Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:31:37 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: ./ScAlNi2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 49 25 7 1374 491 78 Max 50 26 8 1376 509 83 Sum 1789 913 265 49493 17933 2837 bravais-lattice index = 14 lattice parameter (alat) = 8.0041 a.u. unit-cell volume = 362.5910 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.004066 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Sc 11.00 44.95590 Sc( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028329 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028329 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028329 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028329 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028329 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028329 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028329 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028329 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028329 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028329 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028329 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028329 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028329 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028329 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028329 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028329 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028329 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028329 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028329 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028329 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028329 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028329 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028329 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028329 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028329 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028329 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028329 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028329 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028329 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028329 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028329 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028329 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028329 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028329 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028329 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028329 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028329 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028329 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028329 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028329 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028329 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028329 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028329 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028329 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028329 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028329 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028329 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028329 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028329 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028329 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028329 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028329 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028329 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028329 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028329 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028329 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028329 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028329 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028329 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028329 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028329 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028329 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028329 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028329 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028329 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028329 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028329 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028329 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028329 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028329 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028329 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028329 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028329 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028329 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028329 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028329 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028329 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028329 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028329 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028329 k( 82) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028329 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028329 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028329 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028329 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028329 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028329 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028329 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028329 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028329 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028329 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028329 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028329 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028329 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028329 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028329 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028329 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028329 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028329 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028329 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028329 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028329 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028329 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028329 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028329 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028329 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028329 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028329 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028329 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028329 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028329 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028329 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028329 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028329 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028329 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028329 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028329 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028329 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028329 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028329 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028329 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028329 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028329 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028329 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028329 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028329 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028329 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028329 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028329 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028329 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028329 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028329 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028329 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028329 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028329 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028329 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028329 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028329 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028329 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028329 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028329 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028329 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028329 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028329 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028329 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028329 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028329 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028329 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028329 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028329 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028329 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028329 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028329 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028329 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028329 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028329 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028329 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028329 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028329 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028329 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028329 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028329 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028329 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028329 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028329 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028329 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028329 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028329 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028329 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028329 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028329 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028329 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028329 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028329 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028329 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028329 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028329 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028329 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028329 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028329 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028329 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028329 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028329 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028329 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028329 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028329 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028329 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028329 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028329 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028329 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028329 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028329 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028329 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028329 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028329 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028329 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028329 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028329 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028329 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028329 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028329 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028329 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 208) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028329 k( 209) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028329 k( 210) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028329 k( 211) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028329 k( 212) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028329 k( 213) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028329 k( 214) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028329 k( 215) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028329 k( 216) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028329 k( 217) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028329 k( 218) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028329 k( 219) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028329 k( 220) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028329 k( 221) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028329 k( 222) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028329 k( 223) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028329 k( 224) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028329 k( 225) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028329 k( 226) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028329 k( 227) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028329 k( 228) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028329 k( 229) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028329 k( 230) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028329 k( 231) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028329 k( 232) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028329 k( 233) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028329 k( 234) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028329 k( 235) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028329 k( 236) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028329 k( 237) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028329 k( 238) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028329 k( 239) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028329 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028329 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028329 k( 242) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028329 k( 243) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028329 k( 244) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028329 k( 245) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028329 k( 246) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028329 k( 247) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028329 k( 248) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028329 k( 249) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028329 k( 250) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028329 k( 251) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028329 k( 252) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028329 k( 253) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028329 k( 254) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028329 k( 255) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028329 k( 256) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028329 k( 257) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028329 k( 258) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028329 k( 259) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028329 k( 260) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028329 k( 261) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028329 k( 262) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028329 k( 263) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028329 k( 264) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028329 k( 265) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028329 k( 266) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028329 k( 267) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028329 k( 268) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028329 k( 269) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028329 k( 270) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028329 k( 271) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028329 k( 272) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028329 k( 273) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028329 k( 274) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028329 k( 275) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028329 k( 276) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028329 k( 277) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028329 k( 278) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028329 k( 279) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028329 k( 280) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028329 k( 281) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028329 k( 282) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028329 k( 283) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028329 k( 284) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028329 k( 285) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028329 k( 286) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028329 k( 287) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028329 k( 288) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028329 k( 289) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028329 k( 290) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028329 k( 291) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028329 k( 292) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028329 k( 293) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028329 k( 294) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028329 k( 295) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028329 k( 296) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028329 k( 297) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028329 k( 298) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028329 k( 299) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 300) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 301) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028329 k( 302) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028329 k( 303) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028329 k( 304) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028329 k( 305) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028329 k( 306) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028329 k( 307) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028329 k( 308) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028329 k( 309) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028329 k( 310) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028329 k( 311) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028329 k( 312) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028329 k( 313) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028329 k( 314) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028329 k( 315) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028329 k( 316) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028329 k( 317) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028329 k( 318) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028329 k( 319) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028329 k( 320) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028329 k( 321) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028329 k( 322) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028329 k( 323) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028329 k( 324) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028329 k( 325) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028329 k( 326) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028329 k( 327) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028329 k( 328) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028329 k( 329) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028329 k( 330) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028329 k( 331) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028329 k( 332) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028329 k( 333) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028329 k( 334) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028329 k( 335) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028329 k( 336) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028329 k( 337) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028329 k( 338) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028329 k( 339) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028329 k( 340) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028329 k( 341) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028329 k( 342) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028329 k( 343) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028329 k( 344) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028329 k( 345) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028329 k( 346) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028329 k( 347) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028329 k( 348) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028329 k( 349) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028329 k( 350) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028329 k( 351) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028329 k( 352) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028329 k( 353) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028329 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028329 k( 4) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0028329 k( 5) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0028329 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028329 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028329 k( 8) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0028329 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028329 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028329 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028329 k( 12) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0028329 k( 13) = ( 0.1132076 -0.0000000 0.1132075), wk = 0.0028329 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028329 k( 15) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0028329 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028329 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028329 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028329 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028329 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028329 k( 21) = ( 0.1886792 -0.0000000 0.1886792), wk = 0.0028329 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028329 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028329 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028329 k( 25) = ( 0.2264151 -0.0000000 0.2264151), wk = 0.0028329 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028329 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028329 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028329 k( 29) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0028329 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028329 k( 31) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028329 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028329 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028329 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028329 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028329 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028329 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028329 k( 38) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0028329 k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028329 k( 40) = ( 0.3679245 0.0000000 0.3679245), wk = 0.0028329 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028329 k( 42) = ( 0.3867925 -0.0000000 0.3867924), wk = 0.0028329 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028329 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028329 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028329 k( 46) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0028329 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028329 k( 48) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0028329 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028329 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028329 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028329 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028329 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028329 k( 54) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028329 k( 55) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028329 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028329 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028329 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028329 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028329 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028329 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028329 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028329 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028329 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028329 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028329 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028329 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028329 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028329 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028329 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028329 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028329 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028329 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028329 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028329 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028329 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028329 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028329 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028329 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028329 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028329 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028329 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028329 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028329 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028329 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028329 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028329 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028329 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028329 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028329 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028329 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028329 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028329 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028329 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028329 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028329 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028329 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028329 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028329 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028329 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028329 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028329 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028329 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028329 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028329 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028329 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028329 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028329 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028329 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028329 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028329 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028329 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028329 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028329 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028329 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028329 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028329 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028329 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028329 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028329 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028329 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028329 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028329 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028329 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028329 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028329 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028329 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028329 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028329 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028329 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028329 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028329 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028329 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028329 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028329 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028329 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028329 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028329 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028329 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028329 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028329 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028329 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028329 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028329 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028329 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028329 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028329 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028329 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028329 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028329 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028329 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028329 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028329 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028329 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028329 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028329 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028329 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028329 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028329 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028329 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028329 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028329 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028329 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028329 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028329 k( 170) = ( 0.1086957 0.1086956 0.1086957), wk = 0.0028329 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028329 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028329 k( 173) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028329 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028329 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028329 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028329 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028329 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028329 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028329 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028329 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028329 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028329 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028329 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028329 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028329 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028329 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028329 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028329 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028329 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028329 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028329 k( 193) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028329 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028329 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028329 k( 196) = ( 0.3913044 0.3913043 0.3913044), wk = 0.0028329 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028329 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028329 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028329 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028329 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028329 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028329 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028329 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028329 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028329 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028329 k( 209) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028329 k( 210) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028329 k( 211) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028329 k( 212) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028329 k( 213) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028329 k( 214) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028329 k( 215) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028329 k( 216) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028329 k( 217) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028329 k( 218) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028329 k( 219) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028329 k( 220) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028329 k( 221) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028329 k( 222) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028329 k( 223) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028329 k( 224) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028329 k( 225) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028329 k( 226) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028329 k( 227) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028329 k( 228) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028329 k( 229) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028329 k( 230) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028329 k( 231) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028329 k( 232) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028329 k( 233) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028329 k( 234) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028329 k( 235) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028329 k( 236) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028329 k( 237) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028329 k( 238) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028329 k( 239) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028329 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028329 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028329 k( 242) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028329 k( 243) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028329 k( 244) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028329 k( 245) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028329 k( 246) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028329 k( 247) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028329 k( 248) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028329 k( 249) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028329 k( 250) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028329 k( 251) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028329 k( 252) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028329 k( 253) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028329 k( 254) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028329 k( 255) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028329 k( 256) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028329 k( 257) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028329 k( 258) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028329 k( 259) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028329 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 262) = ( 0.5000000 0.2565789 0.7434210), wk = 0.0028329 k( 263) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028329 k( 264) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028329 k( 265) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028329 k( 266) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028329 k( 267) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028329 k( 268) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028329 k( 269) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028329 k( 270) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028329 k( 271) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028329 k( 272) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028329 k( 273) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028329 k( 274) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028329 k( 275) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028329 k( 276) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028329 k( 277) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028329 k( 278) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028329 k( 279) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028329 k( 280) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028329 k( 281) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028329 k( 282) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028329 k( 283) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028329 k( 284) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028329 k( 285) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028329 k( 286) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028329 k( 287) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028329 k( 288) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028329 k( 289) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028329 k( 290) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028329 k( 291) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028329 k( 292) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028329 k( 293) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028329 k( 294) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028329 k( 295) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028329 k( 296) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028329 k( 297) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028329 k( 298) = ( 0.5000000 0.4934210 0.5065789), wk = 0.0028329 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 301) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028329 k( 302) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028329 k( 303) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028329 k( 304) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028329 k( 305) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028329 k( 306) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028329 k( 307) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028329 k( 308) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028329 k( 309) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028329 k( 310) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028329 k( 311) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028329 k( 312) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0028329 k( 313) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028329 k( 314) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028329 k( 315) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028329 k( 316) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028329 k( 317) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028329 k( 318) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028329 k( 319) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028329 k( 320) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028329 k( 321) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028329 k( 322) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028329 k( 323) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028329 k( 324) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028329 k( 325) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028329 k( 326) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028329 k( 327) = ( 0.3977273 0.3977273 0.7045454), wk = 0.0028329 k( 328) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028329 k( 329) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028329 k( 330) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028329 k( 331) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028329 k( 332) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028329 k( 333) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028329 k( 334) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028329 k( 335) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028329 k( 336) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028329 k( 337) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028329 k( 338) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028329 k( 339) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028329 k( 340) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028329 k( 341) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028329 k( 342) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028329 k( 343) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028329 k( 344) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028329 k( 345) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028329 k( 346) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028329 k( 347) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028329 k( 348) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028329 k( 349) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028329 k( 350) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028329 k( 351) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028329 k( 352) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028329 k( 353) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028329 Dense grid: 49493 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 17933 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 42) NL pseudopotentials 0.12 Mb ( 60, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1375) G-vector shells 0.00 Mb ( 368) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 120, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScAlNi2.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.6 secs Computing kpt #: 15 total cpu time spent up to now is 11.1 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.1 secs Computing kpt #: 18 total cpu time spent up to now is 12.6 secs Computing kpt #: 19 total cpu time spent up to now is 13.2 secs Computing kpt #: 20 total cpu time spent up to now is 13.8 secs Computing kpt #: 21 total cpu time spent up to now is 14.5 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.9 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.9 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.0 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.1 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.2 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.2 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.2 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.3 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.3 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.4 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.4 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.4 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.4 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.5 secs Computing kpt #: 37 total cpu time spent up to now is 30.5 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.6 secs Computing kpt #: 39 total cpu time spent up to now is 32.3 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.3 secs Computing kpt #: 41 total cpu time spent up to now is 34.2 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.2 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 36.3 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.4 secs Computing kpt #: 45 total cpu time spent up to now is 38.0 secs Computing kpt #: 46 total cpu time spent up to now is 38.8 secs Computing kpt #: 47 total cpu time spent up to now is 39.7 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.7 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.7 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.7 secs Computing kpt #: 51 total cpu time spent up to now is 43.3 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.4 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.4 secs Computing kpt #: 54 total cpu time spent up to now is 45.8 secs Computing kpt #: 55 total cpu time spent up to now is 46.2 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.2 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.2 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.2 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.2 secs Computing kpt #: 60 total cpu time spent up to now is 50.8 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.8 secs Computing kpt #: 62 total cpu time spent up to now is 52.4 secs Computing kpt #: 63 total cpu time spent up to now is 53.0 secs Computing kpt #: 64 total cpu time spent up to now is 53.7 secs Computing kpt #: 65 total cpu time spent up to now is 54.0 secs Computing kpt #: 66 total cpu time spent up to now is 54.4 secs Computing kpt #: 67 total cpu time spent up to now is 54.8 secs Computing kpt #: 68 total cpu time spent up to now is 55.3 secs Computing kpt #: 69 total cpu time spent up to now is 55.6 secs Computing kpt #: 70 total cpu time spent up to now is 56.0 secs Computing kpt #: 71 total cpu time spent up to now is 56.3 secs Computing kpt #: 72 total cpu time spent up to now is 56.7 secs Computing kpt #: 73 total cpu time spent up to now is 57.0 secs Computing kpt #: 74 total cpu time spent up to now is 57.3 secs Computing kpt #: 75 total cpu time spent up to now is 57.7 secs Computing kpt #: 76 total cpu time spent up to now is 58.0 secs Computing kpt #: 77 total cpu time spent up to now is 58.3 secs Computing kpt #: 78 total cpu time spent up to now is 58.6 secs Computing kpt #: 79 total cpu time spent up to now is 58.9 secs Computing kpt #: 80 total cpu time spent up to now is 59.3 secs Computing kpt #: 81 total cpu time spent up to now is 59.6 secs Computing kpt #: 82 total cpu time spent up to now is 59.9 secs Computing kpt #: 83 total cpu time spent up to now is 60.2 secs Computing kpt #: 84 total cpu time spent up to now is 60.6 secs Computing kpt #: 85 total cpu time spent up to now is 60.9 secs Computing kpt #: 86 total cpu time spent up to now is 61.2 secs Computing kpt #: 87 total cpu time spent up to now is 61.5 secs Computing kpt #: 88 total cpu time spent up to now is 61.8 secs Computing kpt #: 89 total cpu time spent up to now is 62.2 secs Computing kpt #: 90 total cpu time spent up to now is 62.5 secs Computing kpt #: 91 total cpu time spent up to now is 62.8 secs Computing kpt #: 92 total cpu time spent up to now is 63.3 secs Computing kpt #: 93 total cpu time spent up to now is 63.8 secs Computing kpt #: 94 total cpu time spent up to now is 64.3 secs Computing kpt #: 95 total cpu time spent up to now is 64.9 secs Computing kpt #: 96 total cpu time spent up to now is 65.6 secs Computing kpt #: 97 total cpu time spent up to now is 66.2 secs Computing kpt #: 98 total cpu time spent up to now is 66.8 secs Computing kpt #: 99 total cpu time spent up to now is 67.3 secs Computing kpt #: 100 total cpu time spent up to now is 68.0 secs Computing kpt #: 101 total cpu time spent up to now is 68.6 secs Computing kpt #: 102 total cpu time spent up to now is 69.0 secs Computing kpt #: 103 total cpu time spent up to now is 69.6 secs Computing kpt #: 104 total cpu time spent up to now is 70.0 secs Computing kpt #: 105 total cpu time spent up to now is 70.4 secs Computing kpt #: 106 total cpu time spent up to now is 70.9 secs Computing kpt #: 107 total cpu time spent up to now is 71.4 secs Computing kpt #: 108 total cpu time spent up to now is 72.1 secs Computing kpt #: 109 total cpu time spent up to now is 73.0 secs Computing kpt #: 110 total cpu time spent up to now is 73.6 secs Computing kpt #: 111 total cpu time spent up to now is 74.1 secs Computing kpt #: 112 total cpu time spent up to now is 75.1 secs Computing kpt #: 113 total cpu time spent up to now is 75.7 secs Computing kpt #: 114 total cpu time spent up to now is 76.3 secs Computing kpt #: 115 total cpu time spent up to now is 76.7 secs Computing kpt #: 116 total cpu time spent up to now is 77.1 secs Computing kpt #: 117 total cpu time spent up to now is 77.4 secs Computing kpt #: 118 total cpu time spent up to now is 77.8 secs Computing kpt #: 119 total cpu time spent up to now is 78.2 secs Computing kpt #: 120 total cpu time spent up to now is 78.5 secs Computing kpt #: 121 total cpu time spent up to now is 78.9 secs Computing kpt #: 122 total cpu time spent up to now is 79.2 secs Computing kpt #: 123 total cpu time spent up to now is 79.6 secs Computing kpt #: 124 total cpu time spent up to now is 80.0 secs Computing kpt #: 125 total cpu time spent up to now is 80.4 secs Computing kpt #: 126 total cpu time spent up to now is 80.7 secs Computing kpt #: 127 total cpu time spent up to now is 81.1 secs Computing kpt #: 128 total cpu time spent up to now is 83.1 secs Computing kpt #: 129 total cpu time spent up to now is 83.5 secs Computing kpt #: 130 total cpu time spent up to now is 84.0 secs Computing kpt #: 131 total cpu time spent up to now is 84.6 secs Computing kpt #: 132 total cpu time spent up to now is 85.1 secs Computing kpt #: 133 total cpu time spent up to now is 85.6 secs Computing kpt #: 134 total cpu time spent up to now is 86.1 secs Computing kpt #: 135 total cpu time spent up to now is 86.6 secs Computing kpt #: 136 total cpu time spent up to now is 87.1 secs Computing kpt #: 137 total cpu time spent up to now is 87.6 secs Computing kpt #: 138 total cpu time spent up to now is 88.1 secs Computing kpt #: 139 total cpu time spent up to now is 88.5 secs Computing kpt #: 140 total cpu time spent up to now is 88.9 secs Computing kpt #: 141 total cpu time spent up to now is 89.3 secs Computing kpt #: 142 total cpu time spent up to now is 89.8 secs Computing kpt #: 143 total cpu time spent up to now is 90.3 secs Computing kpt #: 144 total cpu time spent up to now is 90.8 secs Computing kpt #: 145 total cpu time spent up to now is 91.2 secs Computing kpt #: 146 total cpu time spent up to now is 91.6 secs Computing kpt #: 147 total cpu time spent up to now is 92.1 secs Computing kpt #: 148 total cpu time spent up to now is 92.6 secs Computing kpt #: 149 total cpu time spent up to now is 93.0 secs Computing kpt #: 150 total cpu time spent up to now is 93.5 secs Computing kpt #: 151 total cpu time spent up to now is 93.9 secs Computing kpt #: 152 total cpu time spent up to now is 94.5 secs Computing kpt #: 153 total cpu time spent up to now is 94.9 secs Computing kpt #: 154 total cpu time spent up to now is 95.4 secs Computing kpt #: 155 total cpu time spent up to now is 95.9 secs Computing kpt #: 156 total cpu time spent up to now is 96.4 secs Computing kpt #: 157 total cpu time spent up to now is 97.0 secs Computing kpt #: 158 total cpu time spent up to now is 97.4 secs Computing kpt #: 159 total cpu time spent up to now is 97.8 secs Computing kpt #: 160 total cpu time spent up to now is 98.2 secs Computing kpt #: 161 total cpu time spent up to now is 98.6 secs Computing kpt #: 162 total cpu time spent up to now is 99.0 secs Computing kpt #: 163 total cpu time spent up to now is 99.5 secs Computing kpt #: 164 total cpu time spent up to now is 99.9 secs Computing kpt #: 165 total cpu time spent up to now is 100.3 secs Computing kpt #: 166 total cpu time spent up to now is 100.7 secs Computing kpt #: 167 total cpu time spent up to now is 101.1 secs Computing kpt #: 168 total cpu time spent up to now is 101.6 secs Computing kpt #: 169 total cpu time spent up to now is 102.0 secs Computing kpt #: 170 total cpu time spent up to now is 102.4 secs Computing kpt #: 171 total cpu time spent up to now is 102.8 secs Computing kpt #: 172 total cpu time spent up to now is 103.2 secs Computing kpt #: 173 total cpu time spent up to now is 103.5 secs Computing kpt #: 174 total cpu time spent up to now is 103.9 secs Computing kpt #: 175 total cpu time spent up to now is 104.3 secs Computing kpt #: 176 total cpu time spent up to now is 104.7 secs Computing kpt #: 177 total cpu time spent up to now is 105.1 secs Computing kpt #: 178 total cpu time spent up to now is 105.5 secs Computing kpt #: 179 total cpu time spent up to now is 106.0 secs Computing kpt #: 180 total cpu time spent up to now is 106.4 secs Computing kpt #: 181 total cpu time spent up to now is 106.8 secs Computing kpt #: 182 total cpu time spent up to now is 107.3 secs Computing kpt #: 183 total cpu time spent up to now is 107.7 secs Computing kpt #: 184 total cpu time spent up to now is 108.1 secs Computing kpt #: 185 total cpu time spent up to now is 108.6 secs Computing kpt #: 186 total cpu time spent up to now is 109.0 secs Computing kpt #: 187 total cpu time spent up to now is 109.5 secs Computing kpt #: 188 total cpu time spent up to now is 109.9 secs Computing kpt #: 189 total cpu time spent up to now is 110.3 secs Computing kpt #: 190 total cpu time spent up to now is 110.8 secs Computing kpt #: 191 total cpu time spent up to now is 111.2 secs Computing kpt #: 192 total cpu time spent up to now is 111.5 secs Computing kpt #: 193 total cpu time spent up to now is 111.9 secs Computing kpt #: 194 total cpu time spent up to now is 112.3 secs Computing kpt #: 195 total cpu time spent up to now is 112.6 secs Computing kpt #: 196 total cpu time spent up to now is 112.9 secs Computing kpt #: 197 total cpu time spent up to now is 113.2 secs Computing kpt #: 198 total cpu time spent up to now is 113.5 secs Computing kpt #: 199 total cpu time spent up to now is 113.8 secs Computing kpt #: 200 total cpu time spent up to now is 114.1 secs Computing kpt #: 201 total cpu time spent up to now is 114.4 secs Computing kpt #: 202 total cpu time spent up to now is 114.7 secs Computing kpt #: 203 total cpu time spent up to now is 115.0 secs Computing kpt #: 204 total cpu time spent up to now is 115.4 secs Computing kpt #: 205 total cpu time spent up to now is 115.7 secs Computing kpt #: 206 total cpu time spent up to now is 116.0 secs Computing kpt #: 207 total cpu time spent up to now is 116.3 secs Computing kpt #: 208 total cpu time spent up to now is 116.6 secs Computing kpt #: 209 total cpu time spent up to now is 116.9 secs Computing kpt #: 210 total cpu time spent up to now is 117.2 secs Computing kpt #: 211 total cpu time spent up to now is 117.5 secs Computing kpt #: 212 total cpu time spent up to now is 117.8 secs Computing kpt #: 213 total cpu time spent up to now is 118.1 secs Computing kpt #: 214 total cpu time spent up to now is 118.5 secs Computing kpt #: 215 total cpu time spent up to now is 118.9 secs Computing kpt #: 216 total cpu time spent up to now is 119.3 secs Computing kpt #: 217 total cpu time spent up to now is 119.7 secs Computing kpt #: 218 total cpu time spent up to now is 120.1 secs Computing kpt #: 219 total cpu time spent up to now is 120.5 secs Computing kpt #: 220 total cpu time spent up to now is 120.9 secs Computing kpt #: 221 total cpu time spent up to now is 121.2 secs Computing kpt #: 222 total cpu time spent up to now is 121.6 secs Computing kpt #: 223 total cpu time spent up to now is 122.0 secs Computing kpt #: 224 total cpu time spent up to now is 122.4 secs Computing kpt #: 225 total cpu time spent up to now is 122.8 secs Computing kpt #: 226 total cpu time spent up to now is 123.2 secs Computing kpt #: 227 total cpu time spent up to now is 123.6 secs Computing kpt #: 228 total cpu time spent up to now is 124.0 secs Computing kpt #: 229 total cpu time spent up to now is 124.4 secs Computing kpt #: 230 total cpu time spent up to now is 124.8 secs Computing kpt #: 231 total cpu time spent up to now is 125.2 secs Computing kpt #: 232 total cpu time spent up to now is 125.6 secs Computing kpt #: 233 total cpu time spent up to now is 125.9 secs Computing kpt #: 234 total cpu time spent up to now is 126.5 secs Computing kpt #: 235 total cpu time spent up to now is 126.9 secs Computing kpt #: 236 total cpu time spent up to now is 127.3 secs Computing kpt #: 237 total cpu time spent up to now is 127.9 secs Computing kpt #: 238 total cpu time spent up to now is 128.5 secs Computing kpt #: 239 total cpu time spent up to now is 129.0 secs Computing kpt #: 240 total cpu time spent up to now is 129.4 secs Computing kpt #: 241 total cpu time spent up to now is 130.0 secs Computing kpt #: 242 total cpu time spent up to now is 130.5 secs Computing kpt #: 243 total cpu time spent up to now is 131.0 secs Computing kpt #: 244 total cpu time spent up to now is 131.5 secs Computing kpt #: 245 total cpu time spent up to now is 132.1 secs Computing kpt #: 246 total cpu time spent up to now is 132.7 secs Computing kpt #: 247 total cpu time spent up to now is 133.4 secs Computing kpt #: 248 total cpu time spent up to now is 134.1 secs Computing kpt #: 249 total cpu time spent up to now is 134.6 secs Computing kpt #: 250 total cpu time spent up to now is 135.1 secs Computing kpt #: 251 total cpu time spent up to now is 135.6 secs Computing kpt #: 252 total cpu time spent up to now is 135.9 secs Computing kpt #: 253 total cpu time spent up to now is 136.2 secs Computing kpt #: 254 total cpu time spent up to now is 136.6 secs Computing kpt #: 255 total cpu time spent up to now is 136.9 secs Computing kpt #: 256 total cpu time spent up to now is 137.2 secs Computing kpt #: 257 total cpu time spent up to now is 137.5 secs Computing kpt #: 258 total cpu time spent up to now is 137.9 secs Computing kpt #: 259 total cpu time spent up to now is 138.2 secs Computing kpt #: 260 total cpu time spent up to now is 138.5 secs Computing kpt #: 261 total cpu time spent up to now is 138.9 secs Computing kpt #: 262 total cpu time spent up to now is 139.2 secs Computing kpt #: 263 total cpu time spent up to now is 139.5 secs Computing kpt #: 264 total cpu time spent up to now is 139.8 secs Computing kpt #: 265 total cpu time spent up to now is 140.2 secs Computing kpt #: 266 total cpu time spent up to now is 140.5 secs Computing kpt #: 267 total cpu time spent up to now is 140.9 secs Computing kpt #: 268 total cpu time spent up to now is 141.4 secs Computing kpt #: 269 total cpu time spent up to now is 141.9 secs Computing kpt #: 270 total cpu time spent up to now is 145.5 secs Computing kpt #: 271 total cpu time spent up to now is 146.0 secs Computing kpt #: 272 total cpu time spent up to now is 146.5 secs Computing kpt #: 273 total cpu time spent up to now is 147.1 secs Computing kpt #: 274 total cpu time spent up to now is 147.6 secs Computing kpt #: 275 total cpu time spent up to now is 148.1 secs Computing kpt #: 276 total cpu time spent up to now is 148.6 secs Computing kpt #: 277 total cpu time spent up to now is 149.1 secs Computing kpt #: 278 total cpu time spent up to now is 149.5 secs Computing kpt #: 279 total cpu time spent up to now is 149.9 secs Computing kpt #: 280 total cpu time spent up to now is 150.3 secs Computing kpt #: 281 total cpu time spent up to now is 150.7 secs Computing kpt #: 282 total cpu time spent up to now is 151.1 secs Computing kpt #: 283 total cpu time spent up to now is 151.5 secs Computing kpt #: 284 total cpu time spent up to now is 151.9 secs Computing kpt #: 285 total cpu time spent up to now is 152.3 secs Computing kpt #: 286 total cpu time spent up to now is 152.7 secs Computing kpt #: 287 total cpu time spent up to now is 153.0 secs Computing kpt #: 288 total cpu time spent up to now is 153.4 secs Computing kpt #: 289 total cpu time spent up to now is 153.8 secs Computing kpt #: 290 total cpu time spent up to now is 154.2 secs Computing kpt #: 291 total cpu time spent up to now is 154.6 secs Computing kpt #: 292 total cpu time spent up to now is 154.9 secs Computing kpt #: 293 total cpu time spent up to now is 155.2 secs Computing kpt #: 294 total cpu time spent up to now is 155.5 secs Computing kpt #: 295 total cpu time spent up to now is 155.8 secs Computing kpt #: 296 total cpu time spent up to now is 156.1 secs Computing kpt #: 297 total cpu time spent up to now is 156.4 secs Computing kpt #: 298 total cpu time spent up to now is 156.7 secs Computing kpt #: 299 total cpu time spent up to now is 157.1 secs Computing kpt #: 300 total cpu time spent up to now is 157.4 secs Computing kpt #: 301 total cpu time spent up to now is 157.7 secs Computing kpt #: 302 total cpu time spent up to now is 158.0 secs Computing kpt #: 303 total cpu time spent up to now is 158.4 secs Computing kpt #: 304 total cpu time spent up to now is 158.7 secs Computing kpt #: 305 total cpu time spent up to now is 159.0 secs Computing kpt #: 306 total cpu time spent up to now is 159.3 secs Computing kpt #: 307 total cpu time spent up to now is 159.6 secs Computing kpt #: 308 total cpu time spent up to now is 160.0 secs Computing kpt #: 309 total cpu time spent up to now is 160.4 secs Computing kpt #: 310 total cpu time spent up to now is 160.8 secs Computing kpt #: 311 total cpu time spent up to now is 161.2 secs Computing kpt #: 312 total cpu time spent up to now is 161.6 secs Computing kpt #: 313 total cpu time spent up to now is 162.0 secs Computing kpt #: 314 total cpu time spent up to now is 162.4 secs Computing kpt #: 315 total cpu time spent up to now is 162.7 secs Computing kpt #: 316 total cpu time spent up to now is 163.1 secs Computing kpt #: 317 total cpu time spent up to now is 163.5 secs Computing kpt #: 318 total cpu time spent up to now is 163.9 secs Computing kpt #: 319 total cpu time spent up to now is 164.3 secs Computing kpt #: 320 total cpu time spent up to now is 164.7 secs Computing kpt #: 321 total cpu time spent up to now is 165.1 secs Computing kpt #: 322 total cpu time spent up to now is 165.4 secs Computing kpt #: 323 total cpu time spent up to now is 165.8 secs Computing kpt #: 324 total cpu time spent up to now is 166.3 secs Computing kpt #: 325 total cpu time spent up to now is 166.7 secs Computing kpt #: 326 total cpu time spent up to now is 167.2 secs Computing kpt #: 327 total cpu time spent up to now is 167.6 secs Computing kpt #: 328 total cpu time spent up to now is 168.0 secs Computing kpt #: 329 total cpu time spent up to now is 168.4 secs Computing kpt #: 330 total cpu time spent up to now is 169.0 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.0 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.1 secs Computing kpt #: 333 total cpu time spent up to now is 171.6 secs Computing kpt #: 334 total cpu time spent up to now is 172.1 secs Computing kpt #: 335 total cpu time spent up to now is 172.6 secs Computing kpt #: 336 total cpu time spent up to now is 173.2 secs Computing kpt #: 337 total cpu time spent up to now is 173.7 secs Computing kpt #: 338 total cpu time spent up to now is 174.2 secs Computing kpt #: 339 total cpu time spent up to now is 174.7 secs Computing kpt #: 340 total cpu time spent up to now is 175.2 secs Computing kpt #: 341 total cpu time spent up to now is 175.7 secs Computing kpt #: 342 total cpu time spent up to now is 176.3 secs Computing kpt #: 343 total cpu time spent up to now is 176.9 secs Computing kpt #: 344 total cpu time spent up to now is 177.6 secs Computing kpt #: 345 total cpu time spent up to now is 178.3 secs Computing kpt #: 346 total cpu time spent up to now is 179.2 secs Computing kpt #: 347 total cpu time spent up to now is 179.8 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.8 secs Computing kpt #: 349 total cpu time spent up to now is 181.4 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.4 secs Computing kpt #: 351 total cpu time spent up to now is 183.2 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.2 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.2 secs ethr = 2.94E-08, avg # of iterations = 41.8 total cpu time spent up to now is 185.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4556 -15.4556 -14.9546 -14.9546 -14.9546 -14.9546 3.3497 3.3497 9.2008 9.2008 9.2008 9.2008 9.3393 9.3393 9.3393 9.3393 9.4220 9.4220 10.7010 10.7010 10.7010 10.7010 10.8148 10.8148 11.3915 11.3915 11.3915 11.3915 12.1577 12.1577 12.2116 12.2116 12.2116 12.2116 15.0610 15.0610 15.0610 15.0610 16.6722 16.6722 k = 0.0094-0.0054 0.0077 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4556 -15.4556 -14.9546 -14.9546 -14.9546 -14.9546 3.3513 3.3513 9.1979 9.1979 9.2014 9.2014 9.3398 9.3398 9.3412 9.3412 9.4226 9.4226 10.7008 10.7008 10.7010 10.7010 10.8147 10.8147 11.3868 11.3868 11.3915 11.3915 12.1578 12.1578 12.2103 12.2103 12.2126 12.2126 15.0559 15.0559 15.0606 15.0606 16.6742 16.6742 k = 0.0189-0.0109 0.0154 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4557 -15.4557 -14.9547 -14.9547 -14.9546 -14.9546 3.3562 3.3562 9.1897 9.1897 9.2029 9.2029 9.3412 9.3412 9.3465 9.3465 9.4246 9.4246 10.7003 10.7003 10.7011 10.7011 10.8144 10.8144 11.3731 11.3731 11.3914 11.3914 12.1572 12.1572 12.2063 12.2063 12.2163 12.2163 15.0408 15.0408 15.0593 15.0593 16.6790 16.6790 k = 0.0283-0.0163 0.0231 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4558 -15.4558 -14.9548 -14.9548 -14.9547 -14.9547 3.3643 3.3643 9.1769 9.1769 9.2054 9.2054 9.3434 9.3434 9.3542 9.3542 9.4279 9.4279 10.6993 10.6993 10.7011 10.7011 10.8137 10.8137 11.3510 11.3510 11.3913 11.3913 12.1545 12.1545 12.1997 12.1997 12.2236 12.2236 15.0159 15.0159 15.0571 15.0571 16.6841 16.6842 k = 0.0377-0.0218 0.0308 ( 2221 PWs) bands (ev): -36.4187 -36.4187 -15.4559 -15.4559 -14.9549 -14.9549 -14.9547 -14.9547 3.3757 3.3757 9.1609 9.1609 9.2089 9.2089 9.3466 9.3466 9.3636 9.3636 9.4325 9.4325 10.6978 10.6978 10.7012 10.7012 10.8128 10.8128 11.3216 11.3216 11.3911 11.3911 12.1484 12.1484 12.1907 12.1907 12.2350 12.2350 14.9820 14.9820 15.0541 15.0541 16.6896 16.6897 k = 0.0472-0.0272 0.0385 ( 2217 PWs) bands (ev): -36.4187 -36.4187 -15.4560 -15.4560 -14.9552 -14.9552 -14.9548 -14.9548 3.3902 3.3902 9.1418 9.1418 9.2135 9.2135 9.3506 9.3506 9.3737 9.3737 9.4385 9.4385 10.6955 10.6955 10.7013 10.7013 10.8114 10.8114 11.2862 11.2862 11.3909 11.3909 12.1389 12.1389 12.1792 12.1792 12.2499 12.2499 14.9396 14.9396 15.0501 15.0501 16.6962 16.6962 k = 0.0566-0.0327 0.0462 ( 2205 PWs) bands (ev): -36.4186 -36.4186 -15.4561 -15.4561 -14.9554 -14.9554 -14.9549 -14.9549 3.4080 3.4080 9.1202 9.1202 9.2190 9.2190 9.3556 9.3556 9.3842 9.3842 9.4457 9.4457 10.6922 10.6922 10.7014 10.7014 10.8095 10.8095 11.2462 11.2462 11.3906 11.3906 12.1265 12.1265 12.1656 12.1656 12.2671 12.2671 14.8898 14.8898 15.0454 15.0454 16.7040 16.7040 k = 0.0660-0.0381 0.0539 ( 2209 PWs) bands (ev): -36.4186 -36.4186 -15.4564 -15.4564 -14.9558 -14.9558 -14.9550 -14.9550 3.4290 3.4290 9.0966 9.0966 9.2255 9.2255 9.3614 9.3614 9.3949 9.3949 9.4542 9.4542 10.6874 10.6874 10.7013 10.7013 10.8068 10.8068 11.2032 11.2032 11.3903 11.3903 12.1112 12.1112 12.1497 12.1497 12.2857 12.2857 14.8332 14.8332 15.0397 15.0397 16.7131 16.7131 k = 0.0755-0.0436 0.0616 ( 2201 PWs) bands (ev): -36.4186 -36.4186 -15.4566 -15.4566 -14.9561 -14.9561 -14.9551 -14.9551 3.4532 3.4532 9.0710 9.0710 9.2329 9.2329 9.3681 9.3681 9.4057 9.4057 9.4639 9.4639 10.6805 10.6805 10.7013 10.7013 10.8035 10.8035 11.1587 11.1587 11.3899 11.3899 12.0937 12.0937 12.1320 12.1320 12.3049 12.3049 14.7710 14.7710 15.0333 15.0333 16.7234 16.7234 k = 0.0849-0.0490 0.0693 ( 2209 PWs) bands (ev): -36.4185 -36.4185 -15.4569 -15.4569 -14.9566 -14.9566 -14.9553 -14.9553 3.4805 3.4805 9.0437 9.0437 9.2413 9.2413 9.3757 9.3757 9.4166 9.4166 9.4746 9.4746 10.6704 10.6704 10.7011 10.7011 10.7991 10.7991 11.1145 11.1145 11.3895 11.3895 12.0741 12.0741 12.1124 12.1124 12.3240 12.3240 14.7039 14.7039 15.0259 15.0259 16.7350 16.7350 k = 0.0943-0.0545 0.0770 ( 2201 PWs) bands (ev): -36.4185 -36.4185 -15.4571 -15.4571 -14.9570 -14.9570 -14.9555 -14.9555 3.5109 3.5109 9.0147 9.0147 9.2508 9.2508 9.3840 9.3840 9.4278 9.4278 9.4861 9.4861 10.6559 10.6559 10.7010 10.7010 10.7940 10.7940 11.0727 11.0727 11.3890 11.3890 12.0528 12.0528 12.0913 12.0913 12.3427 12.3427 14.6326 14.6326 15.0179 15.0179 16.7478 16.7478 k = 0.1038-0.0599 0.0847 ( 2201 PWs) bands (ev): -36.4184 -36.4184 -15.4575 -15.4575 -14.9576 -14.9576 -14.9557 -14.9557 3.5445 3.5445 8.9840 8.9840 9.2610 9.2610 9.3932 9.3932 9.4392 9.4392 9.4984 9.4984 10.6351 10.6351 10.7008 10.7008 10.7883 10.7883 11.0352 11.0352 11.3885 11.3885 12.0300 12.0300 12.0688 12.0688 12.3607 12.3607 14.5580 14.5580 15.0090 15.0090 16.7618 16.7618 k = 0.1132-0.0654 0.0924 ( 2205 PWs) bands (ev): -36.4183 -36.4183 -15.4578 -15.4578 -14.9582 -14.9582 -14.9559 -14.9559 3.5811 3.5811 8.9517 8.9517 9.2720 9.2720 9.4032 9.4032 9.4511 9.4511 9.5113 9.5113 10.6065 10.6065 10.7005 10.7005 10.7825 10.7825 11.0035 11.0035 11.3880 11.3880 12.0060 12.0060 12.0452 12.0452 12.3777 12.3777 14.4806 14.4806 14.9993 14.9993 16.7769 16.7769 k = 0.1226-0.0708 0.1001 ( 2201 PWs) bands (ev): -36.4183 -36.4183 -15.4582 -15.4582 -14.9587 -14.9587 -14.9561 -14.9561 3.6208 3.6208 8.9179 8.9179 9.2839 9.2839 9.4140 9.4140 9.4633 9.4633 9.5247 9.5247 10.5692 10.5692 10.7001 10.7001 10.7770 10.7770 10.9786 10.9786 11.3874 11.3874 11.9811 11.9811 12.0206 12.0206 12.3938 12.3938 14.4012 14.4012 14.9889 14.9889 16.7932 16.7932 k = 0.1321-0.0763 0.1078 ( 2213 PWs) bands (ev): -36.4182 -36.4182 -15.4586 -15.4586 -14.9594 -14.9594 -14.9564 -14.9564 3.6634 3.6634 8.8826 8.8826 9.2965 9.2965 9.4255 9.4255 9.4760 9.4760 9.5384 9.5384 10.5237 10.5237 10.6994 10.6994 10.7720 10.7720 10.9599 10.9599 11.3867 11.3867 11.9553 11.9553 11.9953 11.9953 12.4086 12.4086 14.3199 14.3199 14.9778 14.9778 16.8104 16.8104 k = 0.1415-0.0817 0.1155 ( 2213 PWs) bands (ev): -36.4181 -36.4181 -15.4590 -15.4590 -14.9601 -14.9601 -14.9566 -14.9566 3.7090 3.7090 8.8461 8.8461 9.3100 9.3100 9.4378 9.4378 9.4893 9.4893 9.5525 9.5525 10.4711 10.4711 10.6985 10.6985 10.7679 10.7679 10.9465 10.9465 11.3861 11.3861 11.9291 11.9291 11.9697 11.9697 12.4223 12.4223 14.2372 14.2372 14.9659 14.9659 16.8287 16.8287 k = 0.1509-0.0871 0.1232 ( 2213 PWs) bands (ev): -36.4181 -36.4181 -15.4595 -15.4595 -14.9608 -14.9608 -14.9569 -14.9569 3.7576 3.7576 8.8082 8.8082 9.3241 9.3241 9.4508 9.4508 9.5032 9.5032 9.5667 9.5667 10.4131 10.4131 10.6973 10.6973 10.7643 10.7643 10.9372 10.9372 11.3854 11.3854 11.9026 11.9026 11.9437 11.9437 12.4349 12.4349 14.1536 14.1536 14.9534 14.9534 16.8479 16.8479 k = 0.1604-0.0926 0.1309 ( 2221 PWs) bands (ev): -36.4180 -36.4180 -15.4600 -15.4600 -14.9615 -14.9615 -14.9572 -14.9572 3.8089 3.8089 8.7692 8.7692 9.3390 9.3390 9.4644 9.4644 9.5176 9.5176 9.5811 9.5811 10.3510 10.3510 10.6958 10.6958 10.7611 10.7611 10.9309 10.9309 11.3847 11.3847 11.8761 11.8761 11.9176 11.9176 12.4462 12.4462 14.0692 14.0692 14.9402 14.9402 16.8678 16.8678 k = 0.1698-0.0980 0.1387 ( 2225 PWs) bands (ev): -36.4179 -36.4179 -15.4604 -15.4604 -14.9623 -14.9623 -14.9575 -14.9575 3.8631 3.8631 8.7290 8.7290 9.3546 9.3546 9.4787 9.4787 9.5326 9.5326 9.5955 9.5955 10.2862 10.2862 10.6938 10.6938 10.7582 10.7582 10.9268 10.9268 11.3839 11.3839 11.8498 11.8498 11.8918 11.8918 12.4564 12.4564 13.9843 13.9843 14.9264 14.9264 16.8885 16.8885 k = 0.1792-0.1035 0.1464 ( 2217 PWs) bands (ev): -36.4178 -36.4178 -15.4609 -15.4609 -14.9631 -14.9631 -14.9577 -14.9577 3.9201 3.9201 8.6879 8.6879 9.3710 9.3710 9.4936 9.4936 9.5482 9.5482 9.6100 9.6100 10.2197 10.2197 10.6915 10.6915 10.7552 10.7552 10.9244 10.9244 11.3832 11.3832 11.8240 11.8240 11.8663 11.8663 12.4656 12.4656 13.8990 13.8990 14.9120 14.9120 16.9097 16.9097 k = 0.1887-0.1089 0.1541 ( 2217 PWs) bands (ev): -36.4177 -36.4177 -15.4614 -15.4614 -14.9639 -14.9639 -14.9581 -14.9581 3.9797 3.9797 8.6458 8.6458 9.3877 9.3877 9.5091 9.5091 9.5643 9.5643 9.6242 9.6242 10.1522 10.1522 10.6887 10.6887 10.7521 10.7521 10.9231 10.9231 11.3824 11.3824 11.7988 11.7988 11.8414 11.8414 12.4737 12.4737 13.8135 13.8135 14.8971 14.8971 16.9312 16.9312 k = 0.1981-0.1144 0.1618 ( 2217 PWs) bands (ev): -36.4176 -36.4176 -15.4619 -15.4619 -14.9647 -14.9647 -14.9584 -14.9584 4.0419 4.0419 8.6029 8.6029 9.4050 9.4050 9.5250 9.5250 9.5810 9.5810 9.6383 9.6383 10.0842 10.0842 10.6854 10.6854 10.7486 10.7486 10.9226 10.9226 11.3816 11.3816 11.7744 11.7744 11.8172 11.8172 12.4808 12.4808 13.7279 13.7279 14.8817 14.8817 16.9526 16.9526 k = 0.2075-0.1198 0.1695 ( 2225 PWs) bands (ev): -36.4175 -36.4175 -15.4625 -15.4625 -14.9655 -14.9655 -14.9587 -14.9587 4.1067 4.1067 8.5593 8.5593 9.4227 9.4227 9.5411 9.5411 9.5981 9.5981 9.6520 9.6520 10.0165 10.0165 10.6815 10.6815 10.7446 10.7446 10.9229 10.9229 11.3807 11.3807 11.7510 11.7510 11.7938 11.7938 12.4870 12.4870 13.6422 13.6422 14.8657 14.8657 16.9727 16.9728 k = 0.2170-0.1253 0.1772 ( 2225 PWs) bands (ev): -36.4174 -36.4174 -15.4630 -15.4630 -14.9663 -14.9663 -14.9591 -14.9591 4.1740 4.1740 8.5151 8.5151 9.4409 9.4409 9.5575 9.5575 9.6157 9.6157 9.6654 9.6654 9.9494 9.9494 10.6769 10.6769 10.7401 10.7401 10.9237 10.9237 11.3799 11.3799 11.7289 11.7289 11.7715 11.7715 12.4922 12.4922 13.5566 13.5566 14.8494 14.8494 16.9762 16.9774 k = 0.2264-0.1307 0.1849 ( 2229 PWs) bands (ev): -36.4174 -36.4174 -15.4636 -15.4636 -14.9672 -14.9672 -14.9594 -14.9594 4.2436 4.2436 8.4705 8.4705 9.4594 9.4594 9.5735 9.5735 9.6338 9.6338 9.6782 9.6782 9.8838 9.8838 10.6716 10.6716 10.7347 10.7347 10.9249 10.9249 11.3791 11.3791 11.7081 11.7081 11.7504 11.7504 12.4967 12.4967 13.4710 13.4710 14.8326 14.8326 16.9239 16.9247 k = 0.2358-0.1362 0.1926 ( 2221 PWs) bands (ev): -36.4173 -36.4173 -15.4641 -15.4641 -14.9680 -14.9680 -14.9597 -14.9597 4.3155 4.3155 8.4255 8.4255 9.4783 9.4783 9.5884 9.5884 9.6522 9.6522 9.6905 9.6905 9.8208 9.8208 10.6655 10.6655 10.7285 10.7285 10.9265 10.9265 11.3783 11.3783 11.6889 11.6889 11.7306 11.7306 12.5005 12.5005 13.3856 13.3856 14.8156 14.8156 16.8582 16.8603 k = 0.2453-0.1416 0.2003 ( 2221 PWs) bands (ev): -36.4172 -36.4172 -15.4646 -15.4646 -14.9688 -14.9688 -14.9601 -14.9601 4.3896 4.3896 8.3802 8.3802 9.4974 9.4974 9.5996 9.5996 9.6709 9.6709 9.7021 9.7021 9.7628 9.7628 10.6587 10.6587 10.7213 10.7213 10.9283 10.9283 11.3775 11.3775 11.6713 11.6713 11.7122 11.7122 12.5036 12.5036 13.3005 13.3005 14.7982 14.7982 16.7865 16.7881 k = 0.2547-0.1471 0.2080 ( 2221 PWs) bands (ev): -36.4171 -36.4171 -15.4651 -15.4651 -14.9697 -14.9697 -14.9604 -14.9604 4.4657 4.4657 8.3347 8.3347 9.5166 9.5166 9.5998 9.5998 9.6896 9.6896 9.7132 9.7132 9.7176 9.7176 10.6511 10.6511 10.7131 10.7131 10.9304 10.9304 11.3767 11.3767 11.6555 11.6555 11.6953 11.6953 12.5060 12.5060 13.2156 13.2156 14.7807 14.7807 16.7109 16.7138 k = 0.2642-0.1525 0.2157 ( 2221 PWs) bands (ev): -36.4170 -36.4170 -15.4657 -15.4657 -14.9705 -14.9705 -14.9607 -14.9607 4.5439 4.5439 8.2891 8.2891 9.5360 9.5360 9.5751 9.5751 9.6991 9.6991 9.7077 9.7077 9.7241 9.7241 10.6425 10.6425 10.7038 10.7038 10.9328 10.9328 11.3759 11.3759 11.6414 11.6414 11.6799 11.6799 12.5078 12.5078 13.1311 13.1311 14.7630 14.7630 16.6325 16.6333 k = 0.2736-0.1580 0.2234 ( 2229 PWs) bands (ev): -36.4169 -36.4169 -15.4663 -15.4663 -14.9714 -14.9714 -14.9611 -14.9611 4.6238 4.6238 8.2435 8.2435 9.5288 9.5288 9.5556 9.5556 9.7038 9.7038 9.7229 9.7229 9.7371 9.7371 10.6331 10.6331 10.6934 10.6934 10.9353 10.9353 11.3752 11.3752 11.6292 11.6292 11.6662 11.6662 12.5090 12.5090 13.0471 13.0471 14.7451 14.7451 16.5542 16.5578 k = 0.2830-0.1634 0.2311 ( 2225 PWs) bands (ev): -36.4168 -36.4168 -15.4668 -15.4668 -14.9722 -14.9722 -14.9614 -14.9614 4.7054 4.7054 8.1980 8.1980 9.4755 9.4755 9.5750 9.5750 9.7179 9.7179 9.7328 9.7328 9.7543 9.7543 10.6228 10.6228 10.6818 10.6818 10.9379 10.9379 11.3745 11.3745 11.6189 11.6189 11.6541 11.6541 12.5099 12.5099 12.9640 12.9640 14.7273 14.7273 16.4718 16.4766 k = 0.2925-0.1688 0.2388 ( 2233 PWs) bands (ev): -36.4167 -36.4167 -15.4673 -15.4673 -14.9730 -14.9730 -14.9618 -14.9618 4.7886 4.7886 8.1527 8.1527 9.4207 9.4207 9.5943 9.5943 9.7356 9.7356 9.7394 9.7394 9.7736 9.7736 10.6116 10.6116 10.6690 10.6690 10.9406 10.9406 11.3737 11.3737 11.6105 11.6105 11.6437 11.6437 12.5103 12.5103 12.8815 12.8815 14.7094 14.7094 16.3909 16.3955 k = 0.3019-0.1743 0.2465 ( 2233 PWs) bands (ev): -36.4166 -36.4166 -15.4678 -15.4678 -14.9738 -14.9738 -14.9621 -14.9621 4.8732 4.8732 8.1077 8.1077 9.3664 9.3664 9.6135 9.6135 9.7438 9.7438 9.7550 9.7550 9.7937 9.7937 10.5995 10.5995 10.6552 10.6552 10.9435 10.9435 11.3730 11.3730 11.6039 11.6039 11.6349 11.6349 12.5103 12.5103 12.8000 12.8000 14.6916 14.6916 16.3104 16.3143 k = 0.3113-0.1797 0.2542 ( 2237 PWs) bands (ev): -36.4165 -36.4165 -15.4683 -15.4683 -14.9746 -14.9746 -14.9624 -14.9624 4.9590 4.9590 8.0629 8.0629 9.3135 9.3135 9.6325 9.6325 9.7463 9.7463 9.7753 9.7753 9.8142 9.8142 10.5866 10.5866 10.6403 10.6403 10.9465 10.9465 11.3724 11.3724 11.5991 11.5991 11.6277 11.6277 12.5101 12.5101 12.7198 12.7198 14.6740 14.6740 16.2307 16.2370 k = 0.3208-0.1852 0.2619 ( 2241 PWs) bands (ev): -36.4164 -36.4164 -15.4688 -15.4688 -14.9753 -14.9753 -14.9627 -14.9627 5.0457 5.0457 8.0185 8.0185 9.2623 9.2623 9.6513 9.6513 9.7468 9.7468 9.7961 9.7961 9.8348 9.8348 10.5728 10.5728 10.6244 10.6244 10.9495 10.9495 11.3718 11.3718 11.5959 11.5959 11.6220 11.6220 12.5096 12.5096 12.6411 12.6411 14.6567 14.6567 16.1527 16.1546 k = 0.3302-0.1906 0.2696 ( 2233 PWs) bands (ev): -36.4163 -36.4163 -15.4693 -15.4693 -14.9760 -14.9760 -14.9630 -14.9630 5.1333 5.1333 7.9746 7.9746 9.2131 9.2131 9.6696 9.6696 9.7455 9.7455 9.8174 9.8174 9.8557 9.8557 10.5584 10.5584 10.6076 10.6076 10.9526 10.9526 11.3713 11.3713 11.5943 11.5943 11.6178 11.6178 12.5089 12.5089 12.5644 12.5644 14.6396 14.6396 16.0765 16.0770 k = 0.3396-0.1961 0.2773 ( 2233 PWs) bands (ev): -36.4163 -36.4163 -15.4697 -15.4697 -14.9767 -14.9767 -14.9633 -14.9633 5.2213 5.2213 7.9310 7.9310 9.1661 9.1661 9.6875 9.6875 9.7421 9.7421 9.8391 9.8391 9.8766 9.8766 10.5432 10.5432 10.5900 10.5900 10.9557 10.9557 11.3707 11.3707 11.5941 11.5941 11.6149 11.6149 12.4898 12.4898 12.5080 12.5080 14.6229 14.6229 16.0022 16.0025 k = 0.3491-0.2015 0.2850 ( 2233 PWs) bands (ev): -36.4162 -36.4162 -15.4702 -15.4702 -14.9774 -14.9774 -14.9636 -14.9636 5.3097 5.3097 7.8880 7.8880 9.1213 9.1213 9.7049 9.7049 9.7367 9.7367 9.8609 9.8609 9.8975 9.8975 10.5274 10.5274 10.5716 10.5716 10.9587 10.9587 11.3703 11.3703 11.5951 11.5951 11.6132 11.6132 12.4177 12.4177 12.5069 12.5069 14.6067 14.6067 15.9306 15.9330 k = 0.3585-0.2070 0.2927 ( 2221 PWs) bands (ev): -36.4161 -36.4161 -15.4706 -15.4706 -14.9779 -14.9779 -14.9638 -14.9638 5.3981 5.3981 7.8455 7.8455 9.0789 9.0789 9.7217 9.7217 9.7294 9.7294 9.8830 9.8830 9.9185 9.9185 10.5110 10.5110 10.5525 10.5525 10.9617 10.9617 11.3699 11.3699 11.5973 11.5973 11.6127 11.6127 12.3485 12.3485 12.5058 12.5058 14.5909 14.5909 15.8618 15.8623 k = 0.3679-0.2124 0.3004 ( 2221 PWs) bands (ev): -36.4160 -36.4160 -15.4710 -15.4710 -14.9785 -14.9785 -14.9641 -14.9641 5.4861 5.4861 7.8034 7.8034 9.0389 9.0389 9.7199 9.7199 9.7378 9.7378 9.9051 9.9051 9.9394 9.9394 10.4940 10.4940 10.5329 10.5329 10.9647 10.9647 11.3695 11.3695 11.6004 11.6004 11.6130 11.6130 12.2825 12.2825 12.5045 12.5045 14.5758 14.5758 15.7960 15.7998 k = 0.3774-0.2179 0.3081 ( 2229 PWs) bands (ev): -36.4160 -36.4160 -15.4714 -15.4714 -14.9791 -14.9791 -14.9643 -14.9643 5.5734 5.5734 7.7619 7.7619 9.0015 9.0015 9.7085 9.7085 9.7532 9.7532 9.9273 9.9273 9.9603 9.9603 10.4765 10.4765 10.5127 10.5127 10.9675 10.9675 11.3691 11.3691 11.6042 11.6042 11.6141 11.6141 12.2200 12.2200 12.5032 12.5032 14.5613 14.5613 15.7334 15.7337 k = 0.3868-0.2233 0.3158 ( 2237 PWs) bands (ev): -36.4159 -36.4159 -15.4718 -15.4718 -14.9797 -14.9797 -14.9646 -14.9646 5.6596 5.6596 7.7209 7.7209 8.9665 8.9665 9.6955 9.6955 9.7678 9.7678 9.9495 9.9495 9.9811 9.9811 10.4587 10.4587 10.4922 10.4922 10.9699 10.9699 11.3688 11.3688 11.6087 11.6087 11.6159 11.6159 12.1614 12.1614 12.5018 12.5018 14.5475 14.5475 15.6745 15.6753 k = 0.3962-0.2288 0.3235 ( 2241 PWs) bands (ev): -36.4158 -36.4158 -15.4721 -15.4721 -14.9802 -14.9802 -14.9648 -14.9648 5.7441 5.7441 7.6804 7.6804 8.9342 8.9342 9.6809 9.6809 9.7815 9.7815 9.9716 9.9716 10.0017 10.0017 10.4406 10.4406 10.4714 10.4714 10.9725 10.9725 11.3685 11.3685 11.6135 11.6135 11.6181 11.6181 12.1071 12.1071 12.5005 12.5005 14.5346 14.5346 15.6193 15.6196 k = 0.4057-0.2342 0.3312 ( 2249 PWs) bands (ev): -36.4158 -36.4158 -15.4724 -15.4724 -14.9807 -14.9807 -14.9650 -14.9650 5.8265 5.8265 7.6407 7.6407 8.9046 8.9046 9.6653 9.6653 9.7942 9.7942 9.9938 9.9938 10.0223 10.0223 10.4222 10.4222 10.4504 10.4504 10.9749 10.9749 11.3683 11.3683 11.6187 11.6187 11.6205 11.6205 12.0572 12.0572 12.4992 12.4992 14.5225 14.5225 15.5684 15.5698 k = 0.4151-0.2397 0.3389 ( 2241 PWs) bands (ev): -36.4157 -36.4157 -15.4727 -15.4727 -14.9811 -14.9811 -14.9652 -14.9652 5.9061 5.9061 7.6020 7.6020 8.8777 8.8777 9.6488 9.6488 9.8060 9.8060 10.0159 10.0159 10.0427 10.0427 10.4036 10.4036 10.4292 10.4292 10.9772 10.9772 11.3681 11.3681 11.6231 11.6231 11.6239 11.6239 12.0120 12.0120 12.4980 12.4980 14.5114 14.5114 15.5213 15.5215 k = 0.4245-0.2451 0.3466 ( 2241 PWs) bands (ev): -36.4157 -36.4157 -15.4729 -15.4729 -14.9815 -14.9815 -14.9654 -14.9654 5.9823 5.9823 7.5642 7.5642 8.8536 8.8536 9.6321 9.6321 9.8167 9.8167 10.0378 10.0378 10.0630 10.0630 10.3849 10.3849 10.4080 10.4080 10.9793 10.9793 11.3679 11.3679 11.6257 11.6257 11.6291 11.6291 11.9717 11.9717 12.4969 12.4969 14.5012 14.5012 15.4785 15.4788 k = 0.4340-0.2505 0.3543 ( 2244 PWs) bands (ev): -36.4156 -36.4156 -15.4732 -15.4732 -14.9818 -14.9818 -14.9655 -14.9655 6.0540 6.0540 7.5278 7.5278 8.8322 8.8322 9.6155 9.6155 9.8263 9.8263 10.0596 10.0596 10.0831 10.0831 10.3661 10.3661 10.3868 10.3868 10.9811 10.9811 11.3678 11.3678 11.6280 11.6280 11.6341 11.6341 11.9364 11.9364 12.4957 12.4957 14.4922 14.4922 15.4405 15.4406 k = 0.4434-0.2560 0.3620 ( 2240 PWs) bands (ev): -36.4156 -36.4156 -15.4734 -15.4734 -14.9821 -14.9821 -14.9656 -14.9656 6.1204 6.1204 7.4934 7.4934 8.8136 8.8136 9.5998 9.5998 9.8347 9.8347 10.0811 10.0811 10.1030 10.1030 10.3473 10.3473 10.3657 10.3657 10.9828 10.9828 11.3677 11.3677 11.6300 11.6300 11.6387 11.6387 11.9060 11.9060 12.4949 12.4949 14.4842 14.4842 15.4074 15.4151 k = 0.4528-0.2614 0.3697 ( 2240 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9823 -14.9823 -14.9657 -14.9657 6.1803 6.1803 7.4615 7.4615 8.7979 8.7979 9.5852 9.5852 9.8419 9.8419 10.1022 10.1022 10.1226 10.1226 10.3286 10.3286 10.3449 10.3449 10.9842 10.9842 11.3677 11.3677 11.6316 11.6316 11.6429 11.6429 11.8807 11.8807 12.4940 12.4940 14.4773 14.4773 15.3789 15.3790 k = 0.4623-0.2669 0.3774 ( 2240 PWs) bands (ev): -36.4156 -36.4156 -15.4737 -15.4737 -14.9825 -14.9825 -14.9658 -14.9658 6.2324 6.2324 7.4331 7.4331 8.7849 8.7849 9.5724 9.5724 9.8478 9.8478 10.1227 10.1227 10.1418 10.1418 10.3100 10.3100 10.3246 10.3246 10.9854 10.9854 11.3676 11.3676 11.6328 11.6328 11.6464 11.6464 11.8603 11.8603 12.4933 12.4933 14.4717 14.4717 15.3552 15.3555 k = 0.4717-0.2723 0.3851 ( 2240 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9827 -14.9827 -14.9659 -14.9659 6.2751 6.2751 7.4092 7.4092 8.7749 8.7749 9.5620 9.5620 9.8525 9.8525 10.1421 10.1421 10.1603 10.1603 10.2920 10.2920 10.3054 10.3054 10.9863 10.9863 11.3676 11.3676 11.6336 11.6336 11.6493 11.6493 11.8447 11.8447 12.4928 12.4928 14.4673 14.4673 15.3371 15.3372 k = 0.4811-0.2778 0.3928 ( 2224 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9828 -14.9828 -14.9659 -14.9659 6.3071 6.3071 7.3910 7.3910 8.7678 8.7678 9.5543 9.5543 9.8558 9.8558 10.1595 10.1595 10.1777 10.1777 10.2752 10.2752 10.2882 10.2882 10.9869 10.9869 11.3677 11.3677 11.6341 11.6341 11.6515 11.6515 11.8337 11.8337 12.4924 12.4924 14.4641 14.4641 15.3237 15.3243 k = 0.4906-0.2832 0.4005 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9659 -14.9659 6.3269 6.3269 7.3795 7.3795 8.7634 8.7634 9.5494 9.5494 9.8578 9.8578 10.1727 10.1727 10.1918 10.1918 10.2612 10.2612 10.2751 10.2751 10.9873 10.9873 11.3677 11.3677 11.6343 11.6343 11.6527 11.6527 11.8272 11.8272 12.4922 12.4922 14.4622 14.4622 15.3157 15.3168 k = 0.5000-0.2887 0.4082 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3336 6.3336 7.3756 7.3756 8.7620 8.7620 9.5478 9.5478 9.8585 9.8585 10.1778 10.1778 10.1980 10.1980 10.2550 10.2550 10.2699 10.2699 10.9874 10.9874 11.3677 11.3677 11.6343 11.6343 11.6531 11.6531 11.8251 11.8251 12.4921 12.4921 14.4615 14.4615 15.3130 15.3130 k = 0.5000-0.2887 0.4082 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3336 6.3336 7.3756 7.3756 8.7620 8.7620 9.5478 9.5478 9.8585 9.8585 10.1778 10.1778 10.1980 10.1980 10.2550 10.2550 10.2699 10.2699 10.9874 10.9874 11.3677 11.3677 11.6343 11.6343 11.6531 11.6531 11.8251 11.8251 12.4921 12.4921 14.4615 14.4615 15.3130 15.3130 k = 0.5000-0.2780 0.4158 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3342 6.3342 7.3766 7.3766 8.7606 8.7606 9.5479 9.5479 9.8585 9.8585 10.1778 10.1778 10.1982 10.1982 10.2554 10.2554 10.2696 10.2696 10.9867 10.9867 11.3588 11.3588 11.6341 11.6341 11.6550 11.6550 11.8250 11.8250 12.4986 12.4986 14.4640 14.4640 15.3127 15.3133 k = 0.5000-0.2673 0.4234 ( 2236 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3360 6.3360 7.3795 7.3795 8.7562 8.7562 9.5481 9.5481 9.8588 9.8588 10.1776 10.1776 10.1986 10.1986 10.2566 10.2566 10.2687 10.2687 10.9849 10.9849 11.3339 11.3339 11.6290 11.6290 11.6632 11.6632 11.8247 11.8247 12.5179 12.5179 14.4714 14.4714 15.3114 15.3118 k = 0.5000-0.2566 0.4309 ( 2236 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9828 -14.9828 -14.9661 -14.9661 6.3389 6.3389 7.3843 7.3843 8.7491 8.7491 9.5487 9.5487 9.8593 9.8593 10.1773 10.1773 10.1991 10.1991 10.2587 10.2587 10.2673 10.2673 10.9815 10.9815 11.2976 11.2976 11.6169 11.6169 11.6765 11.6765 11.8243 11.8243 12.5493 12.5493 14.4834 14.4834 15.3081 15.3084 k = 0.5000-0.2459 0.4385 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9827 -14.9827 -14.9661 -14.9661 6.3430 6.3430 7.3910 7.3910 8.7391 8.7391 9.5494 9.5494 9.8599 9.8599 10.1767 10.1767 10.1995 10.1995 10.2617 10.2617 10.2658 10.2658 10.9767 10.9767 11.2536 11.2536 11.5993 11.5993 11.6910 11.6910 11.8239 11.8239 12.5917 12.5917 14.4997 14.4997 15.3022 15.3027 k = 0.5000-0.2352 0.4460 ( 2236 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9827 -14.9827 -14.9663 -14.9663 6.3481 6.3481 7.3996 7.3996 8.7263 8.7263 9.5504 9.5504 9.8608 9.8608 10.1757 10.1757 10.1995 10.1995 10.2641 10.2641 10.2656 10.2656 10.9706 10.9706 11.2049 11.2049 11.5771 11.5771 11.7048 11.7048 11.8234 11.8234 12.6436 12.6436 14.5198 14.5198 15.2937 15.2937 k = 0.5000-0.2245 0.4536 ( 2236 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9825 -14.9825 -14.9664 -14.9664 6.3543 6.3543 7.4101 7.4101 8.7109 8.7109 9.5515 9.5515 9.8619 9.8619 10.1738 10.1738 10.1991 10.1991 10.2635 10.2635 10.2700 10.2700 10.9632 10.9632 11.1534 11.1534 11.5509 11.5509 11.7169 11.7169 11.8230 11.8230 12.7038 12.7038 14.5431 14.5431 15.2828 15.2829 k = 0.5000-0.2138 0.4612 ( 2236 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9824 -14.9824 -14.9665 -14.9665 6.3614 6.3614 7.4224 7.4224 8.6929 8.6929 9.5529 9.5529 9.8634 9.8634 10.1704 10.1704 10.1984 10.1984 10.2636 10.2636 10.2753 10.2753 10.9544 10.9544 11.1007 11.1007 11.5215 11.5215 11.7273 11.7273 11.8227 11.8227 12.7707 12.7707 14.5690 14.5690 15.2696 15.2696 k = 0.5000-0.2031 0.4687 ( 2242 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9823 -14.9823 -14.9667 -14.9667 6.3694 6.3694 7.4366 7.4366 8.6724 8.6724 9.5544 9.5544 9.8651 9.8651 10.1651 10.1651 10.1977 10.1977 10.2650 10.2650 10.2813 10.2813 10.9441 10.9441 11.0481 11.0481 11.4896 11.4896 11.7361 11.7361 11.8225 11.8225 12.8433 12.8433 14.5970 14.5970 15.2541 15.2541 k = 0.5000-0.1925 0.4763 ( 2238 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9821 -14.9821 -14.9669 -14.9669 6.3782 6.3782 7.4527 7.4527 8.6496 8.6496 9.5560 9.5560 9.8673 9.8673 10.1574 10.1574 10.1971 10.1971 10.2676 10.2676 10.2880 10.2880 10.9318 10.9318 10.9968 10.9968 11.4560 11.4560 11.7434 11.7434 11.8223 11.8223 12.9205 12.9205 14.6264 14.6264 15.2362 15.2362 k = 0.5000-0.1818 0.4838 ( 2240 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9820 -14.9820 -14.9671 -14.9671 6.3877 6.3877 7.4705 7.4705 8.6244 8.6244 9.5578 9.5578 9.8700 9.8700 10.1474 10.1474 10.1965 10.1965 10.2712 10.2712 10.2952 10.2952 10.9143 10.9143 10.9507 10.9507 11.4213 11.4213 11.7495 11.7495 11.8222 11.8222 13.0013 13.0013 14.6567 14.6567 15.2160 15.2160 k = 0.5000-0.1711 0.4914 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9818 -14.9818 -14.9673 -14.9673 6.3979 6.3979 7.4900 7.4900 8.5973 8.5973 9.5597 9.5597 9.8733 9.8733 10.1355 10.1355 10.1958 10.1958 10.2759 10.2759 10.3031 10.3031 10.8811 10.8811 10.9211 10.9211 11.3861 11.3861 11.7547 11.7547 11.8223 11.8223 13.0849 13.0849 14.6875 14.6875 15.1932 15.1932 k = 0.5000-0.1604 0.4990 ( 2236 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9816 -14.9816 -14.9675 -14.9675 6.4085 6.4085 7.5113 7.5113 8.5680 8.5680 9.5616 9.5616 9.8771 9.8771 10.1219 10.1219 10.1947 10.1947 10.2814 10.2814 10.3115 10.3115 10.8367 10.8367 10.9037 10.9037 11.3510 11.3510 11.7590 11.7590 11.8223 11.8223 13.1707 13.1707 14.7183 14.7183 15.1679 15.1679 k = 0.5000-0.1497 0.5065 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9813 -14.9813 -14.9678 -14.9678 6.4194 6.4194 7.5343 7.5343 8.5370 8.5370 9.5635 9.5635 9.8815 9.8815 10.1070 10.1070 10.1929 10.1929 10.2875 10.2875 10.3204 10.3204 10.7917 10.7917 10.8885 10.8885 11.3167 11.3167 11.7627 11.7627 11.8224 11.8224 13.2582 13.2582 14.7486 14.7486 15.1400 15.1400 k = 0.5000-0.1390 0.5141 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9811 -14.9811 -14.9680 -14.9680 6.4305 6.4305 7.5589 7.5589 8.5043 8.5043 9.5655 9.5655 9.8866 9.8866 10.0912 10.0912 10.1903 10.1903 10.2943 10.2943 10.3298 10.3298 10.7486 10.7486 10.8736 10.8736 11.2835 11.2835 11.7658 11.7658 11.8226 11.8226 13.3468 13.3468 14.7782 14.7782 15.1094 15.1094 k = 0.5000-0.1283 0.5217 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9809 -14.9809 -14.9683 -14.9683 6.4416 6.4416 7.5851 7.5851 8.4701 8.4701 9.5675 9.5675 9.8922 9.8922 10.0748 10.0748 10.1864 10.1864 10.3015 10.3015 10.3395 10.3395 10.7079 10.7079 10.8585 10.8585 11.2518 11.2518 11.7685 11.7685 11.8227 11.8227 13.4360 13.4360 14.8067 14.8067 15.0760 15.0760 k = 0.5000-0.1176 0.5292 ( 2228 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9806 -14.9806 -14.9685 -14.9685 6.4527 6.4527 7.6128 7.6128 8.4345 8.4345 9.5695 9.5695 9.8985 9.8985 10.0582 10.0582 10.1813 10.1813 10.3092 10.3092 10.3494 10.3494 10.6701 10.6701 10.8433 10.8433 11.2220 11.2220 11.7708 11.7708 11.8229 11.8229 13.5255 13.5255 14.8340 14.8340 15.0397 15.0397 k = 0.5000-0.1069 0.5368 ( 2228 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9804 -14.9804 -14.9688 -14.9688 6.4635 6.4635 7.6420 7.6420 8.3977 8.3977 9.5713 9.5713 9.9054 9.9054 10.0419 10.0419 10.1747 10.1747 10.3171 10.3171 10.3596 10.3596 10.6353 10.6353 10.8281 10.8281 11.1943 11.1943 11.7728 11.7728 11.8231 11.8231 13.6149 13.6149 14.8598 14.8598 15.0005 15.0005 k = 0.5000-0.0962 0.5443 ( 2238 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9802 -14.9802 -14.9691 -14.9691 6.4738 6.4738 7.6726 7.6726 8.3599 8.3599 9.5731 9.5731 9.9126 9.9126 10.0261 10.0261 10.1664 10.1664 10.3253 10.3253 10.3697 10.3697 10.6037 10.6037 10.8130 10.8130 11.1688 11.1688 11.7744 11.7744 11.8232 11.8232 13.7038 13.7038 14.8838 14.8838 14.9583 14.9583 k = 0.5000-0.0855 0.5519 ( 2226 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9799 -14.9799 -14.9693 -14.9693 6.4837 6.4837 7.7046 7.7046 8.3212 8.3212 9.5748 9.5748 9.9202 9.9202 10.0119 10.0119 10.1567 10.1567 10.3338 10.3338 10.3797 10.3797 10.5755 10.5755 10.7983 10.7983 11.1459 11.1459 11.7759 11.7759 11.8235 11.8235 13.7920 13.7920 14.9047 14.9047 14.9143 14.9143 k = 0.5000-0.0748 0.5595 ( 2218 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9797 -14.9797 -14.9695 -14.9695 6.4927 6.4927 7.7378 7.7378 8.2819 8.2819 9.5763 9.5763 9.9272 9.9272 10.0001 10.0001 10.1454 10.1454 10.3424 10.3424 10.3893 10.3893 10.5507 10.5507 10.7842 10.7842 11.1255 11.1255 11.7772 11.7772 11.8237 11.8237 13.8791 13.8791 14.8642 14.8642 14.9265 14.9265 k = 0.5000-0.0642 0.5670 ( 2222 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9795 -14.9795 -14.9698 -14.9698 6.5009 6.5009 7.7721 7.7721 8.2420 8.2420 9.5777 9.5777 9.9324 9.9324 9.9920 9.9920 10.1328 10.1328 10.3510 10.3510 10.3980 10.3980 10.5291 10.5291 10.7707 10.7707 11.1077 11.1077 11.7782 11.7782 11.8238 11.8238 13.9649 13.9649 14.8127 14.8127 14.9443 14.9443 k = 0.5000-0.0535 0.5746 ( 2226 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9793 -14.9793 -14.9700 -14.9700 6.5081 6.5081 7.8076 7.8076 8.2017 8.2017 9.5788 9.5788 9.9343 9.9343 9.9897 9.9897 10.1189 10.1189 10.3597 10.3597 10.4054 10.4054 10.5109 10.5109 10.7585 10.7585 11.0926 11.0926 11.7791 11.7791 11.8240 11.8240 14.0490 14.0490 14.7579 14.7579 14.9597 14.9597 k = 0.5000-0.0428 0.5821 ( 2226 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9791 -14.9791 -14.9702 -14.9702 6.5142 6.5142 7.8440 7.8440 8.1612 8.1612 9.5798 9.5798 9.9324 9.9324 9.9939 9.9939 10.1042 10.1042 10.3685 10.3685 10.4108 10.4108 10.4962 10.4962 10.7478 10.7478 11.0803 11.0803 11.7797 11.7797 11.8241 11.8241 14.1313 14.1313 14.7000 14.7000 14.9726 14.9726 k = 0.5000-0.0321 0.5897 ( 2226 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9790 -14.9790 -14.9703 -14.9703 6.5190 6.5190 7.8813 7.8813 8.1207 8.1207 9.5806 9.5806 9.9287 9.9287 10.0028 10.0028 10.0889 10.0889 10.3771 10.3771 10.4135 10.4135 10.4854 10.4854 10.7388 10.7388 11.0707 11.0707 11.7803 11.7803 11.8242 11.8242 14.2115 14.2115 14.6390 14.6390 14.9828 14.9828 k = 0.5000-0.0214 0.5973 ( 2230 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9705 -14.9705 6.5225 6.5225 7.9192 7.9192 8.0805 8.0805 9.5811 9.5811 9.9250 9.9250 10.0144 10.0144 10.0733 10.0733 10.3856 10.3856 10.4129 10.4129 10.4784 10.4784 10.7321 10.7321 11.0638 11.0638 11.7806 11.7806 11.8242 11.8242 14.2894 14.2894 14.5748 14.5748 14.9902 14.9902 k = 0.5000-0.0107 0.6048 ( 2238 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9705 -14.9705 6.5246 6.5246 7.9571 7.9571 8.0412 8.0412 9.5814 9.5814 9.9224 9.9224 10.0278 10.0278 10.0578 10.0578 10.3936 10.3936 10.4092 10.4092 10.4748 10.4748 10.7279 10.7279 11.0597 11.0597 11.7808 11.7808 11.8242 11.8242 14.3648 14.3648 14.5077 14.5077 14.9947 14.9947 k = 0.5000 0.0000 0.6124 ( 2244 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9706 -14.9706 6.5253 6.5253 7.9854 7.9854 8.0124 8.0124 9.5816 9.5816 9.9215 9.9215 10.0410 10.0410 10.0438 10.0438 10.3986 10.3986 10.4054 10.4054 10.4737 10.4737 10.7264 10.7264 11.0583 11.0583 11.7809 11.7809 11.8242 11.8242 14.4365 14.4365 14.4387 14.4387 14.9961 14.9961 k = 0.5000 0.0000 0.6124 ( 2244 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9706 -14.9706 6.5253 6.5253 7.9854 7.9854 8.0124 8.0124 9.5816 9.5816 9.9215 9.9215 10.0410 10.0410 10.0438 10.0438 10.3986 10.3986 10.4054 10.4054 10.4737 10.4737 10.7264 10.7264 11.0583 11.0583 11.7809 11.7809 11.8242 11.8242 14.4365 14.4365 14.4387 14.4387 14.9961 14.9961 k = 0.4934 0.0114 0.6124 ( 2237 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9705 -14.9705 6.5242 6.5242 7.9682 7.9682 8.0298 8.0298 9.5818 9.5818 9.9194 9.9194 10.0318 10.0318 10.0548 10.0548 10.3950 10.3950 10.4091 10.4091 10.4748 10.4748 10.7269 10.7269 11.0581 11.0581 11.7820 11.7820 11.8256 11.8256 14.3854 14.3854 14.4880 14.4880 14.9972 14.9972 k = 0.4868 0.0228 0.6124 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9705 -14.9705 6.5211 6.5211 7.9436 7.9436 8.0547 8.0547 9.5826 9.5826 9.9140 9.9140 10.0215 10.0215 10.0696 10.0696 10.3888 10.3888 10.4151 10.4151 10.4783 10.4783 10.7282 10.7282 11.0572 11.0572 11.7854 11.7854 11.8301 11.8301 14.3301 14.3301 14.5373 14.5373 15.0006 15.0006 k = 0.4803 0.0342 0.6124 ( 2228 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9704 -14.9704 6.5164 6.5164 7.9195 7.9195 8.0789 8.0789 9.5837 9.5837 9.9060 9.9060 10.0114 10.0114 10.0862 10.0862 10.3823 10.3823 10.4204 10.4204 10.4848 10.4848 10.7301 10.7301 11.0550 11.0550 11.7899 11.7899 11.8390 11.8390 14.2719 14.2719 14.5857 14.5857 15.0065 15.0065 k = 0.4737 0.0456 0.6124 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9790 -14.9790 -14.9702 -14.9702 6.5104 6.5104 7.8966 7.8966 8.1013 8.1013 9.5851 9.5851 9.8964 9.8964 10.0014 10.0014 10.1040 10.1040 10.3760 10.3760 10.4243 10.4243 10.4945 10.4945 10.7325 10.7325 11.0513 11.0513 11.7943 11.7943 11.8541 11.8541 14.2110 14.2110 14.6329 14.6329 15.0151 15.0151 k = 0.4671 0.0570 0.6124 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9791 -14.9791 -14.9701 -14.9701 6.5036 6.5036 7.8751 7.8751 8.1217 8.1217 9.5867 9.5867 9.8858 9.8858 9.9918 9.9918 10.1224 10.1224 10.3702 10.3702 10.4265 10.4265 10.5073 10.5073 10.7353 10.7353 11.0456 11.0456 11.7977 11.7977 11.8764 11.8764 14.1477 14.1477 14.6790 14.6790 15.0265 15.0265 k = 0.4605 0.0684 0.6124 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9792 -14.9792 -14.9699 -14.9699 6.4963 6.4963 7.8551 7.8551 8.1400 8.1400 9.5883 9.5883 9.8748 9.8748 9.9824 9.9824 10.1409 10.1409 10.3650 10.3650 10.4274 10.4274 10.5225 10.5225 10.7382 10.7382 11.0380 11.0380 11.8000 11.8000 11.9060 11.9060 14.0822 14.0822 14.7237 14.7237 15.0406 15.0406 k = 0.4539 0.0798 0.6124 ( 2225 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9793 -14.9793 -14.9697 -14.9697 6.4886 6.4886 7.8365 7.8365 8.1561 8.1561 9.5900 9.5900 9.8637 9.8637 9.9733 9.9733 10.1593 10.1593 10.3606 10.3606 10.4275 10.4275 10.5393 10.5393 10.7411 10.7411 11.0282 11.0282 11.8017 11.8017 11.9424 11.9424 14.0148 14.0148 14.7670 14.7670 15.0573 15.0573 k = 0.4474 0.0912 0.6124 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9795 -14.9795 -14.9695 -14.9695 6.4809 6.4809 7.8194 7.8194 8.1702 8.1702 9.5917 9.5917 9.8529 9.8529 9.9647 9.9647 10.1771 10.1771 10.3570 10.3570 10.4272 10.4272 10.5570 10.5570 10.7440 10.7440 11.0165 11.0165 11.8029 11.8029 11.9848 11.9848 13.9459 13.9459 14.8087 14.8087 15.0765 15.0765 k = 0.4408 0.1026 0.6124 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9796 -14.9796 -14.9693 -14.9693 6.4733 6.4733 7.8038 7.8038 8.1822 8.1822 9.5933 9.5933 9.8426 9.8426 9.9565 9.9565 10.1939 10.1939 10.3543 10.3543 10.4268 10.4268 10.5752 10.5752 10.7469 10.7469 11.0031 11.0031 11.8037 11.8037 12.0325 12.0325 13.8759 13.8759 14.8486 14.8486 15.0979 15.0979 k = 0.4342 0.1140 0.6124 ( 2235 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9797 -14.9797 -14.9691 -14.9691 6.4660 6.4660 7.7897 7.7897 8.1925 8.1925 9.5948 9.5948 9.8328 9.8328 9.9488 9.9488 10.2094 10.2094 10.3526 10.3526 10.4265 10.4265 10.5934 10.5934 10.7495 10.7495 10.9881 10.9881 11.8044 11.8044 12.0845 12.0845 13.8053 13.8053 14.8865 14.8865 15.1212 15.1212 k = 0.4276 0.1253 0.6124 ( 2235 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9799 -14.9799 -14.9689 -14.9689 6.4591 6.4591 7.7770 7.7770 8.2010 8.2010 9.5961 9.5961 9.8239 9.8239 9.9418 9.9418 10.2232 10.2232 10.3519 10.3519 10.4264 10.4264 10.6116 10.6116 10.7519 10.7519 10.9720 10.9720 11.8049 11.8049 12.1401 12.1401 13.7348 13.7348 14.9222 14.9222 15.1462 15.1462 k = 0.4211 0.1367 0.6124 ( 2235 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9800 -14.9800 -14.9688 -14.9688 6.4527 6.4527 7.7659 7.7659 8.2081 8.2081 9.5973 9.5973 9.8159 9.8159 9.9354 9.9354 10.2350 10.2350 10.3523 10.3523 10.4267 10.4267 10.6295 10.6295 10.7541 10.7541 10.9550 10.9550 11.8053 11.8053 12.1978 12.1978 13.6651 13.6651 14.9554 14.9554 15.1722 15.1722 k = 0.4145 0.1481 0.6124 ( 2235 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9801 -14.9801 -14.9686 -14.9686 6.4470 6.4470 7.7562 7.7562 8.2138 8.2138 9.5984 9.5984 9.8088 9.8088 9.9298 9.9298 10.2447 10.2447 10.3535 10.3535 10.4274 10.4274 10.6470 10.6470 10.7559 10.7559 10.9376 10.9376 11.8057 11.8057 12.2563 12.2563 13.5972 13.5972 14.9858 14.9858 15.1987 15.1987 k = 0.4079 0.1595 0.6124 ( 2238 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9802 -14.9802 -14.9685 -14.9685 6.4421 6.4421 7.7481 7.7481 8.2184 8.2184 9.5993 9.5993 9.8027 9.8027 9.9249 9.9249 10.2523 10.2523 10.3553 10.3553 10.4286 10.4286 10.6638 10.6638 10.7573 10.7573 10.9203 10.9203 11.8059 11.8059 12.3137 12.3137 13.5326 13.5326 15.0129 15.0129 15.2248 15.2248 k = 0.4013 0.1709 0.6124 ( 2238 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9802 -14.9802 -14.9684 -14.9684 6.4379 6.4379 7.7414 7.7414 8.2219 8.2219 9.6000 9.6000 9.7977 9.7977 9.9208 9.9208 10.2579 10.2579 10.3573 10.3573 10.4301 10.4301 10.6797 10.6797 10.7584 10.7584 10.9036 10.9036 11.8061 11.8061 12.3678 12.3678 13.4730 13.4730 15.0363 15.0363 15.2495 15.2495 k = 0.3947 0.1823 0.6124 ( 2241 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9803 -14.9803 -14.9683 -14.9683 6.4346 6.4346 7.7362 7.7362 8.2246 8.2246 9.6006 9.6006 9.7938 9.7938 9.9177 9.9177 10.2618 10.2618 10.3591 10.3591 10.4316 10.4316 10.6941 10.6941 10.7589 10.7589 10.8884 10.8884 11.8063 11.8063 12.4159 12.4159 13.4212 13.4212 15.0554 15.0554 15.2715 15.2715 k = 0.3882 0.1937 0.6124 ( 2241 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9803 -14.9803 -14.9682 -14.9682 6.4323 6.4323 7.7325 7.7325 8.2263 8.2263 9.6010 9.6010 9.7910 9.7910 9.9154 9.9154 10.2644 10.2644 10.3606 10.3606 10.4330 10.4330 10.7063 10.7063 10.7590 10.7590 10.8759 10.8759 11.8063 11.8063 12.4543 12.4543 13.3802 13.3802 15.0696 15.0696 15.2891 15.2891 k = 0.3816 0.2051 0.6124 ( 2237 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4308 6.4308 7.7303 7.7303 8.2274 8.2274 9.6012 9.6012 9.7893 9.7893 9.9140 9.9140 10.2659 10.2659 10.3615 10.3615 10.4340 10.4340 10.7149 10.7149 10.7587 10.7587 10.8674 10.8674 11.8064 11.8064 12.4795 12.4795 13.3536 13.3536 15.0784 15.0784 15.3006 15.3006 k = 0.3750 0.2165 0.6124 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4304 6.4304 7.7295 7.7295 8.2277 8.2277 9.6013 9.6013 9.7887 9.7887 9.9135 9.9135 10.2663 10.2663 10.3618 10.3618 10.4343 10.4343 10.7180 10.7180 10.7585 10.7585 10.8644 10.8644 11.8064 11.8064 12.4882 12.4882 13.3443 13.3443 15.0814 15.0814 15.3045 15.3046 k = 0.3750 0.2165 0.6124 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4304 6.4304 7.7295 7.7295 8.2277 8.2277 9.6013 9.6013 9.7887 9.7887 9.9135 9.9135 10.2663 10.2663 10.3618 10.3618 10.4343 10.4343 10.7180 10.7180 10.7585 10.7585 10.8644 10.8644 11.8064 11.8064 12.4882 12.4882 13.3443 13.3443 15.0814 15.0814 15.3045 15.3045 k = 0.3683 0.2126 0.6014 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9802 -14.9802 -14.9682 -14.9682 6.4225 6.4225 7.7687 7.7687 8.1834 8.1834 9.6069 9.6069 9.7538 9.7538 9.9170 9.9170 10.2714 10.2714 10.3662 10.3662 10.4463 10.4463 10.6906 10.6906 10.7355 10.7355 10.8598 10.8598 11.8055 11.8055 12.5352 12.5352 13.4044 13.4044 15.0537 15.0537 15.3894 15.3894 k = 0.3616 0.2088 0.5905 ( 2241 PWs) bands (ev): -36.4156 -36.4156 -15.4734 -15.4734 -14.9801 -14.9801 -14.9682 -14.9682 6.4097 6.4097 7.8100 7.8100 8.1422 8.1422 9.6125 9.6125 9.7179 9.7179 9.9220 9.9220 10.2752 10.2752 10.3706 10.3706 10.4578 10.4578 10.6638 10.6638 10.7128 10.7128 10.8607 10.8607 11.8045 11.8045 12.5817 12.5817 13.4668 13.4668 15.0244 15.0244 15.4444 15.4444 k = 0.3549 0.2049 0.5796 ( 2235 PWs) bands (ev): -36.4156 -36.4156 -15.4733 -15.4733 -14.9799 -14.9799 -14.9681 -14.9681 6.3912 6.3912 7.8534 7.8534 8.1051 8.1051 9.6180 9.6180 9.6818 9.6818 9.9280 9.9280 10.2777 10.2777 10.3753 10.3753 10.4684 10.4684 10.6380 10.6380 10.6908 10.6908 10.8662 10.8662 11.8033 11.8033 12.6280 12.6280 13.5318 13.5318 14.9933 14.9933 15.4647 15.4647 k = 0.3482 0.2010 0.5686 ( 2231 PWs) bands (ev): -36.4156 -36.4156 -15.4731 -15.4731 -14.9798 -14.9798 -14.9679 -14.9679 6.3663 6.3663 7.8988 7.8988 8.0732 8.0732 9.6228 9.6228 9.6464 9.6464 9.9348 9.9348 10.2789 10.2789 10.3806 10.3806 10.4773 10.4773 10.6131 10.6131 10.6702 10.6702 10.8755 10.8755 11.8020 11.8020 12.6740 12.6740 13.5995 13.5995 14.9606 14.9606 15.4864 15.4864 k = 0.3415 0.1972 0.5577 ( 2231 PWs) bands (ev): -36.4157 -36.4157 -15.4730 -15.4730 -14.9796 -14.9796 -14.9678 -14.9678 6.3346 6.3346 7.9462 7.9462 8.0471 8.0471 9.6076 9.6076 9.6309 9.6309 9.9423 9.9423 10.2792 10.2792 10.3864 10.3864 10.4832 10.4832 10.5891 10.5891 10.6524 10.6524 10.8878 10.8878 11.8005 11.8005 12.7198 12.7198 13.6702 13.6702 14.9260 14.9260 15.5096 15.5096 k = 0.3348 0.1933 0.5468 ( 2231 PWs) bands (ev): -36.4157 -36.4157 -15.4729 -15.4729 -14.9795 -14.9795 -14.9676 -14.9676 6.2959 6.2959 7.9954 7.9954 8.0277 8.0277 9.5729 9.5729 9.6353 9.6353 9.9504 9.9504 10.2790 10.2790 10.3919 10.3919 10.4851 10.4851 10.5659 10.5659 10.6394 10.6394 10.9023 10.9023 11.7988 11.7988 12.7654 12.7654 13.7441 13.7441 14.8898 14.8898 15.5272 15.5272 k = 0.3281 0.1894 0.5358 ( 2231 PWs) bands (ev): -36.4157 -36.4157 -15.4727 -15.4727 -14.9794 -14.9794 -14.9674 -14.9674 6.2501 6.2501 8.0137 8.0137 8.0481 8.0481 9.5381 9.5381 9.6401 9.6401 9.9592 9.9592 10.2785 10.2785 10.3964 10.3964 10.4828 10.4828 10.5427 10.5427 10.6329 10.6329 10.9185 10.9185 11.7970 11.7970 12.8108 12.8108 13.8214 13.8214 14.8517 14.8517 15.5079 15.5079 k = 0.3214 0.1856 0.5249 ( 2233 PWs) bands (ev): -36.4158 -36.4158 -15.4725 -15.4725 -14.9793 -14.9793 -14.9671 -14.9671 6.1974 6.1974 8.0079 8.0079 8.1014 8.1014 9.5039 9.5039 9.6446 9.6446 9.9685 9.9685 10.2782 10.2782 10.3978 10.3978 10.4782 10.4782 10.5192 10.5192 10.6333 10.6333 10.9358 10.9358 11.7949 11.7949 12.8561 12.8561 13.9023 13.9023 14.8120 14.8120 15.4798 15.4799 k = 0.3147 0.1817 0.5140 ( 2235 PWs) bands (ev): -36.4158 -36.4158 -15.4724 -15.4724 -14.9791 -14.9791 -14.9668 -14.9668 6.1382 6.1382 8.0084 8.0084 8.1569 8.1569 9.4705 9.4705 9.6487 9.6487 9.9784 9.9784 10.2780 10.2780 10.3941 10.3941 10.4736 10.4736 10.4969 10.4969 10.6390 10.6390 10.9540 10.9540 11.7927 11.7927 12.9012 12.9012 13.9867 13.9867 14.7705 14.7705 15.4505 15.4505 k = 0.3080 0.1778 0.5030 ( 2233 PWs) bands (ev): -36.4158 -36.4158 -15.4722 -15.4722 -14.9790 -14.9790 -14.9665 -14.9665 6.0731 6.0731 8.0153 8.0153 8.2144 8.2144 9.4381 9.4381 9.6524 9.6524 9.9889 9.9889 10.2779 10.2779 10.3846 10.3846 10.4619 10.4619 10.4854 10.4854 10.6482 10.6482 10.9727 10.9727 11.7903 11.7903 12.9463 12.9463 14.0750 14.0750 14.7273 14.7273 15.4204 15.4204 k = 0.3013 0.1740 0.4921 ( 2241 PWs) bands (ev): -36.4159 -36.4159 -15.4720 -15.4720 -14.9788 -14.9788 -14.9662 -14.9662 6.0027 6.0027 8.0279 8.0279 8.2739 8.2739 9.4065 9.4065 9.6554 9.6554 9.9997 9.9997 10.2772 10.2772 10.3707 10.3707 10.4399 10.4399 10.4887 10.4887 10.6595 10.6595 10.9917 10.9917 11.7875 11.7875 12.9915 12.9915 14.1671 14.1671 14.6824 14.6824 15.3900 15.3900 k = 0.2946 0.1701 0.4811 ( 2243 PWs) bands (ev): -36.4159 -36.4159 -15.4717 -15.4717 -14.9787 -14.9787 -14.9659 -14.9659 5.9278 5.9278 8.0457 8.0457 8.3352 8.3352 9.3761 9.3761 9.6578 9.6578 10.0112 10.0112 10.2751 10.2751 10.3545 10.3545 10.4174 10.4174 10.4968 10.4968 10.6721 10.6721 11.0109 11.0109 11.7848 11.7848 13.0368 13.0368 14.2630 14.2630 14.6359 14.6359 15.3594 15.3594 k = 0.2879 0.1662 0.4702 ( 2243 PWs) bands (ev): -36.4160 -36.4160 -15.4715 -15.4715 -14.9785 -14.9785 -14.9655 -14.9655 5.8490 5.8490 8.0682 8.0682 8.3984 8.3984 9.3469 9.3469 9.6595 9.6595 10.0229 10.0229 10.2698 10.2698 10.3376 10.3376 10.3978 10.3978 10.5072 10.5072 10.6853 10.6853 11.0303 11.0303 11.7818 11.7818 13.0822 13.0822 14.3629 14.3629 14.5877 14.5877 15.3286 15.3287 k = 0.2812 0.1624 0.4593 ( 2243 PWs) bands (ev): -36.4160 -36.4160 -15.4712 -15.4712 -14.9782 -14.9782 -14.9651 -14.9651 5.7670 5.7670 8.0948 8.0948 8.4633 8.4633 9.3189 9.3189 9.6604 9.6604 10.0349 10.0349 10.2601 10.2601 10.3196 10.3196 10.3844 10.3844 10.5188 10.5188 10.6987 10.6987 11.0496 11.0496 11.7787 11.7787 13.1276 13.1276 14.4664 14.4664 14.5380 14.5380 15.2980 15.2980 k = 0.2746 0.1585 0.4483 ( 2247 PWs) bands (ev): -36.4161 -36.4161 -15.4709 -15.4709 -14.9780 -14.9780 -14.9647 -14.9647 5.6825 5.6825 8.1249 8.1249 8.5298 8.5298 9.2921 9.2921 9.6605 9.6605 10.0469 10.0469 10.2457 10.2457 10.2997 10.2997 10.3790 10.3790 10.5313 10.5313 10.7122 10.7122 11.0690 11.0690 11.7754 11.7754 13.1733 13.1733 14.4862 14.4862 14.5743 14.5743 15.2676 15.2676 k = 0.2679 0.1546 0.4374 ( 2243 PWs) bands (ev): -36.4161 -36.4161 -15.4706 -15.4706 -14.9776 -14.9776 -14.9643 -14.9643 5.5961 5.5961 8.1580 8.1580 8.5979 8.5979 9.2666 9.2666 9.6597 9.6597 10.0585 10.0585 10.2281 10.2281 10.2783 10.2783 10.3810 10.3810 10.5443 10.5443 10.7255 10.7255 11.0884 11.0884 11.7720 11.7720 13.2191 13.2191 14.4335 14.4335 14.6852 14.6853 15.2376 15.2376 k = 0.2612 0.1508 0.4265 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4702 -15.4702 -14.9773 -14.9773 -14.9639 -14.9639 5.5083 5.5083 8.1936 8.1936 8.6674 8.6674 9.2424 9.2424 9.6580 9.6580 10.0690 10.0690 10.2088 10.2088 10.2568 10.2568 10.3882 10.3882 10.5577 10.5577 10.7385 10.7385 11.1080 11.1080 11.7686 11.7686 13.2653 13.2653 14.3792 14.3792 14.7997 14.7997 15.2084 15.2084 k = 0.2545 0.1469 0.4155 ( 2239 PWs) bands (ev): -36.4163 -36.4163 -15.4699 -15.4699 -14.9769 -14.9769 -14.9634 -14.9634 5.4196 5.4196 8.2312 8.2312 8.7381 8.7381 9.2197 9.2197 9.6553 9.6553 10.0774 10.0774 10.1886 10.1886 10.2372 10.2372 10.3989 10.3989 10.5715 10.5715 10.7510 10.7510 11.1278 11.1278 11.7650 11.7650 13.3116 13.3116 14.3234 14.3234 14.9167 14.9167 15.1805 15.1805 k = 0.2478 0.1430 0.4046 ( 2217 PWs) bands (ev): -36.4163 -36.4163 -15.4694 -15.4694 -14.9764 -14.9764 -14.9629 -14.9629 5.3303 5.3303 8.2704 8.2704 8.8098 8.8098 9.1985 9.1985 9.6518 9.6518 10.0821 10.0821 10.1681 10.1681 10.2223 10.2223 10.4122 10.4122 10.5856 10.5856 10.7630 10.7630 11.1481 11.1481 11.7615 11.7615 13.3583 13.3583 14.2665 14.2665 15.0328 15.0328 15.1576 15.1576 k = 0.2411 0.1392 0.3937 ( 2217 PWs) bands (ev): -36.4164 -36.4164 -15.4690 -15.4690 -14.9760 -14.9760 -14.9625 -14.9625 5.2410 5.2410 8.3109 8.3109 8.8821 8.8821 9.1787 9.1787 9.6472 9.6472 10.0810 10.0810 10.1470 10.1470 10.2146 10.2146 10.4275 10.4275 10.5998 10.5998 10.7744 10.7744 11.1688 11.1688 11.7579 11.7579 13.4052 13.4052 14.2082 14.2082 15.0999 15.0999 15.1874 15.1874 k = 0.2344 0.1353 0.3827 ( 2217 PWs) bands (ev): -36.4165 -36.4165 -15.4686 -15.4686 -14.9755 -14.9755 -14.9621 -14.9621 5.1518 5.1518 8.3522 8.3522 8.9544 8.9544 9.1606 9.1606 9.6417 9.6417 10.0737 10.0737 10.1252 10.1252 10.2153 10.2153 10.4443 10.4443 10.6143 10.6143 10.7852 10.7852 11.1901 11.1901 11.7543 11.7543 13.4525 13.4525 14.1487 14.1487 15.0845 15.0845 15.3035 15.3035 k = 0.2277 0.1315 0.3718 ( 2225 PWs) bands (ev): -36.4165 -36.4165 -15.4682 -15.4682 -14.9750 -14.9750 -14.9617 -14.9617 5.0631 5.0631 8.3941 8.3941 9.0256 9.0256 9.1451 9.1451 9.6352 9.6352 10.0619 10.0619 10.1032 10.1032 10.2232 10.2232 10.4621 10.4621 10.6289 10.6289 10.7952 10.7952 11.2122 11.2122 11.7508 11.7508 13.5000 13.5000 14.0881 14.0881 15.0600 15.0600 15.4319 15.4319 k = 0.2210 0.1276 0.3609 ( 2225 PWs) bands (ev): -36.4166 -36.4166 -15.4678 -15.4678 -14.9745 -14.9745 -14.9613 -14.9613 4.9753 4.9753 8.4363 8.4363 9.0886 9.0886 9.1385 9.1385 9.6278 9.6278 10.0473 10.0473 10.0820 10.0820 10.2360 10.2360 10.4807 10.4807 10.6437 10.6437 10.8047 10.8047 11.2354 11.2354 11.7474 11.7474 13.5480 13.5480 14.0266 14.0266 15.0351 15.0351 15.5640 15.5640 k = 0.2143 0.1237 0.3499 ( 2217 PWs) bands (ev): -36.4167 -36.4167 -15.4673 -15.4673 -14.9738 -14.9738 -14.9609 -14.9609 4.8884 4.8884 8.4786 8.4786 9.1031 9.1031 9.1804 9.1804 9.6196 9.6196 10.0307 10.0307 10.0636 10.0636 10.2521 10.2521 10.4999 10.4999 10.6587 10.6587 10.8134 10.8134 11.2598 11.2598 11.7443 11.7443 13.5964 13.5964 13.9641 13.9641 15.0107 15.0107 15.6980 15.6980 k = 0.2076 0.1199 0.3390 ( 2221 PWs) bands (ev): -36.4168 -36.4168 -15.4669 -15.4669 -14.9732 -14.9732 -14.9605 -14.9605 4.8028 4.8028 8.5206 8.5206 9.0936 9.0936 9.2450 9.2450 9.6106 9.6106 10.0115 10.0115 10.0506 10.0506 10.2702 10.2702 10.5193 10.5193 10.6739 10.6739 10.8215 10.8215 11.2856 11.2856 11.7414 11.7414 13.6452 13.6452 13.9008 13.9008 14.9872 14.9872 15.8329 15.8329 k = 0.2009 0.1160 0.3281 ( 2219 PWs) bands (ev): -36.4169 -36.4169 -15.4664 -15.4664 -14.9726 -14.9726 -14.9601 -14.9601 4.7185 4.7185 8.5623 8.5623 9.0830 9.0830 9.3083 9.3083 9.6008 9.6008 9.9899 9.9899 10.0448 10.0448 10.2899 10.2899 10.5385 10.5385 10.6892 10.6892 10.8289 10.8289 11.3130 11.3130 11.7387 11.7387 13.6940 13.6940 13.8371 13.8371 14.9648 14.9648 15.9672 15.9672 k = 0.1942 0.1121 0.3171 ( 2219 PWs) bands (ev): -36.4169 -36.4169 -15.4659 -15.4659 -14.9719 -14.9719 -14.9598 -14.9598 4.6359 4.6359 8.6034 8.6034 9.0731 9.0731 9.3665 9.3665 9.5904 9.5904 9.9668 9.9668 10.0473 10.0473 10.3108 10.3108 10.5574 10.5574 10.7048 10.7048 10.8357 10.8357 11.3421 11.3421 11.7364 11.7364 13.7400 13.7400 13.7760 13.7760 14.9438 14.9438 16.0987 16.0987 k = 0.1875 0.1083 0.3062 ( 2215 PWs) bands (ev): -36.4170 -36.4170 -15.4654 -15.4654 -14.9711 -14.9711 -14.9594 -14.9594 4.5550 4.5550 8.6438 8.6438 9.0644 9.0644 9.4172 9.4172 9.5793 9.5793 9.9429 9.9429 10.0595 10.0595 10.3325 10.3325 10.5757 10.5757 10.7205 10.7205 10.8420 10.8420 11.3731 11.3731 11.7346 11.7346 13.7039 13.7039 13.7969 13.7969 14.9241 14.9241 16.2242 16.2242 k = 0.1808 0.1044 0.2953 ( 2223 PWs) bands (ev): -36.4171 -36.4171 -15.4649 -15.4649 -14.9704 -14.9704 -14.9591 -14.9591 4.4760 4.4760 8.6833 8.6833 9.0569 9.0569 9.4586 9.4586 9.5678 9.5678 9.9187 9.9187 10.0824 10.0824 10.3549 10.3549 10.5932 10.5932 10.7363 10.7363 10.8478 10.8478 11.4058 11.4058 11.7333 11.7333 13.6388 13.6388 13.8467 13.8467 14.9060 14.9060 16.3384 16.3384 k = 0.1741 0.1005 0.2843 ( 2219 PWs) bands (ev): -36.4172 -36.4172 -15.4644 -15.4644 -14.9696 -14.9696 -14.9587 -14.9587 4.3989 4.3989 8.7218 8.7218 9.0507 9.0507 9.4897 9.4897 9.5557 9.5557 9.8943 9.8943 10.1170 10.1170 10.3779 10.3779 10.6098 10.6098 10.7524 10.7524 10.8533 10.8533 11.4405 11.4405 11.7326 11.7326 13.5727 13.5727 13.8977 13.8977 14.8897 14.8897 16.4344 16.4344 k = 0.1674 0.0967 0.2734 ( 2219 PWs) bands (ev): -36.4173 -36.4173 -15.4639 -15.4639 -14.9689 -14.9689 -14.9584 -14.9584 4.3240 4.3240 8.7592 8.7592 9.0458 9.0458 9.5105 9.5105 9.5434 9.5434 9.8699 9.8699 10.1627 10.1627 10.4011 10.4011 10.6252 10.6252 10.7687 10.7687 10.8586 10.8586 11.4769 11.4769 11.7325 11.7325 13.5061 13.5061 13.9492 13.9492 14.8752 14.8752 16.5053 16.5053 k = 0.1607 0.0928 0.2624 ( 2235 PWs) bands (ev): -36.4174 -36.4174 -15.4634 -15.4634 -14.9681 -14.9681 -14.9581 -14.9581 4.2514 4.2514 8.7953 8.7953 9.0422 9.0422 9.5220 9.5220 9.5309 9.5309 9.8454 9.8454 10.2179 10.2179 10.4245 10.4245 10.6395 10.6395 10.7849 10.7849 10.8640 10.8640 11.5148 11.5148 11.7333 11.7333 13.4392 13.4392 14.0013 14.0013 14.8627 14.8627 16.5494 16.5494 k = 0.1540 0.0889 0.2515 ( 2235 PWs) bands (ev): -36.4175 -36.4175 -15.4629 -15.4629 -14.9673 -14.9673 -14.9578 -14.9578 4.1810 4.1810 8.8301 8.8301 9.0399 9.0399 9.5173 9.5173 9.5274 9.5274 9.8210 9.8210 10.2805 10.2805 10.4480 10.4480 10.6526 10.6526 10.8013 10.8013 10.8700 10.8700 11.5543 11.5543 11.7351 11.7351 13.3722 13.3722 14.0539 14.0539 14.8523 14.8523 16.5718 16.5718 k = 0.1473 0.0851 0.2406 ( 2235 PWs) bands (ev): -36.4176 -36.4176 -15.4624 -15.4624 -14.9665 -14.9665 -14.9575 -14.9575 4.1131 4.1131 8.8636 8.8636 9.0389 9.0389 9.5045 9.5045 9.5265 9.5265 9.7967 9.7967 10.3478 10.3478 10.4714 10.4714 10.6646 10.6646 10.8176 10.8176 10.8771 10.8771 11.5950 11.5950 11.7379 11.7379 13.3052 13.3052 14.1069 14.1069 14.8442 14.8442 16.5798 16.5798 k = 0.1406 0.0812 0.2296 ( 2229 PWs) bands (ev): -36.4177 -36.4177 -15.4619 -15.4619 -14.9656 -14.9656 -14.9572 -14.9572 4.0477 4.0477 8.8957 8.8957 9.0391 9.0391 9.4917 9.4917 9.5218 9.5218 9.7725 9.7725 10.4172 10.4172 10.4949 10.4949 10.6756 10.6756 10.8336 10.8336 10.8862 10.8862 11.6364 11.6364 11.7422 11.7422 13.2384 13.2384 14.1604 14.1604 14.8386 14.8386 16.5797 16.5797 k = 0.1339 0.0773 0.2187 ( 2227 PWs) bands (ev): -36.4177 -36.4177 -15.4614 -15.4614 -14.9648 -14.9648 -14.9570 -14.9570 3.9849 3.9849 8.9261 8.9261 9.0407 9.0407 9.4788 9.4788 9.5145 9.5145 9.7484 9.7484 10.4839 10.4839 10.5204 10.5204 10.6859 10.6859 10.8494 10.8494 10.8982 10.8982 11.6780 11.6780 11.7481 11.7481 13.1716 13.1716 14.2142 14.2142 14.8354 14.8354 16.5755 16.5755 k = 0.1272 0.0735 0.2078 ( 2227 PWs) bands (ev): -36.4178 -36.4178 -15.4609 -15.4609 -14.9640 -14.9640 -14.9567 -14.9567 3.9247 3.9247 8.9548 8.9548 9.0436 9.0436 9.4661 9.4661 9.5054 9.5054 9.7245 9.7245 10.5291 10.5291 10.5631 10.5631 10.6960 10.6960 10.8658 10.8658 10.9135 10.9135 11.7186 11.7186 11.7570 11.7570 13.1052 13.1052 14.2683 14.2683 14.8348 14.8348 16.5696 16.5696 k = 0.1205 0.0696 0.1968 ( 2227 PWs) bands (ev): -36.4179 -36.4179 -15.4604 -15.4604 -14.9632 -14.9632 -14.9565 -14.9565 3.8673 3.8673 8.9817 8.9817 9.0480 9.0480 9.4537 9.4537 9.4953 9.4953 9.7007 9.7007 10.5530 10.5530 10.6181 10.6181 10.7075 10.7075 10.8853 10.8853 10.9323 10.9323 11.7517 11.7517 11.7750 11.7750 13.0392 13.0392 14.3226 14.3226 14.8369 14.8369 16.5635 16.5635 k = 0.1138 0.0657 0.1859 ( 2215 PWs) bands (ev): -36.4180 -36.4180 -15.4599 -15.4599 -14.9624 -14.9624 -14.9562 -14.9562 3.8126 3.8126 9.0062 9.0062 9.0543 9.0543 9.4416 9.4416 9.4846 9.4846 9.6772 9.6772 10.5730 10.5730 10.6601 10.6601 10.7239 10.7239 10.9117 10.9117 10.9540 10.9540 11.7693 11.7693 11.8103 11.8103 12.9738 12.9738 14.3772 14.3772 14.8415 14.8415 16.5583 16.5583 k = 0.1071 0.0619 0.1750 ( 2219 PWs) bands (ev): -36.4181 -36.4181 -15.4595 -15.4595 -14.9616 -14.9616 -14.9561 -14.9561 3.7608 3.7608 9.0277 9.0277 9.0629 9.0629 9.4300 9.4300 9.4736 9.4736 9.6539 9.6539 10.5909 10.5909 10.6827 10.6827 10.7458 10.7458 10.9481 10.9481 10.9781 10.9781 11.7843 11.7843 11.8496 11.8496 12.9090 12.9090 14.4317 14.4317 14.8488 14.8488 16.5544 16.5544 k = 0.1004 0.0580 0.1640 ( 2211 PWs) bands (ev): -36.4181 -36.4181 -15.4590 -15.4590 -14.9608 -14.9608 -14.9558 -14.9558 3.7119 3.7119 9.0450 9.0450 9.0751 9.0751 9.4188 9.4188 9.4627 9.4627 9.6310 9.6310 10.6074 10.6074 10.6934 10.6934 10.7657 10.7657 10.9936 10.9936 11.0046 11.0046 11.8013 11.8013 11.8886 11.8886 12.8451 12.8451 14.4862 14.4862 14.8585 14.8585 16.5524 16.5524 k = 0.0938 0.0541 0.1531 ( 2207 PWs) bands (ev): -36.4182 -36.4182 -15.4586 -15.4586 -14.9601 -14.9601 -14.9556 -14.9556 3.6659 3.6659 9.0583 9.0583 9.0903 9.0903 9.4083 9.4083 9.4521 9.4521 9.6083 9.6083 10.6223 10.6223 10.6990 10.6990 10.7797 10.7797 11.0318 11.0318 11.0457 11.0457 11.8213 11.8213 11.9263 11.9263 12.7821 12.7821 14.5405 14.5405 14.8705 14.8705 16.5524 16.5524 k = 0.0871 0.0503 0.1422 ( 2207 PWs) bands (ev): -36.4183 -36.4183 -15.4582 -15.4582 -14.9594 -14.9594 -14.9555 -14.9555 3.6229 3.6229 9.0696 9.0696 9.1068 9.1068 9.3984 9.3984 9.4418 9.4418 9.5861 9.5861 10.6355 10.6355 10.7023 10.7023 10.7890 10.7890 11.0615 11.0615 11.0976 11.0976 11.8446 11.8446 11.9622 11.9622 12.7202 12.7202 14.5944 14.5944 14.8846 14.8846 16.5547 16.5547 k = 0.0804 0.0464 0.1312 ( 2205 PWs) bands (ev): -36.4183 -36.4183 -15.4578 -15.4578 -14.9587 -14.9587 -14.9553 -14.9553 3.5829 3.5829 9.0803 9.0803 9.1228 9.1228 9.3893 9.3893 9.4322 9.4322 9.5644 9.5644 10.6473 10.6473 10.7042 10.7042 10.7953 10.7953 11.0924 11.0924 11.1476 11.1476 11.8714 11.8714 11.9961 11.9961 12.6597 12.6597 14.6476 14.6476 14.9005 14.9005 16.5592 16.5592 k = 0.0737 0.0425 0.1203 ( 2199 PWs) bands (ev): -36.4184 -36.4184 -15.4575 -15.4575 -14.9580 -14.9580 -14.9552 -14.9552 3.5460 3.5460 9.0911 9.0911 9.1375 9.1375 9.3809 9.3809 9.4231 9.4231 9.5432 9.5432 10.6577 10.6577 10.7053 10.7053 10.7997 10.7997 11.1243 11.1243 11.1935 11.1935 11.9016 11.9016 12.0277 12.0277 12.6008 12.6008 14.6999 14.6999 14.9177 14.9177 16.5659 16.5659 k = 0.0670 0.0387 0.1094 ( 2199 PWs) bands (ev): -36.4185 -36.4185 -15.4571 -15.4571 -14.9574 -14.9574 -14.9551 -14.9551 3.5122 3.5122 9.1023 9.1023 9.1507 9.1507 9.3733 9.3733 9.4145 9.4145 9.5229 9.5229 10.6666 10.6666 10.7057 10.7057 10.8030 10.8030 11.1569 11.1569 11.2342 11.2342 11.9347 11.9347 12.0567 12.0567 12.5437 12.5437 14.7509 14.7509 14.9359 14.9359 16.5748 16.5748 k = 0.0603 0.0348 0.0984 ( 2203 PWs) bands (ev): -36.4185 -36.4185 -15.4568 -15.4568 -14.9569 -14.9569 -14.9550 -14.9550 3.4815 3.4815 9.1139 9.1139 9.1621 9.1621 9.3665 9.3665 9.4063 9.4063 9.5035 9.5035 10.6742 10.6742 10.7056 10.7056 10.8056 10.8056 11.1897 11.1897 11.2693 11.2693 11.9698 11.9698 12.0832 12.0832 12.4889 12.4889 14.8001 14.8001 14.9545 14.9545 16.5855 16.5855 k = 0.0536 0.0309 0.0875 ( 2203 PWs) bands (ev): -36.4186 -36.4186 -15.4566 -15.4566 -14.9564 -14.9564 -14.9549 -14.9549 3.4540 3.4540 9.1259 9.1259 9.1718 9.1718 9.3606 9.3606 9.3985 9.3985 9.4854 9.4854 10.6806 10.6806 10.7052 10.7052 10.8076 10.8076 11.2225 11.2225 11.2989 11.2989 12.0060 12.0060 12.1070 12.1070 12.4367 12.4367 14.8472 14.8472 14.9730 14.9730 16.5978 16.5978 k = 0.0469 0.0271 0.0765 ( 2207 PWs) bands (ev): -36.4186 -36.4186 -15.4564 -15.4564 -14.9560 -14.9560 -14.9548 -14.9548 3.4296 3.4296 9.1380 9.1380 9.1798 9.1798 9.3555 9.3555 9.3907 9.3907 9.4690 9.4690 10.6860 10.6860 10.7047 10.7047 10.8094 10.8094 11.2545 11.2545 11.3234 11.3234 12.0416 12.0416 12.1283 12.1283 12.3877 12.3877 14.8916 14.8916 14.9910 14.9910 16.6112 16.6112 k = 0.0402 0.0232 0.0656 ( 2207 PWs) bands (ev): -36.4186 -36.4186 -15.4561 -15.4561 -14.9556 -14.9556 -14.9547 -14.9547 3.4085 3.4085 9.1503 9.1503 9.1863 9.1863 9.3511 9.3511 9.3825 9.3825 9.4548 9.4548 10.6904 10.6904 10.7039 10.7039 10.8108 10.8108 11.2853 11.2853 11.3433 11.3433 12.0752 12.0752 12.1470 12.1470 12.3426 12.3426 14.9324 14.9324 15.0078 15.0078 16.6251 16.6251 k = 0.0335 0.0193 0.0547 ( 2213 PWs) bands (ev): -36.4187 -36.4187 -15.4560 -15.4560 -14.9553 -14.9553 -14.9547 -14.9547 3.3906 3.3906 9.1623 9.1623 9.1913 9.1913 9.3475 9.3475 9.3737 9.3737 9.4433 9.4433 10.6939 10.6939 10.7032 10.7032 10.8120 10.8120 11.3139 11.3139 11.3591 11.3591 12.1051 12.1051 12.1635 12.1635 12.3023 12.3023 14.9690 14.9690 15.0231 15.0231 16.6389 16.6389 k = 0.0268 0.0155 0.0437 ( 2221 PWs) bands (ev): -36.4187 -36.4187 -15.4559 -15.4559 -14.9550 -14.9550 -14.9546 -14.9546 3.3759 3.3759 9.1738 9.1738 9.1950 9.1950 9.3445 9.3445 9.3644 9.3644 9.4346 9.4346 10.6966 10.6966 10.7025 10.7025 10.8130 10.8130 11.3396 11.3396 11.3713 11.3713 12.1293 12.1293 12.1780 12.1780 12.2680 12.2680 15.0006 15.0006 15.0362 15.0362 16.6516 16.6516 k = 0.0201 0.0116 0.0328 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4558 -15.4558 -14.9548 -14.9548 -14.9546 -14.9546 3.3644 3.3644 9.1842 9.1842 9.1977 9.1977 9.3423 9.3423 9.3551 9.3551 9.4286 9.4286 10.6986 10.6986 10.7019 10.7019 10.8138 10.8138 11.3612 11.3612 11.3804 11.3804 12.1462 12.1462 12.1908 12.1908 12.2411 12.2411 15.0263 15.0263 15.0468 15.0468 16.6625 16.6625 k = 0.0134 0.0077 0.0219 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4557 -15.4557 -14.9547 -14.9547 -14.9546 -14.9546 3.3563 3.3563 9.1929 9.1929 9.1995 9.1995 9.3406 9.3406 9.3470 9.3470 9.4247 9.4247 10.6999 10.6999 10.7014 10.7014 10.8144 10.8144 11.3776 11.3776 11.3866 11.3866 12.1551 12.1551 12.2016 12.2016 12.2231 12.2231 15.0454 15.0454 15.0546 15.0546 16.6705 16.6706 k = 0.0067 0.0039 0.0109 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4556 -15.4556 -14.9546 -14.9546 -14.9546 -14.9546 3.3514 3.3514 9.1988 9.1988 9.2005 9.2005 9.3397 9.3397 9.3414 9.3414 9.4226 9.4226 10.7008 10.7008 10.7011 10.7011 10.8147 10.8147 11.3880 11.3880 11.3903 11.3903 12.1577 12.1577 12.2090 12.2090 12.2141 12.2141 15.0571 15.0571 15.0594 15.0594 16.6734 16.6734 k = 0.0000 0.0000 0.0000 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4556 -15.4556 -14.9546 -14.9546 -14.9546 -14.9546 3.3497 3.3497 9.2008 9.2008 9.2008 9.2008 9.3393 9.3393 9.3393 9.3393 9.4220 9.4220 10.7010 10.7010 10.7010 10.7010 10.8148 10.8148 11.3915 11.3915 11.3915 11.3915 12.1577 12.1577 12.2116 12.2116 12.2116 12.2116 15.0610 15.0610 15.0610 15.0610 16.6722 16.6723 k = 0.0000 0.0000 0.0000 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4556 -15.4556 -14.9546 -14.9546 -14.9546 -14.9546 3.3497 3.3497 9.2008 9.2008 9.2008 9.2008 9.3393 9.3393 9.3393 9.3393 9.4220 9.4220 10.7010 10.7010 10.7010 10.7010 10.8148 10.8148 11.3915 11.3915 11.3915 11.3915 12.1577 12.1577 12.2116 12.2116 12.2116 12.2116 15.0610 15.0610 15.0610 15.0610 16.6722 16.6723 k = 0.0109 0.0063 0.0044 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4556 -15.4556 -14.9546 -14.9546 -14.9546 -14.9546 3.3513 3.3513 9.1994 9.1994 9.1999 9.1999 9.3396 9.3396 9.3414 9.3414 9.4226 9.4226 10.7007 10.7007 10.7011 10.7011 10.8147 10.8147 11.3891 11.3891 11.3893 11.3893 12.1576 12.1576 12.2090 12.2090 12.2141 12.2141 15.0583 15.0583 15.0583 15.0583 16.6731 16.6731 k = 0.0217 0.0126 0.0089 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4557 -15.4557 -14.9547 -14.9547 -14.9546 -14.9546 3.3562 3.3562 9.1954 9.1954 9.1971 9.1971 9.3401 9.3401 9.3474 9.3474 9.4247 9.4247 10.6999 10.6999 10.7015 10.7015 10.8144 10.8144 11.3819 11.3819 11.3826 11.3826 12.1533 12.1533 12.2049 12.2049 12.2217 12.2217 15.0501 15.0501 15.0502 15.0502 16.6673 16.6673 k = 0.0326 0.0188 0.0133 ( 2229 PWs) bands (ev): -36.4187 -36.4187 -15.4558 -15.4558 -14.9549 -14.9549 -14.9546 -14.9546 3.3643 3.3643 9.1893 9.1893 9.1929 9.1929 9.3403 9.3403 9.3566 9.3566 9.4286 9.4286 10.6985 10.6985 10.7020 10.7020 10.8138 10.8138 11.3702 11.3702 11.3718 11.3718 12.1357 12.1357 12.2085 12.2085 12.2340 12.2340 15.0367 15.0367 15.0371 15.0371 16.6549 16.6549 k = 0.0435 0.0251 0.0177 ( 2214 PWs) bands (ev): -36.4187 -36.4187 -15.4558 -15.4558 -14.9550 -14.9550 -14.9546 -14.9546 3.3756 3.3756 9.1821 9.1821 9.1877 9.1877 9.3395 9.3395 9.3685 9.3685 9.4346 9.4346 10.6965 10.6965 10.7027 10.7027 10.8132 10.8132 11.3545 11.3545 11.3572 11.3572 12.1030 12.1030 12.2218 12.2218 12.2507 12.2507 15.0188 15.0188 15.0195 15.0195 16.6376 16.6377 k = 0.0543 0.0314 0.0222 ( 2208 PWs) bands (ev): -36.4187 -36.4187 -15.4560 -15.4560 -14.9553 -14.9553 -14.9546 -14.9546 3.3901 3.3901 9.1742 9.1742 9.1817 9.1817 9.3370 9.3370 9.3824 9.3824 9.4429 9.4429 10.6940 10.6940 10.7033 10.7033 10.8123 10.8123 11.3354 11.3354 11.3394 11.3394 12.0579 12.0579 12.2414 12.2414 12.2712 12.2712 14.9968 14.9968 14.9979 14.9979 16.6164 16.6164 k = 0.0652 0.0377 0.0266 ( 2214 PWs) bands (ev): -36.4186 -36.4186 -15.4562 -15.4562 -14.9556 -14.9556 -14.9547 -14.9547 3.4078 3.4078 9.1658 9.1658 9.1752 9.1752 9.3325 9.3325 9.3977 9.3977 9.4535 9.4535 10.6908 10.6908 10.7037 10.7037 10.8113 10.8113 11.3133 11.3133 11.3187 11.3187 12.0026 12.0026 12.2654 12.2654 12.2950 12.2950 14.9715 14.9715 14.9730 14.9730 16.5920 16.5920 k = 0.0761 0.0439 0.0311 ( 2199 PWs) bands (ev): -36.4186 -36.4186 -15.4563 -15.4563 -14.9560 -14.9560 -14.9547 -14.9547 3.4287 3.4287 9.1575 9.1575 9.1688 9.1688 9.3261 9.3261 9.4144 9.4144 9.4661 9.4661 10.6871 10.6871 10.7040 10.7040 10.8104 10.8104 11.2889 11.2889 11.2957 11.2957 11.9386 11.9386 12.2928 12.2928 12.3218 12.3218 14.9436 14.9436 14.9456 14.9456 16.5649 16.5649 k = 0.0870 0.0502 0.0355 ( 2205 PWs) bands (ev): -36.4186 -36.4186 -15.4566 -15.4566 -14.9565 -14.9565 -14.9548 -14.9548 3.4527 3.4527 9.1494 9.1494 9.1623 9.1623 9.3177 9.3177 9.4319 9.4319 9.4804 9.4804 10.6826 10.6826 10.7037 10.7037 10.8095 10.8095 11.2625 11.2625 11.2708 11.2708 11.8667 11.8667 12.3227 12.3227 12.3508 12.3508 14.9137 14.9137 14.9163 14.9163 16.5358 16.5358 k = 0.0978 0.0565 0.0399 ( 2205 PWs) bands (ev): -36.4185 -36.4185 -15.4568 -15.4568 -14.9570 -14.9570 -14.9549 -14.9549 3.4800 3.4800 9.1416 9.1416 9.1560 9.1560 9.3075 9.3075 9.4502 9.4502 9.4960 9.4960 10.6777 10.6777 10.7029 10.7029 10.8088 10.8088 11.2346 11.2346 11.2443 11.2443 11.7879 11.7879 12.3547 12.3547 12.3817 12.3817 14.8826 14.8826 14.8857 14.8857 16.5053 16.5053 k = 0.1087 0.0628 0.0444 ( 2205 PWs) bands (ev): -36.4185 -36.4185 -15.4571 -15.4571 -14.9575 -14.9575 -14.9549 -14.9549 3.5103 3.5103 9.1343 9.1343 9.1501 9.1501 9.2956 9.2956 9.4691 9.4691 9.5128 9.5128 10.6722 10.6722 10.7014 10.7014 10.8083 10.8083 11.2057 11.2057 11.2167 11.2167 11.7031 11.7031 12.3882 12.3882 12.4142 12.4142 14.8509 14.8509 14.8546 14.8546 16.4737 16.4737 k = 0.1196 0.0690 0.0488 ( 2205 PWs) bands (ev): -36.4184 -36.4184 -15.4575 -15.4575 -14.9582 -14.9582 -14.9550 -14.9550 3.5437 3.5437 9.1276 9.1276 9.1446 9.1446 9.2820 9.2820 9.4886 9.4886 9.5305 9.5305 10.6660 10.6660 10.6989 10.6989 10.8080 10.8080 11.1759 11.1759 11.1883 11.1883 11.6132 11.6132 12.4229 12.4229 12.4477 12.4477 14.8190 14.8190 14.8233 14.8233 16.4414 16.4414 k = 0.1304 0.0753 0.0532 ( 2193 PWs) bands (ev): -36.4183 -36.4183 -15.4578 -15.4578 -14.9588 -14.9588 -14.9551 -14.9551 3.5802 3.5802 9.1217 9.1217 9.1397 9.1397 9.2668 9.2668 9.5087 9.5087 9.5490 9.5490 10.6593 10.6593 10.6955 10.6955 10.8078 10.8078 11.1457 11.1457 11.1593 11.1593 11.5194 11.5194 12.4585 12.4585 12.4821 12.4821 14.7877 14.7877 14.7926 14.7926 16.4087 16.4087 k = 0.1413 0.0816 0.0577 ( 2199 PWs) bands (ev): -36.4183 -36.4183 -15.4581 -15.4581 -14.9595 -14.9595 -14.9552 -14.9552 3.6197 3.6197 9.1163 9.1163 9.1352 9.1352 9.2497 9.2497 9.5290 9.5290 9.5681 9.5681 10.6519 10.6519 10.6909 10.6909 10.8076 10.8076 11.1151 11.1151 11.1300 11.1300 11.4224 11.4224 12.4945 12.4945 12.5169 12.5169 14.7572 14.7572 14.7627 14.7627 16.3759 16.3759 k = 0.1522 0.0879 0.0621 ( 2208 PWs) bands (ev): -36.4182 -36.4182 -15.4586 -15.4586 -14.9603 -14.9603 -14.9553 -14.9553 3.6623 3.6623 9.1115 9.1115 9.1311 9.1311 9.2311 9.2311 9.5496 9.5496 9.5876 9.5876 10.6438 10.6438 10.6851 10.6851 10.8073 10.8073 11.0844 11.0844 11.1004 11.1004 11.3234 11.3234 12.5307 12.5307 12.5519 12.5519 14.7282 14.7282 14.7342 14.7342 16.3431 16.3431 k = 0.1630 0.0941 0.0666 ( 2208 PWs) bands (ev): -36.4181 -36.4181 -15.4590 -15.4590 -14.9611 -14.9611 -14.9554 -14.9554 3.7078 3.7078 9.1075 9.1075 9.1271 9.1271 9.2107 9.2107 9.5705 9.5705 9.6075 9.6075 10.6351 10.6351 10.6781 10.6781 10.8065 10.8065 11.0538 11.0538 11.0708 11.0708 11.2239 11.2239 12.5669 12.5669 12.5868 12.5868 14.7010 14.7010 14.7074 14.7074 16.3104 16.3104 k = 0.1739 0.1004 0.0710 ( 2208 PWs) bands (ev): -36.4181 -36.4181 -15.4594 -15.4594 -14.9619 -14.9619 -14.9555 -14.9555 3.7562 3.7562 9.1041 9.1041 9.1228 9.1228 9.1890 9.1890 9.5916 9.5916 9.6277 9.6277 10.6258 10.6258 10.6700 10.6700 10.8047 10.8047 11.0226 11.0226 11.0414 11.0414 11.1256 11.1256 12.6027 12.6027 12.6213 12.6213 14.6760 14.6760 14.6829 14.6829 16.2778 16.2778 k = 0.1848 0.1067 0.0754 ( 2208 PWs) bands (ev): -36.4180 -36.4180 -15.4598 -15.4598 -14.9627 -14.9627 -14.9556 -14.9556 3.8075 3.8075 9.1015 9.1015 9.1164 9.1164 9.1674 9.1674 9.6128 9.6128 9.6481 9.6481 10.6158 10.6158 10.6606 10.6606 10.8009 10.8009 10.9867 10.9867 11.0123 11.0123 11.0352 11.0352 12.6380 12.6380 12.6552 12.6552 14.6536 14.6536 14.6608 14.6608 16.2455 16.2455 k = 0.1957 0.1130 0.0799 ( 2214 PWs) bands (ev): -36.4179 -36.4179 -15.4603 -15.4603 -14.9636 -14.9636 -14.9558 -14.9558 3.8616 3.8616 9.0996 9.0996 9.1032 9.1032 9.1500 9.1500 9.6341 9.6341 9.6686 9.6686 10.6051 10.6051 10.6496 10.6496 10.7920 10.7920 10.9227 10.9227 10.9799 10.9799 10.9835 10.9835 12.6725 12.6725 12.6881 12.6881 14.6341 14.6341 14.6415 14.6415 16.2134 16.2134 k = 0.2065 0.1192 0.0843 ( 2214 PWs) bands (ev): -36.4178 -36.4178 -15.4608 -15.4608 -14.9645 -14.9645 -14.9559 -14.9559 3.9185 3.9185 9.0785 9.0785 9.0984 9.0984 9.1410 9.1410 9.6555 9.6555 9.6892 9.6892 10.5938 10.5938 10.6368 10.6368 10.7662 10.7662 10.8543 10.8543 10.9496 10.9496 10.9553 10.9553 12.7059 12.7059 12.7200 12.7200 14.6179 14.6179 14.6254 14.6254 16.1814 16.1814 k = 0.2174 0.1255 0.0887 ( 2220 PWs) bands (ev): -36.4178 -36.4178 -15.4613 -15.4613 -14.9654 -14.9654 -14.9561 -14.9561 3.9782 3.9782 9.0444 9.0444 9.0978 9.0978 9.1379 9.1379 9.6769 9.6769 9.7098 9.7098 10.5817 10.5817 10.6198 10.6198 10.7075 10.7075 10.8200 10.8200 10.9248 10.9248 10.9276 10.9276 12.7381 12.7381 12.7505 12.7505 14.6053 14.6053 14.6127 14.6127 16.1495 16.1495 k = 0.2283 0.1318 0.0932 ( 2220 PWs) bands (ev): -36.4177 -36.4177 -15.4618 -15.4618 -14.9663 -14.9663 -14.9562 -14.9562 4.0405 4.0405 9.0034 9.0034 9.0979 9.0979 9.1376 9.1376 9.6983 9.6983 9.7304 9.7304 10.5690 10.5690 10.5879 10.5879 10.6464 10.6464 10.8033 10.8033 10.9006 10.9006 10.9037 10.9037 12.7689 12.7689 12.7794 12.7794 14.5965 14.5965 14.6037 14.6037 16.1176 16.1176 k = 0.2391 0.1381 0.0976 ( 2220 PWs) bands (ev): -36.4176 -36.4176 -15.4622 -15.4622 -14.9672 -14.9672 -14.9563 -14.9563 4.1055 4.1055 8.9561 8.9561 9.0987 9.0987 9.1389 9.1389 9.7196 9.7196 9.7508 9.7508 10.5258 10.5258 10.5557 10.5557 10.6147 10.6147 10.7886 10.7886 10.8744 10.8744 10.8861 10.8861 12.7980 12.7980 12.8065 12.8065 14.5918 14.5918 14.5987 14.5987 16.0854 16.0854 k = 0.2500 0.1443 0.1021 ( 2214 PWs) bands (ev): -36.4175 -36.4175 -15.4627 -15.4627 -14.9681 -14.9681 -14.9565 -14.9565 4.1730 4.1730 8.9026 8.9026 9.1001 9.1001 9.1413 9.1413 9.7408 9.7408 9.7711 9.7711 10.4553 10.4553 10.5417 10.5417 10.5952 10.5952 10.7725 10.7725 10.8489 10.8489 10.8718 10.8718 12.8252 12.8252 12.8317 12.8317 14.5914 14.5914 14.5978 14.5978 16.0530 16.0530 k = 0.2609 0.1506 0.1065 ( 2223 PWs) bands (ev): -36.4174 -36.4174 -15.4632 -15.4632 -14.9690 -14.9690 -14.9566 -14.9566 4.2430 4.2430 8.8423 8.8423 9.1021 9.1021 9.1445 9.1445 9.7618 9.7618 9.7910 9.7910 10.3883 10.3883 10.5271 10.5271 10.5775 10.5775 10.7548 10.7548 10.8242 10.8242 10.8601 10.8601 12.8504 12.8504 12.8546 12.8546 14.5955 14.5955 14.6012 14.6012 16.0198 16.0198 k = 0.2717 0.1569 0.1109 ( 2220 PWs) bands (ev): -36.4173 -36.4173 -15.4637 -15.4637 -14.9699 -14.9699 -14.9568 -14.9568 4.3154 4.3154 8.7754 8.7754 9.1046 9.1046 9.1485 9.1485 9.7828 9.7828 9.8107 9.8107 10.3280 10.3280 10.5120 10.5120 10.5600 10.5600 10.7359 10.7359 10.8005 10.8005 10.8500 10.8500 12.8736 12.8736 12.8755 12.8755 14.6042 14.6042 14.6091 14.6091 15.9857 15.9857 k = 0.2826 0.1632 0.1154 ( 2220 PWs) bands (ev): -36.4173 -36.4173 -15.4642 -15.4642 -14.9708 -14.9708 -14.9569 -14.9569 4.3901 4.3901 8.7018 8.7018 9.1076 9.1076 9.1531 9.1531 9.8035 9.8035 9.8300 9.8300 10.2748 10.2748 10.4963 10.4963 10.5421 10.5421 10.7165 10.7165 10.7776 10.7776 10.8407 10.8407 12.8941 12.8941 12.8946 12.8946 14.6174 14.6174 14.6215 14.6215 15.9504 15.9504 k = 0.2935 0.1694 0.1198 ( 2220 PWs) bands (ev): -36.4172 -36.4172 -15.4647 -15.4647 -14.9717 -14.9717 -14.9570 -14.9570 4.4671 4.4671 8.6218 8.6218 9.1111 9.1111 9.1583 9.1583 9.8240 9.8240 9.8488 9.8488 10.2293 10.2293 10.4802 10.4802 10.5237 10.5237 10.6971 10.6971 10.7556 10.7556 10.8315 10.8315 12.9104 12.9104 12.9135 12.9135 14.6353 14.6353 14.6384 14.6384 15.9135 15.9135 k = 0.3043 0.1757 0.1242 ( 2223 PWs) bands (ev): -36.4171 -36.4171 -15.4652 -15.4652 -14.9726 -14.9726 -14.9572 -14.9572 4.5463 4.5463 8.5357 8.5357 9.1149 9.1149 9.1640 9.1640 9.8443 9.8443 9.8671 9.8671 10.1915 10.1915 10.4636 10.4636 10.5050 10.5050 10.6780 10.6780 10.7346 10.7346 10.8221 10.8221 12.9246 12.9246 12.9301 12.9301 14.6577 14.6577 14.6597 14.6597 15.8748 15.8748 k = 0.3152 0.1820 0.1287 ( 2217 PWs) bands (ev): -36.4170 -36.4170 -15.4656 -15.4656 -14.9734 -14.9734 -14.9572 -14.9572 4.6275 4.6275 8.4444 8.4444 9.1192 9.1192 9.1702 9.1702 9.8644 9.8644 9.8848 9.8848 10.1611 10.1611 10.4468 10.4468 10.4859 10.4859 10.6595 10.6595 10.7145 10.7145 10.8122 10.8122 12.9366 12.9366 12.9447 12.9447 14.6845 14.6845 14.6854 14.6854 15.8339 15.8339 k = 0.3261 0.1883 0.1331 ( 2211 PWs) bands (ev): -36.4169 -36.4169 -15.4660 -15.4660 -14.9742 -14.9742 -14.9573 -14.9573 4.7106 4.7106 8.3484 8.3484 9.1238 9.1238 9.1767 9.1767 9.8842 9.8842 9.9017 9.9017 10.1377 10.1377 10.4296 10.4296 10.4668 10.4668 10.6415 10.6415 10.6953 10.6953 10.8015 10.8015 12.9466 12.9466 12.9573 12.9573 14.7153 14.7153 14.7154 14.7154 15.7909 15.7909 k = 0.3370 0.1945 0.1376 ( 2217 PWs) bands (ev): -36.4169 -36.4169 -15.4665 -15.4665 -14.9750 -14.9750 -14.9575 -14.9575 4.7955 4.7955 8.2485 8.2485 9.1285 9.1285 9.1834 9.1834 9.9037 9.9037 9.9177 9.9177 10.1205 10.1205 10.4123 10.4123 10.4475 10.4475 10.6241 10.6241 10.6771 10.6771 10.7901 10.7901 12.9547 12.9547 12.9679 12.9679 14.7490 14.7490 14.7502 14.7502 15.7457 15.7457 k = 0.3478 0.2008 0.1420 ( 2223 PWs) bands (ev): -36.4168 -36.4168 -15.4669 -15.4669 -14.9758 -14.9758 -14.9576 -14.9576 4.8820 4.8820 8.1454 8.1454 9.1334 9.1334 9.1904 9.1904 9.9229 9.9229 9.9328 9.9328 10.1094 10.1094 10.3949 10.3949 10.4284 10.4284 10.6073 10.6073 10.6597 10.6597 10.7778 10.7778 12.9612 12.9612 12.9768 12.9768 14.7862 14.7862 14.7885 14.7885 15.6988 15.6988 k = 0.3587 0.2071 0.1464 ( 2229 PWs) bands (ev): -36.4167 -36.4167 -15.4674 -15.4674 -14.9765 -14.9765 -14.9577 -14.9577 4.9701 4.9701 8.0400 8.0400 9.1385 9.1385 9.1975 9.1975 9.9417 9.9417 9.9468 9.9468 10.1036 10.1036 10.3773 10.3773 10.4096 10.4096 10.5911 10.5911 10.6434 10.6434 10.7647 10.7647 12.9661 12.9661 12.9840 12.9840 14.8268 14.8268 14.8300 14.8300 15.6507 15.6507 k = 0.3696 0.2134 0.1509 ( 2229 PWs) bands (ev): -36.4167 -36.4167 -15.4677 -15.4677 -14.9772 -14.9772 -14.9578 -14.9578 5.0593 5.0593 7.9329 7.9329 9.1435 9.1435 9.2046 9.2046 9.9599 9.9599 9.9603 9.9603 10.1025 10.1025 10.3599 10.3599 10.3912 10.3912 10.5757 10.5757 10.6280 10.6280 10.7508 10.7508 12.9698 12.9698 12.9899 12.9899 14.8701 14.8701 14.8742 14.8742 15.6021 15.6022 k = 0.3804 0.2196 0.1553 ( 2229 PWs) bands (ev): -36.4166 -36.4166 -15.4681 -15.4681 -14.9778 -14.9778 -14.9579 -14.9579 5.1496 5.1496 7.8248 7.8248 9.1486 9.1486 9.2117 9.2117 9.9721 9.9721 9.9785 9.9785 10.1053 10.1053 10.3425 10.3425 10.3734 10.3734 10.5610 10.5610 10.6136 10.6136 10.7364 10.7364 12.9724 12.9724 12.9946 12.9946 14.9159 14.9159 14.9206 14.9206 15.5541 15.5541 k = 0.3913 0.2259 0.1597 ( 2223 PWs) bands (ev): -36.4166 -36.4166 -15.4684 -15.4684 -14.9783 -14.9783 -14.9580 -14.9580 5.2405 5.2405 7.7166 7.7166 9.1535 9.1535 9.2186 9.2186 9.9835 9.9835 9.9965 9.9965 10.1114 10.1114 10.3253 10.3253 10.3563 10.3563 10.5469 10.5469 10.6003 10.6003 10.7216 10.7216 12.9742 12.9742 12.9983 12.9983 14.9633 14.9633 14.9686 14.9686 15.5074 15.5074 k = 0.4022 0.2322 0.1642 ( 2223 PWs) bands (ev): -36.4165 -36.4165 -15.4687 -15.4687 -14.9789 -14.9789 -14.9581 -14.9581 5.3316 5.3316 7.6090 7.6090 9.1582 9.1582 9.2253 9.2253 9.9942 9.9942 10.0141 10.0141 10.1200 10.1200 10.3083 10.3083 10.3400 10.3400 10.5336 10.5336 10.5879 10.5879 10.7065 10.7065 12.9752 12.9752 13.0011 13.0011 15.0120 15.0120 15.0175 15.0175 15.4630 15.4630 k = 0.4130 0.2385 0.1686 ( 2226 PWs) bands (ev): -36.4165 -36.4165 -15.4690 -15.4690 -14.9794 -14.9794 -14.9582 -14.9582 5.4223 5.4223 7.5028 7.5028 9.1626 9.1626 9.2315 9.2315 10.0043 10.0043 10.0314 10.0314 10.1304 10.1304 10.2914 10.2914 10.3244 10.3244 10.5211 10.5211 10.5767 10.5767 10.6915 10.6915 12.9757 12.9757 13.0031 13.0031 15.0610 15.0610 15.0666 15.0666 15.4215 15.4215 k = 0.4239 0.2447 0.1731 ( 2232 PWs) bands (ev): -36.4164 -36.4164 -15.4693 -15.4693 -14.9798 -14.9798 -14.9583 -14.9583 5.5119 5.5119 7.3991 7.3991 9.1667 9.1667 9.2373 9.2373 10.0138 10.0138 10.0484 10.0484 10.1421 10.1421 10.2748 10.2748 10.3098 10.3098 10.5095 10.5095 10.5666 10.5666 10.6767 10.6767 12.9757 12.9757 13.0046 13.0046 15.1094 15.1094 15.1150 15.1150 15.3836 15.3836 k = 0.4348 0.2510 0.1775 ( 2231 PWs) bands (ev): -36.4164 -36.4164 -15.4695 -15.4695 -14.9802 -14.9802 -14.9583 -14.9583 5.5993 5.5993 7.2992 7.2992 9.1704 9.1704 9.2426 9.2426 10.0226 10.0226 10.0650 10.0650 10.1546 10.1546 10.2584 10.2584 10.2962 10.2962 10.4988 10.4988 10.5577 10.5577 10.6627 10.6627 12.9755 12.9755 13.0056 13.0056 15.1562 15.1562 15.1615 15.1615 15.3499 15.3499 k = 0.4457 0.2573 0.1819 ( 2231 PWs) bands (ev): -36.4164 -36.4164 -15.4697 -15.4697 -14.9805 -14.9805 -14.9584 -14.9584 5.6829 5.6829 7.2047 7.2047 9.1737 9.1737 9.2473 9.2473 10.0307 10.0307 10.0814 10.0814 10.1674 10.1674 10.2423 10.2423 10.2836 10.2836 10.4892 10.4892 10.5500 10.5500 10.6498 10.6498 12.9751 12.9751 13.0063 13.0063 15.2000 15.2000 15.2049 15.2049 15.3209 15.3209 k = 0.4565 0.2636 0.1864 ( 2225 PWs) bands (ev): -36.4163 -36.4163 -15.4698 -15.4698 -14.9808 -14.9808 -14.9584 -14.9584 5.7605 5.7605 7.1181 7.1181 9.1765 9.1765 9.2512 9.2512 10.0377 10.0377 10.0975 10.0975 10.1803 10.1803 10.2264 10.2264 10.2717 10.2717 10.4809 10.4809 10.5437 10.5437 10.6384 10.6384 12.9747 12.9747 13.0067 13.0067 15.2393 15.2393 15.2438 15.2438 15.2968 15.2968 k = 0.4674 0.2698 0.1908 ( 2231 PWs) bands (ev): -36.4163 -36.4163 -15.4699 -15.4699 -14.9810 -14.9810 -14.9584 -14.9584 5.8288 5.8288 7.0427 7.0427 9.1787 9.1787 9.2544 9.2544 10.0434 10.0434 10.1133 10.1133 10.1927 10.1927 10.2107 10.2107 10.2607 10.2607 10.4740 10.4740 10.5387 10.5387 10.6290 10.6290 12.9742 12.9742 13.0069 13.0069 15.2697 15.2697 15.2765 15.2765 15.2807 15.2807 k = 0.4783 0.2761 0.1952 ( 2243 PWs) bands (ev): -36.4163 -36.4163 -15.4701 -15.4701 -14.9812 -14.9812 -14.9585 -14.9585 5.8835 5.8835 6.9828 6.9828 9.1803 9.1803 9.2566 9.2566 10.0475 10.0475 10.1285 10.1285 10.1955 10.1955 10.2046 10.2046 10.2502 10.2502 10.4689 10.4689 10.5350 10.5350 10.6220 10.6220 12.9738 12.9738 13.0070 13.0070 15.2627 15.2627 15.2994 15.2994 15.3013 15.3013 k = 0.4891 0.2824 0.1997 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4701 -15.4701 -14.9813 -14.9813 -14.9585 -14.9585 5.9195 5.9195 6.9436 6.9436 9.1813 9.1813 9.2580 9.2580 10.0501 10.0501 10.1426 10.1426 10.1814 10.1814 10.2152 10.2152 10.2405 10.2405 10.4656 10.4656 10.5328 10.5328 10.6175 10.6175 12.9736 12.9736 13.0070 13.0070 15.2546 15.2546 15.3152 15.3152 15.3170 15.3170 k = 0.5000 0.2887 0.2041 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9321 5.9321 6.9300 6.9300 9.1816 9.1816 9.2585 9.2585 10.0510 10.0510 10.1507 10.1507 10.1733 10.1733 10.2215 10.2215 10.2346 10.2346 10.4645 10.4645 10.5321 10.5321 10.6161 10.6161 12.9735 12.9735 13.0071 13.0071 15.2519 15.2519 15.3207 15.3207 15.3223 15.3223 k = 0.5000 0.2887 0.2041 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9321 5.9321 6.9300 6.9300 9.1816 9.1816 9.2585 9.2585 10.0510 10.0510 10.1507 10.1507 10.1733 10.1733 10.2215 10.2215 10.2346 10.2346 10.4645 10.4645 10.5321 10.5321 10.6161 10.6161 12.9735 12.9735 13.0071 13.0071 15.2519 15.2519 15.3207 15.3207 15.3223 15.3223 k = 0.5038 0.2777 0.2103 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9328 5.9328 6.9313 6.9313 9.1810 9.1810 9.2579 9.2579 10.0495 10.0495 10.1497 10.1497 10.1702 10.1702 10.2191 10.2191 10.2429 10.2429 10.4649 10.4649 10.5320 10.5320 10.6166 10.6166 12.9715 12.9715 13.0053 13.0053 15.2485 15.2485 15.3181 15.3181 15.3204 15.3204 k = 0.5076 0.2668 0.2165 ( 2248 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9586 -14.9586 5.9348 5.9348 6.9354 6.9354 9.1791 9.1791 9.2562 9.2562 10.0452 10.0452 10.1465 10.1465 10.1628 10.1628 10.2199 10.2199 10.2583 10.2583 10.4658 10.4658 10.5318 10.5318 10.6182 10.6182 12.9649 12.9649 13.0007 13.0007 15.2377 15.2377 15.3098 15.3098 15.3163 15.3163 k = 0.5114 0.2559 0.2227 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9587 -14.9587 5.9381 5.9381 6.9421 6.9421 9.1751 9.1751 9.2543 9.2543 10.0382 10.0382 10.1391 10.1391 10.1564 10.1564 10.2252 10.2252 10.2758 10.2758 10.4672 10.4672 10.5315 10.5315 10.6209 10.6209 12.9524 12.9524 12.9948 12.9948 15.2179 15.2179 15.2988 15.2988 15.3098 15.3098 k = 0.5152 0.2449 0.2289 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9588 -14.9588 5.9428 5.9428 6.9515 6.9515 9.1680 9.1680 9.2532 9.2532 10.0287 10.0287 10.1277 10.1277 10.1534 10.1534 10.2334 10.2334 10.2941 10.2941 10.4690 10.4690 10.5310 10.5310 10.6247 10.6247 12.9329 12.9329 12.9887 12.9887 15.1877 15.1877 15.2876 15.2876 15.3009 15.3009 k = 0.5189 0.2340 0.2351 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4703 -15.4703 -14.9812 -14.9812 -14.9590 -14.9590 5.9488 5.9488 6.9636 6.9636 9.1569 9.1569 9.2540 9.2540 10.0170 10.0170 10.1149 10.1149 10.1523 10.1523 10.2433 10.2433 10.3126 10.3126 10.4712 10.4712 10.5304 10.5304 10.6297 10.6297 12.9070 12.9070 12.9826 12.9826 15.1473 15.1473 15.2775 15.2775 15.2899 15.2899 k = 0.5227 0.2231 0.2412 ( 2240 PWs) bands (ev): -36.4162 -36.4162 -15.4703 -15.4703 -14.9812 -14.9812 -14.9592 -14.9592 5.9561 5.9561 6.9783 6.9783 9.1413 9.1413 9.2572 9.2572 10.0037 10.0037 10.1023 10.1023 10.1526 10.1526 10.2545 10.2545 10.3307 10.3307 10.4735 10.4735 10.5298 10.5298 10.6358 10.6358 12.8753 12.8753 12.9761 12.9761 15.0979 15.0979 15.2688 15.2688 15.2770 15.2770 k = 0.5265 0.2121 0.2474 ( 2233 PWs) bands (ev): -36.4162 -36.4162 -15.4704 -15.4704 -14.9811 -14.9811 -14.9595 -14.9595 5.9647 5.9647 6.9955 6.9955 9.1213 9.1213 9.2628 9.2628 9.9890 9.9890 10.0901 10.0901 10.1538 10.1538 10.2665 10.2665 10.3483 10.3483 10.4761 10.4761 10.5294 10.5294 10.6432 10.6432 12.8388 12.8388 12.9689 12.9689 15.0408 15.0408 15.2598 15.2599 15.2640 15.2640 k = 0.5303 0.2012 0.2536 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4705 -15.4705 -14.9811 -14.9811 -14.9598 -14.9598 5.9746 5.9746 7.0153 7.0153 9.0973 9.0973 9.2705 9.2705 9.9731 9.9731 10.0786 10.0786 10.1560 10.1560 10.2791 10.2791 10.3649 10.3649 10.4787 10.4787 10.5291 10.5291 10.6517 10.6517 12.7979 12.7979 12.9610 12.9610 14.9770 14.9770 15.2450 15.2450 15.2568 15.2568 k = 0.5341 0.1903 0.2598 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4706 -15.4706 -14.9810 -14.9810 -14.9601 -14.9601 5.9857 5.9857 7.0375 7.0375 9.0696 9.0696 9.2801 9.2801 9.9565 9.9565 10.0677 10.0677 10.1590 10.1590 10.2921 10.2921 10.3803 10.3803 10.4814 10.4814 10.5292 10.5292 10.6612 10.6612 12.7537 12.7537 12.9521 12.9521 14.9076 14.9076 15.2278 15.2278 15.2523 15.2523 k = 0.5379 0.1793 0.2660 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4707 -15.4707 -14.9809 -14.9809 -14.9605 -14.9605 5.9982 5.9982 7.0622 7.0622 9.0385 9.0385 9.2914 9.2914 9.9393 9.9393 10.0574 10.0574 10.1628 10.1628 10.3054 10.3054 10.3941 10.3941 10.4843 10.4843 10.5300 10.5300 10.6718 10.6718 12.7065 12.7065 12.9424 12.9424 14.8338 14.8338 15.2096 15.2096 15.2494 15.2494 k = 0.5417 0.1684 0.2722 ( 2241 PWs) bands (ev): -36.4161 -36.4161 -15.4708 -15.4708 -14.9808 -14.9808 -14.9609 -14.9609 6.0118 6.0118 7.0892 7.0892 9.0045 9.0045 9.3042 9.3042 9.9217 9.9217 10.0476 10.0476 10.1674 10.1674 10.3189 10.3189 10.4060 10.4060 10.4873 10.4873 10.5317 10.5317 10.6832 10.6832 12.6568 12.6568 12.9317 12.9317 14.7563 14.7563 15.1908 15.1908 15.2480 15.2480 k = 0.5455 0.1575 0.2784 ( 2240 PWs) bands (ev): -36.4161 -36.4161 -15.4709 -15.4709 -14.9808 -14.9808 -14.9613 -14.9613 6.0266 6.0266 7.1184 7.1184 8.9677 8.9677 9.3184 9.3184 9.9038 9.9038 10.0382 10.0382 10.1727 10.1727 10.3324 10.3324 10.4158 10.4158 10.4903 10.4903 10.5347 10.5347 10.6953 10.6953 12.6053 12.6053 12.9202 12.9202 14.6761 14.6761 15.1718 15.1718 15.2480 15.2480 k = 0.5492 0.1465 0.2845 ( 2238 PWs) bands (ev): -36.4161 -36.4161 -15.4710 -15.4710 -14.9807 -14.9807 -14.9617 -14.9617 6.0426 6.0426 7.1498 7.1498 8.9285 8.9285 9.3339 9.3339 9.8858 9.8858 10.0293 10.0293 10.1786 10.1786 10.3457 10.3457 10.4235 10.4235 10.4933 10.4933 10.5393 10.5393 10.7080 10.7080 12.5523 12.5523 12.9076 12.9076 14.5942 14.5942 15.1528 15.1528 15.2495 15.2495 k = 0.5530 0.1356 0.2907 ( 2238 PWs) bands (ev): -36.4161 -36.4161 -15.4712 -15.4712 -14.9806 -14.9806 -14.9622 -14.9622 6.0597 6.0597 7.1832 7.1832 8.8870 8.8870 9.3507 9.3507 9.8676 9.8676 10.0208 10.0208 10.1851 10.1851 10.3587 10.3587 10.4293 10.4293 10.4963 10.4963 10.5456 10.5456 10.7211 10.7211 12.4983 12.4983 12.8941 12.8941 14.5112 14.5112 15.1342 15.1342 15.2523 15.2523 k = 0.5568 0.1247 0.2969 ( 2232 PWs) bands (ev): -36.4160 -36.4160 -15.4713 -15.4713 -14.9805 -14.9805 -14.9626 -14.9626 6.0779 6.0779 7.2185 7.2185 8.8436 8.8436 9.3685 9.3685 9.8494 9.8494 10.0126 10.0126 10.1919 10.1919 10.3710 10.3710 10.4336 10.4336 10.4994 10.4994 10.5533 10.5533 10.7343 10.7343 12.4437 12.4437 12.8797 12.8797 14.4281 14.4281 15.1162 15.1162 15.2565 15.2565 k = 0.5606 0.1137 0.3031 ( 2233 PWs) bands (ev): -36.4160 -36.4160 -15.4714 -15.4714 -14.9804 -14.9804 -14.9631 -14.9631 6.0972 6.0972 7.2557 7.2557 8.7984 8.7984 9.3875 9.3875 9.8312 9.8312 10.0048 10.0048 10.1990 10.1990 10.3821 10.3821 10.4369 10.4369 10.5028 10.5028 10.5620 10.5620 10.7476 10.7476 12.3889 12.3889 12.8643 12.8643 14.3454 14.3454 15.0990 15.0990 15.2619 15.2619 k = 0.5644 0.1028 0.3093 ( 2231 PWs) bands (ev): -36.4160 -36.4160 -15.4716 -15.4716 -14.9803 -14.9803 -14.9635 -14.9635 6.1173 6.1173 7.2944 7.2944 8.7516 8.7516 9.4074 9.4074 9.8131 9.8131 9.9973 9.9973 10.2062 10.2062 10.3914 10.3914 10.4400 10.4400 10.5071 10.5071 10.5714 10.5714 10.7608 10.7608 12.3342 12.3342 12.8480 12.8480 14.2638 14.2638 15.0830 15.0830 15.2686 15.2686 k = 0.5682 0.0919 0.3155 ( 2233 PWs) bands (ev): -36.4159 -36.4159 -15.4717 -15.4717 -14.9802 -14.9802 -14.9640 -14.9640 6.1383 6.1383 7.3346 7.3346 8.7033 8.7033 9.4283 9.4283 9.7950 9.7950 9.9901 9.9901 10.2134 10.2134 10.3984 10.3984 10.4434 10.4434 10.5126 10.5126 10.5810 10.5810 10.7737 10.7737 12.2802 12.2802 12.8307 12.8307 14.1839 14.1839 15.0682 15.0682 15.2765 15.2765 k = 0.5720 0.0809 0.3217 ( 2235 PWs) bands (ev): -36.4159 -36.4159 -15.4719 -15.4719 -14.9801 -14.9801 -14.9645 -14.9645 6.1602 6.1602 7.3760 7.3760 8.6540 8.6540 9.4500 9.4500 9.7772 9.7772 9.9831 9.9831 10.2206 10.2206 10.4025 10.4025 10.4476 10.4476 10.5197 10.5197 10.5907 10.5907 10.7862 10.7862 12.2271 12.2271 12.8126 12.8126 14.1061 14.1061 15.0549 15.0549 15.2855 15.2855 k = 0.5758 0.0700 0.3278 ( 2240 PWs) bands (ev): -36.4159 -36.4159 -15.4721 -15.4721 -14.9801 -14.9801 -14.9650 -14.9650 6.1826 6.1826 7.4184 7.4184 8.6037 8.6037 9.4725 9.4725 9.7596 9.7596 9.9765 9.9765 10.2275 10.2275 10.4038 10.4038 10.4523 10.4523 10.5285 10.5285 10.6004 10.6004 10.7980 10.7980 12.1754 12.1754 12.7937 12.7937 14.0308 14.0308 15.0433 15.0433 15.2956 15.2956 k = 0.5795 0.0590 0.3340 ( 2240 PWs) bands (ev): -36.4158 -36.4158 -15.4722 -15.4722 -14.9800 -14.9800 -14.9654 -14.9654 6.2057 6.2057 7.4615 7.4615 8.5529 8.5529 9.4957 9.4957 9.7424 9.7424 9.9702 9.9702 10.2341 10.2341 10.4031 10.4031 10.4572 10.4572 10.5390 10.5390 10.6101 10.6101 10.8091 10.8091 12.1255 12.1255 12.7740 12.7740 13.9584 13.9584 15.0335 15.0335 15.3068 15.3068 k = 0.5833 0.0481 0.3402 ( 2234 PWs) bands (ev): -36.4158 -36.4158 -15.4723 -15.4723 -14.9800 -14.9800 -14.9658 -14.9658 6.2291 6.2291 7.5049 7.5049 8.5019 8.5019 9.5196 9.5196 9.7256 9.7256 9.9641 9.9641 10.2404 10.2404 10.4008 10.4008 10.4617 10.4617 10.5511 10.5511 10.6198 10.6198 10.8193 10.8193 12.0778 12.0778 12.7536 12.7536 13.8891 13.8891 15.0256 15.0256 15.3188 15.3188 k = 0.5871 0.0372 0.3464 ( 2239 PWs) bands (ev): -36.4158 -36.4158 -15.4725 -15.4725 -14.9799 -14.9799 -14.9662 -14.9662 6.2527 6.2527 7.5483 7.5483 8.4511 8.4511 9.5440 9.5440 9.7094 9.7094 9.9581 9.9581 10.2463 10.2463 10.3974 10.3974 10.4654 10.4654 10.5644 10.5644 10.6296 10.6296 10.8284 10.8284 12.0327 12.0327 12.7324 12.7324 13.8230 13.8230 15.0197 15.0197 15.3316 15.3316 k = 0.5909 0.0262 0.3526 ( 2239 PWs) bands (ev): -36.4157 -36.4157 -15.4726 -15.4726 -14.9799 -14.9799 -14.9666 -14.9666 6.2763 6.2763 7.5909 7.5909 8.4012 8.4012 9.5687 9.5687 9.6938 9.6938 9.9524 9.9524 10.2517 10.2517 10.3933 10.3933 10.4682 10.4682 10.5786 10.5786 10.6398 10.6398 10.8364 10.8364 11.9909 11.9909 12.7104 12.7104 13.7603 13.7603 15.0160 15.0160 15.3451 15.3451 k = 0.5947 0.0153 0.3588 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4728 -15.4728 -14.9799 -14.9799 -14.9669 -14.9669 6.2997 6.2997 7.6321 7.6321 8.3530 8.3530 9.5938 9.5938 9.6791 9.6791 9.9470 9.9470 10.2566 10.2566 10.3889 10.3889 10.4698 10.4698 10.5935 10.5935 10.6505 10.6505 10.8431 10.8431 11.9526 11.9526 12.6879 12.6879 13.7011 13.7011 15.0145 15.0145 15.3590 15.3590 k = 0.5985 0.0044 0.3649 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4729 -15.4729 -14.9799 -14.9799 -14.9672 -14.9672 6.3226 6.3226 7.6708 7.6708 8.3075 8.3075 9.6186 9.6186 9.6657 9.6657 9.9418 9.9418 10.2610 10.2610 10.3843 10.3843 10.4701 10.4701 10.6087 10.6087 10.6618 10.6618 10.8484 10.8484 11.9181 11.9181 12.6647 12.6647 13.6454 13.6454 15.0152 15.0152 15.3730 15.3730 k = 0.6023-0.0066 0.3711 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4730 -15.4730 -14.9799 -14.9799 -14.9675 -14.9675 6.3446 6.3446 7.7054 7.7054 8.2665 8.2665 9.6395 9.6395 9.6573 9.6573 9.9367 9.9367 10.2647 10.2647 10.3798 10.3798 10.4689 10.4689 10.6242 10.6242 10.6740 10.6740 10.8525 10.8525 11.8880 11.8880 12.6409 12.6409 13.5931 13.5931 15.0182 15.0182 15.3866 15.3866 k = 0.6061-0.0175 0.3773 ( 2234 PWs) bands (ev): -36.4156 -36.4156 -15.4731 -15.4731 -14.9800 -14.9800 -14.9677 -14.9677 6.3653 6.3653 7.7341 7.7341 8.2320 8.2320 9.6370 9.6370 9.6734 9.6734 9.9318 9.9318 10.2676 10.2676 10.3756 10.3756 10.4661 10.4661 10.6398 10.6398 10.6871 10.6871 10.8553 10.8553 11.8625 11.8625 12.6166 12.6166 13.5441 13.5441 15.0235 15.0235 15.3992 15.3992 k = 0.6098-0.0284 0.3835 ( 2236 PWs) bands (ev): -36.4156 -36.4156 -15.4732 -15.4732 -14.9800 -14.9800 -14.9679 -14.9679 6.3843 6.3843 7.7542 7.7542 8.2069 8.2069 9.6274 9.6274 9.6976 9.6976 9.9272 9.9272 10.2696 10.2696 10.3719 10.3719 10.4618 10.4618 10.6554 10.6554 10.7009 10.7009 10.8572 10.8572 11.8417 11.8417 12.5918 12.5918 13.4984 13.4984 15.0311 15.0311 15.4096 15.4096 k = 0.6136-0.0394 0.3897 ( 2238 PWs) bands (ev): -36.4156 -36.4156 -15.4733 -15.4733 -14.9801 -14.9801 -14.9680 -14.9680 6.4010 6.4010 7.7636 7.7636 8.1937 8.1937 9.6186 9.6186 9.7219 9.7219 9.9228 9.9228 10.2705 10.2705 10.3688 10.3688 10.4560 10.4560 10.6710 10.6710 10.7154 10.7154 10.8584 10.8584 11.8257 11.8257 12.5665 12.5665 13.4558 13.4558 15.0409 15.0409 15.4166 15.4166 k = 0.6174-0.0503 0.3959 ( 2242 PWs) bands (ev): -36.4156 -36.4156 -15.4734 -15.4734 -14.9802 -14.9802 -14.9681 -14.9681 6.4147 6.4147 7.7613 7.7613 8.1936 8.1936 9.6111 9.6111 9.7456 9.7456 9.9189 9.9189 10.2703 10.2703 10.3663 10.3663 10.4491 10.4491 10.6867 10.6867 10.7302 10.7302 10.8596 10.8596 11.8145 11.8145 12.5408 12.5408 13.4160 13.4160 15.0527 15.0527 15.4036 15.4036 k = 0.6212-0.0612 0.4021 ( 2242 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9803 -14.9803 -14.9682 -14.9682 6.4247 6.4247 7.7489 7.7489 8.2058 8.2058 9.6053 9.6053 9.7681 9.7681 9.9157 9.9157 10.2689 10.2689 10.3641 10.3641 10.4416 10.4416 10.7023 10.7023 10.7447 10.7447 10.8612 10.8612 11.8082 11.8082 12.5147 12.5147 13.3789 13.3789 15.0664 15.0664 15.3534 15.3534 k = 0.6250-0.0722 0.4082 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4304 6.4304 7.7295 7.7295 8.2277 8.2277 9.6013 9.6013 9.7887 9.7887 9.9135 9.9135 10.2663 10.2663 10.3618 10.3618 10.4343 10.4343 10.7180 10.7180 10.7585 10.7585 10.8644 10.8644 11.8064 11.8064 12.4882 12.4882 13.3443 13.3443 15.0814 15.0814 15.3045 15.3045 k = 0.6250-0.0722 0.4082 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4304 6.4304 7.7295 7.7295 8.2277 8.2277 9.6013 9.6013 9.7887 9.7887 9.9135 9.9135 10.2663 10.2663 10.3618 10.3618 10.4343 10.4343 10.7180 10.7180 10.7585 10.7585 10.8644 10.8644 11.8064 11.8064 12.4882 12.4882 13.3443 13.3443 15.0814 15.0814 15.3045 15.3046 k = 0.6184-0.0684 0.4190 ( 2237 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4308 6.4308 7.7303 7.7303 8.2274 8.2274 9.6012 9.6012 9.7893 9.7893 9.9140 9.9140 10.2659 10.2659 10.3615 10.3615 10.4340 10.4340 10.7149 10.7149 10.7587 10.7587 10.8674 10.8674 11.8064 11.8064 12.4795 12.4795 13.3536 13.3536 15.0784 15.0784 15.3006 15.3006 k = 0.6118-0.0646 0.4297 ( 2241 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9803 -14.9803 -14.9682 -14.9682 6.4323 6.4323 7.7325 7.7325 8.2263 8.2263 9.6010 9.6010 9.7910 9.7910 9.9154 9.9154 10.2644 10.2644 10.3606 10.3606 10.4330 10.4330 10.7063 10.7063 10.7590 10.7590 10.8759 10.8759 11.8063 11.8063 12.4543 12.4543 13.3802 13.3802 15.0696 15.0696 15.2891 15.2891 k = 0.6053-0.0608 0.4405 ( 2241 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9803 -14.9803 -14.9683 -14.9683 6.4346 6.4346 7.7362 7.7362 8.2246 8.2246 9.6006 9.6006 9.7938 9.7938 9.9177 9.9177 10.2618 10.2618 10.3591 10.3591 10.4316 10.4316 10.6941 10.6941 10.7589 10.7589 10.8884 10.8884 11.8063 11.8063 12.4159 12.4159 13.4212 13.4212 15.0554 15.0554 15.2715 15.2715 k = 0.5987-0.0570 0.4512 ( 2238 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9802 -14.9802 -14.9684 -14.9684 6.4379 6.4379 7.7414 7.7414 8.2219 8.2219 9.6000 9.6000 9.7977 9.7977 9.9208 9.9208 10.2579 10.2579 10.3573 10.3573 10.4301 10.4301 10.6797 10.6797 10.7584 10.7584 10.9036 10.9036 11.8061 11.8061 12.3678 12.3678 13.4730 13.4730 15.0363 15.0363 15.2495 15.2495 k = 0.5921-0.0532 0.4620 ( 2238 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9802 -14.9802 -14.9685 -14.9685 6.4421 6.4421 7.7481 7.7481 8.2184 8.2184 9.5993 9.5993 9.8027 9.8027 9.9249 9.9249 10.2523 10.2523 10.3553 10.3553 10.4286 10.4286 10.6638 10.6638 10.7573 10.7573 10.9203 10.9203 11.8059 11.8059 12.3137 12.3137 13.5325 13.5325 15.0129 15.0129 15.2248 15.2248 k = 0.5855-0.0494 0.4727 ( 2235 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9801 -14.9801 -14.9686 -14.9686 6.4470 6.4470 7.7562 7.7562 8.2138 8.2138 9.5984 9.5984 9.8088 9.8088 9.9298 9.9298 10.2447 10.2447 10.3535 10.3535 10.4274 10.4274 10.6470 10.6470 10.7559 10.7559 10.9376 10.9376 11.8057 11.8057 12.2563 12.2563 13.5972 13.5972 14.9858 14.9858 15.1987 15.1987 k = 0.5789-0.0456 0.4835 ( 2235 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9800 -14.9800 -14.9688 -14.9688 6.4527 6.4527 7.7659 7.7659 8.2081 8.2081 9.5973 9.5973 9.8159 9.8159 9.9354 9.9354 10.2350 10.2350 10.3523 10.3523 10.4267 10.4267 10.6295 10.6295 10.7541 10.7541 10.9550 10.9550 11.8053 11.8053 12.1978 12.1978 13.6651 13.6651 14.9554 14.9554 15.1722 15.1722 k = 0.5724-0.0418 0.4942 ( 2235 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9799 -14.9799 -14.9689 -14.9689 6.4591 6.4591 7.7770 7.7770 8.2010 8.2010 9.5961 9.5961 9.8239 9.8239 9.9418 9.9418 10.2232 10.2232 10.3519 10.3519 10.4264 10.4264 10.6116 10.6116 10.7519 10.7519 10.9720 10.9720 11.8049 11.8049 12.1401 12.1401 13.7348 13.7348 14.9222 14.9222 15.1462 15.1462 k = 0.5658-0.0380 0.5049 ( 2235 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9797 -14.9797 -14.9691 -14.9691 6.4660 6.4660 7.7897 7.7897 8.1925 8.1925 9.5948 9.5948 9.8328 9.8328 9.9488 9.9488 10.2094 10.2094 10.3526 10.3526 10.4265 10.4265 10.5934 10.5934 10.7495 10.7495 10.9881 10.9881 11.8044 11.8044 12.0845 12.0845 13.8053 13.8053 14.8865 14.8865 15.1212 15.1212 k = 0.5592-0.0342 0.5157 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9796 -14.9796 -14.9693 -14.9693 6.4733 6.4733 7.8038 7.8038 8.1822 8.1822 9.5933 9.5933 9.8426 9.8426 9.9565 9.9565 10.1939 10.1939 10.3543 10.3543 10.4268 10.4268 10.5752 10.5752 10.7469 10.7469 11.0031 11.0031 11.8037 11.8037 12.0325 12.0325 13.8759 13.8759 14.8486 14.8486 15.0979 15.0979 k = 0.5526-0.0304 0.5264 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9795 -14.9795 -14.9695 -14.9695 6.4809 6.4809 7.8194 7.8194 8.1702 8.1702 9.5917 9.5917 9.8529 9.8529 9.9647 9.9647 10.1771 10.1771 10.3570 10.3570 10.4272 10.4272 10.5570 10.5570 10.7440 10.7440 11.0165 11.0165 11.8029 11.8029 11.9848 11.9848 13.9459 13.9459 14.8087 14.8087 15.0765 15.0765 k = 0.5461-0.0266 0.5372 ( 2225 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9793 -14.9793 -14.9697 -14.9697 6.4886 6.4886 7.8365 7.8365 8.1561 8.1561 9.5900 9.5900 9.8637 9.8637 9.9733 9.9733 10.1593 10.1593 10.3606 10.3606 10.4275 10.4275 10.5393 10.5393 10.7411 10.7411 11.0282 11.0282 11.8017 11.8017 11.9424 11.9424 14.0148 14.0148 14.7670 14.7670 15.0573 15.0573 k = 0.5395-0.0228 0.5479 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9792 -14.9792 -14.9699 -14.9699 6.4963 6.4963 7.8551 7.8551 8.1400 8.1400 9.5883 9.5883 9.8748 9.8748 9.9824 9.9824 10.1409 10.1409 10.3650 10.3650 10.4274 10.4274 10.5225 10.5225 10.7382 10.7382 11.0380 11.0380 11.8000 11.8000 11.9060 11.9060 14.0822 14.0822 14.7237 14.7237 15.0406 15.0406 k = 0.5329-0.0190 0.5587 ( 2227 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9791 -14.9791 -14.9701 -14.9701 6.5036 6.5036 7.8751 7.8751 8.1217 8.1217 9.5867 9.5867 9.8858 9.8858 9.9918 9.9918 10.1224 10.1224 10.3702 10.3702 10.4265 10.4265 10.5073 10.5073 10.7353 10.7353 11.0456 11.0456 11.7977 11.7977 11.8764 11.8764 14.1477 14.1477 14.6790 14.6790 15.0265 15.0265 k = 0.5263-0.0152 0.5694 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9790 -14.9790 -14.9702 -14.9702 6.5104 6.5104 7.8966 7.8966 8.1013 8.1013 9.5851 9.5851 9.8964 9.8964 10.0014 10.0014 10.1040 10.1040 10.3760 10.3760 10.4243 10.4243 10.4945 10.4945 10.7325 10.7325 11.0513 11.0513 11.7943 11.7943 11.8541 11.8541 14.2110 14.2110 14.6329 14.6329 15.0151 15.0151 k = 0.5197-0.0114 0.5801 ( 2228 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9704 -14.9704 6.5164 6.5164 7.9195 7.9195 8.0789 8.0789 9.5837 9.5837 9.9060 9.9060 10.0114 10.0114 10.0862 10.0862 10.3823 10.3823 10.4204 10.4204 10.4848 10.4848 10.7301 10.7301 11.0550 11.0550 11.7899 11.7899 11.8390 11.8390 14.2719 14.2719 14.5857 14.5857 15.0065 15.0065 k = 0.5132-0.0076 0.5909 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9705 -14.9705 6.5211 6.5211 7.9436 7.9436 8.0547 8.0547 9.5826 9.5826 9.9140 9.9140 10.0215 10.0215 10.0696 10.0696 10.3888 10.3888 10.4151 10.4151 10.4783 10.4783 10.7282 10.7282 11.0572 11.0572 11.7854 11.7854 11.8301 11.8301 14.3301 14.3301 14.5373 14.5373 15.0006 15.0006 k = 0.5066-0.0038 0.6016 ( 2237 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9705 -14.9705 6.5242 6.5242 7.9682 7.9682 8.0298 8.0298 9.5818 9.5818 9.9194 9.9194 10.0318 10.0318 10.0548 10.0548 10.3950 10.3950 10.4091 10.4091 10.4748 10.4748 10.7269 10.7269 11.0581 11.0581 11.7820 11.7820 11.8256 11.8256 14.3854 14.3854 14.4880 14.4880 14.9972 14.9972 k = 0.5000 0.0000 0.6124 ( 2244 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9706 -14.9706 6.5253 6.5253 7.9854 7.9854 8.0124 8.0124 9.5816 9.5816 9.9215 9.9215 10.0410 10.0410 10.0438 10.0438 10.3986 10.3986 10.4054 10.4054 10.4737 10.4737 10.7264 10.7264 11.0583 11.0583 11.7809 11.7809 11.8242 11.8242 14.4365 14.4365 14.4387 14.4387 14.9961 14.9961 k = 0.5000 0.0000 0.6124 ( 2244 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9789 -14.9789 -14.9706 -14.9706 6.5253 6.5253 7.9854 7.9854 8.0124 8.0124 9.5816 9.5816 9.9215 9.9215 10.0410 10.0410 10.0438 10.0438 10.3986 10.3986 10.4054 10.4054 10.4737 10.4737 10.7264 10.7264 11.0583 11.0583 11.7809 11.7809 11.8242 11.8242 14.4365 14.4365 14.4387 14.4387 14.9961 14.9961 k = 0.5000 0.0076 0.6016 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9788 -14.9788 -14.9705 -14.9705 6.5236 6.5236 7.9853 7.9853 8.0127 8.0127 9.5822 9.5822 9.9164 9.9164 10.0411 10.0411 10.0465 10.0465 10.3974 10.3974 10.4080 10.4080 10.4748 10.4748 10.7260 10.7260 11.0567 11.0567 11.7831 11.7831 11.8269 11.8269 14.4350 14.4350 14.4393 14.4393 14.9996 14.9996 k = 0.5000 0.0152 0.5909 ( 2230 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9788 -14.9788 -14.9705 -14.9705 6.5185 6.5185 7.9820 7.9820 8.0161 8.0161 9.5843 9.5843 9.9025 9.9025 10.0413 10.0413 10.0532 10.0532 10.3958 10.3958 10.4135 10.4135 10.4780 10.4780 10.7247 10.7247 11.0520 11.0520 11.7898 11.7898 11.8348 11.8348 14.4284 14.4284 14.4428 14.4428 15.0095 15.0095 k = 0.5000 0.0228 0.5801 ( 2230 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9789 -14.9789 -14.9704 -14.9704 6.5100 6.5100 7.9720 7.9720 8.0264 8.0264 9.5876 9.5876 9.8824 9.8824 10.0416 10.0416 10.0615 10.0615 10.3946 10.3946 10.4199 10.4199 10.4837 10.4837 10.7224 10.7224 11.0444 11.0444 11.8007 11.8007 11.8479 11.8479 14.4179 14.4179 14.4490 14.4490 15.0253 15.0253 k = 0.5000 0.0304 0.5694 ( 2228 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9789 -14.9789 -14.9702 -14.9702 6.4984 6.4984 7.9555 7.9555 8.0433 8.0433 9.5922 9.5922 9.8585 9.8585 10.0420 10.0420 10.0702 10.0702 10.3939 10.3939 10.4261 10.4261 10.4921 10.4921 10.7191 10.7191 11.0342 11.0342 11.8156 11.8156 11.8664 11.8664 14.4045 14.4045 14.4577 14.4577 15.0456 15.0456 k = 0.5000 0.0380 0.5587 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9789 -14.9789 -14.9701 -14.9701 6.4840 6.4840 7.9337 7.9337 8.0655 8.0655 9.5980 9.5980 9.8320 9.8320 10.0426 10.0426 10.0783 10.0783 10.3935 10.3935 10.4316 10.4316 10.5031 10.5031 10.7148 10.7148 11.0217 11.0217 11.8338 11.8338 11.8904 11.8904 14.3893 14.3893 14.4687 14.4687 15.0692 15.0692 k = 0.5000 0.0456 0.5479 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4736 -15.4736 -14.9790 -14.9790 -14.9698 -14.9698 6.4672 6.4672 7.9074 7.9074 8.0924 8.0924 9.6050 9.6050 9.8042 9.8042 10.0432 10.0432 10.0856 10.0856 10.3934 10.3934 10.4361 10.4361 10.5159 10.5159 10.7095 10.7095 11.0074 11.0074 11.8552 11.8552 11.9200 11.9200 14.3732 14.3732 14.4821 14.4821 15.0947 15.0947 k = 0.5000 0.0532 0.5372 ( 2232 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9790 -14.9790 -14.9696 -14.9696 6.4482 6.4482 7.8772 7.8772 8.1233 8.1233 9.6129 9.6129 9.7755 9.7755 10.0439 10.0439 10.0921 10.0921 10.3933 10.3933 10.4397 10.4397 10.5294 10.5294 10.7031 10.7031 10.9917 10.9917 11.8791 11.8791 11.9552 11.9552 14.3572 14.3572 14.4977 14.4977 15.1209 15.1209 k = 0.5000 0.0608 0.5264 ( 2230 PWs) bands (ev): -36.4156 -36.4156 -15.4734 -15.4734 -14.9791 -14.9791 -14.9693 -14.9693 6.4274 6.4274 7.8436 7.8436 8.1578 8.1578 9.6218 9.6218 9.7465 9.7465 10.0447 10.0447 10.0979 10.0979 10.3935 10.3935 10.4428 10.4428 10.5426 10.5426 10.6956 10.6956 10.9750 10.9750 11.9053 11.9053 11.9959 11.9959 14.3419 14.3419 14.5156 14.5156 15.1465 15.1465 k = 0.5000 0.0684 0.5157 ( 2236 PWs) bands (ev): -36.4156 -36.4156 -15.4733 -15.4733 -14.9792 -14.9792 -14.9690 -14.9690 6.4052 6.4052 7.8071 7.8071 8.1954 8.1954 9.6315 9.6315 9.7176 9.7176 10.0455 10.0455 10.1031 10.1031 10.3937 10.3937 10.4454 10.4454 10.5546 10.5546 10.6869 10.6869 10.9576 10.9576 11.9333 11.9333 12.0416 12.0416 14.3282 14.3282 14.5354 14.5354 15.1704 15.1704 k = 0.5000 0.0760 0.5049 ( 2234 PWs) bands (ev): -36.4156 -36.4156 -15.4732 -15.4732 -14.9792 -14.9792 -14.9687 -14.9687 6.3819 6.3819 7.7682 7.7682 8.2357 8.2357 9.6415 9.6415 9.6895 9.6895 10.0463 10.0463 10.1077 10.1077 10.3940 10.3940 10.4478 10.4478 10.5650 10.5650 10.6772 10.6772 10.9400 10.9400 11.9631 11.9631 12.0919 12.0919 14.3166 14.3166 14.5572 14.5572 15.1921 15.1922 k = 0.5000 0.0836 0.4942 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4731 -15.4731 -14.9793 -14.9793 -14.9683 -14.9683 6.3578 6.3578 7.7274 7.7274 8.2783 8.2783 9.6475 9.6475 9.6664 9.6664 10.0472 10.0472 10.1119 10.1119 10.3944 10.3944 10.4501 10.4501 10.5731 10.5731 10.6664 10.6664 10.9223 10.9223 11.9947 11.9947 12.1461 12.1461 14.3077 14.3077 14.5808 14.5808 15.2111 15.2111 k = 0.5000 0.0912 0.4835 ( 2238 PWs) bands (ev): -36.4157 -36.4157 -15.4729 -15.4729 -14.9794 -14.9794 -14.9679 -14.9679 6.3330 6.3330 7.6851 7.6851 8.3227 8.3227 9.6285 9.6285 9.6696 9.6696 10.0480 10.0480 10.1157 10.1157 10.3948 10.3948 10.4523 10.4523 10.5787 10.5787 10.6548 10.6548 10.9048 10.9048 12.0277 12.0277 12.2035 12.2035 14.3020 14.3020 14.6060 14.6060 15.2273 15.2273 k = 0.5000 0.0988 0.4727 ( 2238 PWs) bands (ev): -36.4157 -36.4157 -15.4728 -15.4728 -14.9795 -14.9795 -14.9675 -14.9675 6.3081 6.3081 7.6416 7.6416 8.3687 8.3687 9.6019 9.6019 9.6816 9.6816 10.0488 10.0488 10.1192 10.1192 10.3952 10.3952 10.4544 10.4544 10.5814 10.5814 10.6428 10.6428 10.8877 10.8877 12.0624 12.0624 12.2632 12.2632 14.3000 14.3000 14.6328 14.6328 15.2409 15.2409 k = 0.5000 0.1064 0.4620 ( 2238 PWs) bands (ev): -36.4157 -36.4157 -15.4727 -15.4727 -14.9796 -14.9796 -14.9670 -14.9670 6.2830 6.2830 7.5975 7.5975 8.4158 8.4158 9.5753 9.5753 9.6950 9.6950 10.0497 10.0497 10.1223 10.1223 10.3955 10.3955 10.4563 10.4563 10.5809 10.5809 10.6308 10.6308 10.8710 10.8710 12.0985 12.0985 12.3244 12.3244 14.3022 14.3022 14.6610 14.6610 15.2520 15.2520 k = 0.5000 0.1140 0.4512 ( 2238 PWs) bands (ev): -36.4158 -36.4158 -15.4725 -15.4725 -14.9797 -14.9797 -14.9666 -14.9666 6.2580 6.2580 7.5531 7.5531 8.4638 8.4638 9.5491 9.5491 9.7092 9.7092 10.0505 10.0505 10.1251 10.1251 10.3957 10.3957 10.4582 10.4582 10.5769 10.5769 10.6198 10.6198 10.8547 10.8547 12.1361 12.1361 12.3861 12.3861 14.3092 14.3092 14.6905 14.6905 15.2612 15.2612 k = 0.5000 0.1215 0.4405 ( 2234 PWs) bands (ev): -36.4158 -36.4158 -15.4724 -15.4724 -14.9797 -14.9797 -14.9661 -14.9661 6.2334 6.2334 7.5086 7.5086 8.5124 8.5124 9.5236 9.5236 9.7241 9.7241 10.0513 10.0513 10.1277 10.1277 10.3955 10.3955 10.4598 10.4598 10.5692 10.5692 10.6101 10.6101 10.8388 10.8388 12.1751 12.1751 12.4474 12.4474 14.3213 14.3213 14.7210 14.7210 15.2688 15.2688 k = 0.5000 0.1291 0.4297 ( 2228 PWs) bands (ev): -36.4158 -36.4158 -15.4722 -15.4722 -14.9798 -14.9798 -14.9656 -14.9656 6.2091 6.2091 7.4645 7.4645 8.5612 8.5612 9.4989 9.4989 9.7396 9.7396 10.0522 10.0522 10.1301 10.1301 10.3949 10.3949 10.4611 10.4611 10.5587 10.5587 10.6015 10.6015 10.8233 10.8233 12.2154 12.2154 12.5074 12.5074 14.3390 14.3390 14.7524 14.7524 15.2750 15.2750 k = 0.5000 0.1367 0.4190 ( 2230 PWs) bands (ev): -36.4159 -36.4159 -15.4720 -15.4720 -14.9799 -14.9799 -14.9651 -14.9651 6.1854 6.1854 7.4209 7.4209 8.6099 8.6099 9.4750 9.4750 9.7555 9.7555 10.0530 10.0530 10.1321 10.1321 10.3936 10.3936 10.4619 10.4619 10.5468 10.5468 10.5933 10.5933 10.8081 10.8081 12.2571 12.2571 12.5651 12.5651 14.3626 14.3626 14.7845 14.7845 15.2800 15.2800 k = 0.5000 0.1443 0.4082 ( 2226 PWs) bands (ev): -36.4159 -36.4159 -15.4719 -15.4719 -14.9800 -14.9800 -14.9646 -14.9646 6.1624 6.1624 7.3782 7.3782 8.6584 8.6584 9.4520 9.4520 9.7721 9.7721 10.0540 10.0540 10.1340 10.1340 10.3914 10.3914 10.4619 10.4619 10.5347 10.5347 10.5850 10.5850 10.7932 10.7932 12.3000 12.3000 12.6199 12.6199 14.3922 14.3922 14.8173 14.8173 15.2842 15.2842 k = 0.5000 0.1519 0.3975 ( 2232 PWs) bands (ev): -36.4159 -36.4159 -15.4717 -15.4717 -14.9801 -14.9801 -14.9641 -14.9641 6.1402 6.1402 7.3365 7.3365 8.7062 8.7062 9.4298 9.4298 9.7890 9.7890 10.0550 10.0550 10.1356 10.1356 10.3879 10.3879 10.4610 10.4610 10.5236 10.5236 10.5764 10.5764 10.7785 10.7785 12.3441 12.3441 12.6710 12.6710 14.4279 14.4279 14.8504 14.8504 15.2877 15.2877 k = 0.5000 0.1595 0.3868 ( 2232 PWs) bands (ev): -36.4160 -36.4160 -15.4716 -15.4716 -14.9802 -14.9802 -14.9636 -14.9636 6.1188 6.1188 7.2962 7.2962 8.7532 8.7532 9.4086 9.4086 9.8064 9.8064 10.0562 10.0562 10.1371 10.1371 10.3828 10.3828 10.4587 10.4587 10.5142 10.5142 10.5675 10.5675 10.7640 10.7640 12.3893 12.3893 12.7180 12.7180 14.4697 14.4697 14.8838 14.8838 15.2905 15.2905 k = 0.5000 0.1671 0.3760 ( 2236 PWs) bands (ev): -36.4160 -36.4160 -15.4715 -15.4715 -14.9804 -14.9804 -14.9631 -14.9631 6.0984 6.0984 7.2573 7.2573 8.7992 8.7992 9.3884 9.3884 9.8242 9.8242 10.0577 10.0577 10.1384 10.1384 10.3759 10.3759 10.4549 10.4549 10.5069 10.5069 10.5588 10.5588 10.7497 10.7497 12.4353 12.4353 12.7606 12.7606 14.5171 14.5171 14.9173 14.9173 15.2929 15.2929 k = 0.5000 0.1747 0.3653 ( 2236 PWs) bands (ev): -36.4160 -36.4160 -15.4713 -15.4713 -14.9805 -14.9805 -14.9626 -14.9626 6.0790 6.0790 7.2200 7.2200 8.8438 8.8438 9.3693 9.3693 9.8423 9.8423 10.0595 10.0595 10.1395 10.1395 10.3672 10.3672 10.4496 10.4496 10.5014 10.5014 10.5505 10.5505 10.7357 10.7357 12.4821 12.4821 12.7987 12.7987 14.5697 14.5697 14.9507 14.9507 15.2949 15.2949 k = 0.5000 0.1823 0.3545 ( 2232 PWs) bands (ev): -36.4161 -36.4161 -15.4712 -15.4712 -14.9805 -14.9805 -14.9622 -14.9622 6.0606 6.0606 7.1845 7.1845 8.8869 8.8869 9.3513 9.3513 9.8607 9.8607 10.0616 10.0616 10.1406 10.1406 10.3569 10.3569 10.4428 10.4428 10.4971 10.4971 10.5433 10.5433 10.7220 10.7220 12.5293 12.5293 12.8323 12.8323 14.6267 14.6267 14.9840 14.9840 15.2966 15.2966 k = 0.5000 0.1899 0.3438 ( 2232 PWs) bands (ev): -36.4161 -36.4161 -15.4710 -15.4710 -14.9806 -14.9806 -14.9617 -14.9617 6.0433 6.0433 7.1509 7.1509 8.9280 8.9280 9.3344 9.3344 9.8793 9.8793 10.0642 10.0642 10.1415 10.1415 10.3452 10.3452 10.4344 10.4344 10.4935 10.4935 10.5376 10.5376 10.7087 10.7087 12.5767 12.5767 12.8615 12.8615 14.6872 14.6872 15.0170 15.0170 15.2981 15.2981 k = 0.5000 0.1975 0.3330 ( 2228 PWs) bands (ev): -36.4161 -36.4161 -15.4709 -15.4709 -14.9807 -14.9807 -14.9613 -14.9613 6.0272 6.0272 7.1194 7.1194 8.9671 8.9671 9.3189 9.3189 9.8979 9.8979 10.0675 10.0675 10.1424 10.1424 10.3327 10.3327 10.4243 10.4243 10.4902 10.4902 10.5335 10.5335 10.6959 10.6959 12.6238 12.6238 12.8867 12.8867 14.7502 14.7502 15.0495 15.0495 15.2994 15.2994 k = 0.5000 0.2051 0.3223 ( 2230 PWs) bands (ev): -36.4161 -36.4161 -15.4708 -15.4708 -14.9808 -14.9808 -14.9609 -14.9609 6.0123 6.0123 7.0900 7.0900 9.0038 9.0038 9.3046 9.3046 9.9166 9.9166 10.0714 10.0714 10.1433 10.1433 10.3195 10.3195 10.4124 10.4124 10.4870 10.4870 10.5309 10.5309 10.6836 10.6836 12.6705 12.6705 12.9082 12.9082 14.8143 14.8143 15.0815 15.0815 15.3005 15.3005 k = 0.5000 0.2127 0.3116 ( 2228 PWs) bands (ev): -36.4162 -36.4162 -15.4706 -15.4706 -14.9809 -14.9809 -14.9605 -14.9605 5.9985 5.9985 7.0629 7.0629 9.0378 9.0378 9.2917 9.2917 9.9351 9.9351 10.0762 10.0762 10.1441 10.1441 10.3062 10.3062 10.3987 10.3987 10.4840 10.4840 10.5295 10.5295 10.6721 10.6721 12.7162 12.7162 12.9264 12.9264 14.8785 14.8785 15.1128 15.1128 15.3015 15.3015 k = 0.5000 0.2203 0.3008 ( 2228 PWs) bands (ev): -36.4162 -36.4162 -15.4705 -15.4705 -14.9809 -14.9809 -14.9601 -14.9601 5.9860 5.9860 7.0381 7.0381 9.0689 9.0689 9.2803 9.2803 9.9532 9.9532 10.0820 10.0820 10.1450 10.1450 10.2929 10.2929 10.3835 10.3835 10.4813 10.4813 10.5290 10.5290 10.6615 10.6615 12.7602 12.7602 12.9417 12.9417 14.9413 14.9413 15.1432 15.1432 15.3025 15.3025 k = 0.5000 0.2279 0.2901 ( 2232 PWs) bands (ev): -36.4162 -36.4162 -15.4705 -15.4705 -14.9810 -14.9810 -14.9598 -14.9598 5.9748 5.9748 7.0158 7.0158 9.0967 9.0967 9.2706 9.2706 9.9707 9.9707 10.0890 10.0890 10.1459 10.1459 10.2798 10.2798 10.3670 10.3670 10.4786 10.4786 10.5290 10.5290 10.6519 10.6519 12.8021 12.8021 12.9544 12.9544 15.0015 15.0015 15.1727 15.1727 15.3036 15.3036 k = 0.5000 0.2355 0.2793 ( 2238 PWs) bands (ev): -36.4162 -36.4162 -15.4704 -15.4704 -14.9811 -14.9811 -14.9595 -14.9595 5.9649 5.9649 6.9959 6.9959 9.1208 9.1208 9.2629 9.2629 9.9873 9.9873 10.0971 10.0971 10.1469 10.1469 10.2670 10.2670 10.3496 10.3496 10.4760 10.4760 10.5293 10.5293 10.6433 10.6433 12.8411 12.8411 12.9651 12.9651 15.0577 15.0577 15.2010 15.2010 15.3047 15.3047 k = 0.5000 0.2431 0.2686 ( 2236 PWs) bands (ev): -36.4162 -36.4162 -15.4703 -15.4703 -14.9812 -14.9812 -14.9592 -14.9592 5.9562 5.9562 6.9785 6.9785 9.1410 9.1410 9.2573 9.2573 10.0027 10.0027 10.1066 10.1066 10.1481 10.1481 10.2549 10.2549 10.3315 10.3315 10.4735 10.4735 10.5298 10.5298 10.6359 10.6359 12.8765 12.8765 12.9740 12.9740 15.1088 15.1088 15.2278 15.2278 15.3061 15.3061 k = 0.5000 0.2507 0.2578 ( 2236 PWs) bands (ev): -36.4163 -36.4163 -15.4703 -15.4703 -14.9812 -14.9812 -14.9590 -14.9590 5.9489 5.9489 6.9638 6.9638 9.1567 9.1567 9.2541 9.2541 10.0166 10.0166 10.1174 10.1174 10.1497 10.1497 10.2436 10.2436 10.3130 10.3130 10.4712 10.4712 10.5304 10.5304 10.6297 10.6297 12.9074 12.9074 12.9816 12.9816 15.1533 15.1533 15.2527 15.2527 15.3079 15.3079 k = 0.5000 0.2583 0.2471 ( 2236 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9588 -14.9588 5.9428 5.9428 6.9516 6.9516 9.1680 9.1680 9.2532 9.2532 10.0284 10.0284 10.1288 10.1288 10.1520 10.1520 10.2336 10.2336 10.2944 10.2944 10.4691 10.4691 10.5309 10.5309 10.6247 10.6247 12.9330 12.9330 12.9883 12.9883 15.1902 15.1902 15.2751 15.2751 15.3103 15.3103 k = 0.5000 0.2659 0.2364 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9587 -14.9587 5.9382 5.9382 6.9422 6.9422 9.1751 9.1751 9.2543 9.2543 10.0381 10.0381 10.1395 10.1395 10.1559 10.1559 10.2253 10.2253 10.2760 10.2760 10.4672 10.4672 10.5315 10.5315 10.6209 10.6209 12.9523 12.9523 12.9947 12.9947 15.2185 15.2185 15.2941 15.2941 15.3134 15.3134 k = 0.5000 0.2735 0.2256 ( 2248 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9586 -14.9586 5.9348 5.9348 6.9354 6.9354 9.1791 9.1791 9.2562 9.2562 10.0452 10.0452 10.1465 10.1465 10.1627 10.1627 10.2199 10.2199 10.2584 10.2584 10.4658 10.4658 10.5318 10.5318 10.6182 10.6182 12.9649 12.9649 13.0006 13.0006 15.2377 15.2377 15.3088 15.3088 15.3171 15.3171 k = 0.5000 0.2811 0.2149 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9328 5.9328 6.9313 6.9313 9.1810 9.1810 9.2579 9.2579 10.0495 10.0495 10.1497 10.1497 10.1702 10.1702 10.2191 10.2191 10.2429 10.2429 10.4649 10.4649 10.5320 10.5320 10.6166 10.6166 12.9715 12.9715 13.0053 13.0053 15.2485 15.2485 15.3180 15.3180 15.3205 15.3205 k = 0.5000 0.2887 0.2041 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9321 5.9321 6.9300 6.9300 9.1816 9.1816 9.2585 9.2585 10.0510 10.0510 10.1507 10.1507 10.1733 10.1733 10.2215 10.2215 10.2346 10.2346 10.4645 10.4645 10.5321 10.5321 10.6161 10.6161 12.9735 12.9735 13.0071 13.0071 15.2519 15.2519 15.3207 15.3207 15.3223 15.3223 k = 0.5000 0.2887 0.2041 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9321 5.9321 6.9300 6.9300 9.1816 9.1816 9.2585 9.2585 10.0510 10.0510 10.1507 10.1507 10.1733 10.1733 10.2215 10.2215 10.2346 10.2346 10.4645 10.4645 10.5321 10.5321 10.6161 10.6161 12.9735 12.9735 13.0071 13.0071 15.2519 15.2519 15.3207 15.3207 15.3223 15.3223 k = 0.4962 0.2865 0.2165 ( 2252 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9585 -14.9585 5.9328 5.9328 6.9313 6.9313 9.1810 9.1810 9.2579 9.2579 10.0495 10.0495 10.1497 10.1497 10.1702 10.1702 10.2191 10.2191 10.2429 10.2429 10.4649 10.4649 10.5320 10.5320 10.6166 10.6166 12.9715 12.9715 13.0053 13.0053 15.2485 15.2485 15.3181 15.3181 15.3204 15.3204 k = 0.4924 0.2843 0.2289 ( 2248 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9814 -14.9814 -14.9586 -14.9586 5.9348 5.9348 6.9354 6.9354 9.1791 9.1791 9.2562 9.2562 10.0452 10.0452 10.1465 10.1465 10.1628 10.1628 10.2199 10.2199 10.2583 10.2583 10.4658 10.4658 10.5318 10.5318 10.6182 10.6182 12.9649 12.9649 13.0007 13.0007 15.2377 15.2377 15.3098 15.3098 15.3163 15.3163 k = 0.4886 0.2821 0.2412 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9587 -14.9587 5.9381 5.9381 6.9421 6.9421 9.1751 9.1751 9.2543 9.2543 10.0382 10.0382 10.1391 10.1391 10.1564 10.1564 10.2252 10.2252 10.2758 10.2758 10.4672 10.4672 10.5315 10.5315 10.6209 10.6209 12.9524 12.9524 12.9948 12.9948 15.2179 15.2179 15.2988 15.2988 15.3098 15.3098 k = 0.4848 0.2799 0.2536 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4702 -15.4702 -14.9813 -14.9813 -14.9588 -14.9588 5.9428 5.9428 6.9515 6.9515 9.1680 9.1680 9.2532 9.2532 10.0287 10.0287 10.1277 10.1277 10.1534 10.1534 10.2334 10.2334 10.2941 10.2941 10.4690 10.4690 10.5310 10.5310 10.6247 10.6247 12.9329 12.9329 12.9887 12.9887 15.1877 15.1877 15.2876 15.2876 15.3009 15.3009 k = 0.4811 0.2777 0.2660 ( 2238 PWs) bands (ev): -36.4163 -36.4163 -15.4703 -15.4703 -14.9812 -14.9812 -14.9590 -14.9590 5.9488 5.9488 6.9636 6.9636 9.1569 9.1569 9.2540 9.2540 10.0170 10.0170 10.1149 10.1149 10.1523 10.1523 10.2433 10.2433 10.3126 10.3126 10.4712 10.4712 10.5304 10.5304 10.6297 10.6297 12.9070 12.9070 12.9826 12.9826 15.1473 15.1473 15.2775 15.2775 15.2899 15.2899 k = 0.4773 0.2756 0.2784 ( 2240 PWs) bands (ev): -36.4162 -36.4162 -15.4703 -15.4703 -14.9812 -14.9812 -14.9592 -14.9592 5.9561 5.9561 6.9783 6.9783 9.1413 9.1413 9.2572 9.2572 10.0037 10.0037 10.1023 10.1023 10.1526 10.1526 10.2545 10.2545 10.3307 10.3307 10.4735 10.4735 10.5298 10.5298 10.6358 10.6358 12.8753 12.8753 12.9761 12.9761 15.0979 15.0979 15.2688 15.2688 15.2770 15.2770 k = 0.4735 0.2734 0.2907 ( 2233 PWs) bands (ev): -36.4162 -36.4162 -15.4704 -15.4704 -14.9811 -14.9811 -14.9595 -14.9595 5.9647 5.9647 6.9955 6.9955 9.1213 9.1213 9.2628 9.2628 9.9890 9.9890 10.0901 10.0901 10.1538 10.1538 10.2665 10.2665 10.3483 10.3483 10.4761 10.4761 10.5294 10.5294 10.6432 10.6432 12.8388 12.8388 12.9689 12.9689 15.0408 15.0408 15.2598 15.2598 15.2640 15.2640 k = 0.4697 0.2712 0.3031 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4705 -15.4705 -14.9811 -14.9811 -14.9598 -14.9598 5.9746 5.9746 7.0153 7.0153 9.0973 9.0973 9.2705 9.2705 9.9731 9.9731 10.0786 10.0786 10.1560 10.1560 10.2791 10.2791 10.3649 10.3649 10.4787 10.4787 10.5291 10.5291 10.6517 10.6517 12.7979 12.7979 12.9610 12.9610 14.9770 14.9770 15.2450 15.2450 15.2568 15.2568 k = 0.4659 0.2690 0.3155 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4706 -15.4706 -14.9810 -14.9810 -14.9601 -14.9601 5.9857 5.9857 7.0375 7.0375 9.0696 9.0696 9.2801 9.2801 9.9565 9.9565 10.0677 10.0677 10.1590 10.1590 10.2921 10.2921 10.3803 10.3803 10.4814 10.4814 10.5292 10.5292 10.6612 10.6612 12.7537 12.7537 12.9521 12.9521 14.9076 14.9076 15.2278 15.2278 15.2523 15.2523 k = 0.4621 0.2668 0.3278 ( 2239 PWs) bands (ev): -36.4162 -36.4162 -15.4707 -15.4707 -14.9809 -14.9809 -14.9605 -14.9605 5.9982 5.9982 7.0622 7.0622 9.0385 9.0385 9.2914 9.2914 9.9393 9.9393 10.0574 10.0574 10.1628 10.1628 10.3054 10.3054 10.3941 10.3941 10.4843 10.4843 10.5300 10.5300 10.6718 10.6718 12.7065 12.7065 12.9424 12.9424 14.8338 14.8338 15.2096 15.2096 15.2494 15.2494 k = 0.4583 0.2646 0.3402 ( 2241 PWs) bands (ev): -36.4161 -36.4161 -15.4708 -15.4708 -14.9808 -14.9808 -14.9609 -14.9609 6.0118 6.0118 7.0892 7.0892 9.0045 9.0045 9.3042 9.3042 9.9217 9.9217 10.0476 10.0476 10.1674 10.1674 10.3189 10.3189 10.4060 10.4060 10.4873 10.4873 10.5317 10.5317 10.6832 10.6832 12.6568 12.6568 12.9317 12.9317 14.7563 14.7563 15.1908 15.1908 15.2480 15.2480 k = 0.4545 0.2624 0.3526 ( 2240 PWs) bands (ev): -36.4161 -36.4161 -15.4709 -15.4709 -14.9808 -14.9808 -14.9613 -14.9613 6.0266 6.0266 7.1184 7.1184 8.9677 8.9677 9.3184 9.3184 9.9038 9.9038 10.0382 10.0382 10.1727 10.1727 10.3324 10.3324 10.4158 10.4158 10.4903 10.4903 10.5347 10.5347 10.6953 10.6953 12.6053 12.6053 12.9202 12.9202 14.6761 14.6761 15.1718 15.1718 15.2480 15.2480 k = 0.4508 0.2602 0.3649 ( 2238 PWs) bands (ev): -36.4161 -36.4161 -15.4710 -15.4710 -14.9807 -14.9807 -14.9617 -14.9617 6.0426 6.0426 7.1498 7.1498 8.9285 8.9285 9.3339 9.3339 9.8858 9.8858 10.0293 10.0293 10.1786 10.1786 10.3457 10.3457 10.4235 10.4235 10.4933 10.4933 10.5393 10.5393 10.7080 10.7080 12.5523 12.5523 12.9076 12.9076 14.5942 14.5942 15.1528 15.1528 15.2495 15.2495 k = 0.4470 0.2581 0.3773 ( 2238 PWs) bands (ev): -36.4161 -36.4161 -15.4712 -15.4712 -14.9806 -14.9806 -14.9622 -14.9622 6.0597 6.0597 7.1832 7.1832 8.8870 8.8870 9.3507 9.3507 9.8676 9.8676 10.0208 10.0208 10.1851 10.1851 10.3587 10.3587 10.4293 10.4293 10.4963 10.4963 10.5456 10.5456 10.7211 10.7211 12.4983 12.4983 12.8941 12.8941 14.5112 14.5112 15.1342 15.1342 15.2523 15.2523 k = 0.4432 0.2559 0.3897 ( 2232 PWs) bands (ev): -36.4160 -36.4160 -15.4713 -15.4713 -14.9805 -14.9805 -14.9626 -14.9626 6.0779 6.0779 7.2185 7.2185 8.8436 8.8436 9.3685 9.3685 9.8494 9.8494 10.0126 10.0126 10.1919 10.1919 10.3710 10.3710 10.4336 10.4336 10.4994 10.4994 10.5533 10.5533 10.7343 10.7343 12.4437 12.4437 12.8797 12.8797 14.4281 14.4281 15.1162 15.1162 15.2565 15.2565 k = 0.4394 0.2537 0.4021 ( 2233 PWs) bands (ev): -36.4160 -36.4160 -15.4714 -15.4714 -14.9804 -14.9804 -14.9631 -14.9631 6.0972 6.0972 7.2557 7.2557 8.7984 8.7984 9.3875 9.3875 9.8312 9.8312 10.0048 10.0048 10.1990 10.1990 10.3821 10.3821 10.4369 10.4369 10.5028 10.5028 10.5620 10.5620 10.7476 10.7476 12.3889 12.3889 12.8643 12.8643 14.3454 14.3454 15.0990 15.0990 15.2619 15.2619 k = 0.4356 0.2515 0.4144 ( 2231 PWs) bands (ev): -36.4160 -36.4160 -15.4716 -15.4716 -14.9803 -14.9803 -14.9635 -14.9635 6.1173 6.1173 7.2944 7.2944 8.7516 8.7516 9.4074 9.4074 9.8131 9.8131 9.9973 9.9973 10.2062 10.2062 10.3914 10.3914 10.4400 10.4400 10.5071 10.5071 10.5714 10.5714 10.7608 10.7608 12.3342 12.3342 12.8480 12.8480 14.2638 14.2638 15.0830 15.0830 15.2686 15.2686 k = 0.4318 0.2493 0.4268 ( 2233 PWs) bands (ev): -36.4159 -36.4159 -15.4717 -15.4717 -14.9802 -14.9802 -14.9640 -14.9640 6.1383 6.1383 7.3346 7.3346 8.7033 8.7033 9.4283 9.4283 9.7950 9.7950 9.9901 9.9901 10.2134 10.2134 10.3984 10.3984 10.4434 10.4434 10.5126 10.5126 10.5810 10.5810 10.7737 10.7737 12.2802 12.2802 12.8307 12.8307 14.1839 14.1839 15.0682 15.0682 15.2765 15.2765 k = 0.4280 0.2471 0.4392 ( 2235 PWs) bands (ev): -36.4159 -36.4159 -15.4719 -15.4719 -14.9801 -14.9801 -14.9645 -14.9645 6.1602 6.1602 7.3760 7.3760 8.6540 8.6540 9.4500 9.4500 9.7772 9.7772 9.9831 9.9831 10.2206 10.2206 10.4025 10.4025 10.4476 10.4476 10.5197 10.5197 10.5907 10.5907 10.7862 10.7862 12.2271 12.2271 12.8126 12.8126 14.1061 14.1061 15.0549 15.0549 15.2855 15.2855 k = 0.4242 0.2449 0.4515 ( 2240 PWs) bands (ev): -36.4159 -36.4159 -15.4721 -15.4721 -14.9801 -14.9801 -14.9650 -14.9650 6.1826 6.1826 7.4184 7.4184 8.6037 8.6037 9.4725 9.4725 9.7596 9.7596 9.9765 9.9765 10.2275 10.2275 10.4038 10.4038 10.4523 10.4523 10.5285 10.5285 10.6004 10.6004 10.7980 10.7980 12.1754 12.1754 12.7937 12.7937 14.0308 14.0308 15.0433 15.0433 15.2956 15.2956 k = 0.4205 0.2427 0.4639 ( 2240 PWs) bands (ev): -36.4158 -36.4158 -15.4722 -15.4722 -14.9800 -14.9800 -14.9654 -14.9654 6.2057 6.2057 7.4615 7.4615 8.5529 8.5529 9.4957 9.4957 9.7424 9.7424 9.9702 9.9702 10.2341 10.2341 10.4031 10.4031 10.4572 10.4572 10.5390 10.5390 10.6101 10.6101 10.8091 10.8091 12.1255 12.1255 12.7740 12.7740 13.9584 13.9584 15.0335 15.0335 15.3068 15.3068 k = 0.4167 0.2406 0.4763 ( 2234 PWs) bands (ev): -36.4158 -36.4158 -15.4723 -15.4723 -14.9800 -14.9800 -14.9658 -14.9658 6.2291 6.2291 7.5049 7.5049 8.5019 8.5019 9.5196 9.5196 9.7256 9.7256 9.9641 9.9641 10.2404 10.2404 10.4008 10.4008 10.4617 10.4617 10.5511 10.5511 10.6198 10.6198 10.8193 10.8193 12.0778 12.0778 12.7536 12.7536 13.8891 13.8891 15.0256 15.0256 15.3188 15.3188 k = 0.4129 0.2384 0.4887 ( 2239 PWs) bands (ev): -36.4158 -36.4158 -15.4725 -15.4725 -14.9799 -14.9799 -14.9662 -14.9662 6.2527 6.2527 7.5483 7.5483 8.4511 8.4511 9.5440 9.5440 9.7094 9.7094 9.9581 9.9581 10.2463 10.2463 10.3974 10.3974 10.4654 10.4654 10.5644 10.5644 10.6296 10.6296 10.8284 10.8284 12.0327 12.0327 12.7324 12.7324 13.8230 13.8230 15.0197 15.0197 15.3316 15.3316 k = 0.4091 0.2362 0.5010 ( 2239 PWs) bands (ev): -36.4157 -36.4157 -15.4726 -15.4726 -14.9799 -14.9799 -14.9666 -14.9666 6.2763 6.2763 7.5909 7.5909 8.4012 8.4012 9.5687 9.5687 9.6938 9.6938 9.9524 9.9524 10.2517 10.2517 10.3933 10.3933 10.4682 10.4682 10.5786 10.5786 10.6398 10.6398 10.8364 10.8364 11.9909 11.9909 12.7104 12.7104 13.7603 13.7603 15.0160 15.0160 15.3451 15.3451 k = 0.4053 0.2340 0.5134 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4728 -15.4728 -14.9799 -14.9799 -14.9669 -14.9669 6.2997 6.2997 7.6321 7.6321 8.3530 8.3530 9.5938 9.5938 9.6791 9.6791 9.9470 9.9470 10.2566 10.2566 10.3889 10.3889 10.4698 10.4698 10.5935 10.5935 10.6505 10.6505 10.8431 10.8431 11.9526 11.9526 12.6879 12.6879 13.7011 13.7011 15.0145 15.0145 15.3590 15.3590 k = 0.4015 0.2318 0.5258 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4729 -15.4729 -14.9799 -14.9799 -14.9672 -14.9672 6.3226 6.3226 7.6708 7.6708 8.3075 8.3075 9.6186 9.6186 9.6657 9.6657 9.9418 9.9418 10.2610 10.2610 10.3843 10.3843 10.4701 10.4701 10.6087 10.6087 10.6618 10.6618 10.8484 10.8484 11.9181 11.9181 12.6647 12.6647 13.6454 13.6454 15.0152 15.0152 15.3730 15.3730 k = 0.3977 0.2296 0.5381 ( 2234 PWs) bands (ev): -36.4157 -36.4157 -15.4730 -15.4730 -14.9799 -14.9799 -14.9675 -14.9675 6.3446 6.3446 7.7054 7.7054 8.2665 8.2665 9.6395 9.6395 9.6573 9.6573 9.9367 9.9367 10.2647 10.2647 10.3798 10.3798 10.4689 10.4689 10.6242 10.6242 10.6740 10.6740 10.8525 10.8525 11.8880 11.8880 12.6409 12.6409 13.5931 13.5931 15.0182 15.0182 15.3866 15.3866 k = 0.3939 0.2274 0.5505 ( 2234 PWs) bands (ev): -36.4156 -36.4156 -15.4731 -15.4731 -14.9800 -14.9800 -14.9677 -14.9677 6.3653 6.3653 7.7341 7.7341 8.2320 8.2320 9.6370 9.6370 9.6734 9.6734 9.9318 9.9318 10.2676 10.2676 10.3756 10.3756 10.4661 10.4661 10.6398 10.6398 10.6871 10.6871 10.8553 10.8553 11.8625 11.8625 12.6166 12.6166 13.5441 13.5441 15.0235 15.0235 15.3992 15.3992 k = 0.3902 0.2253 0.5629 ( 2236 PWs) bands (ev): -36.4156 -36.4156 -15.4732 -15.4732 -14.9800 -14.9800 -14.9679 -14.9679 6.3843 6.3843 7.7542 7.7542 8.2069 8.2069 9.6274 9.6274 9.6976 9.6976 9.9272 9.9272 10.2696 10.2696 10.3719 10.3719 10.4618 10.4618 10.6554 10.6554 10.7009 10.7009 10.8572 10.8572 11.8417 11.8417 12.5918 12.5918 13.4984 13.4984 15.0311 15.0311 15.4096 15.4096 k = 0.3864 0.2231 0.5753 ( 2238 PWs) bands (ev): -36.4156 -36.4156 -15.4733 -15.4733 -14.9801 -14.9801 -14.9680 -14.9680 6.4010 6.4010 7.7636 7.7636 8.1936 8.1936 9.6186 9.6186 9.7219 9.7219 9.9228 9.9228 10.2705 10.2705 10.3688 10.3688 10.4560 10.4560 10.6710 10.6710 10.7154 10.7154 10.8584 10.8584 11.8257 11.8257 12.5665 12.5665 13.4558 13.4558 15.0409 15.0409 15.4167 15.4167 k = 0.3826 0.2209 0.5876 ( 2242 PWs) bands (ev): -36.4156 -36.4156 -15.4734 -15.4734 -14.9802 -14.9802 -14.9681 -14.9681 6.4147 6.4147 7.7613 7.7613 8.1936 8.1936 9.6111 9.6111 9.7456 9.7456 9.9189 9.9189 10.2703 10.2703 10.3663 10.3663 10.4491 10.4491 10.6867 10.6867 10.7302 10.7302 10.8596 10.8596 11.8145 11.8145 12.5408 12.5408 13.4160 13.4160 15.0527 15.0527 15.4036 15.4081 k = 0.3788 0.2187 0.6000 ( 2242 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9803 -14.9803 -14.9682 -14.9682 6.4247 6.4247 7.7489 7.7489 8.2058 8.2058 9.6053 9.6053 9.7681 9.7681 9.9157 9.9157 10.2689 10.2689 10.3641 10.3641 10.4416 10.4416 10.7023 10.7023 10.7447 10.7447 10.8612 10.8612 11.8082 11.8082 12.5147 12.5147 13.3789 13.3789 15.0664 15.0664 15.3534 15.3535 k = 0.3750 0.2165 0.6124 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4304 6.4304 7.7295 7.7295 8.2277 8.2277 9.6013 9.6013 9.7887 9.7887 9.9135 9.9135 10.2663 10.2663 10.3618 10.3618 10.4343 10.4343 10.7180 10.7180 10.7585 10.7585 10.8644 10.8644 11.8064 11.8064 12.4882 12.4882 13.3443 13.3443 15.0814 15.0814 15.3045 15.3046 k = 0.6250-0.0722 0.4082 ( 2245 PWs) bands (ev): -36.4156 -36.4156 -15.4735 -15.4735 -14.9804 -14.9804 -14.9682 -14.9682 6.4304 6.4304 7.7295 7.7295 8.2277 8.2277 9.6013 9.6013 9.7887 9.7887 9.9135 9.9135 10.2663 10.2663 10.3618 10.3618 10.4343 10.4343 10.7180 10.7180 10.7585 10.7585 10.8644 10.8644 11.8064 11.8064 12.4882 12.4882 13.3443 13.3443 15.0814 15.0814 15.3045 15.3046 k = 0.6184-0.0836 0.4082 ( 2241 PWs) bands (ev): -36.4156 -36.4156 -15.4736 -15.4736 -14.9805 -14.9805 -14.9681 -14.9681 6.4338 6.4338 7.6930 7.6930 8.2732 8.2732 9.5958 9.5958 9.8207 9.8207 9.9125 9.9125 10.2603 10.2603 10.3569 10.3569 10.4224 10.4224 10.7453 10.7453 10.7814 10.7814 10.8747 10.8747 11.8072 11.8072 12.4418 12.4418 13.2873 13.2873 15.1068 15.1068 15.2240 15.2240 k = 0.6118-0.0950 0.4082 ( 2241 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9807 -14.9807 -14.9681 -14.9681 6.4339 6.4339 7.6585 7.6585 8.3197 8.3197 9.5906 9.5906 9.8476 9.8476 9.9166 9.9166 10.2536 10.2536 10.3511 10.3511 10.4102 10.4102 10.7726 10.7726 10.8051 10.8051 10.8913 10.8913 11.8078 11.8078 12.3949 12.3949 13.2319 13.2319 15.1295 15.1295 15.1477 15.1477 k = 0.6053-0.1064 0.4082 ( 2237 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9809 -14.9809 -14.9679 -14.9679 6.4312 6.4312 7.6260 7.6260 8.3663 8.3663 9.5855 9.5855 9.8645 9.8645 9.9307 9.9307 10.2464 10.2464 10.3443 10.3443 10.3978 10.3978 10.7993 10.7993 10.8301 10.8301 10.9143 10.9143 11.8084 11.8084 12.3477 12.3477 13.1779 13.1779 15.0719 15.0719 15.1537 15.1537 k = 0.5987-0.1177 0.4082 ( 2233 PWs) bands (ev): -36.4155 -36.4155 -15.4737 -15.4737 -14.9811 -14.9811 -14.9678 -14.9678 6.4263 6.4263 7.5956 7.5956 8.4120 8.4120 9.5806 9.5806 9.8709 9.8709 9.9547 9.9547 10.2391 10.2391 10.3367 10.3367 10.3850 10.3850 10.8246 10.8246 10.8568 10.8568 10.9439 10.9439 11.8089 11.8089 12.3000 12.3000 13.1250 13.1250 15.0015 15.0015 15.1744 15.1744 k = 0.5921-0.1291 0.4082 ( 2235 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9813 -14.9813 -14.9676 -14.9676 6.4197 6.4197 7.5671 7.5671 8.4563 8.4563 9.5760 9.5760 9.8720 9.8720 9.9831 9.9831 10.2317 10.2317 10.3286 10.3286 10.3719 10.3719 10.8476 10.8476 10.8860 10.8860 10.9799 10.9799 11.8092 11.8092 12.2520 12.2520 13.0730 13.0730 14.9348 14.9348 15.1937 15.1937 k = 0.5855-0.1405 0.4082 ( 2235 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9814 -14.9814 -14.9675 -14.9675 6.4120 6.4120 7.5406 7.5406 8.4984 8.4984 9.5718 9.5718 9.8713 9.8713 10.0124 10.0124 10.2245 10.2245 10.3202 10.3202 10.3586 10.3586 10.8682 10.8682 10.9176 10.9176 11.0222 11.0222 11.8094 11.8094 12.2036 12.2036 13.0216 13.0216 14.8719 14.8719 15.2115 15.2115 k = 0.5789-0.1519 0.4082 ( 2229 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9816 -14.9816 -14.9673 -14.9673 6.4036 6.4036 7.5161 7.5161 8.5379 8.5379 9.5679 9.5679 9.8699 9.8699 10.0412 10.0412 10.2176 10.2176 10.3117 10.3117 10.3452 10.3452 10.8866 10.8866 10.9513 10.9513 11.0699 11.0699 11.8096 11.8096 12.1549 12.1549 12.9707 12.9707 14.8130 14.8130 15.2279 15.2279 k = 0.5724-0.1633 0.4082 ( 2225 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9818 -14.9818 -14.9671 -14.9671 6.3948 6.3948 7.4936 7.4936 8.5746 8.5746 9.5643 9.5643 9.8683 9.8683 10.0686 10.0686 10.2111 10.2111 10.3035 10.3035 10.3319 10.3319 10.9031 10.9031 10.9869 10.9869 11.1225 11.1225 11.8096 11.8096 12.1060 12.1060 12.9200 12.9200 14.7583 14.7583 15.2428 15.2428 k = 0.5658-0.1747 0.4082 ( 2233 PWs) bands (ev): -36.4155 -36.4155 -15.4738 -15.4738 -14.9820 -14.9820 -14.9670 -14.9670 6.3858 6.3858 7.4731 7.4731 8.6079 8.6079 9.5612 9.5612 9.8666 9.8666 10.0941 10.0941 10.2052 10.2052 10.2957 10.2957 10.3190 10.3190 10.9179 10.9179 11.0239 11.0239 11.1788 11.1788 11.8094 11.8094 12.0570 12.0570 12.8695 12.8695 14.7079 14.7079 15.2563 15.2563 k = 0.5592-0.1861 0.4082 ( 2233 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9821 -14.9821 -14.9668 -14.9668 6.3772 6.3772 7.4545 7.4545 8.6381 8.6381 9.5584 9.5584 9.8651 9.8651 10.1174 10.1174 10.2001 10.2001 10.2883 10.2883 10.3068 10.3068 10.9311 10.9311 11.0624 11.0624 11.2382 11.2382 11.8088 11.8088 12.0082 12.0082 12.8192 12.8192 14.6619 14.6619 15.2684 15.2685 k = 0.5526-0.1975 0.4082 ( 2233 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9823 -14.9823 -14.9667 -14.9667 6.3689 6.3689 7.4379 7.4379 8.6648 8.6648 9.5560 9.5560 9.8638 9.8638 10.1378 10.1378 10.1957 10.1957 10.2815 10.2815 10.2956 10.2956 10.9430 10.9430 11.1019 11.1019 11.2992 11.2992 11.8078 11.8078 11.9601 11.9601 12.7692 12.7692 14.6204 14.6204 15.2790 15.2791 k = 0.5461-0.2089 0.4082 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9824 -14.9824 -14.9665 -14.9665 6.3611 6.3611 7.4233 7.4233 8.6882 8.6882 9.5539 9.5539 9.8625 9.8625 10.1550 10.1550 10.1926 10.1926 10.2755 10.2755 10.2859 10.2859 10.9535 10.9535 11.1423 11.1423 11.3608 11.3608 11.8054 11.8054 11.9136 11.9136 12.7199 12.7199 14.5835 14.5835 15.2883 15.2883 k = 0.5395-0.2203 0.4082 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9825 -14.9825 -14.9664 -14.9664 6.3542 6.3542 7.4106 7.4106 8.7082 8.7082 9.5521 9.5521 9.8615 9.8615 10.1677 10.1677 10.1912 10.1912 10.2701 10.2701 10.2780 10.2780 10.9625 10.9625 11.1833 11.1833 11.4213 11.4213 11.7993 11.7993 11.8716 11.8716 12.6718 12.6718 14.5514 14.5514 15.2961 15.2961 k = 0.5329-0.2317 0.4082 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9826 -14.9826 -14.9663 -14.9663 6.3481 6.3481 7.3999 7.3999 8.7249 8.7249 9.5507 9.5507 9.8606 9.8606 10.1748 10.1748 10.1925 10.1925 10.2656 10.2656 10.2724 10.2724 10.9702 10.9702 11.2242 11.2242 11.4791 11.4791 11.7820 11.7820 11.8421 11.8421 12.6259 12.6259 14.5241 14.5241 15.3023 15.3029 k = 0.5263-0.2431 0.4082 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9827 -14.9827 -14.9662 -14.9662 6.3430 6.3430 7.3912 7.3912 8.7384 8.7384 9.5496 9.5496 9.8598 9.8598 10.1770 10.1770 10.1956 10.1956 10.2618 10.2618 10.2694 10.2694 10.9764 10.9764 11.2643 11.2643 11.5319 11.5319 11.7496 11.7496 11.8299 11.8299 12.5835 12.5835 14.5016 14.5016 15.3069 15.3070 k = 0.5197-0.2545 0.4082 ( 2238 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9828 -14.9828 -14.9661 -14.9661 6.3389 6.3389 7.3844 7.3844 8.7488 8.7488 9.5488 9.5488 9.8592 9.8592 10.1775 10.1775 10.1976 10.1976 10.2588 10.2588 10.2685 10.2685 10.9813 10.9813 11.3021 11.3021 11.5771 11.5771 11.7126 11.7126 11.8261 11.8261 12.5466 12.5466 14.4841 14.4841 15.3100 15.3103 k = 0.5132-0.2659 0.4082 ( 2234 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3360 6.3360 7.3795 7.3795 8.7562 8.7562 9.5482 9.5482 9.8588 9.8588 10.1776 10.1776 10.1983 10.1983 10.2567 10.2567 10.2689 10.2689 10.9848 10.9848 11.3350 11.3350 11.6117 11.6117 11.6794 11.6794 11.8251 11.8251 12.5175 12.5175 14.4716 14.4716 15.3119 15.3123 k = 0.5066-0.2773 0.4082 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3342 6.3342 7.3766 7.3766 8.7605 8.7605 9.5479 9.5479 9.8585 9.8585 10.1778 10.1778 10.1982 10.1982 10.2554 10.2554 10.2696 10.2696 10.9867 10.9867 11.3588 11.3588 11.6315 11.6315 11.6575 11.6575 11.8250 11.8250 12.4986 12.4986 14.4641 14.4641 15.3128 15.3138 k = 0.5000-0.2887 0.4082 ( 2232 PWs) bands (ev): -36.4155 -36.4155 -15.4739 -15.4739 -14.9829 -14.9829 -14.9660 -14.9660 6.3336 6.3336 7.3756 7.3756 8.7620 8.7620 9.5478 9.5478 9.8585 9.8585 10.1778 10.1778 10.1980 10.1980 10.2550 10.2550 10.2699 10.2699 10.9874 10.9874 11.3677 11.3677 11.6343 11.6343 11.6531 11.6531 11.8251 11.8251 12.4921 12.4921 14.4615 14.4615 15.3130 15.3135 Writing output data file ScAlNi2.save init_run : 0.30s CPU 0.41s WALL ( 1 calls) electrons : 179.51s CPU 182.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 179.50s CPU 182.49s 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 : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 353 calls) cegterg : 164.09s CPU 166.63s WALL ( 916 calls) Called by sum_band: Called by *egterg: h_psi : 84.95s CPU 86.38s WALL ( 16021 calls) s_psi : 5.37s CPU 5.54s WALL ( 16021 calls) g_psi : 0.14s CPU 0.15s WALL ( 14752 calls) cdiaghg : 70.55s CPU 71.64s WALL ( 15105 calls) cegterg:over : 4.12s CPU 4.25s WALL ( 14752 calls) cegterg:upda : 3.08s CPU 3.22s WALL ( 14752 calls) cegterg:last : 1.74s CPU 1.74s WALL ( 1957 calls) cdiaghg:chol : 3.59s CPU 3.72s WALL ( 15105 calls) cdiaghg:inve : 2.17s CPU 2.11s WALL ( 15105 calls) cdiaghg:para : 4.12s CPU 4.11s WALL ( 30210 calls) Called by h_psi: h_psi:vloc : 73.55s CPU 75.01s WALL ( 16021 calls) h_psi:vnl : 11.28s CPU 11.22s WALL ( 16021 calls) add_vuspsi : 6.12s CPU 6.11s WALL ( 16021 calls) General routines calbec : 5.13s CPU 5.07s WALL ( 16021 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 68.46s CPU 69.86s WALL ( 955732 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.12s WALL ( 706 calls) Parallel routines fft_scatter : 24.61s CPU 25.12s WALL ( 955755 calls) PWSCF : 3m11.41s CPU 3m23.65s WALL This run was terminated on: 19:35: 1 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=