394 10.8506 10.8506 12.1994 12.1994 12.2000 12.2000 16.1007 16.1007 16.1303 16.1303 16.1637 16.1637 17.2894 17.2894 k = 0.0066 0.0038 0.0107 ( 4283 PWs) bands (ev): -66.0474 -66.0474 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5560 2.5560 8.0465 8.0465 8.0476 8.0476 8.1179 8.1179 8.1191 8.1191 8.1731 8.1731 9.2306 9.2306 9.2307 9.2307 9.3799 9.3799 9.8025 9.8025 9.8035 9.8035 10.8380 10.8380 10.8402 10.8402 10.8463 10.8463 12.2006 12.2006 12.2019 12.2019 16.1436 16.1436 16.1515 16.1515 16.1600 16.1600 17.3064 17.3064 k = 0.0000 0.0000 0.0000 ( 4285 PWs) bands (ev): -66.0476 -66.0476 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5545 2.5545 8.0477 8.0477 8.0477 8.0477 8.1179 8.1179 8.1179 8.1179 8.1723 8.1723 9.2307 9.2307 9.2307 9.2307 9.3800 9.3800 9.8041 9.8041 9.8041 9.8041 10.8396 10.8396 10.8396 10.8396 10.8460 10.8460 12.2002 12.2002 12.2002 12.2002 16.1570 16.1570 16.1594 16.1594 16.1594 16.1594 17.3093 17.3093 k = 0.0000 0.0000 0.0000 ( 4285 PWs) bands (ev): -66.0476 -66.0476 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5545 2.5545 8.0477 8.0477 8.0477 8.0477 8.1179 8.1179 8.1179 8.1179 8.1723 8.1723 9.2307 9.2307 9.2307 9.2307 9.3800 9.3800 9.8041 9.8041 9.8041 9.8041 10.8396 10.8396 10.8396 10.8396 10.8460 10.8460 12.2002 12.2002 12.2002 12.2002 16.1570 16.1570 16.1594 16.1594 16.1594 16.1594 17.3093 17.3093 k = 0.0109 0.0063 0.0044 ( 4282 PWs) bands (ev): -66.0473 -66.0473 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5560 2.5560 8.0470 8.0470 8.0471 8.0471 8.1179 8.1179 8.1192 8.1192 8.1732 8.1732 9.2305 9.2305 9.2308 9.2308 9.3799 9.3799 9.8029 9.8029 9.8030 9.8030 10.8375 10.8375 10.8408 10.8408 10.8463 10.8463 12.2020 12.2020 12.2020 12.2020 16.1404 16.1404 16.1564 16.1564 16.1578 16.1578 17.3064 17.3064 k = 0.0217 0.0126 0.0089 ( 4282 PWs) bands (ev): -66.0473 -66.0473 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5607 2.5607 8.0450 8.0450 8.0455 8.0455 8.1175 8.1175 8.1230 8.1230 8.1756 8.1756 9.2300 9.2300 9.2308 9.2308 9.3796 9.3796 9.7995 9.7995 9.7998 9.7998 10.8290 10.8290 10.8442 10.8442 10.8491 10.8491 12.2004 12.2004 12.2005 12.2005 16.0883 16.0883 16.1520 16.1520 16.1530 16.1530 17.2893 17.2893 k = 0.0326 0.0188 0.0133 ( 4282 PWs) bands (ev): -66.0472 -66.0472 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5684 2.5684 8.0422 8.0422 8.0430 8.0430 8.1168 8.1168 8.1287 8.1287 8.1798 8.1798 9.2290 9.2290 9.2309 9.2309 9.3791 9.3791 9.7938 9.7938 9.7945 9.7945 10.8139 10.8139 10.8500 10.8500 10.8548 10.8548 12.1978 12.1978 12.1979 12.1979 16.0074 16.0074 16.1450 16.1450 16.1451 16.1451 17.2472 17.2472 k = 0.0435 0.0251 0.0177 ( 4282 PWs) bands (ev): -66.0472 -66.0472 -35.8281 -35.8281 -34.6254 -34.6254 -34.6254 -34.6254 2.5793 2.5793 8.0390 8.0390 8.0398 8.0398 8.1155 8.1155 8.1361 8.1361 8.1855 8.1855 9.2276 9.2276 9.2311 9.2311 9.3784 9.3784 9.7859 9.7859 9.7872 9.7872 10.7926 10.7926 10.8579 10.8579 10.8629 10.8629 12.1943 12.1943 12.1944 12.1944 15.9046 15.9046 16.1345 16.1345 16.1355 16.1355 17.1897 17.1897 k = 0.0543 0.0314 0.0222 ( 4282 PWs) bands (ev): -66.0471 -66.0471 -35.8282 -35.8282 -34.6254 -34.6254 -34.6254 -34.6254 2.5932 2.5932 8.0356 8.0356 8.0360 8.0360 8.1138 8.1138 8.1448 8.1448 8.1926 8.1926 9.2258 9.2258 9.2311 9.2311 9.3776 9.3776 9.7760 9.7760 9.7779 9.7779 10.7653 10.7653 10.8678 10.8678 10.8731 10.8731 12.1898 12.1898 12.1899 12.1899 15.7862 15.7862 16.1213 16.1213 16.1237 16.1237 17.1250 17.1250 k = 0.0652 0.0377 0.0266 ( 4294 PWs) bands (ev): -66.0485 -66.0485 -35.8282 -35.8282 -34.6255 -34.6255 -34.6254 -34.6254 2.6102 2.6102 8.0318 8.0318 8.0323 8.0323 8.1114 8.1114 8.1544 8.1544 8.2010 8.2010 9.2236 9.2236 9.2308 9.2308 9.3763 9.3763 9.7641 9.7641 9.7669 9.7669 10.7275 10.7275 10.8787 10.8787 10.8845 10.8845 12.1799 12.1799 12.1801 12.1801 15.6560 15.6560 16.1060 16.1060 16.1099 16.1099 17.0538 17.0538 k = 0.0761 0.0439 0.0311 ( 4306 PWs) bands (ev): -66.0498 -66.0498 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6302 2.6302 8.0271 8.0271 8.0292 8.0292 8.1087 8.1087 8.1649 8.1649 8.2106 8.2106 9.2208 9.2208 9.2303 9.2303 9.3748 9.3748 9.7505 9.7505 9.7543 9.7543 10.6844 10.6844 10.8897 10.8897 10.8959 10.8959 12.1713 12.1713 12.1716 12.1716 15.5186 15.5186 16.0888 16.0888 16.0943 16.0943 16.9814 16.9814 k = 0.0870 0.0502 0.0355 ( 4312 PWs) bands (ev): -66.0504 -66.0504 -35.8282 -35.8282 -34.6256 -34.6256 -34.6255 -34.6255 2.6534 2.6534 8.0220 8.0220 8.0265 8.0265 8.1057 8.1057 8.1761 8.1761 8.2211 8.2211 9.2177 9.2177 9.2299 9.2299 9.3735 9.3735 9.7353 9.7353 9.7401 9.7401 10.6396 10.6396 10.9037 10.9037 10.9105 10.9105 12.1612 12.1612 12.1616 12.1616 15.3785 15.3785 16.0700 16.0700 16.0773 16.0773 16.9108 16.9108 k = 0.0978 0.0565 0.0399 ( 4312 PWs) bands (ev): -66.0504 -66.0504 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.6796 2.6796 8.0164 8.0164 8.0244 8.0244 8.1027 8.1027 8.1880 8.1880 8.2325 8.2325 9.2143 9.2143 9.2294 9.2294 9.3722 9.3722 9.7187 9.7187 9.7247 9.7247 10.5932 10.5932 10.9191 10.9191 10.9264 10.9264 12.1517 12.1517 12.1521 12.1521 15.2388 15.2388 16.0502 16.0502 16.0591 16.0591 16.8419 16.8419 k = 0.1087 0.0628 0.0444 ( 4321 PWs) bands (ev): -66.0514 -66.0514 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.7089 2.7089 8.0102 8.0102 8.0226 8.0226 8.0997 8.0997 8.2003 8.2003 8.2446 8.2446 9.2104 9.2104 9.2284 9.2284 9.3706 9.3706 9.7007 9.7007 9.7080 9.7080 10.5388 10.5388 10.9344 10.9344 10.9425 10.9425 12.1386 12.1386 12.1391 12.1391 15.0978 15.0978 16.0291 16.0291 16.0397 16.0397 16.7717 16.7717 k = 0.1196 0.0690 0.0488 ( 4321 PWs) bands (ev): -66.0514 -66.0514 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.7412 2.7412 8.0033 8.0033 8.0215 8.0215 8.0971 8.0971 8.2133 8.2133 8.2574 8.2574 9.2061 9.2061 9.2271 9.2271 9.3690 9.3690 9.6817 9.6817 9.6904 9.6904 10.4793 10.4793 10.9529 10.9529 10.9617 10.9617 12.1286 12.1286 12.1294 12.1294 14.9577 14.9577 16.0076 16.0076 16.0198 16.0198 16.7023 16.7023 k = 0.1304 0.0753 0.0532 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.7765 2.7765 7.9955 7.9955 8.0212 8.0212 8.0954 8.0954 8.2269 8.2269 8.2709 8.2709 9.2017 9.2017 9.2254 9.2254 9.3674 9.3674 9.6617 9.6617 9.6720 9.6720 10.4150 10.4150 10.9738 10.9738 10.9834 10.9834 12.1247 12.1247 12.1258 12.1258 14.8197 14.8197 15.9862 15.9862 16.0000 16.0000 16.6337 16.6337 k = 0.1413 0.0816 0.0577 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8283 -35.8283 -34.6257 -34.6257 -34.6255 -34.6255 2.8149 2.8149 7.9865 7.9865 8.0213 8.0213 8.0940 8.0940 8.2406 8.2406 8.2848 8.2848 9.1968 9.1968 9.2229 9.2229 9.3653 9.3653 9.6409 9.6409 9.6528 9.6528 10.3429 10.3429 10.9949 10.9949 11.0054 11.0054 12.1154 12.1154 12.1168 12.1168 14.6813 14.6813 15.9645 15.9645 15.9796 15.9796 16.5649 16.5649 k = 0.1522 0.0879 0.0621 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8283 -35.8283 -34.6258 -34.6258 -34.6255 -34.6255 2.8562 2.8562 7.9762 7.9762 8.0221 8.0221 8.0935 8.0935 8.2549 8.2549 8.2992 8.2992 9.1913 9.1913 9.2199 9.2199 9.3631 9.3631 9.6194 9.6194 9.6329 9.6329 10.2686 10.2686 11.0150 11.0150 11.0264 11.0264 12.1063 12.1063 12.1080 12.1080 14.5473 14.5473 15.9426 15.9426 15.9589 15.9589 16.4982 16.4982 k = 0.1630 0.0941 0.0666 ( 4309 PWs) bands (ev): -66.0500 -66.0500 -35.8283 -35.8283 -34.6258 -34.6258 -34.6255 -34.6255 2.9004 2.9004 7.9644 7.9644 8.0235 8.0235 8.0939 8.0939 8.2694 8.2694 8.3140 8.3140 9.1854 9.1854 9.2162 9.2162 9.3607 9.3607 9.5972 9.5972 9.6125 9.6125 10.1907 10.1907 11.0352 11.0352 11.0476 11.0476 12.0974 12.0974 12.0995 12.0995 14.4166 14.4166 15.9207 15.9207 15.9380 15.9380 16.4332 16.4332 k = 0.1739 0.1004 0.0710 ( 4303 PWs) bands (ev): -66.0494 -66.0494 -35.8283 -35.8283 -34.6258 -34.6258 -34.6256 -34.6256 2.9476 2.9476 7.9510 7.9510 8.0255 8.0255 8.0953 8.0953 8.2843 8.2843 8.3291 8.3291 9.1792 9.1792 9.2120 9.2120 9.3581 9.3581 9.5747 9.5747 9.5918 9.5918 10.1121 10.1121 11.0556 11.0556 11.0691 11.0691 12.0904 12.0904 12.0929 12.0929 14.2921 14.2921 15.8990 15.8990 15.9170 15.9170 16.3709 16.3709 k = 0.1848 0.1067 0.0754 ( 4303 PWs) bands (ev): -66.0494 -66.0494 -35.8284 -35.8284 -34.6258 -34.6258 -34.6256 -34.6256 2.9977 2.9977 7.9356 7.9356 8.0281 8.0281 8.0976 8.0976 8.2994 8.2994 8.3446 8.3446 9.1724 9.1724 9.2069 9.2069 9.3549 9.3549 9.5517 9.5517 9.5707 9.5707 10.0286 10.0286 11.0755 11.0755 11.0902 11.0902 12.0823 12.0823 12.0853 12.0853 14.1685 14.1685 15.8774 15.8774 15.8960 15.8960 16.3094 16.3094 k = 0.1957 0.1130 0.0799 ( 4297 PWs) bands (ev): -66.0487 -66.0487 -35.8284 -35.8284 -34.6259 -34.6259 -34.6255 -34.6255 3.0507 3.0507 7.9182 7.9182 8.0313 8.0313 8.1009 8.1009 8.3148 8.3148 8.3604 8.3604 9.1655 9.1655 9.2013 9.2013 9.3512 9.3512 9.5285 9.5285 9.5496 9.5496 9.9436 9.9436 11.0974 11.0974 11.1135 11.1135 12.0757 12.0757 12.0794 12.0794 14.0488 14.0488 15.8571 15.8571 15.8760 15.8760 16.2499 16.2499 k = 0.2065 0.1192 0.0843 ( 4306 PWs) bands (ev): -66.0498 -66.0498 -35.8284 -35.8284 -34.6260 -34.6260 -34.6256 -34.6256 3.1065 3.1065 7.8984 7.8984 8.0350 8.0350 8.1049 8.1049 8.3303 8.3303 8.3763 8.3763 9.1579 9.1579 9.1947 9.1947 9.3464 9.3464 9.5049 9.5049 9.5282 9.5282 9.8550 9.8550 11.1163 11.1163 11.1338 11.1338 12.0656 12.0656 12.0699 12.0699 13.9288 13.9288 15.8359 15.8359 15.8548 15.8548 16.1918 16.1918 k = 0.2174 0.1255 0.0887 ( 4318 PWs) bands (ev): -66.0512 -66.0512 -35.8284 -35.8284 -34.6260 -34.6260 -34.6256 -34.6256 3.1651 3.1651 7.8758 7.8758 8.0391 8.0391 8.1097 8.1097 8.3458 8.3458 8.3924 8.3924 9.1495 9.1495 9.1872 9.1872 9.3407 9.3407 9.4809 9.4809 9.5067 9.5067 9.7683 9.7683 11.1311 11.1311 11.1503 11.1503 12.0574 12.0574 12.0626 12.0626 13.8138 13.8138 15.8128 15.8128 15.8313 15.8313 16.1364 16.1364 k = 0.2283 0.1318 0.0932 ( 4318 PWs) bands (ev): -66.0512 -66.0512 -35.8285 -35.8285 -34.6261 -34.6261 -34.6256 -34.6256 3.2266 3.2266 7.8502 7.8502 8.0440 8.0440 8.1156 8.1156 8.3617 8.3617 8.4087 8.4087 9.1410 9.1410 9.1789 9.1789 9.3340 9.3340 9.4562 9.4562 9.4853 9.4853 9.6846 9.6846 11.1480 11.1480 11.1689 11.1689 12.0534 12.0534 12.0594 12.0594 13.7054 13.7054 15.7920 15.7920 15.8098 15.8098 16.0835 16.0835 k = 0.2391 0.1381 0.0976 ( 4309 PWs) bands (ev): -66.0502 -66.0502 -35.8285 -35.8285 -34.6261 -34.6261 -34.6256 -34.6256 3.2908 3.2908 7.8211 7.8211 8.0495 8.0495 8.1224 8.1224 8.3777 8.3777 8.4251 8.4251 9.1322 9.1322 9.1699 9.1699 9.3257 9.3257 9.4296 9.4296 9.4641 9.4641 9.6070 9.6070 11.1648 11.1648 11.1874 11.1874 12.0534 12.0534 12.0603 12.0603 13.6049 13.6049 15.7723 15.7723 15.7890 15.7890 16.0333 16.0333 k = 0.2500 0.1443 0.1021 ( 4314 PWs) bands (ev): -66.0508 -66.0508 -35.8285 -35.8285 -34.6261 -34.6261 -34.6256 -34.6256 3.3577 3.3577 7.7879 7.7879 8.0552 8.0552 8.1297 8.1297 8.3937 8.3937 8.4416 8.4416 9.1228 9.1228 9.1596 9.1596 9.3155 9.3155 9.3981 9.3981 9.4430 9.4430 9.5366 9.5366 11.1789 11.1789 11.2034 11.2034 12.0484 12.0484 12.0564 12.0564 13.5057 13.5057 15.7515 15.7515 15.7667 15.7667 15.9851 15.9851 k = 0.2609 0.1506 0.1065 ( 4302 PWs) bands (ev): -66.0495 -66.0495 -35.8285 -35.8285 -34.6261 -34.6261 -34.6256 -34.6256 3.4273 3.4273 7.7501 7.7501 8.0617 8.0617 8.1380 8.1380 8.4098 8.4098 8.4581 8.4581 9.1133 9.1133 9.1481 9.1481 9.3032 9.3032 9.3575 9.3575 9.4223 9.4223 9.4821 9.4821 11.1932 11.1932 11.2197 11.2197 12.0532 12.0532 12.0624 12.0624 13.4139 13.4139 15.7320 15.7320 15.7452 15.7452 15.9393 15.9393 k = 0.2717 0.1569 0.1109 ( 4302 PWs) bands (ev): -66.0495 -66.0495 -35.8285 -35.8285 -34.6262 -34.6262 -34.6256 -34.6256 3.4995 3.4995 7.7072 7.7072 8.0684 8.0684 8.1468 8.1468 8.4260 8.4260 8.4746 8.4746 9.1032 9.1032 9.1343 9.1343 9.2877 9.2877 9.3067 9.3067 9.4017 9.4017 9.4438 9.4438 11.2050 11.2050 11.2335 11.2335 12.0553 12.0553 12.0657 12.0657 13.3220 13.3220 15.7119 15.7119 15.7227 15.7227 15.8955 15.8955 k = 0.2826 0.1632 0.1154 ( 4281 PWs) bands (ev): -66.0472 -66.0472 -35.8285 -35.8285 -34.6261 -34.6261 -34.6256 -34.6256 3.5743 3.5743 7.6585 7.6585 8.0758 8.0758 8.1565 8.1565 8.4423 8.4423 8.4912 8.4912 9.0931 9.0931 9.1173 9.1173 9.2496 9.2496 9.2743 9.2743 9.3817 9.3817 9.4191 9.4191 11.2194 11.2194 11.2500 11.2500 12.0657 12.0657 12.0773 12.0773 13.2389 13.2389 15.6945 15.6945 15.7023 15.7023 15.8543 15.8543 k = 0.2935 0.1694 0.1198 ( 4284 PWs) bands (ev): -66.0476 -66.0476 -35.8285 -35.8285 -34.6262 -34.6262 -34.6256 -34.6256 3.6515 3.6515 7.6036 7.6036 8.0832 8.0832 8.1665 8.1665 8.4584 8.4584 8.5075 8.5075 9.0822 9.0822 9.0932 9.0932 9.2004 9.2004 9.2554 9.2554 9.3620 9.3620 9.4001 9.4001 11.2280 11.2280 11.2607 11.2607 12.0710 12.0710 12.0839 12.0839 13.1521 13.1521 15.6743 15.6743 15.6788 15.6788 15.8149 15.8149 k = 0.3043 0.1757 0.1242 ( 4284 PWs) bands (ev): -66.0476 -66.0476 -35.8285 -35.8285 -34.6262 -34.6262 -34.6256 -34.6256 3.7311 3.7311 7.5423 7.5423 8.0909 8.0909 8.1770 8.1770 8.4745 8.4745 8.5236 8.5236 9.0600 9.0600 9.0709 9.0709 9.1635 9.1635 9.2358 9.2358 9.3428 9.3428 9.3852 9.3852 11.2352 11.2352 11.2700 11.2700 12.0783 12.0783 12.0924 12.0924 13.0725 13.0725 15.6542 15.6542 15.6547 15.6547 15.7780 15.7780 k = 0.3152 0.1820 0.1287 ( 4278 PWs) bands (ev): -66.0470 -66.0470 -35.8286 -35.8286 -34.6262 -34.6262 -34.6256 -34.6256 3.8132 3.8132 7.4745 7.4745 8.0990 8.0990 8.1881 8.1881 8.4906 8.4906 8.5395 8.5395 9.0205 9.0205 9.0593 9.0593 9.1382 9.1382 9.2153 9.2153 9.3241 9.3241 9.3725 9.3725 11.2414 11.2414 11.2781 11.2781 12.0902 12.0902 12.1055 12.1055 12.9984 12.9984 15.6304 15.6304 15.6341 15.6341 15.7434 15.7434 k = 0.3261 0.1883 0.1331 ( 4278 PWs) bands (ev): -66.0470 -66.0470 -35.8286 -35.8286 -34.6263 -34.6263 -34.6256 -34.6256 3.8974 3.8974 7.4000 7.4000 8.1071 8.1071 8.1994 8.1994 8.5065 8.5065 8.5550 8.5550 8.9800 8.9800 9.0474 9.0474 9.1192 9.1192 9.1943 9.1943 9.3061 9.3061 9.3608 9.3608 11.2458 11.2458 11.2846 11.2846 12.1004 12.1004 12.1169 12.1169 12.9272 12.9272 15.6053 15.6053 15.6138 15.6138 15.7110 15.7110 k = 0.3370 0.1945 0.1376 ( 4275 PWs) bands (ev): -66.0467 -66.0467 -35.8286 -35.8286 -34.6263 -34.6263 -34.6256 -34.6256 3.9839 3.9839 7.3193 7.3193 8.1154 8.1154 8.2112 8.2112 8.5224 8.5224 8.5702 8.5702 8.9427 8.9427 9.0352 9.0352 9.1032 9.1032 9.1731 9.1731 9.2887 9.2887 9.3497 9.3497 11.2500 11.2500 11.2906 11.2906 12.1127 12.1127 12.1303 12.1303 12.8606 12.8606 15.5800 15.5800 15.5936 15.5936 15.6808 15.6808 k = 0.3478 0.2008 0.1420 ( 4293 PWs) bands (ev): -66.0487 -66.0487 -35.8286 -35.8286 -34.6264 -34.6264 -34.6257 -34.6257 4.0723 4.0723 7.2328 7.2328 8.1233 8.1233 8.2227 8.2227 8.5379 8.5379 8.5846 8.5846 8.9095 8.9095 9.0222 9.0222 9.0882 9.0882 9.1517 9.1517 9.2719 9.2719 9.3390 9.3390 11.2465 11.2465 11.2891 11.2891 12.1224 12.1224 12.1411 12.1411 12.7933 12.7933 15.5517 15.5517 15.5704 15.5704 15.6526 15.6526 k = 0.3587 0.2071 0.1464 ( 4299 PWs) bands (ev): -66.0494 -66.0494 -35.8287 -35.8287 -34.6264 -34.6264 -34.6257 -34.6257 4.1627 4.1627 7.1409 7.1409 8.1314 8.1314 8.2346 8.2346 8.5534 8.5534 8.5985 8.5985 8.8818 8.8818 9.0094 9.0094 9.0742 9.0742 9.1307 9.1307 9.2561 9.2561 9.3284 9.3284 11.2478 11.2478 11.2921 11.2921 12.1340 12.1340 12.1538 12.1538 12.7296 12.7296 15.5259 15.5259 15.5501 15.5501 15.6265 15.6265 k = 0.3696 0.2134 0.1509 ( 4299 PWs) bands (ev): -66.0494 -66.0494 -35.8287 -35.8287 -34.6265 -34.6265 -34.6257 -34.6257 4.2548 4.2548 7.0448 7.0448 8.1394 8.1394 8.2467 8.2467 8.5687 8.5687 8.6116 8.6116 8.8602 8.8602 8.9966 8.9966 9.0605 9.0605 9.1102 9.1102 9.2411 9.2411 9.3180 9.3180 11.2484 11.2484 11.2943 11.2943 12.1475 12.1475 12.1683 12.1683 12.6754 12.6754 15.5003 15.5003 15.5300 15.5300 15.6026 15.6026 k = 0.3804 0.2196 0.1553 ( 4296 PWs) bands (ev): -66.0491 -66.0491 -35.8287 -35.8287 -34.6265 -34.6265 -34.6257 -34.6257 4.3485 4.3485 6.9452 6.9452 8.1473 8.1473 8.2586 8.2586 8.5837 8.5837 8.6237 8.6237 8.8442 8.8442 8.9837 8.9837 9.0469 9.0469 9.0905 9.0905 9.2270 9.2270 9.3078 9.3078 11.2484 11.2484 11.2957 11.2957 12.1615 12.1615 12.1833 12.1833 12.6291 12.6291 15.4750 15.4750 15.5102 15.5102 15.5808 15.5808 k = 0.3913 0.2259 0.1597 ( 4305 PWs) bands (ev): -66.0501 -66.0501 -35.8287 -35.8287 -34.6266 -34.6266 -34.6257 -34.6257 4.4434 4.4434 6.8425 6.8425 8.1546 8.1546 8.2702 8.2702 8.5984 8.5984 8.6347 8.6347 8.8321 8.8321 8.9708 8.9708 9.0330 9.0330 9.0719 9.0719 9.2138 9.2138 9.2978 9.2978 11.2477 11.2477 11.2964 11.2964 12.1715 12.1715 12.1944 12.1944 12.5785 12.5785 15.4503 15.4503 15.4908 15.4908 15.5609 15.5609 k = 0.4022 0.2322 0.1642 ( 4305 PWs) bands (ev): -66.0501 -66.0501 -35.8287 -35.8287 -34.6266 -34.6266 -34.6257 -34.6257 4.5393 4.5393 6.7381 6.7381 8.1618 8.1618 8.2816 8.2816 8.6127 8.6127 8.6444 8.6444 8.8252 8.8252 8.9580 8.9580 9.0187 9.0187 9.0546 9.0546 9.2018 9.2018 9.2880 9.2880 11.2469 11.2469 11.2968 11.2968 12.1847 12.1847 12.2086 12.2086 12.5374 12.5374 15.4266 15.4266 15.4721 15.4721 15.5430 15.5430 k = 0.4130 0.2385 0.1686 ( 4311 PWs) bands (ev): -66.0507 -66.0507 -35.8288 -35.8288 -34.6266 -34.6266 -34.6257 -34.6257 4.6356 4.6356 6.6328 6.6328 8.1683 8.1683 8.2922 8.2922 8.6265 8.6265 8.6529 8.6529 8.8223 8.8223 8.9453 8.9453 9.0040 9.0040 9.0390 9.0390 9.1907 9.1907 9.2786 9.2786 11.2449 11.2449 11.2961 11.2961 12.1939 12.1939 12.2189 12.2189 12.5006 12.5006 15.4042 15.4042 15.4543 15.4543 15.5270 15.5270 k = 0.4239 0.2447 0.1731 ( 4299 PWs) bands (ev): -66.0494 -66.0494 -35.8287 -35.8287 -34.6266 -34.6266 -34.6257 -34.6257 4.7319 4.7319 6.5277 6.5277 8.1747 8.1747 8.3026 8.3026 8.6397 8.6397 8.6602 8.6602 8.8229 8.8229 8.9336 8.9336 8.9891 8.9891 9.0252 9.0252 9.1809 9.1809 9.2697 9.2697 11.2459 11.2459 11.2981 11.2981 12.2121 12.2121 12.2385 12.2385 12.4673 12.4673 15.3840 15.3840 15.4383 15.4383 15.5130 15.5130 k = 0.4348 0.2510 0.1775 ( 4299 PWs) bands (ev): -66.0494 -66.0494 -35.8288 -35.8288 -34.6266 -34.6266 -34.6257 -34.6257 4.8270 4.8270 6.4242 6.4242 8.1803 8.1803 8.3120 8.3120 8.6521 8.6521 8.6663 8.6663 8.8265 8.8265 8.9219 8.9219 8.9738 8.9738 9.0132 9.0132 9.1722 9.1722 9.2615 9.2615 11.2446 11.2446 11.2977 11.2977 12.2224 12.2224 12.2499 12.2499 12.4398 12.4398 15.3651 15.3651 15.4231 15.4231 15.5009 15.5009 k = 0.4457 0.2573 0.1819 ( 4311 PWs) bands (ev): -66.0507 -66.0507 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 4.9197 4.9197 6.3237 6.3237 8.1851 8.1851 8.3202 8.3202 8.6635 8.6635 8.6709 8.6709 8.8323 8.8323 8.9106 8.9106 8.9582 8.9582 9.0029 9.0029 9.1648 9.1648 9.2542 9.2542 11.2412 11.2412 11.2949 11.2949 12.2276 12.2276 12.2564 12.2564 12.4117 12.4117 15.3482 15.3482 15.4095 15.4095 15.4907 15.4907 k = 0.4565 0.2636 0.1864 ( 4299 PWs) bands (ev): -66.0494 -66.0494 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.0079 5.0079 6.2290 6.2290 8.1893 8.1893 8.3275 8.3275 8.6738 8.6738 8.6752 8.6752 8.8402 8.8402 8.9014 8.9014 8.9437 8.9437 8.9944 8.9944 9.1586 9.1586 9.2479 9.2479 11.2438 11.2438 11.2981 11.2981 12.2366 12.2366 12.2668 12.2668 12.3968 12.3968 15.3345 15.3345 15.3984 15.3984 15.4824 15.4824 k = 0.4674 0.2698 0.1908 ( 4311 PWs) bands (ev): -66.0508 -66.0508 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.0880 5.0880 6.1433 6.1433 8.1921 8.1921 8.3327 8.3327 8.6781 8.6781 8.6823 8.6823 8.8492 8.8492 8.8931 8.8931 8.9294 8.9294 8.9875 8.9875 9.1538 9.1538 9.2428 9.2428 11.2416 11.2416 11.2965 11.2965 12.2353 12.2353 12.2668 12.2668 12.3812 12.3812 15.3233 15.3233 15.3893 15.3893 15.4759 15.4759 k = 0.4783 0.2761 0.1952 ( 4314 PWs) bands (ev): -66.0511 -66.0511 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.1547 5.1547 6.0725 6.0725 8.1944 8.1944 8.3369 8.3369 8.6801 8.6801 8.6889 8.6889 8.8587 8.8587 8.8867 8.8867 8.9161 8.9161 8.9826 8.9826 9.1503 9.1503 9.2390 9.2390 11.2409 11.2409 11.2961 11.2961 12.2386 12.2386 12.2715 12.2715 12.3676 12.3676 15.3152 15.3152 15.3826 15.3826 15.4713 15.4713 k = 0.4891 0.2824 0.1997 ( 4314 PWs) bands (ev): -66.0511 -66.0511 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2004 5.2004 6.0244 6.0244 8.1958 8.1958 8.3394 8.3394 8.6815 8.6815 8.6930 8.6930 8.8679 8.8679 8.8827 8.8827 8.9050 8.9050 8.9795 8.9795 9.1482 9.1482 9.2367 9.2367 11.2405 11.2405 11.2959 11.2959 12.2407 12.2407 12.2745 12.2745 12.3618 12.3618 15.3103 15.3103 15.3786 15.3786 15.4686 15.4686 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -66.0511 -66.0511 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2169 5.2169 6.0070 6.0070 8.1963 8.1963 8.3403 8.3403 8.6819 8.6819 8.6944 8.6944 8.8726 8.8726 8.8813 8.8813 8.8996 8.8996 8.9785 8.9785 9.1475 9.1475 9.2360 9.2360 11.2403 11.2403 11.2958 11.2958 12.2414 12.2414 12.2755 12.2755 12.3599 12.3599 15.3086 15.3086 15.3772 15.3772 15.4677 15.4677 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -66.0511 -66.0511 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2169 5.2169 6.0070 6.0070 8.1963 8.1963 8.3403 8.3403 8.6819 8.6819 8.6944 8.6944 8.8726 8.8726 8.8813 8.8813 8.8996 8.8996 8.9785 8.9785 9.1475 9.1475 9.2360 9.2360 11.2403 11.2403 11.2958 11.2958 12.2414 12.2414 12.2755 12.2755 12.3599 12.3599 15.3086 15.3086 15.3772 15.3772 15.4677 15.4677 k = 0.5038 0.2777 0.2103 ( 4316 PWs) bands (ev): -66.0514 -66.0514 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2179 5.2179 6.0083 6.0083 8.1960 8.1960 8.3397 8.3397 8.6770 8.6770 8.6983 8.6983 8.8652 8.8652 8.8854 8.8854 8.9038 8.9038 8.9788 8.9788 9.1477 9.1477 9.2364 9.2364 11.2389 11.2389 11.2944 11.2944 12.2405 12.2405 12.2746 12.2746 12.3587 12.3587 15.2871 15.2871 15.3546 15.3546 15.4602 15.4602 k = 0.5076 0.2668 0.2165 ( 4322 PWs) bands (ev): -66.0520 -66.0520 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2208 5.2208 6.0122 6.0122 8.1948 8.1948 8.3381 8.3381 8.6678 8.6678 8.7045 8.7045 8.8543 8.8543 8.8881 8.8881 8.9144 8.9144 8.9797 8.9797 9.1481 9.1481 9.2378 9.2378 11.2344 11.2344 11.2901 11.2901 12.2382 12.2382 12.2725 12.2725 12.3550 12.3550 15.2206 15.2206 15.2926 15.2926 15.4515 15.4515 k = 0.5114 0.2559 0.2227 ( 4316 PWs) bands (ev): -66.0513 -66.0513 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2257 5.2257 6.0186 6.0186 8.1928 8.1928 8.3360 8.3360 8.6571 8.6571 8.7104 8.7104 8.8440 8.8440 8.8902 8.8902 8.9278 8.9278 8.9812 8.9812 9.1489 9.1489 9.2401 9.2401 11.2311 11.2311 11.2880 11.2880 12.2376 12.2376 12.2721 12.2721 12.3533 12.3533 15.1135 15.1135 15.2121 15.2121 15.4491 15.4491 k = 0.5152 0.2449 0.2289 ( 4302 PWs) bands (ev): -66.0498 -66.0498 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2325 5.2325 6.0277 6.0277 8.1898 8.1898 8.3337 8.3337 8.6454 8.6454 8.7156 8.7156 8.8349 8.8349 8.8926 8.8926 8.9419 8.9419 8.9834 8.9834 9.1500 9.1500 9.2433 9.2433 11.2254 11.2254 11.2869 11.2869 12.2397 12.2397 12.2749 12.2749 12.3520 12.3520 14.9821 14.9821 15.1230 15.1230 15.4509 15.4509 k = 0.5189 0.2340 0.2351 ( 4304 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2412 5.2412 6.0392 6.0392 8.1844 8.1844 8.3311 8.3311 8.6323 8.6323 8.7197 8.7197 8.8271 8.8271 8.8949 8.8949 8.9555 8.9555 8.9865 8.9865 9.1514 9.1514 9.2473 9.2473 11.2134 11.2134 11.2822 11.2822 12.2356 12.2356 12.2709 12.2709 12.3464 12.3464 14.8382 14.8382 15.0270 15.0270 15.4550 15.4550 k = 0.5227 0.2231 0.2412 ( 4306 PWs) bands (ev): -66.0502 -66.0502 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2518 5.2518 6.0533 6.0533 8.1767 8.1767 8.3293 8.3293 8.6183 8.6183 8.7229 8.7229 8.8208 8.8208 8.8977 8.8977 8.9679 8.9679 8.9910 8.9910 9.1533 9.1533 9.2522 9.2522 11.1990 11.1990 11.2782 11.2782 12.2283 12.2283 12.2639 12.2639 12.3411 12.3411 14.6902 14.6902 14.9273 14.9273 15.4606 15.4606 k = 0.5265 0.2121 0.2474 ( 4304 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2644 5.2644 6.0698 6.0698 8.1663 8.1663 8.3288 8.3288 8.6033 8.6033 8.7252 8.7252 8.8163 8.8163 8.9013 8.9013 8.9774 8.9774 8.9983 8.9983 9.1558 9.1558 9.2578 9.2578 11.1817 11.1817 11.2743 11.2743 12.2220 12.2220 12.2587 12.2587 12.3359 12.3359 14.5411 14.5411 14.8253 14.8253 15.4675 15.4675 k = 0.5303 0.2012 0.2536 ( 4310 PWs) bands (ev): -66.0507 -66.0507 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2788 5.2788 6.0887 6.0887 8.1524 8.1524 8.3298 8.3298 8.5875 8.5875 8.7264 8.7264 8.8134 8.8134 8.9054 8.9054 8.9837 8.9837 9.0083 9.0083 9.1588 9.1588 9.2642 9.2642 11.1589 11.1589 11.2699 11.2699 12.2104 12.2104 12.2490 12.2490 12.3295 12.3295 14.3916 14.3916 14.7223 14.7223 15.4748 15.4748 k = 0.5341 0.1903 0.2598 ( 4314 PWs) bands (ev): -66.0512 -66.0512 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2951 5.2951 6.1100 6.1100 8.1353 8.1353 8.3327 8.3327 8.5708 8.5708 8.7266 8.7266 8.8123 8.8123 8.9100 8.9100 8.9881 8.9881 9.0197 9.0197 9.1624 9.1624 9.2711 9.2711 11.1321 11.1321 11.2664 11.2664 12.1984 12.1984 12.2415 12.2415 12.3223 12.3223 14.2442 14.2442 14.6194 14.6194 15.4824 15.4824 k = 0.5379 0.1793 0.2660 ( 4312 PWs) bands (ev): -66.0510 -66.0510 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.3132 5.3132 6.1338 6.1338 8.1151 8.1151 8.3376 8.3376 8.5534 8.5534 8.7260 8.7260 8.8128 8.8128 8.9153 8.9153 8.9919 8.9919 9.0310 9.0310 9.1668 9.1668 9.2787 9.2787 11.1035 11.1035 11.2635 11.2635 12.1851 12.1851 12.2359 12.2359 12.3179 12.3179 14.1013 14.1013 14.5175 14.5175 15.4904 15.4904 k = 0.5417 0.1684 0.2722 ( 4316 PWs) bands (ev): -66.0514 -66.0514 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.3330 5.3330 6.1599 6.1599 8.0917 8.0917 8.3439 8.3439 8.5353 8.5353 8.7247 8.7247 8.8147 8.8147 8.9209 8.9209 8.9954 8.9954 9.0416 9.0416 9.1718 9.1718 9.2868 9.2868 11.0714 11.0714 11.2588 11.2588 12.1654 12.1654 12.2276 12.2276 12.3148 12.3148 13.9621 13.9621 14.4154 14.4154 15.4984 15.4984 k = 0.5455 0.1575 0.2784 ( 4311 PWs) bands (ev): -66.0509 -66.0509 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.3547 5.3547 6.1883 6.1883 8.0655 8.0655 8.3520 8.3520 8.5167 8.5167 8.7229 8.7229 8.8179 8.8179 8.9269 8.9269 8.9992 8.9992 9.0514 9.0514 9.1777 9.1777 9.2953 9.2953 11.0365 11.0365 11.2562 11.2562 12.1490 12.1490 12.2236 12.2236 12.3124 12.3124 13.8286 13.8286 14.3158 14.3158 15.5066 15.5066 k = 0.5492 0.1465 0.2845 ( 4313 PWs) bands (ev): -66.0511 -66.0511 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.3781 5.3781 6.2188 6.2188 8.0365 8.0365 8.3613 8.3613 8.4976 8.4976 8.7208 8.7208 8.8221 8.8221 8.9331 8.9331 9.0032 9.0032 9.0602 9.0602 9.1842 9.1842 9.3042 9.3042 10.9986 10.9986 11.2520 11.2520 12.1248 12.1248 12.2165 12.2165 12.3106 12.3106 13.7005 13.7005 14.2167 14.2167 15.5142 15.5142 k = 0.5530 0.1356 0.2907 ( 4307 PWs) bands (ev): -66.0505 -66.0505 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.4031 5.4031 6.2513 6.2513 8.0053 8.0053 8.3716 8.3716 8.4783 8.4783 8.7184 8.7184 8.8272 8.8272 8.9393 8.9393 9.0080 9.0080 9.0682 9.0682 9.1912 9.1912 9.3134 9.3134 10.9596 10.9596 11.2502 11.2502 12.0991 12.0991 12.2101 12.2101 12.3116 12.3116 13.5820 13.5820 14.1206 14.1206 15.5219 15.5219 k = 0.5568 0.1247 0.2969 ( 4303 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.4298 5.4298 6.2859 6.2859 7.9719 7.9719 8.3824 8.3824 8.4593 8.4593 8.7159 8.7159 8.8329 8.8329 8.9451 8.9451 9.0133 9.0133 9.0753 9.0753 9.1986 9.1986 9.3229 9.3229 10.9178 10.9178 11.2463 11.2463 12.0718 12.0718 12.2041 12.2041 12.3128 12.3128 13.4695 13.4695 14.0251 14.0251 15.5300 15.5300 k = 0.5606 0.1137 0.3031 ( 4303 PWs) bands (ev): -66.0500 -66.0500 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.4581 5.4581 6.3224 6.3224 7.9361 7.9361 8.3923 8.3923 8.4415 8.4415 8.7132 8.7132 8.8391 8.8391 8.9504 8.9504 9.0195 9.0195 9.0817 9.0817 9.2062 9.2062 9.3324 9.3324 10.8728 10.8728 11.2409 11.2409 12.0406 12.0406 12.1975 12.1975 12.3147 12.3147 13.3648 13.3648 13.9304 13.9304 15.5365 15.5365 k = 0.5644 0.1028 0.3093 ( 4301 PWs) bands (ev): -66.0498 -66.0498 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.4878 5.4878 6.3607 6.3607 7.8983 7.8983 8.3957 8.3957 8.4307 8.4307 8.7107 8.7107 8.8456 8.8456 8.9552 8.9552 9.0269 9.0269 9.0879 9.0879 9.2137 9.2137 9.3418 9.3418 10.8259 10.8259 11.2371 11.2371 12.0066 12.0066 12.1919 12.1919 12.3165 12.3165 13.2687 13.2687 13.8387 13.8387 15.5421 15.5421 k = 0.5682 0.0919 0.3155 ( 4305 PWs) bands (ev): -66.0503 -66.0503 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5189 5.5189 6.4005 6.4005 7.8581 7.8581 8.3844 8.3844 8.4350 8.4350 8.7081 8.7081 8.8524 8.8524 8.9593 8.9593 9.0350 9.0350 9.0938 9.0938 9.2211 9.2211 9.3511 9.3511 10.7762 10.7762 11.2315 11.2315 11.9701 11.9701 12.1842 12.1842 12.3204 12.3204 13.1770 13.1770 13.7481 13.7481 15.5460 15.5460 k = 0.5720 0.0809 0.3217 ( 4303 PWs) bands (ev): -66.0500 -66.0500 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5513 5.5513 6.4418 6.4418 7.8162 7.8162 8.3659 8.3659 8.4473 8.4473 8.7057 8.7057 8.8593 8.8593 8.9626 8.9626 9.0443 9.0443 9.0999 9.0999 9.2281 9.2281 9.3601 9.3601 10.7263 10.7263 11.2261 11.2261 11.9339 11.9339 12.1797 12.1797 12.3250 12.3250 13.0951 13.0951 13.6600 13.6600 15.5504 15.5504 k = 0.5758 0.0700 0.3278 ( 4301 PWs) bands (ev): -66.0498 -66.0498 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5850 5.5850 6.4843 6.4843 7.7724 7.7724 8.3455 8.3455 8.4619 8.4619 8.7033 8.7033 8.8662 8.8662 8.9653 8.9653 9.0543 9.0543 9.1064 9.1064 9.2348 9.2348 9.3687 9.3687 10.6760 10.6760 11.2200 11.2200 11.8966 11.8966 12.1758 12.1758 12.3299 12.3299 13.0219 13.0219 13.5737 13.5737 15.5542 15.5542 k = 0.5795 0.0590 0.3340 ( 4306 PWs) bands (ev): -66.0504 -66.0504 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.6197 5.6197 6.5278 6.5278 7.7268 7.7268 8.3246 8.3246 8.4775 8.4775 8.7011 8.7011 8.8730 8.8730 8.9674 8.9674 9.0647 9.0647 9.1135 9.1135 9.2409 9.2409 9.3766 9.3766 10.6250 10.6250 11.2118 11.2118 11.8578 11.8578 12.1721 12.1721 12.3331 12.3331 12.9523 12.9523 13.4879 13.4879 15.5567 15.5567 k = 0.5833 0.0481 0.3402 ( 4291 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6260 -34.6260 5.6554 5.6554 6.5721 6.5721 7.6798 7.6798 8.3037 8.3037 8.4939 8.4939 8.6993 8.6993 8.8795 8.8795 8.9691 8.9691 9.0761 9.0761 9.1218 9.1218 9.2467 9.2467 9.3837 9.3837 10.5755 10.5755 11.2069 11.2069 11.8235 11.8235 12.1739 12.1739 12.3458 12.3458 12.8933 12.8933 13.4084 13.4084 15.5606 15.5606 k = 0.5871 0.0372 0.3464 ( 4297 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.6918 5.6918 6.6163 6.6163 7.6313 7.6313 8.2828 8.2828 8.5104 8.5104 8.6974 8.6974 8.8854 8.8854 8.9701 8.9701 9.0871 9.0871 9.1311 9.1311 9.2519 9.2519 9.3897 9.3897 10.5268 10.5268 11.1981 11.1981 11.7861 11.7861 12.1691 12.1691 12.3515 12.3515 12.8341 12.8341 13.3276 13.3276 15.5622 15.5622 k = 0.5909 0.0262 0.3526 ( 4297 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 5.7287 5.7287 6.6601 6.6601 7.5824 7.5824 8.2624 8.2624 8.5268 8.5268 8.6960 8.6960 8.8907 8.8907 8.9710 8.9710 9.0981 9.0981 9.1418 9.1418 9.2567 9.2567 9.3944 9.3944 10.4809 10.4809 11.1885 11.1885 11.7501 11.7501 12.1672 12.1672 12.3587 12.3587 12.7863 12.7863 13.2487 13.2487 15.5641 15.5641 k = 0.5947 0.0153 0.3588 ( 4294 PWs) bands (ev): -66.0491 -66.0491 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 5.7659 5.7659 6.7028 6.7028 7.5335 7.5335 8.2426 8.2426 8.5431 8.5431 8.6952 8.6952 8.8951 8.8951 8.9718 8.9718 9.1089 9.1089 9.1542 9.1542 9.2612 9.2612 9.3978 9.3978 10.4380 10.4380 11.1795 11.1795 11.7164 11.7164 12.1673 12.1673 12.3662 12.3662 12.7439 12.7439 13.1735 13.1735 15.5654 15.5654 k = 0.5985 0.0044 0.3649 ( 4292 PWs) bands (ev): -66.0489 -66.0489 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8031 5.8031 6.7431 6.7431 7.4856 7.4856 8.2236 8.2236 8.5590 8.5590 8.6950 8.6950 8.8985 8.8985 8.9725 8.9725 9.1195 9.1195 9.1679 9.1679 9.2655 9.2655 9.3996 9.3996 10.3987 10.3987 11.1698 11.1698 11.6837 11.6837 12.1686 12.1686 12.3746 12.3746 12.7049 12.7049 13.1008 13.1008 15.5661 15.5661 k = 0.6023-0.0066 0.3711 ( 4293 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8398 5.8398 6.7796 6.7796 7.4404 7.4404 8.2054 8.2054 8.5738 8.5738 8.6956 8.6956 8.9007 8.9007 8.9731 8.9731 9.1299 9.1299 9.1827 9.1827 9.2699 9.2699 9.3997 9.3997 10.3637 10.3637 11.1590 11.1590 11.6502 11.6502 12.1694 12.1694 12.3852 12.3852 12.6703 12.6703 13.0303 13.0303 15.5647 15.5647 k = 0.6061-0.0175 0.3773 ( 4289 PWs) bands (ev): -66.0486 -66.0486 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8756 5.8756 6.8099 6.8099 7.4005 7.4005 8.1886 8.1886 8.5874 8.5874 8.6977 8.6977 8.9017 8.9017 8.9739 8.9739 9.1402 9.1402 9.1983 9.1983 9.2747 9.2747 9.3984 9.3984 10.3338 10.3338 11.1484 11.1484 11.6218 11.6218 12.1742 12.1742 12.3932 12.3932 12.6408 12.6408 12.9637 12.9637 15.5649 15.5649 k = 0.6098-0.0284 0.3835 ( 4283 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9098 5.9098 6.8314 6.8314 7.3693 7.3693 8.1731 8.1731 8.5990 8.5990 8.7013 8.7013 8.9014 8.9014 8.9744 8.9744 9.1503 9.1503 9.2140 9.2140 9.2805 9.2805 9.3960 9.3960 10.3094 10.3094 11.1365 11.1365 11.5970 11.5970 12.1781 12.1781 12.4020 12.4020 12.6187 12.6187 12.8992 12.8992 15.5657 15.5657 k = 0.6136-0.0394 0.3897 ( 4287 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9414 5.9414 6.8411 6.8411 7.3496 7.3496 8.1591 8.1591 8.6080 8.6080 8.7067 8.7067 8.8999 8.8999 8.9745 8.9745 9.1598 9.1598 9.2292 9.2292 9.2877 9.2877 9.3929 9.3929 10.2905 10.2905 11.1236 11.1236 11.5706 11.5706 12.1807 12.1807 12.4016 12.4016 12.6021 12.6021 12.8371 12.8371 15.5645 15.5645 k = 0.6174-0.0503 0.3959 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9693 5.9693 6.8378 6.8378 7.3444 7.3444 8.1469 8.1469 8.6145 8.6145 8.7142 8.7142 8.8974 8.8974 8.9743 8.9743 9.1685 9.1685 9.2433 9.2433 9.2972 9.2972 9.3901 9.3901 10.2774 10.2774 11.1103 11.1103 11.5473 11.5473 12.1863 12.1863 12.4012 12.4012 12.5932 12.5932 12.7794 12.7794 15.5640 15.5640 k = 0.6212-0.0612 0.4021 ( 4286 PWs) bands (ev): -66.0483 -66.0483 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9920 5.9920 6.8226 6.8226 7.3533 7.3533 8.1366 8.1366 8.6184 8.6184 8.7233 8.7233 8.8941 8.8941 8.9735 8.9735 9.1757 9.1757 9.2562 9.2562 9.3087 9.3087 9.3890 9.3890 10.2699 10.2699 11.0961 11.0961 11.5259 11.5259 12.1915 12.1915 12.3956 12.3956 12.5898 12.5898 12.7251 12.7251 15.5629 15.5629 k = 0.6250-0.0722 0.4082 ( 4300 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6262 -34.6262 6.0072 6.0072 6.7997 6.7997 7.3739 7.3739 8.1281 8.1281 8.6200 8.6200 8.7332 8.7332 8.8901 8.8901 8.9717 8.9717 9.1806 9.1806 9.2683 9.2683 9.3205 9.3205 9.3918 9.3918 10.2678 10.2678 11.0796 11.0796 11.5014 11.5014 12.1931 12.1931 12.3871 12.3871 12.5873 12.5873 12.6719 12.6719 15.5589 15.5589 k = 0.6250-0.0722 0.4082 ( 4300 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6262 -34.6262 6.0072 6.0072 6.7997 6.7997 7.3739 7.3739 8.1281 8.1281 8.6200 8.6200 8.7332 8.7332 8.8901 8.8901 8.9717 8.9717 9.1806 9.1806 9.2683 9.2683 9.3205 9.3205 9.3918 9.3918 10.2678 10.2678 11.0796 11.0796 11.5014 11.5014 12.1931 12.1931 12.3871 12.3871 12.5873 12.5873 12.6719 12.6719 15.5589 15.5589 k = 0.6184-0.0684 0.4190 ( 4290 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0079 6.0079 6.8007 6.8007 7.3738 7.3738 8.1278 8.1278 8.6206 8.6206 8.7340 8.7340 8.8902 8.8902 8.9718 8.9718 9.1788 9.1788 9.2658 9.2658 9.3214 9.3214 9.3948 9.3948 10.2679 10.2679 11.0709 11.0709 11.5115 11.5115 12.1960 12.1960 12.3881 12.3881 12.5845 12.5845 12.6775 12.6775 15.5719 15.5719 k = 0.6118-0.0646 0.4297 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0099 6.0099 6.8037 6.8037 7.3732 7.3732 8.1264 8.1264 8.6222 8.6222 8.7361 8.7361 8.8904 8.8904 8.9718 8.9718 9.1734 9.1734 9.2596 9.2596 9.3232 9.3232 9.4032 9.4032 10.2678 10.2678 11.0424 11.0424 11.5338 11.5338 12.1941 12.1941 12.3888 12.3888 12.5702 12.5702 12.6822 12.6822 15.6054 15.6054 k = 0.6053-0.0608 0.4405 ( 4283 PWs) bands (ev): -66.0480 -66.0480 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0130 6.0130 6.8085 6.8085 7.3720 7.3720 8.1244 8.1244 8.6249 8.6249 8.7397 8.7397 8.8907 8.8907 8.9717 8.9717 9.1646 9.1646 9.2519 9.2519 9.3244 9.3244 9.4158 9.4158 10.2678 10.2678 11.0006 11.0006 11.5649 11.5649 12.1972 12.1972 12.3872 12.3872 12.5478 12.5478 12.6887 12.6887 15.6606 15.6606 k = 0.5987-0.0570 0.4512 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0173 6.0173 6.8153 6.8153 7.3700 7.3700 8.1213 8.1213 8.6285 8.6285 8.7445 8.7445 8.8909 8.8909 8.9714 8.9714 9.1531 9.1531 9.2440 9.2440 9.3245 9.3245 9.4313 9.4313 10.2678 10.2678 10.9486 10.9486 11.5986 11.5986 12.1949 12.1949 12.3849 12.3849 12.5209 12.5209 12.6930 12.6930 15.7336 15.7336 k = 0.5921-0.0532 0.4620 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0227 6.0227 6.8240 6.8240 7.3674 7.3674 8.1175 8.1175 8.6330 8.6330 8.7507 8.7507 8.8912 8.8912 8.9707 8.9707 9.1398 9.1398 9.2364 9.2364 9.3237 9.3237 9.4484 9.4484 10.2677 10.2677 10.8911 10.8911 11.6356 11.6356 12.1906 12.1906 12.3822 12.3822 12.4916 12.4916 12.6978 12.6978 15.8262 15.8262 k = 0.5855-0.0494 0.4727 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0293 6.0293 6.8346 6.8346 7.3638 7.3638 8.1128 8.1128 8.6384 8.6384 8.7581 8.7581 8.8916 8.8916 8.9698 8.9698 9.1257 9.1257 9.2289 9.2289 9.3221 9.3221 9.4661 9.4661 10.2676 10.2676 10.8283 10.8283 11.6744 11.6744 12.1869 12.1869 12.3790 12.3790 12.4622 12.4622 12.6987 12.6987 15.9355 15.9355 k = 0.5789-0.0456 0.4835 ( 4280 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0369 6.0369 6.8471 6.8471 7.3594 7.3594 8.1076 8.1076 8.6446 8.6446 8.7666 8.7666 8.8922 8.8922 8.9685 8.9685 9.1117 9.1117 9.2212 9.2212 9.3199 9.3199 9.4838 9.4838 10.2674 10.2674 10.7637 10.7637 11.7164 11.7164 12.1835 12.1835 12.3740 12.3740 12.4334 12.4334 12.7004 12.7004 16.0627 16.0627 k = 0.5724-0.0418 0.4942 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0454 6.0454 6.8615 6.8615 7.3535 7.3535 8.1014 8.1014 8.6516 8.6516 8.7759 8.7759 8.8928 8.8928 8.9665 8.9665 9.0985 9.0985 9.2131 9.2131 9.3173 9.3173 9.5008 9.5008 10.2673 10.2673 10.6977 10.6977 11.7550 11.7550 12.1774 12.1774 12.3655 12.3655 12.4064 12.4064 12.6984 12.6984 16.2011 16.2011 k = 0.5658-0.0380 0.5049 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0548 6.0548 6.8777 6.8777 7.3461 7.3461 8.0946 8.0946 8.6592 8.6592 8.7855 8.7855 8.8938 8.8938 8.9641 8.9641 9.0869 9.0869 9.2042 9.2042 9.3144 9.3144 9.5167 9.5167 10.2670 10.2670 10.6326 10.6326 11.7931 11.7931 12.1726 12.1726 12.3521 12.3521 12.3862 12.3862 12.6953 12.6953 16.3517 16.3517 k = 0.5592-0.0342 0.5157 ( 4286 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0648 6.0648 6.8957 6.8957 7.3369 7.3369 8.0874 8.0874 8.6674 8.6674 8.7946 8.7946 8.8953 8.8953 8.9614 8.9614 9.0772 9.0772 9.1944 9.1944 9.3112 9.3112 9.5310 9.5310 10.2667 10.2667 10.5694 10.5694 11.8292 11.8292 12.1659 12.1659 12.3306 12.3306 12.3726 12.3726 12.6900 12.6900 16.5129 16.5129 k = 0.5526-0.0304 0.5264 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0753 6.0753 6.9156 6.9156 7.3255 7.3255 8.0799 8.0799 8.6763 8.6763 8.8025 8.8025 8.8981 8.8981 8.9590 8.9590 9.0697 9.0697 9.1838 9.1838 9.3079 9.3079 9.5434 9.5434 10.2663 10.2663 10.5100 10.5100 11.8665 11.8665 12.1630 12.1630 12.3070 12.3070 12.3649 12.3649 12.6877 12.6877 16.6839 16.6839 k = 0.5461-0.0266 0.5372 ( 4282 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0861 6.0861 6.9371 6.9371 7.3117 7.3117 8.0722 8.0722 8.6856 8.6856 8.8077 8.8077 8.9025 8.9025 8.9573 8.9573 9.0642 9.0642 9.1721 9.1721 9.3045 9.3045 9.5533 9.5533 10.2656 10.2656 10.4556 10.4556 11.9013 11.9013 12.1564 12.1564 12.2849 12.2849 12.3584 12.3584 12.6823 12.6823 16.8633 16.8633 k = 0.5395-0.0228 0.5479 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0969 6.0969 6.9604 6.9604 7.2951 7.2951 8.0646 8.0646 8.6953 8.6953 8.8092 8.8092 8.9087 8.9087 8.9573 8.9573 9.0603 9.0603 9.1592 9.1592 9.3012 9.3012 9.5607 9.5607 10.2646 10.2646 10.4074 10.4074 11.9327 11.9327 12.1466 12.1466 12.2602 12.2602 12.3517 12.3517 12.6743 12.6743 17.0492 17.0492 k = 0.5329-0.0190 0.5587 ( 4289 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1075 6.1075 6.9854 6.9854 7.2757 7.2757 8.0575 8.0575 8.7055 8.7055 8.8069 8.8069 8.9160 8.9160 8.9604 8.9604 9.0581 9.0581 9.1456 9.1456 9.2981 9.2981 9.5653 9.5653 10.2631 10.2631 10.3670 10.3670 11.9637 11.9637 12.1395 12.1395 12.2426 12.2426 12.3465 12.3465 12.6693 12.6693 17.2416 17.2416 k = 0.5263-0.0152 0.5694 ( 4289 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1174 6.1174 7.0119 7.0119 7.2532 7.2532 8.0512 8.0512 8.7159 8.7159 8.8015 8.8015 8.9223 8.9223 8.9673 8.9673 9.0569 9.0569 9.1313 9.1313 9.2953 9.2953 9.5673 9.5673 10.2606 10.2606 10.3353 10.3353 11.9930 11.9930 12.1311 12.1311 12.2273 12.2273 12.3416 12.3416 12.6638 12.6638 17.4389 17.4389 k = 0.5197-0.0114 0.5801 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6266 -34.6266 -34.6263 -34.6263 6.1263 6.1263 7.0399 7.0399 7.2278 7.2278 8.0458 8.0458 8.7266 8.7266 8.7937 8.7937 8.9269 8.9269 8.9775 8.9775 9.0569 9.0569 9.1169 9.1169 9.2929 9.2929 9.5672 9.5672 10.2567 10.2567 10.3130 10.3130 12.0194 12.0194 12.1197 12.1197 12.2135 12.2135 12.3398 12.3398 12.6588 12.6588 17.6391 17.6391 k = 0.5132-0.0076 0.5909 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1336 6.1336 7.0694 7.0694 7.1996 7.1996 8.0418 8.0418 8.7372 8.7372 8.7847 8.7847 8.9299 8.9299 8.9888 8.9888 9.0576 9.0576 9.1035 9.1035 9.2910 9.2910 9.5657 9.5657 10.2520 10.2520 10.2998 10.2998 12.0428 12.0428 12.1130 12.1130 12.2082 12.2082 12.3363 12.3363 12.6571 12.6571 17.8392 17.8392 k = 0.5066-0.0038 0.6016 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1385 6.1385 7.0995 7.0995 7.1698 7.1698 8.0392 8.0392 8.7471 8.7471 8.7755 8.7755 8.9317 8.9317 8.9975 8.9975 9.0589 9.0589 9.0929 9.0929 9.2898 9.2898 9.5639 9.5639 10.2480 10.2480 10.2935 10.2935 12.0606 12.0606 12.1034 12.1034 12.2022 12.2022 12.3337 12.3337 12.6553 12.6553 18.0339 18.0339 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1404 6.1404 7.1217 7.1217 7.1475 7.1475 8.0383 8.0383 8.7526 8.7526 8.7702 8.7702 8.9324 8.9324 9.0008 9.0008 9.0598 9.0598 9.0886 9.0886 9.2894 9.2894 9.5630 9.5630 10.2465 10.2465 10.2918 10.2918 12.0674 12.0674 12.0994 12.0994 12.2004 12.2004 12.3329 12.3329 12.6542 12.6542 18.1916 18.1916 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1404 6.1404 7.1217 7.1217 7.1475 7.1475 8.0383 8.0383 8.7526 8.7526 8.7702 8.7702 8.9324 8.9324 9.0008 9.0008 9.0598 9.0598 9.0886 9.0886 9.2894 9.2894 9.5630 9.5630 10.2465 10.2465 10.2918 10.2918 12.0674 12.0674 12.0994 12.0994 12.2004 12.2004 12.3329 12.3329 12.6542 12.6542 18.1916 18.1916 k = 0.5000 0.0076 0.6016 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1370 6.1370 7.1214 7.1214 7.1481 7.1481 8.0402 8.0402 8.7525 8.7525 8.7696 8.7696 8.9301 8.9301 8.9955 8.9955 9.0588 9.0588 9.0964 9.0964 9.2893 9.2893 9.5616 9.5616 10.2493 10.2493 10.2950 10.2950 12.0657 12.0657 12.0976 12.0976 12.2043 12.2043 12.3347 12.3347 12.6563 12.6563 18.0901 18.0901 k = 0.5000 0.0152 0.5909 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6265 -34.6265 -34.6262 -34.6262 6.1269 6.1269 7.1159 7.1159 7.1543 7.1543 8.0458 8.0458 8.7519 8.7519 8.7680 8.7680 8.9229 8.9229 8.9845 8.9845 9.0575 9.0575 9.1138 9.1138 9.2889 9.2889 9.5573 9.5573 10.2578 10.2578 10.3048 10.3048 12.0599 12.0599 12.0943 12.0943 12.2141 12.2141 12.3406 12.3406 12.6619 12.6619 17.9749 17.9749 k = 0.5000 0.0228 0.5801 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.1105 6.1105 7.1014 7.1014 7.1697 7.1697 8.0549 8.0549 8.7507 8.7507 8.7652 8.7652 8.9100 8.9100 8.9747 8.9747 9.0566 9.0566 9.1337 9.1337 9.2882 9.2882 9.5504 9.5504 10.2713 10.2713 10.3213 10.3213 12.0499 12.0499 12.0912 12.0912 12.2254 12.2254 12.3496 12.3496 12.6689 12.6689 17.8601 17.8601 k = 0.5000 0.0304 0.5694 ( 4286 PWs) bands (ev): -66.0483 -66.0483 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0889 6.0889 7.0795 7.0795 7.1928 7.1928 8.0669 8.0669 8.7478 8.7478 8.7617 8.7617 8.8934 8.8934 8.9682 8.9682 9.0559 9.0559 9.1533 9.1533 9.2874 9.2874 9.5413 9.5413 10.2891 10.2891 10.3448 10.3448 12.0365 12.0365 12.0926 12.0926 12.2402 12.2402 12.3648 12.3648 12.6826 12.6826 17.7469 17.7469 k = 0.5000 0.0380 0.5587 ( 4292 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0625 6.0625 7.0516 7.0516 7.2216 7.2216 8.0815 8.0815 8.7413 8.7413 8.7586 8.7586 8.8761 8.8761 8.9640 8.9640 9.0552 9.0552 9.1708 9.1708 9.2865 9.2865 9.5302 9.5302 10.3105 10.3105 10.3751 10.3751 12.0182 12.0182 12.0926 12.0926 12.2502 12.2502 12.3847 12.3847 12.6990 12.6990 17.6350 17.6350 k = 0.5000 0.0456 0.5479 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 6.0325 6.0325 7.0191 7.0191 7.2552 7.2552 8.0982 8.0982 8.7301 8.7301 8.7568 8.7568 8.8607 8.8607 8.9613 8.9613 9.0547 9.0547 9.1853 9.1853 9.2857 9.2857 9.5178 9.5178 10.3351 10.3351 10.4124 10.4124 12.0050 12.0050 12.0976 12.0976 12.2575 12.2575 12.4133 12.4133 12.7230 12.7230 17.5258 17.5258 k = 0.5000 0.0532 0.5372 ( 4296 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 5.9994 5.9994 6.9826 6.9826 7.2920 7.2920 8.1164 8.1164 8.7143 8.7143 8.7556 8.7556 8.8483 8.8483 8.9591 8.9591 9.0538 9.0538 9.1962 9.1962 9.2850 9.2850 9.5043 9.5043 10.3618 10.3618 10.4557 10.4557 11.9916 11.9916 12.0967 12.0967 12.2622 12.2622 12.4432 12.4432 12.7451 12.7451 17.4170 17.4170 k = 0.5000 0.0608 0.5264 ( 4294 PWs) bands (ev): -66.0492 -66.0492 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 5.9641 5.9641 6.9429 6.9429 7.3321 7.3321 8.1359 8.1359 8.6952 8.6952 8.7548 8.7548 8.8392 8.8392 8.9573 8.9573 9.0530 9.0530 9.2032 9.2032 9.2846 9.2846 9.4903 9.4903 10.3911 10.3911 10.5046 10.5046 11.9827 11.9827 12.1002 12.1002 12.2666 12.2666 12.4791 12.4791 12.7767 12.7767 17.3113 17.3113 k = 0.5000 0.0684 0.5157 ( 4290 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 5.9273 5.9273 6.9006 6.9006 7.3745 7.3745 8.1563 8.1563 8.6737 8.6737 8.7541 8.7541 8.8326 8.8326 8.9558 8.9558 9.0522 9.0522 9.2065 9.2065 9.2843 9.2843 9.4762 9.4762 10.4225 10.4225 10.5579 10.5579 11.9740 11.9740 12.1061 12.1061 12.2700 12.2700 12.5188 12.5188 12.8154 12.8154 17.2080 17.2080 k = 0.5000 0.0760 0.5049 ( 4294 PWs) bands (ev): -66.0492 -66.0492 -35.8289 -35.8289 -34.6266 -34.6266 -34.6262 -34.6262 5.8892 5.8892 6.8566 6.8566 7.4181 7.4181 8.1771 8.1771 8.6509 8.6509 8.7534 8.7534 8.8279 8.8279 8.9543 8.9543 9.0510 9.0510 9.2063 9.2063 9.2838 9.2838 9.4620 9.4620 10.4552 10.4552 10.6145 10.6145 11.9647 11.9647 12.1100 12.1100 12.2728 12.2728 12.5612 12.5612 12.8524 12.8524 17.1054 17.1054 k = 0.5000 0.0836 0.4942 ( 4294 PWs) bands (ev): -66.0492 -66.0492 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8507 5.8507 6.8112 6.8112 7.4628 7.4628 8.1982 8.1982 8.6276 8.6276 8.7527 8.7527 8.8245 8.8245 8.9529 8.9529 9.0497 9.0497 9.2032 9.2032 9.2827 9.2827 9.4483 9.4483 10.4894 10.4894 10.6734 10.6734 11.9595 11.9595 12.1155 12.1155 12.2765 12.2765 12.6075 12.6075 12.8959 12.8959 17.0049 17.0049 k = 0.5000 0.0912 0.4835 ( 4292 PWs) bands (ev): -66.0489 -66.0489 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8118 5.8118 6.7649 6.7649 7.5083 7.5083 8.2196 8.2196 8.6044 8.6044 8.7519 8.7519 8.8219 8.8219 8.9516 8.9516 9.0482 9.0482 9.1977 9.1977 9.2807 9.2807 9.4351 9.4351 10.5250 10.5250 10.7338 10.7338 11.9576 11.9576 12.1187 12.1187 12.2814 12.2814 12.6604 12.6604 12.9446 12.9446 16.9067 16.9067 k = 0.5000 0.0988 0.4727 ( 4298 PWs) bands (ev): -66.0496 -66.0496 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.7730 5.7730 6.7181 6.7181 7.5538 7.5538 8.2410 8.2410 8.5813 8.5813 8.7510 8.7510 8.8198 8.8198 8.9503 8.9503 9.0462 9.0462 9.1904 9.1904 9.2776 9.2776 9.4225 9.4225 10.5614 10.5614 10.7931 10.7931 11.9572 11.9572 12.1228 12.1228 12.2828 12.2828 12.7122 12.7122 12.9957 12.9957 16.8102 16.8102 k = 0.5000 0.1064 0.4620 ( 4296 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.7345 5.7345 6.6712 6.6712 7.5995 7.5995 8.2624 8.2624 8.5589 8.5589 8.7501 8.7501 8.8181 8.8181 8.9490 8.9490 9.0444 9.0444 9.1818 9.1818 9.2734 9.2734 9.4106 9.4106 10.5992 10.5992 10.8520 10.8520 11.9602 11.9602 12.1290 12.1290 12.2853 12.2853 12.7730 12.7730 13.0545 13.0545 16.7166 16.7166 k = 0.5000 0.1140 0.4512 ( 4302 PWs) bands (ev): -66.0500 -66.0500 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 5.6966 5.6966 6.6244 6.6244 7.6448 7.6448 8.2837 8.2837 8.5372 8.5372 8.7491 8.7491 8.8166 8.8166 8.9476 8.9476 9.0420 9.0420 9.1722 9.1722 9.2679 9.2679 9.3993 9.3993 10.6371 10.6371 10.9076 10.9076 11.9654 11.9654 12.1347 12.1347 12.2854 12.2854 12.8344 12.8344 13.1150 13.1150 16.6247 16.6247 k = 0.5000 0.1215 0.4405 ( 4304 PWs) bands (ev): -66.0502 -66.0502 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 5.6594 5.6594 6.5782 6.5782 7.6896 7.6896 8.3047 8.3047 8.5164 8.5164 8.7479 8.7479 8.8152 8.8152 8.9462 8.9462 9.0394 9.0394 9.1620 9.1620 9.2615 9.2615 9.3885 9.3885 10.6760 10.6760 10.9599 10.9599 11.9746 11.9746 12.1406 12.1406 12.2868 12.2868 12.9034 12.9034 13.1817 13.1817 16.5355 16.5355 k = 0.5000 0.1291 0.4297 ( 4304 PWs) bands (ev): -66.0502 -66.0502 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.6231 5.6231 6.5328 6.5328 7.7336 7.7336 8.3254 8.3254 8.4968 8.4968 8.7468 8.7468 8.8140 8.8140 8.9447 8.9447 9.0367 9.0367 9.1515 9.1515 9.2542 9.2542 9.3782 9.3782 10.7150 10.7150 11.0088 11.0088 11.9870 11.9870 12.1473 12.1473 12.2888 12.2888 12.9800 12.9800 13.2523 13.2523 16.4485 16.4485 k = 0.5000 0.1367 0.4190 ( 4306 PWs) bands (ev): -66.0504 -66.0504 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5878 5.5878 6.4881 6.4881 7.7768 7.7768 8.3455 8.3455 8.4785 8.4785 8.7455 8.7455 8.8128 8.8128 8.9430 8.9430 9.0336 9.0336 9.1408 9.1408 9.2461 9.2461 9.3683 9.3683 10.7552 10.7552 11.0531 11.0531 12.0000 12.0000 12.1521 12.1521 12.2894 12.2894 13.0619 13.0619 13.3297 13.3297 16.3647 16.3647 k = 0.5000 0.1443 0.4082 ( 4318 PWs) bands (ev): -66.0517 -66.0517 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5537 5.5537 6.4449 6.4449 7.8181 7.8181 8.3645 8.3645 8.4619 8.4619 8.7441 8.7441 8.8116 8.8116 8.9410 8.9410 9.0300 9.0300 9.1300 9.1300 9.2374 9.2374 9.3585 9.3585 10.7923 10.7923 11.0904 11.0904 12.0163 12.0163 12.1568 12.1568 12.2895 12.2895 13.1480 13.1480 13.4027 13.4027 16.2820 16.2820 k = 0.5000 0.1519 0.3975 ( 4306 PWs) bands (ev): -66.0504 -66.0504 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5210 5.5210 6.4031 6.4031 7.8588 7.8588 8.3813 8.3813 8.4488 8.4488 8.7429 8.7429 8.8107 8.8107 8.9389 8.9389 9.0266 9.0266 9.1197 9.1197 9.2286 9.2286 9.3490 9.3490 10.8320 10.8320 11.1270 11.1270 12.0372 12.0372 12.1704 12.1704 12.2935 12.2935 13.2468 13.2468 13.4890 13.4890 16.2034 16.2034 k = 0.5000 0.1595 0.3868 ( 4306 PWs) bands (ev): -66.0504 -66.0504 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.4896 5.4896 6.3629 6.3629 7.8978 7.8978 8.3919 8.3919 8.4425 8.4425 8.7415 8.7415 8.8097 8.8097 8.9363 8.9363 9.0227 9.0227 9.1094 9.1094 9.2195 9.2195 9.3396 9.3396 10.8709 10.8709 11.1552 11.1552 12.0593 12.0593 12.1769 12.1769 12.2965 12.2965 13.3476 13.3476 13.5777 13.5777 16.1273 16.1273 k = 0.5000 0.1671 0.3760 ( 4302 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.4596 5.4596 6.3243 6.3243 7.9352 7.9352 8.3914 8.3914 8.4484 8.4484 8.7401 8.7401 8.8088 8.8088 8.9334 8.9334 9.0186 9.0186 9.0993 9.0993 9.2105 9.2105 9.3303 9.3303 10.9092 10.9092 11.1796 11.1796 12.0838 12.0838 12.1847 12.1847 12.3007 12.3007 13.4554 13.4554 13.6711 13.6711 16.0543 16.0543 k = 0.5000 0.1747 0.3653 ( 4304 PWs) bands (ev): -66.0502 -66.0502 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.4311 5.4311 6.2875 6.2875 7.9707 7.9707 8.3830 8.3830 8.4628 8.4628 8.7387 8.7387 8.8080 8.8080 8.9301 8.9301 9.0146 9.0146 9.0891 9.0891 9.2017 9.2017 9.3212 9.3212 10.9468 10.9468 11.1993 11.1993 12.1056 12.1056 12.1907 12.1907 12.3017 12.3017 13.5693 13.5693 13.7680 13.7680 15.9845 15.9845 k = 0.5000 0.1823 0.3545 ( 4304 PWs) bands (ev): -66.0502 -66.0502 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.4042 5.4042 6.2527 6.2527 8.0042 8.0042 8.3726 8.3726 8.4802 8.4802 8.7374 8.7374 8.8074 8.8074 8.9265 8.9265 9.0105 9.0105 9.0788 9.0788 9.1934 9.1934 9.3122 9.3122 10.9828 10.9828 11.2160 11.2160 12.1267 12.1267 12.1986 12.1986 12.3043 12.3043 13.6890 13.6890 13.8692 13.8692 15.9178 15.9178 k = 0.5000 0.1899 0.3438 ( 4304 PWs) bands (ev): -66.0501 -66.0501 -35.8288 -35.8288 -34.6267 -34.6267 -34.6258 -34.6258 5.3790 5.3790 6.2199 6.2199 8.0356 8.0356 8.3623 8.3623 8.4984 8.4984 8.7360 8.7360 8.8069 8.8069 8.9227 8.9227 9.0066 9.0066 9.0681 9.0681 9.1856 9.1856 9.3034 9.3034 11.0175 11.0175 11.2295 11.2295 12.1466 12.1466 12.2068 12.2068 12.3073 12.3073 13.8139 13.8139 13.9745 13.9745 15.8545 15.8545 k = 0.5000 0.1975 0.3330 ( 4308 PWs) bands (ev): -66.0506 -66.0506 -35.8288 -35.8288 -34.6267 -34.6267 -34.6258 -34.6258 5.3555 5.3555 6.1893 6.1893 8.0646 8.0646 8.3529 8.3529 8.5168 8.5168 8.7347 8.7347 8.8067 8.8067 8.9185 8.9185 9.0026 9.0026 9.0569 9.0569 9.1786 9.1786 9.2948 9.2948 11.0496 11.0496 11.2385 11.2385 12.1635 12.1635 12.2152 12.2152 12.3109 12.3109 13.9418 13.9418 14.0833 14.0833 15.7947 15.7947 k = 0.5000 0.2051 0.3223 ( 4304 PWs) bands (ev): -66.0501 -66.0501 -35.8288 -35.8288 -34.6267 -34.6267 -34.6258 -34.6258 5.3337 5.3337 6.1608 6.1608 8.0910 8.0910 8.3448 8.3448 8.5351 8.5351 8.7334 8.7334 8.8070 8.8070 8.9145 8.9145 8.9988 8.9988 9.0453 9.0453 9.1725 9.1725 9.2865 9.2865 11.0812 11.0812 11.2492 11.2492 12.1810 12.1810 12.2246 12.2246 12.3154 12.3154 14.0755 14.0755 14.1967 14.1967 15.7389 15.7389 k = 0.5000 0.2127 0.3116 ( 4302 PWs) bands (ev): -66.0499 -66.0499 -35.8288 -35.8288 -34.6267 -34.6267 -34.6258 -34.6258 5.3137 5.3137 6.1346 6.1346 8.1146 8.1146 8.3381 8.3381 8.5530 8.5530 8.7321 8.7321 8.8079 8.8079 8.9105 8.9105 8.9950 8.9950 9.0332 9.0332 9.1672 9.1672 9.2786 9.2786 11.1118 11.1118 11.2564 11.2564 12.1951 12.1951 12.2339 12.2339 12.3195 12.3195 14.2113 14.2113 14.3148 14.3148 15.6874 15.6874 k = 0.5000 0.2203 0.3008 ( 4304 PWs) bands (ev): -66.0501 -66.0501 -35.8288 -35.8288 -34.6267 -34.6267 -34.6258 -34.6258 5.2955 5.2955 6.1106 6.1106 8.1350 8.1350 8.3331 8.3331 8.5703 8.5703 8.7305 8.7305 8.8095 8.8095 8.9066 8.9066 8.9909 8.9909 9.0207 9.0207 9.1627 9.1627 9.2711 9.2711 11.1385 11.1385 11.2624 11.2624 12.2053 12.2053 12.2415 12.2415 12.3241 12.3241 14.3489 14.3489 14.4353 14.4353 15.6399 15.6399 k = 0.5000 0.2279 0.2901 ( 4296 PWs) bands (ev): -66.0491 -66.0491 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2791 5.2791 6.0892 6.0892 8.1524 8.1524 8.3303 8.3303 8.5871 8.5871 8.7288 8.7288 8.8121 8.8121 8.9032 8.9032 8.9863 8.9863 9.0085 9.0085 9.1589 9.1589 9.2642 9.2642 11.1639 11.1639 11.2692 11.2692 12.2170 12.2170 12.2532 12.2532 12.3315 12.3315 14.4878 14.4878 14.5601 14.5601 15.5970 15.5970 k = 0.5000 0.2355 0.2793 ( 4300 PWs) bands (ev): -66.0496 -66.0496 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2646 5.2646 6.0701 6.0701 8.1661 8.1661 8.3290 8.3290 8.6030 8.6030 8.7264 8.7264 8.8156 8.8156 8.8999 8.8999 8.9795 8.9795 8.9979 8.9979 9.1559 9.1559 9.2579 9.2579 11.1831 11.1831 11.2741 11.2741 12.2236 12.2236 12.2591 12.2591 12.3369 12.3369 14.6248 14.6248 14.6859 14.6859 15.5585 15.5585 k = 0.5000 0.2431 0.2686 ( 4308 PWs) bands (ev): -66.0505 -66.0505 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2520 5.2520 6.0535 6.0535 8.1765 8.1765 8.3292 8.3292 8.6180 8.6180 8.7235 8.7235 8.8205 8.8205 8.8969 8.8969 8.9692 8.9692 8.9907 8.9907 9.1534 9.1534 9.2523 9.2523 11.1996 11.1996 11.2765 11.2765 12.2274 12.2274 12.2626 12.2626 12.3411 12.3411 14.7589 14.7589 14.8141 14.8141 15.5251 15.5251 k = 0.5000 0.2507 0.2578 ( 4304 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2413 5.2413 6.0394 6.0394 8.1844 8.1844 8.3311 8.3311 8.6321 8.6321 8.7200 8.7200 8.8270 8.8270 8.8944 8.8944 8.9562 8.9562 8.9864 8.9864 9.1515 9.1515 9.2474 9.2474 11.2142 11.2142 11.2811 11.2811 12.2354 12.2354 12.2711 12.2711 12.3463 12.3463 14.8899 14.8899 14.9434 14.9434 15.4971 15.4971 k = 0.5000 0.2583 0.2471 ( 4306 PWs) bands (ev): -66.0502 -66.0502 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2326 5.2326 6.0278 6.0278 8.1896 8.1896 8.3335 8.3335 8.6452 8.6452 8.7157 8.7157 8.8348 8.8348 8.8923 8.8923 8.9422 8.9422 8.9834 8.9834 9.1500 9.1500 9.2433 9.2433 11.2248 11.2248 11.2860 11.2860 12.2379 12.2379 12.2731 12.2731 12.3513 12.3513 15.0148 15.0148 15.0692 15.0692 15.4750 15.4750 k = 0.5000 0.2659 0.2364 ( 4316 PWs) bands (ev): -66.0514 -66.0514 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2257 5.2257 6.0187 6.0187 8.1928 8.1928 8.3359 8.3359 8.6570 8.6570 8.7104 8.7104 8.8439 8.8439 8.8903 8.8903 8.9279 8.9279 8.9812 8.9812 9.1489 9.1489 9.2401 9.2401 11.2301 11.2301 11.2886 11.2886 12.2379 12.2379 12.2724 12.2724 12.3532 12.3532 15.1286 15.1286 15.1860 15.1860 15.4599 15.4599 k = 0.5000 0.2735 0.2256 ( 4322 PWs) bands (ev): -66.0520 -66.0520 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2208 5.2208 6.0122 6.0122 8.1948 8.1948 8.3381 8.3381 8.6677 8.6677 8.7045 8.7045 8.8543 8.8543 8.8881 8.8881 8.9144 8.9144 8.9797 8.9797 9.1481 9.1481 9.2378 9.2378 11.2342 11.2342 11.2902 11.2902 12.2382 12.2382 12.2725 12.2725 12.3550 12.3550 15.2237 15.2237 15.2862 15.2862 15.4542 15.4542 k = 0.5000 0.2811 0.2149 ( 4316 PWs) bands (ev): -66.0514 -66.0514 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2179 5.2179 6.0083 6.0083 8.1959 8.1959 8.3397 8.3397 8.6770 8.6770 8.6983 8.6983 8.8652 8.8652 8.8854 8.8854 8.9038 8.9038 8.9788 8.9788 9.1477 9.1477 9.2364 9.2364 11.2388 11.2388 11.2943 11.2943 12.2407 12.2407 12.2748 12.2748 12.3587 12.3587 15.2871 15.2871 15.3543 15.3543 15.4603 15.4603 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -66.0511 -66.0511 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2169 5.2169 6.0070 6.0070 8.1963 8.1963 8.3403 8.3403 8.6819 8.6819 8.6944 8.6944 8.8726 8.8726 8.8813 8.8813 8.8996 8.8996 8.9785 8.9785 9.1475 9.1475 9.2360 9.2360 11.2403 11.2403 11.2958 11.2958 12.2414 12.2414 12.2755 12.2755 12.3599 12.3599 15.3086 15.3086 15.3772 15.3772 15.4677 15.4677 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -66.0511 -66.0511 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2169 5.2169 6.0070 6.0070 8.1963 8.1963 8.3403 8.3403 8.6819 8.6819 8.6944 8.6944 8.8726 8.8726 8.8813 8.8813 8.8996 8.8996 8.9785 8.9785 9.1475 9.1475 9.2360 9.2360 11.2403 11.2403 11.2958 11.2958 12.2414 12.2414 12.2755 12.2755 12.3599 12.3599 15.3086 15.3086 15.3772 15.3772 15.4677 15.4677 k = 0.4962 0.2865 0.2165 ( 4316 PWs) bands (ev): -66.0514 -66.0514 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2179 5.2179 6.0083 6.0083 8.1960 8.1960 8.3397 8.3397 8.6770 8.6770 8.6983 8.6983 8.8652 8.8652 8.8854 8.8854 8.9038 8.9038 8.9788 8.9788 9.1477 9.1477 9.2364 9.2364 11.2389 11.2389 11.2944 11.2944 12.2405 12.2405 12.2746 12.2746 12.3587 12.3587 15.2871 15.2871 15.3546 15.3546 15.4602 15.4602 k = 0.4924 0.2843 0.2289 ( 4322 PWs) bands (ev): -66.0520 -66.0520 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2208 5.2208 6.0122 6.0122 8.1948 8.1948 8.3381 8.3381 8.6678 8.6678 8.7045 8.7045 8.8543 8.8543 8.8881 8.8881 8.9144 8.9144 8.9797 8.9797 9.1481 9.1481 9.2378 9.2378 11.2344 11.2344 11.2901 11.2901 12.2382 12.2382 12.2725 12.2725 12.3550 12.3550 15.2206 15.2206 15.2926 15.2926 15.4515 15.4515 k = 0.4886 0.2821 0.2412 ( 4316 PWs) bands (ev): -66.0513 -66.0513 -35.8288 -35.8288 -34.6268 -34.6268 -34.6257 -34.6257 5.2257 5.2257 6.0186 6.0186 8.1928 8.1928 8.3360 8.3360 8.6571 8.6571 8.7104 8.7104 8.8440 8.8440 8.8902 8.8902 8.9278 8.9278 8.9812 8.9812 9.1489 9.1489 9.2401 9.2401 11.2311 11.2311 11.2880 11.2880 12.2376 12.2376 12.2721 12.2721 12.3533 12.3533 15.1135 15.1135 15.2121 15.2121 15.4491 15.4491 k = 0.4848 0.2799 0.2536 ( 4302 PWs) bands (ev): -66.0498 -66.0498 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2325 5.2325 6.0277 6.0277 8.1898 8.1898 8.3337 8.3337 8.6454 8.6454 8.7156 8.7156 8.8349 8.8349 8.8926 8.8926 8.9419 8.9419 8.9834 8.9834 9.1500 9.1500 9.2433 9.2433 11.2254 11.2254 11.2869 11.2869 12.2397 12.2397 12.2749 12.2749 12.3520 12.3520 14.9821 14.9821 15.1230 15.1230 15.4509 15.4509 k = 0.4811 0.2777 0.2660 ( 4304 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2412 5.2412 6.0392 6.0392 8.1844 8.1844 8.3311 8.3311 8.6323 8.6323 8.7197 8.7197 8.8271 8.8271 8.8949 8.8949 8.9555 8.9555 8.9865 8.9865 9.1514 9.1514 9.2473 9.2473 11.2134 11.2134 11.2822 11.2822 12.2356 12.2356 12.2709 12.2709 12.3464 12.3464 14.8382 14.8382 15.0270 15.0270 15.4550 15.4550 k = 0.4773 0.2756 0.2784 ( 4306 PWs) bands (ev): -66.0502 -66.0502 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2518 5.2518 6.0533 6.0533 8.1767 8.1767 8.3293 8.3293 8.6183 8.6183 8.7229 8.7229 8.8208 8.8208 8.8977 8.8977 8.9679 8.9679 8.9910 8.9910 9.1533 9.1533 9.2522 9.2522 11.1990 11.1990 11.2782 11.2782 12.2283 12.2283 12.2639 12.2639 12.3411 12.3411 14.6902 14.6902 14.9273 14.9273 15.4606 15.4606 k = 0.4735 0.2734 0.2907 ( 4304 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6257 -34.6257 5.2644 5.2644 6.0698 6.0698 8.1663 8.1663 8.3288 8.3288 8.6033 8.6033 8.7252 8.7252 8.8163 8.8163 8.9013 8.9013 8.9774 8.9774 8.9983 8.9983 9.1558 9.1558 9.2578 9.2578 11.1817 11.1817 11.2743 11.2743 12.2220 12.2220 12.2587 12.2587 12.3359 12.3359 14.5411 14.5411 14.8253 14.8253 15.4675 15.4675 k = 0.4697 0.2712 0.3031 ( 4310 PWs) bands (ev): -66.0507 -66.0507 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2788 5.2788 6.0887 6.0887 8.1524 8.1524 8.3298 8.3298 8.5875 8.5875 8.7264 8.7264 8.8134 8.8134 8.9054 8.9054 8.9837 8.9837 9.0083 9.0083 9.1588 9.1588 9.2642 9.2642 11.1589 11.1589 11.2699 11.2699 12.2104 12.2104 12.2490 12.2490 12.3295 12.3295 14.3916 14.3916 14.7223 14.7223 15.4748 15.4748 k = 0.4659 0.2690 0.3155 ( 4314 PWs) bands (ev): -66.0512 -66.0512 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.2951 5.2951 6.1100 6.1100 8.1353 8.1353 8.3327 8.3327 8.5708 8.5708 8.7266 8.7266 8.8123 8.8123 8.9100 8.9100 8.9881 8.9881 9.0197 9.0197 9.1624 9.1624 9.2711 9.2711 11.1321 11.1321 11.2664 11.2664 12.1984 12.1984 12.2415 12.2415 12.3223 12.3223 14.2442 14.2442 14.6194 14.6194 15.4824 15.4824 k = 0.4621 0.2668 0.3278 ( 4312 PWs) bands (ev): -66.0510 -66.0510 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.3132 5.3132 6.1338 6.1338 8.1151 8.1151 8.3376 8.3376 8.5534 8.5534 8.7260 8.7260 8.8128 8.8128 8.9153 8.9153 8.9919 8.9919 9.0310 9.0310 9.1668 9.1668 9.2787 9.2787 11.1035 11.1035 11.2635 11.2635 12.1851 12.1851 12.2359 12.2359 12.3179 12.3179 14.1013 14.1013 14.5175 14.5175 15.4904 15.4904 k = 0.4583 0.2646 0.3402 ( 4316 PWs) bands (ev): -66.0514 -66.0514 -35.8288 -35.8288 -34.6268 -34.6268 -34.6258 -34.6258 5.3330 5.3330 6.1599 6.1599 8.0917 8.0917 8.3439 8.3439 8.5353 8.5353 8.7247 8.7247 8.8147 8.8147 8.9209 8.9209 8.9954 8.9954 9.0416 9.0416 9.1718 9.1718 9.2868 9.2868 11.0714 11.0714 11.2588 11.2588 12.1654 12.1654 12.2276 12.2276 12.3148 12.3148 13.9621 13.9621 14.4154 14.4154 15.4984 15.4984 k = 0.4545 0.2624 0.3526 ( 4311 PWs) bands (ev): -66.0509 -66.0509 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.3547 5.3547 6.1883 6.1883 8.0655 8.0655 8.3520 8.3520 8.5167 8.5167 8.7229 8.7229 8.8179 8.8179 8.9269 8.9269 8.9992 8.9992 9.0514 9.0514 9.1777 9.1777 9.2953 9.2953 11.0365 11.0365 11.2562 11.2562 12.1490 12.1490 12.2235 12.2235 12.3124 12.3124 13.8286 13.8286 14.3158 14.3158 15.5066 15.5066 k = 0.4508 0.2602 0.3649 ( 4313 PWs) bands (ev): -66.0511 -66.0511 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.3781 5.3781 6.2188 6.2188 8.0365 8.0365 8.3613 8.3613 8.4976 8.4976 8.7208 8.7208 8.8221 8.8221 8.9331 8.9331 9.0032 9.0032 9.0602 9.0602 9.1842 9.1842 9.3042 9.3042 10.9986 10.9986 11.2520 11.2520 12.1248 12.1248 12.2165 12.2165 12.3106 12.3106 13.7005 13.7005 14.2167 14.2167 15.5142 15.5142 k = 0.4470 0.2581 0.3773 ( 4307 PWs) bands (ev): -66.0505 -66.0505 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.4031 5.4031 6.2513 6.2513 8.0053 8.0053 8.3716 8.3716 8.4783 8.4783 8.7184 8.7184 8.8272 8.8272 8.9393 8.9393 9.0080 9.0080 9.0682 9.0682 9.1912 9.1912 9.3134 9.3134 10.9596 10.9596 11.2502 11.2502 12.0991 12.0991 12.2101 12.2101 12.3116 12.3116 13.5820 13.5820 14.1206 14.1206 15.5219 15.5219 k = 0.4432 0.2559 0.3897 ( 4303 PWs) bands (ev): -66.0500 -66.0500 -35.8288 -35.8288 -34.6267 -34.6267 -34.6259 -34.6259 5.4298 5.4298 6.2859 6.2859 7.9719 7.9719 8.3824 8.3824 8.4593 8.4593 8.7159 8.7159 8.8329 8.8329 8.9451 8.9451 9.0133 9.0133 9.0753 9.0753 9.1986 9.1986 9.3229 9.3229 10.9178 10.9178 11.2463 11.2463 12.0718 12.0718 12.2041 12.2041 12.3128 12.3128 13.4695 13.4695 14.0251 14.0251 15.5300 15.5300 k = 0.4394 0.2537 0.4021 ( 4303 PWs) bands (ev): -66.0500 -66.0500 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.4581 5.4581 6.3224 6.3224 7.9361 7.9361 8.3923 8.3923 8.4415 8.4415 8.7132 8.7132 8.8391 8.8391 8.9504 8.9504 9.0195 9.0195 9.0817 9.0817 9.2062 9.2062 9.3324 9.3324 10.8728 10.8728 11.2409 11.2409 12.0406 12.0406 12.1975 12.1975 12.3147 12.3147 13.3648 13.3648 13.9304 13.9304 15.5365 15.5365 k = 0.4356 0.2515 0.4144 ( 4301 PWs) bands (ev): -66.0498 -66.0498 -35.8289 -35.8289 -34.6267 -34.6267 -34.6259 -34.6259 5.4878 5.4878 6.3607 6.3607 7.8983 7.8983 8.3957 8.3957 8.4307 8.4307 8.7107 8.7107 8.8456 8.8456 8.9552 8.9552 9.0269 9.0269 9.0879 9.0879 9.2137 9.2137 9.3418 9.3418 10.8259 10.8259 11.2371 11.2371 12.0066 12.0066 12.1919 12.1919 12.3165 12.3165 13.2687 13.2687 13.8387 13.8387 15.5421 15.5421 k = 0.4318 0.2493 0.4268 ( 4305 PWs) bands (ev): -66.0503 -66.0503 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5189 5.5189 6.4005 6.4005 7.8581 7.8581 8.3844 8.3844 8.4350 8.4350 8.7081 8.7081 8.8524 8.8524 8.9593 8.9593 9.0350 9.0350 9.0938 9.0938 9.2211 9.2211 9.3511 9.3511 10.7762 10.7762 11.2315 11.2315 11.9701 11.9701 12.1842 12.1842 12.3204 12.3204 13.1770 13.1770 13.7481 13.7481 15.5460 15.5460 k = 0.4280 0.2471 0.4392 ( 4303 PWs) bands (ev): -66.0500 -66.0500 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5513 5.5513 6.4418 6.4418 7.8162 7.8162 8.3659 8.3659 8.4473 8.4473 8.7057 8.7057 8.8593 8.8593 8.9626 8.9626 9.0443 9.0443 9.0999 9.0999 9.2281 9.2281 9.3601 9.3601 10.7263 10.7263 11.2261 11.2261 11.9339 11.9339 12.1797 12.1797 12.3250 12.3250 13.0951 13.0951 13.6600 13.6600 15.5504 15.5504 k = 0.4242 0.2449 0.4515 ( 4301 PWs) bands (ev): -66.0498 -66.0498 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.5850 5.5850 6.4843 6.4843 7.7724 7.7724 8.3455 8.3455 8.4619 8.4619 8.7033 8.7033 8.8662 8.8662 8.9653 8.9653 9.0543 9.0543 9.1064 9.1064 9.2348 9.2348 9.3687 9.3687 10.6760 10.6760 11.2200 11.2200 11.8966 11.8966 12.1758 12.1758 12.3299 12.3299 13.0219 13.0219 13.5737 13.5737 15.5542 15.5542 k = 0.4205 0.2427 0.4639 ( 4306 PWs) bands (ev): -66.0504 -66.0504 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.6197 5.6197 6.5278 6.5278 7.7268 7.7268 8.3246 8.3246 8.4775 8.4775 8.7011 8.7011 8.8730 8.8730 8.9674 8.9674 9.0647 9.0647 9.1135 9.1135 9.2409 9.2409 9.3766 9.3766 10.6250 10.6250 11.2118 11.2118 11.8578 11.8578 12.1721 12.1721 12.3331 12.3331 12.9523 12.9523 13.4879 13.4879 15.5567 15.5567 k = 0.4167 0.2406 0.4763 ( 4291 PWs) bands (ev): -66.0487 -66.0487 -35.8289 -35.8289 -34.6266 -34.6266 -34.6260 -34.6260 5.6554 5.6554 6.5721 6.5721 7.6798 7.6798 8.3037 8.3037 8.4939 8.4939 8.6993 8.6993 8.8795 8.8795 8.9691 8.9691 9.0761 9.0761 9.1218 9.1218 9.2467 9.2467 9.3837 9.3837 10.5755 10.5755 11.2069 11.2069 11.8235 11.8235 12.1739 12.1739 12.3458 12.3458 12.8933 12.8933 13.4084 13.4084 15.5606 15.5606 k = 0.4129 0.2384 0.4887 ( 4297 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.6918 5.6918 6.6163 6.6163 7.6313 7.6313 8.2828 8.2828 8.5104 8.5104 8.6974 8.6974 8.8854 8.8854 8.9701 8.9701 9.0871 9.0871 9.1311 9.1311 9.2519 9.2519 9.3897 9.3897 10.5268 10.5268 11.1981 11.1981 11.7861 11.7861 12.1691 12.1691 12.3515 12.3515 12.8341 12.8341 13.3276 13.3276 15.5622 15.5622 k = 0.4091 0.2362 0.5010 ( 4297 PWs) bands (ev): -66.0494 -66.0494 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 5.7287 5.7287 6.6601 6.6601 7.5824 7.5824 8.2624 8.2624 8.5268 8.5268 8.6960 8.6960 8.8907 8.8907 8.9710 8.9710 9.0981 9.0981 9.1418 9.1418 9.2567 9.2567 9.3944 9.3944 10.4809 10.4809 11.1885 11.1885 11.7501 11.7501 12.1672 12.1672 12.3587 12.3587 12.7863 12.7863 13.2487 13.2487 15.5641 15.5641 k = 0.4053 0.2340 0.5134 ( 4294 PWs) bands (ev): -66.0491 -66.0491 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 5.7659 5.7659 6.7028 6.7028 7.5335 7.5335 8.2426 8.2426 8.5431 8.5431 8.6952 8.6952 8.8951 8.8951 8.9718 8.9718 9.1089 9.1089 9.1542 9.1542 9.2612 9.2612 9.3978 9.3978 10.4380 10.4380 11.1795 11.1795 11.7164 11.7164 12.1673 12.1673 12.3662 12.3662 12.7439 12.7439 13.1735 13.1735 15.5654 15.5654 k = 0.4015 0.2318 0.5258 ( 4292 PWs) bands (ev): -66.0489 -66.0489 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8031 5.8031 6.7431 6.7431 7.4856 7.4856 8.2236 8.2236 8.5590 8.5590 8.6950 8.6950 8.8985 8.8985 8.9725 8.9725 9.1195 9.1195 9.1679 9.1679 9.2655 9.2655 9.3996 9.3996 10.3987 10.3987 11.1698 11.1698 11.6837 11.6837 12.1686 12.1686 12.3746 12.3746 12.7049 12.7049 13.1008 13.1008 15.5661 15.5661 k = 0.3977 0.2296 0.5381 ( 4293 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8398 5.8398 6.7796 6.7796 7.4404 7.4404 8.2054 8.2054 8.5738 8.5738 8.6956 8.6956 8.9007 8.9007 8.9731 8.9731 9.1299 9.1299 9.1827 9.1827 9.2699 9.2699 9.3997 9.3997 10.3637 10.3637 11.1590 11.1590 11.6502 11.6502 12.1694 12.1694 12.3852 12.3852 12.6703 12.6703 13.0303 13.0303 15.5647 15.5647 k = 0.3939 0.2274 0.5505 ( 4289 PWs) bands (ev): -66.0486 -66.0486 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.8756 5.8756 6.8099 6.8099 7.4005 7.4005 8.1886 8.1886 8.5874 8.5874 8.6977 8.6977 8.9017 8.9017 8.9739 8.9739 9.1402 9.1402 9.1983 9.1983 9.2747 9.2747 9.3984 9.3984 10.3338 10.3338 11.1484 11.1484 11.6218 11.6218 12.1742 12.1742 12.3932 12.3932 12.6408 12.6408 12.9637 12.9637 15.5649 15.5649 k = 0.3902 0.2253 0.5629 ( 4283 PWs) bands (ev): -66.0479 -66.0479 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9098 5.9098 6.8314 6.8314 7.3693 7.3693 8.1731 8.1731 8.5990 8.5990 8.7013 8.7013 8.9014 8.9014 8.9744 8.9744 9.1503 9.1503 9.2140 9.2140 9.2805 9.2805 9.3960 9.3960 10.3094 10.3094 11.1365 11.1365 11.5970 11.5970 12.1781 12.1781 12.4020 12.4020 12.6187 12.6187 12.8992 12.8992 15.5657 15.5657 k = 0.3864 0.2231 0.5753 ( 4287 PWs) bands (ev): -66.0484 -66.0484 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9414 5.9414 6.8411 6.8411 7.3496 7.3496 8.1591 8.1591 8.6080 8.6080 8.7067 8.7067 8.8999 8.8999 8.9745 8.9745 9.1598 9.1598 9.2292 9.2292 9.2877 9.2877 9.3929 9.3929 10.2905 10.2905 11.1236 11.1236 11.5706 11.5706 12.1807 12.1807 12.4016 12.4016 12.6021 12.6021 12.8371 12.8371 15.5645 15.5645 k = 0.3826 0.2209 0.5876 ( 4285 PWs) bands (ev): -66.0482 -66.0482 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9693 5.9693 6.8378 6.8378 7.3444 7.3444 8.1469 8.1469 8.6145 8.6145 8.7142 8.7142 8.8974 8.8974 8.9743 8.9743 9.1685 9.1685 9.2433 9.2433 9.2972 9.2972 9.3901 9.3901 10.2774 10.2774 11.1103 11.1103 11.5473 11.5473 12.1863 12.1863 12.4012 12.4012 12.5932 12.5932 12.7794 12.7794 15.5640 15.5640 k = 0.3788 0.2187 0.6000 ( 4286 PWs) bands (ev): -66.0483 -66.0483 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 5.9920 5.9920 6.8226 6.8226 7.3533 7.3533 8.1366 8.1366 8.6184 8.6184 8.7233 8.7233 8.8941 8.8941 8.9735 8.9735 9.1757 9.1757 9.2562 9.2562 9.3087 9.3087 9.3890 9.3890 10.2699 10.2699 11.0961 11.0961 11.5259 11.5259 12.1915 12.1915 12.3956 12.3956 12.5898 12.5898 12.7251 12.7251 15.5629 15.5629 k = 0.3750 0.2165 0.6124 ( 4300 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6262 -34.6262 6.0072 6.0072 6.7997 6.7997 7.3739 7.3739 8.1281 8.1281 8.6200 8.6200 8.7332 8.7332 8.8901 8.8901 8.9717 8.9717 9.1806 9.1806 9.2683 9.2683 9.3205 9.3205 9.3918 9.3918 10.2678 10.2678 11.0796 11.0796 11.5014 11.5014 12.1931 12.1931 12.3871 12.3871 12.5873 12.5873 12.6719 12.6719 15.5589 15.5589 k = 0.6250-0.0722 0.4082 ( 4300 PWs) bands (ev): -66.0499 -66.0499 -35.8289 -35.8289 -34.6267 -34.6267 -34.6262 -34.6262 6.0072 6.0072 6.7997 6.7997 7.3739 7.3739 8.1281 8.1281 8.6200 8.6200 8.7332 8.7332 8.8901 8.8901 8.9717 8.9717 9.1806 9.1806 9.2683 9.2683 9.3205 9.3205 9.3918 9.3918 10.2678 10.2678 11.0796 11.0796 11.5014 11.5014 12.1931 12.1931 12.3871 12.3871 12.5873 12.5873 12.6719 12.6719 15.5589 15.5589 k = 0.6184-0.0836 0.4082 ( 4288 PWs) bands (ev): -66.0485 -66.0485 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0235 6.0235 6.7577 6.7577 7.4203 7.4203 8.1159 8.1159 8.6203 8.6203 8.7519 8.7519 8.8831 8.8831 8.9680 8.9680 9.1829 9.1829 9.2909 9.2909 9.3385 9.3385 9.4103 9.4103 10.2689 10.2689 11.0548 11.0548 11.4724 11.4724 12.2037 12.2037 12.3777 12.3777 12.5900 12.5900 12.6050 12.6050 15.5589 15.5589 k = 0.6118-0.0950 0.4082 ( 4286 PWs) bands (ev): -66.0483 -66.0483 -35.8289 -35.8289 -34.6266 -34.6266 -34.6261 -34.6261 6.0343 6.0343 6.7177 6.7177 7.4684 7.4684 8.1040 8.1040 8.6191 8.6191 8.7713 8.7713 8.8760 8.8760 8.9632 8.9632 9.1770 9.1770 9.3168 9.3168 9.3537 9.3537 9.4439 9.4439 10.2699 10.2699 11.0282 11.0282 11.4421 11.4421 12.2111 12.2111 12.3652 12.3652 12.5177 12.5177 12.6113 12.6113 15.5573 15.5573 k = 0.6053-0.1064 0.4082 ( 4292 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0405 6.0405 6.6797 6.6797 7.5167 7.5167 8.0927 8.0927 8.6172 8.6172 8.7907 8.7907 8.8689 8.8689 8.9576 8.9576 9.1655 9.1655 9.3453 9.3453 9.3682 9.3682 9.4888 9.4888 10.2707 10.2707 11.0010 11.0010 11.4112 11.4112 12.2176 12.2176 12.3445 12.3445 12.4453 12.4453 12.6199 12.6199 15.5539 15.5539 k = 0.5987-0.1177 0.4082 ( 4292 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0430 6.0430 6.6440 6.6440 7.5646 7.5646 8.0818 8.0818 8.6149 8.6149 8.8094 8.8094 8.8621 8.8621 8.9518 8.9518 9.1510 9.1510 9.3715 9.3715 9.3869 9.3869 9.5424 9.5424 10.2715 10.2715 10.9735 10.9735 11.3815 11.3815 12.2233 12.2233 12.3293 12.3293 12.3796 12.3796 12.6285 12.6285 15.5514 15.5514 k = 0.5921-0.1291 0.4082 ( 4292 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0428 6.0428 6.6105 6.6105 7.6109 7.6109 8.0715 8.0715 8.6124 8.6124 8.8271 8.8271 8.8558 8.8558 8.9460 8.9460 9.1352 9.1352 9.3882 9.3882 9.4162 9.4162 9.6031 9.6031 10.2722 10.2722 10.9455 10.9455 11.3523 11.3523 12.2273 12.2273 12.2954 12.2954 12.3384 12.3384 12.6364 12.6364 15.5483 15.5483 k = 0.5855-0.1405 0.4082 ( 4290 PWs) bands (ev): -66.0488 -66.0488 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0404 6.0404 6.5792 6.5792 7.6545 7.6545 8.0617 8.0617 8.6100 8.6100 8.8420 8.8420 8.8514 8.8514 8.9401 8.9401 9.1192 9.1192 9.4013 9.4013 9.4497 9.4497 9.6702 9.6702 10.2729 10.2729 10.9185 10.9185 11.3212 11.3212 12.2220 12.2220 12.2528 12.2528 12.3239 12.3239 12.6451 12.6451 15.5432 15.5432 k = 0.5789-0.1519 0.4082 ( 4292 PWs) bands (ev): -66.0490 -66.0490 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0364 6.0364 6.5501 6.5501 7.6954 7.6954 8.0526 8.0526 8.6076 8.6076 8.8420 8.8420 8.8608 8.8608 8.9344 8.9344 9.1038 9.1038 9.4131 9.4131 9.4845 9.4845 9.7427 9.7427 10.2736 10.2736 10.8890 10.8890 11.2919 11.2919 12.1758 12.1758 12.2427 12.2427 12.3161 12.3161 12.6500 12.6500 15.5387 15.5387 k = 0.5724-0.1633 0.4082 ( 4294 PWs) bands (ev): -66.0493 -66.0493 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0313 6.0313 6.5233 6.5233 7.7328 7.7328 8.0443 8.0443 8.6054 8.6054 8.8370 8.8370 8.8739 8.8739 8.9289 8.9289 9.0893 9.0893 9.4241 9.4241 9.5196 9.5196 9.8199 9.8199 10.2743 10.2743 10.8598 10.8598 11.2614 11.2614 12.1217 12.1217 12.2448 12.2448 12.3090 12.3090 12.6543 12.6543 15.5322 15.5322 k = 0.5658-0.1747 0.4082 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0256 6.0256 6.4988 6.4988 7.7667 7.7667 8.0368 8.0368 8.6033 8.6033 8.8323 8.8323 8.8857 8.8857 8.9240 8.9240 9.0763 9.0763 9.4343 9.4343 9.5548 9.5548 9.9009 9.9009 10.2750 10.2750 10.8316 10.8316 11.2306 11.2306 12.0784 12.0784 12.2492 12.2492 12.3091 12.3091 12.6601 12.6601 15.5242 15.5242 k = 0.5592-0.1861 0.4082 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6267 -34.6267 -34.6261 -34.6261 6.0196 6.0196 6.4765 6.4765 7.7967 7.7967 8.0300 8.0300 8.6014 8.6014 8.8279 8.8279 8.8955 8.8955 8.9191 8.9191 9.0649 9.0649 9.4436 9.4436 9.5895 9.5895 9.9845 9.9845 10.2758 10.2758 10.8026 10.8026 11.1984 11.1984 12.0326 12.0326 12.2517 12.2517 12.3044 12.3044 12.6636 12.6636 15.5128 15.5128 k = 0.5526-0.1975 0.4082 ( 4284 PWs) bands (ev): -66.0481 -66.0481 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 6.0135 6.0135 6.4566 6.4566 7.8232 7.8232 8.0242 8.0242 8.5996 8.5996 8.8238 8.8238 8.9032 8.9032 8.9146 8.9146 9.0555 9.0555 9.4520 9.4520 9.6233 9.6233 10.0696 10.0696 10.2769 10.2769 10.7740 10.7740 11.1658 11.1658 11.9908 11.9908 12.2553 12.2553 12.2991 12.2991 12.6645 12.6645 15.4963 15.4963 k = 0.5461-0.2089 0.4082 ( 4276 PWs) bands (ev): -66.0473 -66.0473 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 6.0078 6.0078 6.4389 6.4389 7.8460 7.8460 8.0194 8.0194 8.5981 8.5981 8.8206 8.8206 8.9089 8.9089 8.9109 8.9109 9.0481 9.0481 9.4595 9.4595 9.6557 9.6557 10.1543 10.1543 10.2792 10.2792 10.7463 10.7463 11.1315 11.1315 11.9548 11.9548 12.2620 12.2620 12.2988 12.2988 12.6668 12.6668 15.4769 15.4769 k = 0.5395-0.2203 0.4082 ( 4276 PWs) bands (ev): -66.0472 -66.0472 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 6.0024 6.0024 6.4236 6.4236 7.8648 7.8648 8.0154 8.0154 8.5967 8.5967 8.8176 8.8176 8.9074 8.9074 8.9126 8.9126 9.0427 9.0427 9.4660 9.4660 9.6862 9.6862 10.2316 10.2316 10.2884 10.2884 10.7201 10.7201 11.0930 11.0930 11.9229 11.9229 12.2623 12.2623 12.2975 12.2975 12.6678 12.6678 15.4515 15.4515 k = 0.5329-0.2317 0.4082 ( 4280 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9976 5.9976 6.4107 6.4107 7.8796 7.8796 8.0123 8.0123 8.5955 8.5955 8.8151 8.8151 8.9044 8.9044 8.9146 8.9146 9.0391 9.0391 9.4716 9.4716 9.7140 9.7140 10.2652 10.2652 10.3394 10.3394 10.6960 10.6960 11.0502 11.0502 11.8956 11.8956 12.2620 12.2620 12.2964 12.2964 12.6667 12.6667 15.4218 15.4218 k = 0.5263-0.2431 0.4082 ( 4288 PWs) bands (ev): -66.0486 -66.0486 -35.8289 -35.8289 -34.6268 -34.6268 -34.6260 -34.6260 5.9935 5.9935 6.4001 6.4001 7.8910 7.8910 8.0101 8.0101 8.5946 8.5946 8.8131 8.8131 8.9019 8.9019 8.9153 8.9153 9.0370 9.0370 9.4762 9.4762 9.7383 9.7383 10.2702 10.2702 10.4157 10.4157 10.6746 10.6746 11.0051 11.0051 11.8694 11.8694 12.2602 12.2602 12.2949 12.2949 12.6645 12.6645 15.3902 15.3902 k = 0.5197-0.2545 0.4082 ( 4280 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9904 5.9904 6.3918 6.3918 7.9001 7.9001 8.0088 8.0088 8.5938 8.5938 8.8118 8.8118 8.9002 8.9002 8.9152 8.9152 9.0359 9.0359 9.4797 9.4797 9.7585 9.7585 10.2717 10.2717 10.4905 10.4905 10.6571 10.6571 10.9599 10.9599 11.8549 11.8549 12.2634 12.2634 12.2982 12.2982 12.6661 12.6661 15.3611 15.3611 k = 0.5132-0.2659 0.4082 ( 4280 PWs) bands (ev): -66.0477 -66.0477 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9881 5.9881 6.3859 6.3859 7.9061 7.9061 8.0080 8.0080 8.5932 8.5932 8.8107 8.8107 8.8988 8.8988 8.9148 8.9148 9.0354 9.0354 9.4823 9.4823 9.7736 9.7736 10.2724 10.2724 10.5572 10.5572 10.6444 10.6444 10.9148 10.9148 11.8426 11.8426 12.2631 12.2631 12.2982 12.2982 12.6659 12.6659 15.3366 15.3366 k = 0.5066-0.2773 0.4082 ( 4264 PWs) bands (ev): -66.0459 -66.0459 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9867 5.9867 6.3823 6.3823 7.9102 7.9102 8.0077 8.0077 8.5929 8.5929 8.8104 8.8104 8.8984 8.8984 8.9144 8.9144 9.0352 9.0352 9.4838 9.4838 9.7829 9.7829 10.2727 10.2727 10.6064 10.6064 10.6393 10.6393 10.8785 10.8785 11.8427 11.8427 12.2681 12.2681 12.3027 12.3027 12.6689 12.6689 15.3210 15.3210 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -66.0459 -66.0459 -35.8289 -35.8289 -34.6267 -34.6267 -34.6260 -34.6260 5.9862 5.9862 6.3812 6.3812 7.9113 7.9113 8.0076 8.0076 8.5928 8.5928 8.8102 8.8102 8.8981 8.8981 8.9142 8.9142 9.0351 9.0351 9.4844 9.4844 9.7861 9.7861 10.2727 10.2727 10.6205 10.6205 10.6438 10.6438 10.8618 10.8618 11.8403 11.8403 12.2681 12.2681 12.3027 12.3027 12.6688 12.6688 15.3155 15.3155 Writing output data file MnAlCu2.save init_run : 0.18s CPU 0.31s WALL ( 1 calls) electrons : 134.25s CPU 136.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 134.25s CPU 136.58s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 354 calls) cegterg : 117.76s CPU 119.35s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 81.49s CPU 82.79s WALL ( 6608 calls) s_psi : 3.76s CPU 3.69s WALL ( 6608 calls) g_psi : 0.22s CPU 0.19s WALL ( 5849 calls) cdiaghg : 33.09s CPU 33.74s WALL ( 6203 calls) cegterg:over : 4.06s CPU 4.18s WALL ( 5849 calls) cegterg:upda : 3.44s CPU 3.37s WALL ( 5849 calls) cegterg:last : 2.18s CPU 2.21s WALL ( 1113 calls) cdiaghg:chol : 1.65s CPU 1.86s WALL ( 6203 calls) cdiaghg:inve : 1.18s CPU 1.12s WALL ( 6203 calls) cdiaghg:para : 1.83s CPU 1.96s WALL ( 12406 calls) Called by h_psi: h_psi:vloc : 71.73s CPU 72.89s WALL ( 6608 calls) h_psi:vnl : 9.57s CPU 9.70s WALL ( 6608 calls) add_vuspsi : 5.05s CPU 5.00s WALL ( 6608 calls) General routines calbec : 4.50s CPU 4.68s WALL ( 6608 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 68.24s CPU 69.37s WALL ( 654340 calls) davcio : 0.18s CPU 0.32s WALL ( 708 calls) Parallel routines fft_scatter : 21.81s CPU 22.11s WALL ( 654355 calls) PWSCF : 2m30.67s CPU 2m45.25s WALL This run was terminated on: 18:40:13 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=