Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:29:27 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: ./LiAl2Rh.save/ file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 50 14 1415 1415 211 Max 52 52 15 1418 1418 213 Sum 1813 1813 511 50989 50989 7631 bravais-lattice index = 14 lattice parameter (alat) = 7.9867 a.u. unit-cell volume = 360.2353 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.986695 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Rh 17.00 102.90550 Rh( 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 0.1132076), 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 0.1886793), 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 0.3913043), 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 0.3484848 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 0.7434211), 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 0.7434211), 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 0.7045455), 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 0.6184211), 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 0.1315789 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: 50989 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 362, 34) NL pseudopotentials 0.32 Mb ( 181, 116) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1416) G-vector shells 0.00 Mb ( 377) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 362, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.12 Mb ( 116, 2, 34) The potential is recalculated from file : ./LiAl2Rh.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.7 secs Computing kpt #: 15 total cpu time spent up to now is 8.1 secs Computing kpt #: 16 total cpu time spent up to now is 8.5 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.9 secs Computing kpt #: 21 total cpu time spent up to now is 10.3 secs Computing kpt #: 22 total cpu time spent up to now is 10.7 secs Computing kpt #: 23 total cpu time spent up to now is 11.1 secs Computing kpt #: 24 total cpu time spent up to now is 11.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.1 secs Computing kpt #: 26 total cpu time spent up to now is 12.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 14.0 secs Computing kpt #: 30 total cpu time spent up to now is 14.5 secs Computing kpt #: 31 total cpu time spent up to now is 14.9 secs Computing kpt #: 32 total cpu time spent up to now is 15.3 secs Computing kpt #: 33 total cpu time spent up to now is 15.7 secs Computing kpt #: 34 total cpu time spent up to now is 16.1 secs Computing kpt #: 35 total cpu time spent up to now is 16.5 secs Computing kpt #: 36 total cpu time spent up to now is 16.9 secs Computing kpt #: 37 total cpu time spent up to now is 17.3 secs Computing kpt #: 38 total cpu time spent up to now is 17.7 secs Computing kpt #: 39 total cpu time spent up to now is 18.2 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 19.0 secs Computing kpt #: 42 total cpu time spent up to now is 19.4 secs Computing kpt #: 43 total cpu time spent up to now is 19.9 secs Computing kpt #: 44 total cpu time spent up to now is 20.4 secs Computing kpt #: 45 total cpu time spent up to now is 21.0 secs Computing kpt #: 46 total cpu time spent up to now is 21.5 secs Computing kpt #: 47 total cpu time spent up to now is 22.0 secs Computing kpt #: 48 total cpu time spent up to now is 22.4 secs Computing kpt #: 49 total cpu time spent up to now is 22.9 secs Computing kpt #: 50 total cpu time spent up to now is 23.3 secs Computing kpt #: 51 total cpu time spent up to now is 23.7 secs Computing kpt #: 52 total cpu time spent up to now is 24.1 secs Computing kpt #: 53 total cpu time spent up to now is 24.5 secs Computing kpt #: 54 total cpu time spent up to now is 24.8 secs Computing kpt #: 55 total cpu time spent up to now is 25.2 secs Computing kpt #: 56 total cpu time spent up to now is 25.5 secs Computing kpt #: 57 total cpu time spent up to now is 25.9 secs Computing kpt #: 58 total cpu time spent up to now is 26.2 secs Computing kpt #: 59 total cpu time spent up to now is 26.5 secs Computing kpt #: 60 total cpu time spent up to now is 26.8 secs Computing kpt #: 61 total cpu time spent up to now is 27.2 secs Computing kpt #: 62 total cpu time spent up to now is 27.5 secs Computing kpt #: 63 total cpu time spent up to now is 27.8 secs Computing kpt #: 64 total cpu time spent up to now is 28.1 secs Computing kpt #: 65 total cpu time spent up to now is 28.4 secs Computing kpt #: 66 total cpu time spent up to now is 28.7 secs Computing kpt #: 67 total cpu time spent up to now is 29.0 secs Computing kpt #: 68 total cpu time spent up to now is 29.3 secs Computing kpt #: 69 total cpu time spent up to now is 29.7 secs Computing kpt #: 70 total cpu time spent up to now is 30.0 secs Computing kpt #: 71 total cpu time spent up to now is 30.3 secs Computing kpt #: 72 total cpu time spent up to now is 30.6 secs Computing kpt #: 73 total cpu time spent up to now is 30.9 secs Computing kpt #: 74 total cpu time spent up to now is 31.2 secs Computing kpt #: 75 total cpu time spent up to now is 31.5 secs Computing kpt #: 76 total cpu time spent up to now is 31.8 secs Computing kpt #: 77 total cpu time spent up to now is 32.1 secs Computing kpt #: 78 total cpu time spent up to now is 32.4 secs Computing kpt #: 79 total cpu time spent up to now is 32.7 secs Computing kpt #: 80 total cpu time spent up to now is 33.0 secs Computing kpt #: 81 total cpu time spent up to now is 33.3 secs Computing kpt #: 82 total cpu time spent up to now is 33.7 secs Computing kpt #: 83 total cpu time spent up to now is 34.0 secs Computing kpt #: 84 total cpu time spent up to now is 34.3 secs Computing kpt #: 85 total cpu time spent up to now is 34.6 secs Computing kpt #: 86 total cpu time spent up to now is 34.9 secs Computing kpt #: 87 total cpu time spent up to now is 35.2 secs Computing kpt #: 88 total cpu time spent up to now is 35.5 secs Computing kpt #: 89 total cpu time spent up to now is 35.8 secs Computing kpt #: 90 total cpu time spent up to now is 36.1 secs Computing kpt #: 91 total cpu time spent up to now is 36.5 secs Computing kpt #: 92 total cpu time spent up to now is 36.8 secs Computing kpt #: 93 total cpu time spent up to now is 37.1 secs Computing kpt #: 94 total cpu time spent up to now is 37.4 secs Computing kpt #: 95 total cpu time spent up to now is 37.7 secs Computing kpt #: 96 total cpu time spent up to now is 38.0 secs Computing kpt #: 97 total cpu time spent up to now is 38.4 secs Computing kpt #: 98 total cpu time spent up to now is 38.7 secs Computing kpt #: 99 total cpu time spent up to now is 39.0 secs Computing kpt #: 100 total cpu time spent up to now is 39.3 secs Computing kpt #: 101 total cpu time spent up to now is 39.7 secs Computing kpt #: 102 total cpu time spent up to now is 40.0 secs Computing kpt #: 103 total cpu time spent up to now is 40.4 secs Computing kpt #: 104 total cpu time spent up to now is 40.7 secs Computing kpt #: 105 total cpu time spent up to now is 41.1 secs Computing kpt #: 106 total cpu time spent up to now is 41.4 secs Computing kpt #: 107 total cpu time spent up to now is 41.8 secs Computing kpt #: 108 total cpu time spent up to now is 42.1 secs Computing kpt #: 109 total cpu time spent up to now is 42.5 secs Computing kpt #: 110 total cpu time spent up to now is 42.9 secs Computing kpt #: 111 total cpu time spent up to now is 43.2 secs Computing kpt #: 112 total cpu time spent up to now is 43.6 secs Computing kpt #: 113 total cpu time spent up to now is 43.9 secs Computing kpt #: 114 total cpu time spent up to now is 44.2 secs Computing kpt #: 115 total cpu time spent up to now is 44.5 secs Computing kpt #: 116 total cpu time spent up to now is 44.8 secs Computing kpt #: 117 total cpu time spent up to now is 45.2 secs Computing kpt #: 118 total cpu time spent up to now is 45.5 secs Computing kpt #: 119 total cpu time spent up to now is 45.8 secs Computing kpt #: 120 total cpu time spent up to now is 46.1 secs Computing kpt #: 121 total cpu time spent up to now is 46.5 secs Computing kpt #: 122 total cpu time spent up to now is 46.8 secs Computing kpt #: 123 total cpu time spent up to now is 47.1 secs Computing kpt #: 124 total cpu time spent up to now is 47.4 secs Computing kpt #: 125 total cpu time spent up to now is 47.8 secs Computing kpt #: 126 total cpu time spent up to now is 48.1 secs Computing kpt #: 127 total cpu time spent up to now is 48.5 secs Computing kpt #: 128 total cpu time spent up to now is 48.8 secs Computing kpt #: 129 total cpu time spent up to now is 49.2 secs Computing kpt #: 130 total cpu time spent up to now is 49.6 secs Computing kpt #: 131 total cpu time spent up to now is 49.9 secs Computing kpt #: 132 total cpu time spent up to now is 50.3 secs Computing kpt #: 133 total cpu time spent up to now is 50.6 secs Computing kpt #: 134 total cpu time spent up to now is 50.9 secs Computing kpt #: 135 total cpu time spent up to now is 51.3 secs Computing kpt #: 136 total cpu time spent up to now is 51.7 secs Computing kpt #: 137 total cpu time spent up to now is 52.0 secs Computing kpt #: 138 total cpu time spent up to now is 52.4 secs Computing kpt #: 139 total cpu time spent up to now is 52.8 secs Computing kpt #: 140 total cpu time spent up to now is 53.1 secs Computing kpt #: 141 total cpu time spent up to now is 53.5 secs Computing kpt #: 142 total cpu time spent up to now is 53.9 secs Computing kpt #: 143 total cpu time spent up to now is 54.3 secs Computing kpt #: 144 total cpu time spent up to now is 54.6 secs Computing kpt #: 145 total cpu time spent up to now is 55.0 secs Computing kpt #: 146 total cpu time spent up to now is 55.4 secs Computing kpt #: 147 total cpu time spent up to now is 55.7 secs Computing kpt #: 148 total cpu time spent up to now is 56.1 secs Computing kpt #: 149 total cpu time spent up to now is 56.5 secs Computing kpt #: 150 total cpu time spent up to now is 56.8 secs Computing kpt #: 151 total cpu time spent up to now is 57.2 secs Computing kpt #: 152 total cpu time spent up to now is 57.6 secs Computing kpt #: 153 total cpu time spent up to now is 58.0 secs Computing kpt #: 154 total cpu time spent up to now is 58.4 secs Computing kpt #: 155 total cpu time spent up to now is 58.8 secs Computing kpt #: 156 total cpu time spent up to now is 59.2 secs Computing kpt #: 157 total cpu time spent up to now is 59.6 secs Computing kpt #: 158 total cpu time spent up to now is 60.0 secs Computing kpt #: 159 total cpu time spent up to now is 60.3 secs Computing kpt #: 160 total cpu time spent up to now is 60.7 secs Computing kpt #: 161 total cpu time spent up to now is 61.1 secs Computing kpt #: 162 total cpu time spent up to now is 61.4 secs Computing kpt #: 163 total cpu time spent up to now is 61.8 secs Computing kpt #: 164 total cpu time spent up to now is 62.2 secs Computing kpt #: 165 total cpu time spent up to now is 62.6 secs Computing kpt #: 166 total cpu time spent up to now is 63.0 secs Computing kpt #: 167 total cpu time spent up to now is 63.4 secs Computing kpt #: 168 total cpu time spent up to now is 63.8 secs Computing kpt #: 169 total cpu time spent up to now is 64.2 secs Computing kpt #: 170 total cpu time spent up to now is 64.6 secs Computing kpt #: 171 total cpu time spent up to now is 64.9 secs Computing kpt #: 172 total cpu time spent up to now is 65.3 secs Computing kpt #: 173 total cpu time spent up to now is 65.7 secs Computing kpt #: 174 total cpu time spent up to now is 66.0 secs Computing kpt #: 175 total cpu time spent up to now is 66.4 secs Computing kpt #: 176 total cpu time spent up to now is 66.7 secs Computing kpt #: 177 total cpu time spent up to now is 67.1 secs Computing kpt #: 178 total cpu time spent up to now is 67.4 secs Computing kpt #: 179 total cpu time spent up to now is 67.8 secs Computing kpt #: 180 total cpu time spent up to now is 68.1 secs Computing kpt #: 181 total cpu time spent up to now is 68.4 secs Computing kpt #: 182 total cpu time spent up to now is 68.8 secs Computing kpt #: 183 total cpu time spent up to now is 69.1 secs Computing kpt #: 184 total cpu time spent up to now is 69.5 secs Computing kpt #: 185 total cpu time spent up to now is 69.8 secs Computing kpt #: 186 total cpu time spent up to now is 70.2 secs Computing kpt #: 187 total cpu time spent up to now is 70.5 secs Computing kpt #: 188 total cpu time spent up to now is 70.8 secs Computing kpt #: 189 total cpu time spent up to now is 71.2 secs Computing kpt #: 190 total cpu time spent up to now is 71.5 secs Computing kpt #: 191 total cpu time spent up to now is 71.8 secs Computing kpt #: 192 total cpu time spent up to now is 72.2 secs Computing kpt #: 193 total cpu time spent up to now is 72.5 secs Computing kpt #: 194 total cpu time spent up to now is 72.9 secs Computing kpt #: 195 total cpu time spent up to now is 73.2 secs Computing kpt #: 196 total cpu time spent up to now is 73.5 secs Computing kpt #: 197 total cpu time spent up to now is 73.9 secs Computing kpt #: 198 total cpu time spent up to now is 74.2 secs Computing kpt #: 199 total cpu time spent up to now is 74.5 secs Computing kpt #: 200 total cpu time spent up to now is 74.8 secs Computing kpt #: 201 total cpu time spent up to now is 75.2 secs Computing kpt #: 202 total cpu time spent up to now is 75.5 secs Computing kpt #: 203 total cpu time spent up to now is 75.8 secs Computing kpt #: 204 total cpu time spent up to now is 76.1 secs Computing kpt #: 205 total cpu time spent up to now is 76.4 secs Computing kpt #: 206 total cpu time spent up to now is 76.8 secs Computing kpt #: 207 total cpu time spent up to now is 77.1 secs Computing kpt #: 208 total cpu time spent up to now is 77.4 secs Computing kpt #: 209 total cpu time spent up to now is 77.7 secs Computing kpt #: 210 total cpu time spent up to now is 78.0 secs Computing kpt #: 211 total cpu time spent up to now is 78.3 secs Computing kpt #: 212 total cpu time spent up to now is 78.7 secs Computing kpt #: 213 total cpu time spent up to now is 79.0 secs Computing kpt #: 214 total cpu time spent up to now is 79.3 secs Computing kpt #: 215 total cpu time spent up to now is 79.7 secs Computing kpt #: 216 total cpu time spent up to now is 80.1 secs Computing kpt #: 217 total cpu time spent up to now is 80.5 secs Computing kpt #: 218 total cpu time spent up to now is 81.0 secs Computing kpt #: 219 total cpu time spent up to now is 81.4 secs Computing kpt #: 220 total cpu time spent up to now is 81.7 secs Computing kpt #: 221 total cpu time spent up to now is 82.0 secs Computing kpt #: 222 total cpu time spent up to now is 82.4 secs Computing kpt #: 223 total cpu time spent up to now is 82.7 secs Computing kpt #: 224 total cpu time spent up to now is 83.0 secs Computing kpt #: 225 total cpu time spent up to now is 83.3 secs Computing kpt #: 226 total cpu time spent up to now is 83.7 secs Computing kpt #: 227 total cpu time spent up to now is 84.0 secs Computing kpt #: 228 total cpu time spent up to now is 84.4 secs Computing kpt #: 229 total cpu time spent up to now is 84.7 secs Computing kpt #: 230 total cpu time spent up to now is 85.1 secs Computing kpt #: 231 total cpu time spent up to now is 85.4 secs Computing kpt #: 232 total cpu time spent up to now is 85.8 secs Computing kpt #: 233 total cpu time spent up to now is 86.2 secs Computing kpt #: 234 total cpu time spent up to now is 86.5 secs Computing kpt #: 235 total cpu time spent up to now is 86.9 secs Computing kpt #: 236 total cpu time spent up to now is 87.2 secs Computing kpt #: 237 total cpu time spent up to now is 87.6 secs Computing kpt #: 238 total cpu time spent up to now is 87.9 secs Computing kpt #: 239 total cpu time spent up to now is 88.3 secs Computing kpt #: 240 total cpu time spent up to now is 88.6 secs Computing kpt #: 241 total cpu time spent up to now is 88.9 secs Computing kpt #: 242 total cpu time spent up to now is 89.3 secs Computing kpt #: 243 total cpu time spent up to now is 89.6 secs Computing kpt #: 244 total cpu time spent up to now is 89.9 secs Computing kpt #: 245 total cpu time spent up to now is 90.3 secs Computing kpt #: 246 total cpu time spent up to now is 90.6 secs Computing kpt #: 247 total cpu time spent up to now is 90.9 secs Computing kpt #: 248 total cpu time spent up to now is 91.2 secs Computing kpt #: 249 total cpu time spent up to now is 91.6 secs Computing kpt #: 250 total cpu time spent up to now is 91.9 secs Computing kpt #: 251 total cpu time spent up to now is 92.2 secs Computing kpt #: 252 total cpu time spent up to now is 92.5 secs Computing kpt #: 253 total cpu time spent up to now is 92.8 secs Computing kpt #: 254 total cpu time spent up to now is 93.1 secs Computing kpt #: 255 total cpu time spent up to now is 93.4 secs Computing kpt #: 256 total cpu time spent up to now is 93.7 secs Computing kpt #: 257 total cpu time spent up to now is 94.1 secs Computing kpt #: 258 total cpu time spent up to now is 94.4 secs Computing kpt #: 259 total cpu time spent up to now is 94.7 secs Computing kpt #: 260 total cpu time spent up to now is 95.0 secs Computing kpt #: 261 total cpu time spent up to now is 95.3 secs Computing kpt #: 262 total cpu time spent up to now is 95.6 secs Computing kpt #: 263 total cpu time spent up to now is 95.9 secs Computing kpt #: 264 total cpu time spent up to now is 96.2 secs Computing kpt #: 265 total cpu time spent up to now is 96.5 secs Computing kpt #: 266 total cpu time spent up to now is 96.9 secs Computing kpt #: 267 total cpu time spent up to now is 97.2 secs Computing kpt #: 268 total cpu time spent up to now is 97.5 secs Computing kpt #: 269 total cpu time spent up to now is 97.8 secs Computing kpt #: 270 total cpu time spent up to now is 98.1 secs Computing kpt #: 271 total cpu time spent up to now is 98.4 secs Computing kpt #: 272 total cpu time spent up to now is 98.8 secs Computing kpt #: 273 total cpu time spent up to now is 99.2 secs Computing kpt #: 274 total cpu time spent up to now is 99.5 secs Computing kpt #: 275 total cpu time spent up to now is 99.9 secs Computing kpt #: 276 total cpu time spent up to now is 100.3 secs Computing kpt #: 277 total cpu time spent up to now is 100.7 secs Computing kpt #: 278 total cpu time spent up to now is 101.1 secs Computing kpt #: 279 total cpu time spent up to now is 101.4 secs Computing kpt #: 280 total cpu time spent up to now is 101.8 secs Computing kpt #: 281 total cpu time spent up to now is 102.1 secs Computing kpt #: 282 total cpu time spent up to now is 102.4 secs Computing kpt #: 283 total cpu time spent up to now is 102.8 secs Computing kpt #: 284 total cpu time spent up to now is 103.1 secs Computing kpt #: 285 total cpu time spent up to now is 103.4 secs Computing kpt #: 286 total cpu time spent up to now is 103.7 secs Computing kpt #: 287 total cpu time spent up to now is 104.1 secs Computing kpt #: 288 total cpu time spent up to now is 104.4 secs Computing kpt #: 289 total cpu time spent up to now is 104.7 secs Computing kpt #: 290 total cpu time spent up to now is 105.1 secs Computing kpt #: 291 total cpu time spent up to now is 105.4 secs Computing kpt #: 292 total cpu time spent up to now is 105.7 secs Computing kpt #: 293 total cpu time spent up to now is 106.1 secs Computing kpt #: 294 total cpu time spent up to now is 106.4 secs Computing kpt #: 295 total cpu time spent up to now is 106.7 secs Computing kpt #: 296 total cpu time spent up to now is 107.0 secs Computing kpt #: 297 total cpu time spent up to now is 107.3 secs Computing kpt #: 298 total cpu time spent up to now is 107.6 secs Computing kpt #: 299 total cpu time spent up to now is 107.9 secs Computing kpt #: 300 total cpu time spent up to now is 108.3 secs Computing kpt #: 301 total cpu time spent up to now is 108.6 secs Computing kpt #: 302 total cpu time spent up to now is 108.9 secs Computing kpt #: 303 total cpu time spent up to now is 109.2 secs Computing kpt #: 304 total cpu time spent up to now is 109.5 secs Computing kpt #: 305 total cpu time spent up to now is 109.9 secs Computing kpt #: 306 total cpu time spent up to now is 110.2 secs Computing kpt #: 307 total cpu time spent up to now is 110.5 secs Computing kpt #: 308 total cpu time spent up to now is 110.9 secs Computing kpt #: 309 total cpu time spent up to now is 111.2 secs Computing kpt #: 310 total cpu time spent up to now is 111.6 secs Computing kpt #: 311 total cpu time spent up to now is 111.9 secs Computing kpt #: 312 total cpu time spent up to now is 112.2 secs Computing kpt #: 313 total cpu time spent up to now is 112.6 secs Computing kpt #: 314 total cpu time spent up to now is 112.9 secs Computing kpt #: 315 total cpu time spent up to now is 113.2 secs Computing kpt #: 316 total cpu time spent up to now is 113.6 secs Computing kpt #: 317 total cpu time spent up to now is 113.9 secs Computing kpt #: 318 total cpu time spent up to now is 114.2 secs Computing kpt #: 319 total cpu time spent up to now is 114.6 secs Computing kpt #: 320 total cpu time spent up to now is 114.9 secs Computing kpt #: 321 total cpu time spent up to now is 115.3 secs Computing kpt #: 322 total cpu time spent up to now is 115.6 secs Computing kpt #: 323 total cpu time spent up to now is 116.0 secs Computing kpt #: 324 total cpu time spent up to now is 116.3 secs Computing kpt #: 325 total cpu time spent up to now is 116.7 secs Computing kpt #: 326 total cpu time spent up to now is 117.0 secs Computing kpt #: 327 total cpu time spent up to now is 117.4 secs Computing kpt #: 328 total cpu time spent up to now is 117.8 secs Computing kpt #: 329 total cpu time spent up to now is 118.1 secs Computing kpt #: 330 total cpu time spent up to now is 118.5 secs Computing kpt #: 331 total cpu time spent up to now is 118.8 secs Computing kpt #: 332 total cpu time spent up to now is 119.2 secs Computing kpt #: 333 total cpu time spent up to now is 119.5 secs Computing kpt #: 334 total cpu time spent up to now is 119.8 secs Computing kpt #: 335 total cpu time spent up to now is 120.2 secs Computing kpt #: 336 total cpu time spent up to now is 120.5 secs Computing kpt #: 337 total cpu time spent up to now is 120.9 secs Computing kpt #: 338 total cpu time spent up to now is 121.2 secs Computing kpt #: 339 total cpu time spent up to now is 121.5 secs Computing kpt #: 340 total cpu time spent up to now is 121.9 secs Computing kpt #: 341 total cpu time spent up to now is 122.2 secs Computing kpt #: 342 total cpu time spent up to now is 122.5 secs Computing kpt #: 343 total cpu time spent up to now is 122.9 secs Computing kpt #: 344 total cpu time spent up to now is 123.2 secs Computing kpt #: 345 total cpu time spent up to now is 123.6 secs Computing kpt #: 346 total cpu time spent up to now is 123.9 secs Computing kpt #: 347 total cpu time spent up to now is 124.2 secs Computing kpt #: 348 total cpu time spent up to now is 124.6 secs Computing kpt #: 349 total cpu time spent up to now is 124.9 secs Computing kpt #: 350 total cpu time spent up to now is 125.2 secs Computing kpt #: 351 total cpu time spent up to now is 125.6 secs Computing kpt #: 352 total cpu time spent up to now is 125.9 secs Computing kpt #: 353 total cpu time spent up to now is 126.2 secs ethr = 3.85E-08, avg # of iterations = 16.3 total cpu time spent up to now is 126.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6375 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7606 1.7606 7.3668 7.3668 7.3668 7.3668 7.5112 7.5112 8.7962 8.7962 8.7962 8.7962 13.5775 13.5775 13.7151 13.7151 13.7151 13.7151 13.9325 13.9325 15.9566 15.9566 15.9566 15.9566 k = 0.0094-0.0054 0.0077 ( 6375 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7621 1.7621 7.3660 7.3660 7.3672 7.3672 7.5109 7.5109 8.7944 8.7944 8.7966 8.7966 13.5741 13.5741 13.7096 13.7096 13.7142 13.7142 13.9327 13.9327 15.9535 15.9535 15.9584 15.9584 k = 0.0189-0.0109 0.0154 ( 6363 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7664 1.7664 7.3635 7.3635 7.3682 7.3682 7.5102 7.5102 8.7892 8.7892 8.7978 8.7978 13.5630 13.5630 13.6930 13.6930 13.7128 13.7128 13.9335 13.9335 15.9451 15.9451 15.9633 15.9633 k = 0.0283-0.0163 0.0231 ( 6355 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7736 1.7736 7.3591 7.3591 7.3699 7.3699 7.5092 7.5092 8.7806 8.7806 8.7999 8.7999 13.5418 13.5418 13.6657 13.6657 13.7134 13.7134 13.9347 13.9347 15.9338 15.9338 15.9688 15.9688 k = 0.0377-0.0218 0.0308 ( 6335 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7837 1.7837 7.3526 7.3526 7.3724 7.3724 7.5082 7.5082 8.7686 8.7686 8.8027 8.8027 13.5086 13.5086 13.6281 13.6281 13.7183 13.7183 13.9364 13.9364 15.9224 15.9224 15.9720 15.9720 k = 0.0472-0.0272 0.0385 ( 6335 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7966 1.7966 7.3439 7.3439 7.3755 7.3755 7.5076 7.5076 8.7534 8.7534 8.8064 8.8064 13.4632 13.4632 13.5805 13.5805 13.7281 13.7281 13.9385 13.9385 15.9129 15.9129 15.9725 15.9725 k = 0.0566-0.0327 0.0462 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.8125 1.8125 7.3325 7.3325 7.3793 7.3793 7.5076 7.5076 8.7350 8.7350 8.8109 8.8109 13.4066 13.4066 13.5238 13.5238 13.7426 13.7426 13.9411 13.9411 15.9059 15.9059 15.9726 15.9726 k = 0.0660-0.0381 0.0539 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6413 -33.6413 -33.6412 -33.6412 1.8312 1.8312 7.3185 7.3185 7.3839 7.3839 7.5085 7.5085 8.7136 8.7136 8.8161 8.8161 13.3403 13.3403 13.4586 13.4586 13.7609 13.7609 13.9440 13.9440 15.8987 15.8987 15.9754 15.9754 k = 0.0755-0.0436 0.0616 ( 6319 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6413 -33.6413 -33.6412 -33.6412 1.8527 1.8527 7.3017 7.3017 7.3892 7.3892 7.5105 7.5105 8.6894 8.6894 8.8222 8.8222 13.2655 13.2655 13.3858 13.3858 13.7821 13.7821 13.9474 13.9474 15.8649 15.8649 15.9828 15.9828 k = 0.0849-0.0490 0.0693 ( 6319 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6413 -33.6413 -33.6413 -33.6413 1.8772 1.8772 7.2822 7.2822 7.3953 7.3953 7.5138 7.5138 8.6624 8.6624 8.8290 8.8290 13.1834 13.1834 13.3062 13.3062 13.8055 13.8055 13.9510 13.9510 15.7351 15.7351 15.9684 15.9684 k = 0.0943-0.0545 0.0770 ( 6323 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6414 -33.6414 -33.6413 -33.6413 1.9045 1.9045 7.2602 7.2602 7.4021 7.4021 7.5183 7.5183 8.6329 8.6329 8.8365 8.8365 13.0952 13.0952 13.2207 13.2207 13.8301 13.8301 13.9549 13.9549 15.5593 15.5593 15.9785 15.9785 k = 0.1038-0.0599 0.0847 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6414 -33.6414 -33.6413 -33.6413 1.9346 1.9346 7.2357 7.2357 7.4098 7.4098 7.5240 7.5240 8.6011 8.6011 8.8448 8.8448 13.0019 13.0019 13.1299 13.1299 13.8546 13.8546 13.9591 13.9591 15.3737 15.3737 16.0021 16.0021 k = 0.1132-0.0654 0.0924 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5378 -37.5378 -34.4887 -34.4887 -33.6415 -33.6415 -33.6414 -33.6414 1.9676 1.9676 7.2091 7.2091 7.4182 7.4182 7.5310 7.5310 8.5670 8.5670 8.8538 8.8538 12.9042 12.9042 13.0348 13.0348 13.8774 13.8774 13.9635 13.9635 15.1864 15.1864 16.0341 16.0341 k = 0.1226-0.0708 0.1001 ( 6342 PWs) bands (ev): -66.9191 -66.9191 -37.5378 -37.5378 -34.4887 -34.4887 -33.6415 -33.6415 -33.6414 -33.6414 2.0034 2.0034 7.1804 7.1804 7.4275 7.4275 7.5393 7.5393 8.5310 8.5310 8.8635 8.8635 12.8029 12.8029 12.9360 12.9360 13.8955 13.8955 13.9680 13.9680 15.0023 15.0023 16.0728 16.0728 k = 0.1321-0.0763 0.1078 ( 6346 PWs) bands (ev): -66.9190 -66.9190 -37.5378 -37.5378 -34.4887 -34.4887 -33.6416 -33.6416 -33.6414 -33.6414 2.0420 2.0420 7.1500 7.1500 7.4377 7.4377 7.5487 7.5487 8.4930 8.4930 8.8739 8.8739 12.6988 12.6988 12.8340 12.8340 13.9042 13.9042 13.9727 13.9727 14.8272 14.8272 16.1177 16.1177 k = 0.1415-0.0817 0.1155 ( 6338 PWs) bands (ev): -66.9190 -66.9190 -37.5379 -37.5379 -34.4887 -34.4887 -33.6416 -33.6416 -33.6415 -33.6415 2.0835 2.0835 7.1180 7.1180 7.4487 7.4487 7.5593 7.5593 8.4535 8.4535 8.8849 8.8849 12.5923 12.5923 12.7296 12.7296 13.8949 13.8949 13.9776 13.9776 14.6703 14.6703 16.1684 16.1684 k = 0.1509-0.0871 0.1232 ( 6338 PWs) bands (ev): -66.9190 -66.9190 -37.5379 -37.5379 -34.4887 -34.4887 -33.6417 -33.6417 -33.6415 -33.6415 2.1277 2.1277 7.0847 7.0847 7.4607 7.4607 7.5711 7.5711 8.4123 8.4123 8.8965 8.8965 12.4839 12.4839 12.6231 12.6231 13.8544 13.8544 13.9825 13.9825 14.5452 14.5452 16.2245 16.2245 k = 0.1604-0.0926 0.1309 ( 6346 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4887 -34.4887 -33.6418 -33.6418 -33.6416 -33.6416 2.1747 2.1747 7.0502 7.0502 7.4735 7.4735 7.5842 7.5842 8.3698 8.3698 8.9086 8.9086 12.3742 12.3742 12.5150 12.5150 13.7704 13.7704 13.9875 13.9875 14.4646 14.4646 16.2857 16.2857 k = 0.1698-0.0980 0.1387 ( 6342 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4887 -34.4887 -33.6419 -33.6419 -33.6416 -33.6416 2.2245 2.2245 7.0147 7.0147 7.4872 7.4872 7.5984 7.5984 8.3261 8.3261 8.9213 8.9213 12.2633 12.2633 12.4057 12.4057 13.6434 13.6434 13.9925 13.9925 14.4282 14.4282 16.3518 16.3518 k = 0.1792-0.1035 0.1464 ( 6342 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4887 -34.4887 -33.6419 -33.6419 -33.6417 -33.6417 2.2771 2.2771 6.9785 6.9785 7.5018 7.5018 7.6138 7.6138 8.2813 8.2813 8.9345 8.9345 12.1518 12.1518 12.2956 12.2956 13.4863 13.4863 13.9976 13.9976 14.4235 14.4235 16.4227 16.4227 k = 0.1887-0.1089 0.1541 ( 6334 PWs) bands (ev): -66.9190 -66.9190 -37.5381 -37.5381 -34.4887 -34.4887 -33.6420 -33.6420 -33.6417 -33.6417 2.3324 2.3324 6.9416 6.9416 7.5173 7.5173 7.6304 7.6304 8.2356 8.2356 8.9482 8.9482 12.0398 12.0398 12.1848 12.1848 13.3120 13.3120 14.0027 14.0027 14.4376 14.4376 16.4981 16.4981 k = 0.1981-0.1144 0.1618 ( 6326 PWs) bands (ev): -66.9190 -66.9190 -37.5381 -37.5381 -34.4887 -34.4887 -33.6421 -33.6421 -33.6418 -33.6418 2.3904 2.3904 6.9044 6.9044 7.5336 7.5336 7.6483 7.6483 8.1890 8.1890 8.9622 8.9622 11.9275 11.9275 12.0738 12.0738 13.1287 13.1287 14.0079 14.0079 14.4624 14.4624 16.5778 16.5778 k = 0.2075-0.1198 0.1695 ( 6330 PWs) bands (ev): -66.9190 -66.9190 -37.5382 -37.5382 -34.4887 -34.4887 -33.6422 -33.6422 -33.6418 -33.6418 2.4511 2.4511 6.8668 6.8668 7.5506 7.5506 7.6675 7.6675 8.1418 8.1418 8.9767 8.9767 11.8152 11.8152 11.9627 11.9627 12.9413 12.9413 14.0130 14.0130 14.4933 14.4933 16.6618 16.6618 k = 0.2170-0.1253 0.1772 ( 6346 PWs) bands (ev): -66.9190 -66.9190 -37.5382 -37.5382 -34.4887 -34.4887 -33.6423 -33.6423 -33.6419 -33.6419 2.5145 2.5145 6.8291 6.8291 7.5681 7.5681 7.6880 7.6880 8.0942 8.0942 8.9914 8.9914 11.7030 11.7030 11.8516 11.8516 12.7524 12.7524 14.0181 14.0181 14.5277 14.5277 16.7498 16.7498 k = 0.2264-0.1307 0.1849 ( 6338 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4887 -34.4887 -33.6424 -33.6424 -33.6419 -33.6419 2.5805 2.5805 6.7915 6.7915 7.5859 7.5859 7.7098 7.7098 8.0465 8.0465 9.0064 9.0064 11.5912 11.5912 11.7409 11.7409 12.5638 12.5638 14.0232 14.0232 14.5642 14.5642 16.8418 16.8418 k = 0.2358-0.1362 0.1926 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4887 -34.4887 -33.6425 -33.6425 -33.6420 -33.6420 2.6492 2.6492 6.7540 6.7540 7.6035 7.6035 7.7329 7.7329 7.9993 7.9993 9.0217 9.0217 11.4797 11.4797 11.6306 11.6306 12.3766 12.3766 14.0282 14.0282 14.6016 14.6016 16.9376 16.9376 k = 0.2453-0.1416 0.2003 ( 6374 PWs) bands (ev): -66.9190 -66.9190 -37.5384 -37.5384 -34.4887 -34.4887 -33.6426 -33.6426 -33.6420 -33.6420 2.7205 2.7205 6.7168 6.7168 7.6197 7.6197 7.7574 7.7574 7.9535 7.9535 9.0371 9.0371 11.3687 11.3687 11.5209 11.5209 12.1916 12.1916 14.0332 14.0332 14.6395 14.6395 17.0371 17.0371 k = 0.2547-0.1471 0.2080 ( 6374 PWs) bands (ev): -66.9190 -66.9190 -37.5384 -37.5384 -34.4886 -34.4886 -33.6427 -33.6427 -33.6421 -33.6421 2.7943 2.7943 6.6800 6.6800 7.6328 7.6328 7.7833 7.7833 7.9111 7.9111 9.0526 9.0526 11.2583 11.2583 11.4119 11.4119 12.0096 12.0096 14.0381 14.0381 14.6772 14.6772 17.1401 17.1401 k = 0.2642-0.1525 0.2157 ( 6366 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4886 -34.4886 -33.6428 -33.6428 -33.6421 -33.6421 2.8706 2.8706 6.6438 6.6438 7.6390 7.6390 7.8107 7.8107 7.8757 7.8757 9.0682 9.0682 11.1485 11.1485 11.3037 11.3037 11.8311 11.8311 14.0429 14.0429 14.7145 14.7145 17.2467 17.2467 k = 0.2736-0.1580 0.2234 ( 6346 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4886 -34.4886 -33.6430 -33.6430 -33.6422 -33.6422 2.9494 2.9494 6.6082 6.6082 7.6327 7.6327 7.8395 7.8395 7.8528 7.8528 9.0838 9.0838 11.0393 11.0393 11.1965 11.1965 11.6567 11.6567 14.0477 14.0477 14.7512 14.7512 17.3566 17.3566 k = 0.2830-0.1634 0.2311 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5386 -37.5386 -34.4886 -34.4886 -33.6431 -33.6431 -33.6422 -33.6422 3.0307 3.0307 6.5734 6.5734 7.6097 7.6097 7.8466 7.8466 7.8697 7.8697 9.0994 9.0994 10.9309 10.9309 11.0902 11.0902 11.4869 11.4869 14.0523 14.0523 14.7869 14.7869 17.4698 17.4698 k = 0.2925-0.1688 0.2388 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5386 -37.5386 -34.4885 -34.4885 -33.6432 -33.6432 -33.6423 -33.6423 3.1143 3.1143 6.5394 6.5394 7.5713 7.5713 7.8554 7.8554 7.9015 7.9015 9.1148 9.1148 10.8232 10.8232 10.9851 10.9851 11.3222 11.3222 14.0569 14.0569 14.8216 14.8216 17.5862 17.5862 k = 0.3019-0.1743 0.2465 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4885 -34.4885 -33.6433 -33.6433 -33.6423 -33.6423 3.2002 3.2002 6.5063 6.5063 7.5223 7.5223 7.8746 7.8746 7.9348 7.9348 9.1301 9.1301 10.7161 10.7161 10.8811 10.8811 11.1630 11.1630 14.0613 14.0613 14.8552 14.8552 17.7056 17.7056 k = 0.3113-0.1797 0.2542 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4885 -34.4885 -33.6434 -33.6434 -33.6424 -33.6424 3.2884 3.2884 6.4743 6.4743 7.4664 7.4664 7.9002 7.9002 7.9697 7.9697 9.1451 9.1451 10.6097 10.6097 10.7784 10.7784 11.0099 11.0099 14.0657 14.0657 14.8874 14.8874 17.8281 17.8281 k = 0.3208-0.1852 0.2619 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4884 -34.4884 -33.6435 -33.6435 -33.6424 -33.6424 3.3788 3.3788 6.4433 6.4433 7.4055 7.4055 7.9301 7.9301 8.0061 8.0061 9.1598 9.1598 10.5040 10.5040 10.6769 10.6769 10.8632 10.8632 14.0698 14.0698 14.9183 14.9183 17.9534 17.9534 k = 0.3302-0.1906 0.2696 ( 6366 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4884 -34.4884 -33.6436 -33.6436 -33.6425 -33.6425 3.4713 3.4713 6.4136 6.4136 7.3406 7.3406 7.9633 7.9633 8.0441 8.0441 9.1742 9.1742 10.3990 10.3990 10.5768 10.5768 10.7235 10.7235 14.0739 14.0739 14.9478 14.9478 18.0816 18.0816 k = 0.3396-0.1961 0.2773 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5388 -37.5388 -34.4884 -34.4884 -33.6438 -33.6438 -33.6425 -33.6425 3.5658 3.5658 6.3851 6.3851 7.2720 7.2720 7.9991 7.9991 8.0838 8.0838 9.1882 9.1882 10.2949 10.2949 10.4782 10.4782 10.5909 10.5909 14.0778 14.0778 14.9758 14.9758 18.2125 18.2125 k = 0.3491-0.2015 0.2850 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4884 -34.4884 -33.6439 -33.6439 -33.6426 -33.6426 3.6622 3.6622 6.3579 6.3579 7.2002 7.2002 8.0372 8.0372 8.1250 8.1250 9.2016 9.2016 10.1921 10.1921 10.3810 10.3810 10.4656 10.4656 14.0815 14.0815 15.0023 15.0023 18.3461 18.3461 k = 0.3585-0.2070 0.2927 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4883 -34.4883 -33.6440 -33.6440 -33.6426 -33.6426 3.7603 3.7603 6.3320 6.3320 7.1250 7.1250 8.0773 8.0773 8.1679 8.1679 9.2146 9.2146 10.0908 10.0908 10.2853 10.2853 10.3474 10.3474 14.0850 14.0850 15.0273 15.0273 18.4822 18.4822 k = 0.3679-0.2124 0.3004 ( 6346 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4883 -34.4883 -33.6441 -33.6441 -33.6426 -33.6426 3.8601 3.8601 6.3076 6.3076 7.0467 7.0467 8.1194 8.1194 8.2124 8.2124 9.2269 9.2269 9.9919 9.9919 10.1912 10.1912 10.2362 10.2362 14.0884 14.0884 15.0507 15.0507 18.6208 18.6208 k = 0.3774-0.2179 0.3081 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4883 -34.4883 -33.6442 -33.6442 -33.6427 -33.6427 3.9614 3.9614 6.2847 6.2847 6.9653 6.9653 8.1633 8.1633 8.2586 8.2586 9.2385 9.2385 9.8958 9.8958 10.0988 10.0988 10.1316 10.1316 14.0916 14.0916 15.0725 15.0725 18.7619 18.7619 k = 0.3868-0.2233 0.3158 ( 6362 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4883 -34.4883 -33.6443 -33.6443 -33.6427 -33.6427 4.0638 4.0638 6.2633 6.2633 6.8808 6.8808 8.2089 8.2089 8.3065 8.3065 9.2494 9.2494 9.8032 9.8032 10.0081 10.0081 10.0333 10.0333 14.0946 14.0946 15.0927 15.0927 18.9052 18.9052 k = 0.3962-0.2288 0.3235 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4882 -34.4882 -33.6444 -33.6444 -33.6427 -33.6427 4.1672 4.1672 6.2434 6.2434 6.7936 6.7936 8.2563 8.2563 8.3560 8.3560 9.2594 9.2594 9.7145 9.7145 9.9193 9.9193 9.9409 9.9409 14.0973 14.0973 15.1113 15.1113 19.0508 19.0508 k = 0.4057-0.2342 0.3312 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4882 -34.4882 -33.6444 -33.6444 -33.6428 -33.6428 4.2713 4.2713 6.2252 6.2252 6.7040 6.7040 8.3053 8.3053 8.4072 8.4072 9.2683 9.2683 9.6300 9.6300 9.8323 9.8323 9.8546 9.8546 14.0999 14.0999 15.1283 15.1283 19.1986 19.1986 k = 0.4151-0.2397 0.3389 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4882 -34.4882 -33.6445 -33.6445 -33.6428 -33.6428 4.3755 4.3755 6.2086 6.2086 6.6123 6.6123 8.3559 8.3559 8.4600 8.4600 9.2762 9.2762 9.5495 9.5495 9.7475 9.7475 9.7745 9.7745 14.1022 14.1022 15.1436 15.1436 19.2351 19.2351 k = 0.4245-0.2451 0.3466 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4882 -34.4882 -33.6446 -33.6446 -33.6428 -33.6428 4.4795 4.4795 6.1936 6.1936 6.5192 6.5192 8.4081 8.4081 8.5144 8.5144 9.2825 9.2825 9.4727 9.4727 9.6651 9.6651 9.7009 9.7009 14.1043 14.1043 15.1574 15.1574 19.2242 19.2242 k = 0.4340-0.2505 0.3543 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4881 -34.4881 -33.6446 -33.6446 -33.6428 -33.6428 4.5823 4.5823 6.1804 6.1804 6.4256 6.4256 8.4616 8.4616 8.5704 8.5704 9.2868 9.2868 9.3991 9.3991 9.5858 9.5858 9.6346 9.6346 14.1062 14.1062 15.1695 15.1695 19.2144 19.2144 k = 0.4434-0.2560 0.3620 ( 6374 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6447 -33.6447 -33.6429 -33.6429 4.6829 4.6829 6.1689 6.1689 6.3325 6.3325 8.5164 8.5164 8.6279 8.6279 9.2878 9.2878 9.3282 9.3282 9.5109 9.5109 9.5762 9.5762 14.1078 14.1078 15.1800 15.1800 19.2058 19.2058 k = 0.4528-0.2614 0.3697 ( 6374 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6447 -33.6447 -33.6429 -33.6429 4.7797 4.7797 6.1591 6.1591 6.2418 6.2418 8.5721 8.5721 8.6867 8.6867 9.2595 9.2595 9.2823 9.2823 9.4436 9.4436 9.5263 9.5263 14.1092 14.1092 15.1888 15.1888 19.1984 19.1984 k = 0.4623-0.2669 0.3774 ( 6382 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 4.8705 4.8705 6.1510 6.1510 6.1559 6.1559 8.6282 8.6282 8.7465 8.7465 9.1930 9.1930 9.2626 9.2626 9.3921 9.3921 9.4854 9.4854 14.1104 14.1104 15.1961 15.1961 19.1924 19.1924 k = 0.4717-0.2723 0.3851 ( 6374 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 4.9516 4.9516 6.0784 6.0784 6.1448 6.1448 8.6837 8.6837 8.8069 8.8069 9.1295 9.1295 9.2214 9.2214 9.3641 9.3641 9.4535 9.4535 14.1112 14.1112 15.2017 15.2017 19.1876 19.1876 k = 0.4811-0.2778 0.3928 ( 6374 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0178 5.0178 6.0147 6.0147 6.1403 6.1403 8.7363 8.7363 8.8662 8.8662 9.0712 9.0712 9.1669 9.1669 9.3530 9.3530 9.4308 9.4308 14.1119 14.1119 15.2058 15.2058 19.1842 19.1842 k = 0.4906-0.2832 0.4005 ( 6362 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0623 5.0623 5.9717 5.9717 6.1376 6.1376 8.7796 8.7796 8.9193 8.9193 9.0246 9.0246 9.1139 9.1139 9.3491 9.3491 9.4173 9.4173 14.1123 14.1123 15.2082 15.2082 19.1821 19.1821 k = 0.5000-0.2887 0.4082 ( 6346 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0781 5.0781 5.9563 5.9563 6.1367 6.1367 8.7983 8.7983 8.9459 8.9459 9.0047 9.0047 9.0870 9.0870 9.3481 9.3481 9.4128 9.4128 14.1124 14.1124 15.2090 15.2090 19.1814 19.1814 k = 0.5000-0.2887 0.4082 ( 6346 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0781 5.0781 5.9563 5.9563 6.1367 6.1367 8.7983 8.7983 8.9459 8.9459 9.0047 9.0047 9.0870 9.0870 9.3481 9.3481 9.4128 9.4128 14.1124 14.1124 15.2090 15.2090 19.1814 19.1814 k = 0.5000-0.2780 0.4158 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0787 5.0787 5.9575 5.9575 6.1354 6.1354 8.7973 8.7973 8.9415 8.9415 8.9957 8.9957 9.0758 9.0758 9.3564 9.3564 9.4305 9.4305 14.1145 14.1145 15.2114 15.2114 19.1682 19.1682 k = 0.5000-0.2673 0.4234 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0807 5.0807 5.9611 5.9611 6.1315 6.1315 8.7928 8.7928 8.9180 8.9180 8.9759 8.9759 9.0621 9.0621 9.3651 9.3651 9.4845 9.4845 14.1207 14.1207 15.2185 15.2185 19.1290 19.1290 k = 0.5000-0.2566 0.4309 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0840 5.0840 5.9672 5.9672 6.1249 6.1249 8.7767 8.7767 8.8708 8.8708 8.9660 8.9660 9.0580 9.0580 9.3687 9.3687 9.5602 9.5602 14.1312 14.1312 15.2305 15.2305 19.0662 19.0662 k = 0.5000-0.2459 0.4385 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0885 5.0885 5.9756 5.9756 6.1159 6.1159 8.7277 8.7277 8.8388 8.8388 8.9625 8.9625 9.0592 9.0592 9.3705 9.3705 9.6445 9.6445 14.1459 14.1459 15.2472 15.2472 18.9827 18.9827 k = 0.5000-0.2352 0.4460 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0944 5.0944 5.9865 5.9865 6.1045 6.1045 8.6497 8.6497 8.8293 8.8293 8.9607 8.9607 9.0628 9.0628 9.3716 9.3716 9.7321 9.7321 14.1648 14.1648 15.2689 15.2689 18.8817 18.8817 k = 0.5000-0.2245 0.4536 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.1016 5.1016 5.9998 5.9998 6.0907 6.0907 8.5614 8.5614 8.8273 8.8273 8.9597 8.9597 9.0677 9.0677 9.3726 9.3726 9.8206 9.8206 14.1881 14.1881 15.2955 15.2955 18.7665 18.7665 k = 0.5000-0.2138 0.4612 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.1100 5.1100 6.0155 6.0155 6.0747 6.0747 8.4697 8.4697 8.8280 8.8280 8.9592 8.9592 9.0735 9.0735 9.3735 9.3735 9.9086 9.9086 14.2157 14.2157 15.3270 15.3270 18.6400 18.6400 k = 0.5000-0.2031 0.4687 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.1197 5.1197 6.0335 6.0335 6.0566 6.0566 8.3766 8.3766 8.8298 8.8298 8.9590 8.9590 9.0798 9.0798 9.3745 9.3745 9.9955 9.9955 14.2477 14.2477 15.3636 15.3636 18.5045 18.5045 k = 0.5000-0.1925 0.4763 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6447 -33.6447 -33.6430 -33.6430 5.1307 5.1307 6.0363 6.0363 6.0543 6.0543 8.2833 8.2833 8.8323 8.8323 8.9592 8.9592 9.0864 9.0864 9.3755 9.3755 10.0805 10.0805 14.2842 14.2842 15.4052 15.4052 18.3624 18.3624 k = 0.5000-0.1818 0.4838 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6447 -33.6447 -33.6430 -33.6430 5.1429 5.1429 6.0146 6.0146 6.0772 6.0772 8.1903 8.1903 8.8352 8.8352 8.9599 8.9599 9.0930 9.0930 9.3765 9.3765 10.1631 10.1631 14.3253 14.3253 15.4521 15.4521 18.2152 18.2152 k = 0.5000-0.1711 0.4914 ( 6374 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6447 -33.6447 -33.6430 -33.6430 5.1563 5.1563 5.9912 5.9912 6.1025 6.1025 8.0980 8.0980 8.8383 8.8383 8.9609 8.9609 9.0996 9.0996 9.3777 9.3777 10.2430 10.2430 14.3709 14.3709 15.5040 15.5040 18.0645 18.0645 k = 0.5000-0.1604 0.4990 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6447 -33.6447 -33.6430 -33.6430 5.1710 5.1710 5.9663 5.9663 6.1302 6.1302 8.0066 8.0066 8.8416 8.8416 8.9623 8.9623 9.1060 9.1060 9.3789 9.3789 10.3197 10.3197 14.4212 14.4212 15.5612 15.5612 17.9114 17.9114 k = 0.5000-0.1497 0.5065 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.1869 5.1869 5.9401 5.9401 6.1603 6.1603 7.9163 7.9163 8.8449 8.8449 8.9641 8.9641 9.1121 9.1121 9.3801 9.3801 10.3929 10.3929 14.4763 14.4763 15.6235 15.6235 17.7569 17.7569 k = 0.5000-0.1390 0.5141 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.2039 5.2039 5.9127 5.9127 6.1928 6.1928 7.8273 7.8273 8.8481 8.8481 8.9663 8.9663 9.1177 9.1177 9.3814 9.3814 10.4624 10.4624 14.5361 14.5361 15.6909 15.6909 17.6018 17.6018 k = 0.5000-0.1283 0.5217 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.2221 5.2221 5.8844 5.8844 6.2276 6.2276 7.7398 7.7398 8.8513 8.8513 8.9689 8.9689 9.1229 9.1229 9.3827 9.3827 10.5277 10.5277 14.6007 14.6007 15.7632 15.7632 17.4468 17.4468 k = 0.5000-0.1176 0.5292 ( 6376 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.2414 5.2414 5.8553 5.8553 6.2649 6.2649 7.6537 7.6537 8.8542 8.8542 8.9717 8.9717 9.1275 9.1275 9.3841 9.3841 10.5888 10.5888 14.6701 14.6701 15.8402 15.8402 17.2926 17.2926 k = 0.5000-0.1069 0.5368 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6445 -33.6445 -33.6430 -33.6430 5.2618 5.2618 5.8255 5.8255 6.3045 6.3045 7.5693 7.5693 8.8570 8.8570 8.9748 8.9748 9.1316 9.1316 9.3854 9.3854 10.6452 10.6452 14.7443 14.7443 15.9216 15.9216 17.1396 17.1396 k = 0.5000-0.0962 0.5443 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6445 -33.6445 -33.6430 -33.6430 5.2832 5.2832 5.7952 5.7952 6.3465 6.3465 7.4866 7.4866 8.8595 8.8595 8.9781 8.9781 9.1352 9.1352 9.3866 9.3866 10.6968 10.6968 14.8233 14.8233 16.0068 16.0068 16.9882 16.9882 k = 0.5000-0.0855 0.5519 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6445 -33.6445 -33.6430 -33.6430 5.3057 5.3057 5.7645 5.7645 6.3907 6.3907 7.4057 7.4057 8.8617 8.8617 8.9814 8.9814 9.1381 9.1381 9.3878 9.3878 10.7435 10.7435 14.9072 14.9072 16.0951 16.0951 16.8390 16.8390 k = 0.5000-0.0748 0.5595 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6445 -33.6445 -33.6431 -33.6431 5.3292 5.3292 5.7335 5.7335 6.4374 6.4374 7.3267 7.3267 8.8637 8.8637 8.9848 8.9848 9.1406 9.1406 9.3889 9.3889 10.7850 10.7850 14.9958 14.9958 16.1855 16.1855 16.6925 16.6925 k = 0.5000-0.0642 0.5670 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.3535 5.3535 5.7025 5.7025 6.4863 6.4863 7.2496 7.2496 8.8653 8.8653 8.9880 8.9880 9.1426 9.1426 9.3899 9.3899 10.8212 10.8212 15.0891 15.0891 16.2755 16.2755 16.5498 16.5498 k = 0.5000-0.0535 0.5746 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.3788 5.3788 5.6715 5.6715 6.5375 6.5375 7.1745 7.1745 8.8667 8.8667 8.9909 8.9909 9.1441 9.1441 9.3907 9.3907 10.8520 10.8520 15.1871 15.1871 16.3501 16.3501 16.4245 16.4245 k = 0.5000-0.0428 0.5821 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4049 5.4049 5.6406 5.6406 6.5909 6.5909 7.1014 7.1014 8.8679 8.8679 8.9935 8.9935 9.1452 9.1452 9.3915 9.3915 10.8774 10.8774 15.2896 15.2896 16.2600 16.2600 16.4629 16.4629 k = 0.5000-0.0321 0.5897 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4316 5.4316 5.6101 5.6101 6.6466 6.6466 7.0305 7.0305 8.8687 8.8687 8.9957 8.9957 9.1461 9.1461 9.3920 9.3920 10.8972 10.8972 15.3965 15.3965 16.1278 16.1278 16.5387 16.5387 k = 0.5000-0.0214 0.5973 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4588 5.4588 5.5802 5.5802 6.7042 6.7042 6.9620 6.9620 8.8693 8.8693 8.9973 8.9973 9.1466 9.1466 9.3924 9.3924 10.9113 10.9113 15.5076 15.5076 15.9974 15.9974 16.6023 16.6023 k = 0.5000-0.0107 0.6048 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4855 5.4855 5.5518 5.5518 6.7630 6.7630 6.8965 6.8965 8.8697 8.8697 8.9983 8.9983 9.1469 9.1469 9.3927 9.3927 10.9198 10.9198 15.6222 15.6222 15.8710 15.8710 16.6452 16.6452 k = 0.5000-0.0000 0.6124 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.5030 5.5030 5.5337 5.5337 6.8087 6.8087 6.8487 6.8487 8.8698 8.8698 8.9986 8.9986 9.1470 9.1470 9.3928 9.3928 10.9227 10.9227 15.7198 15.7198 15.7695 15.7695 16.6604 16.6604 k = 0.5000-0.0000 0.6124 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.5030 5.5030 5.5337 5.5337 6.8087 6.8087 6.8487 6.8487 8.8698 8.8698 8.9986 8.9986 9.1470 9.1470 9.3928 9.3928 10.9227 10.9227 15.7198 15.7198 15.7695 15.7695 16.6604 16.6604 k = 0.4934 0.0114 0.6124 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4925 5.4925 5.5407 5.5407 6.7817 6.7817 6.8814 6.8814 8.8656 8.8656 8.9995 8.9995 9.1462 9.1462 9.3972 9.3972 10.9220 10.9220 15.6526 15.6526 15.8361 15.8361 16.6551 16.6551 k = 0.4868 0.0228 0.6124 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4752 5.4752 5.5479 5.5479 6.7441 6.7441 6.9354 6.9354 8.8543 8.8543 9.0006 9.0006 9.1436 9.1436 9.4108 9.4108 10.9198 10.9198 15.5622 15.5622 15.9252 15.9252 16.6406 16.6406 k = 0.4803 0.0342 0.6124 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4576 5.4576 5.5499 5.5499 6.7084 6.7084 6.9972 6.9972 8.8387 8.8387 8.9979 8.9979 9.1412 9.1412 9.4330 9.4330 10.9157 10.9157 15.4683 15.4683 16.0181 16.0181 16.6200 16.6200 k = 0.4737 0.0456 0.6124 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4406 5.4406 5.5471 5.5471 6.6753 6.6753 7.0646 7.0646 8.8207 8.8207 8.9876 8.9876 9.1419 9.1419 9.4624 9.4624 10.9095 10.9095 15.3728 15.3728 16.1138 16.1138 16.5958 16.5958 k = 0.4671 0.0570 0.6124 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4245 5.4245 5.5402 5.5402 6.6449 6.6449 7.1363 7.1363 8.8017 8.8017 8.9686 8.9686 9.1471 9.1471 9.4976 9.4976 10.9008 10.9008 15.2769 15.2769 16.2119 16.2119 16.5704 16.5704 k = 0.4605 0.0684 0.6124 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4094 5.4094 5.5304 5.5304 6.6172 6.6172 7.2111 7.2111 8.7823 8.7823 8.9424 8.9424 9.1559 9.1559 9.5372 9.5372 10.8895 10.8895 15.1820 15.1820 16.3120 16.3120 16.5456 16.5456 k = 0.4539 0.0798 0.6124 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.3953 5.3953 5.5185 5.5185 6.5921 6.5921 7.2881 7.2881 8.7626 8.7626 8.9111 8.9111 9.1668 9.1668 9.5804 9.5804 10.8753 10.8753 15.0893 15.0893 16.4114 16.4114 16.5247 16.5247 k = 0.4474 0.0912 0.6124 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3823 5.3823 5.5053 5.5053 6.5694 6.5694 7.3663 7.3663 8.7423 8.7423 8.8768 8.8768 9.1786 9.1786 9.6264 9.6264 10.8582 10.8582 15.0000 15.0000 16.4764 16.4764 16.5418 16.5418 k = 0.4408 0.1026 0.6124 ( 6384 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3703 5.3703 5.4914 5.4914 6.5491 6.5491 7.4452 7.4452 8.7206 8.7206 8.8416 8.8416 9.1904 9.1904 9.6746 9.6746 10.8382 10.8382 14.9151 14.9151 16.4667 16.4667 16.6374 16.6374 k = 0.4342 0.1140 0.6124 ( 6386 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3594 5.3594 5.4775 5.4775 6.5310 6.5310 7.5238 7.5238 8.6959 8.6959 8.8079 8.8079 9.2017 9.2017 9.7243 9.7243 10.8153 10.8153 14.8355 14.8355 16.4493 16.4493 16.7442 16.7442 k = 0.4276 0.1253 0.6124 ( 6382 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3496 5.3496 5.4641 5.4641 6.5150 6.5150 7.6018 7.6018 8.6662 8.6662 8.7782 8.7782 9.2123 9.2123 9.7750 9.7750 10.7897 10.7897 14.7621 14.7621 16.4326 16.4326 16.8530 16.8530 k = 0.4211 0.1367 0.6124 ( 6387 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3410 5.3410 5.4514 5.4514 6.5011 6.5011 7.6785 7.6785 8.6302 8.6302 8.7543 8.7543 9.2219 9.2219 9.8258 9.8258 10.7618 10.7618 14.6956 14.6956 16.4178 16.4178 16.9622 16.9622 k = 0.4145 0.1481 0.6124 ( 6383 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3334 5.3334 5.4399 5.4399 6.4892 6.4892 7.7534 7.7534 8.5885 8.5885 8.7362 8.7362 9.2303 9.2303 9.8759 9.8759 10.7323 10.7323 14.6367 14.6367 16.4049 16.4049 17.0703 17.0703 k = 0.4079 0.1595 0.6124 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3270 5.3270 5.4298 5.4298 6.4792 6.4792 7.8257 7.8257 8.5428 8.5428 8.7226 8.7226 9.2376 9.2376 9.9240 9.9240 10.7019 10.7019 14.5860 14.5860 16.3940 16.3940 17.1755 17.1755 k = 0.4013 0.1709 0.6124 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3218 5.3218 5.4212 5.4212 6.4711 6.4711 7.8944 7.8944 8.4949 8.4949 8.7124 8.7124 9.2436 9.2436 9.9688 9.9688 10.6720 10.6720 14.5439 14.5439 16.3851 16.3851 17.2750 17.2750 k = 0.3947 0.1823 0.6124 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3177 5.3177 5.4144 5.4144 6.4648 6.4648 7.9581 7.9581 8.4472 8.4472 8.7050 8.7050 9.2483 9.2483 10.0081 10.0081 10.6444 10.6444 14.5107 14.5107 16.3782 16.3782 17.3646 17.3646 k = 0.3882 0.1937 0.6124 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3148 5.3148 5.4095 5.4095 6.4603 6.4603 8.0135 8.0135 8.4030 8.4030 8.7000 8.7000 9.2516 9.2516 10.0394 10.0394 10.6216 10.6216 14.4869 14.4869 16.3734 16.3734 17.4381 17.4381 k = 0.3816 0.2051 0.6124 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3130 5.3130 5.4065 5.4065 6.4577 6.4577 8.0543 8.0543 8.3689 8.3689 8.6970 8.6970 9.2536 9.2536 10.0598 10.0598 10.6062 10.6062 14.4725 14.4725 16.3704 16.3704 17.4877 17.4877 k = 0.3750 0.2165 0.6124 ( 6343 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3124 5.3124 5.4055 5.4055 6.4568 6.4568 8.0701 8.0701 8.3553 8.3553 8.6960 8.6960 9.2543 9.2543 10.0670 10.0670 10.6008 10.6008 14.4676 14.4676 16.3695 16.3695 17.5054 17.5054 k = 0.3750 0.2165 0.6124 ( 6343 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3124 5.3124 5.4055 5.4055 6.4568 6.4568 8.0701 8.0701 8.3553 8.3553 8.6960 8.6960 9.2543 9.2543 10.0670 10.0670 10.6008 10.6008 14.4676 14.4676 16.3695 16.3695 17.5054 17.5054 k = 0.3683 0.2126 0.6014 ( 6353 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6430 -33.6430 5.3138 5.3138 5.3472 5.3472 6.5017 6.5017 8.0657 8.0657 8.3318 8.3318 8.6755 8.6755 9.2920 9.2920 10.0634 10.0634 10.6905 10.6905 14.4826 14.4826 16.5034 16.5034 17.4189 17.4189 k = 0.3616 0.2088 0.5905 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6443 -33.6443 -33.6429 -33.6429 5.2336 5.2336 5.3685 5.3685 6.5472 6.5472 8.0672 8.0672 8.3112 8.3112 8.6540 8.6540 9.3318 9.3318 10.0561 10.0561 10.7817 10.7817 14.4967 14.4967 16.6416 16.6416 17.3354 17.3354 k = 0.3549 0.2049 0.5796 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 5.1455 5.1455 5.3960 5.3960 6.5929 6.5929 8.0741 8.0741 8.2942 8.2942 8.6315 8.6315 9.3737 9.3737 10.0454 10.0454 10.8745 10.8745 14.5099 14.5099 16.7832 16.7832 17.2552 17.2552 k = 0.3482 0.2010 0.5686 ( 6365 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 5.0544 5.0544 5.4252 5.4252 6.6386 6.6386 8.0849 8.0849 8.2817 8.2817 8.6082 8.6082 9.4175 9.4175 10.0317 10.0317 10.9687 10.9687 14.5226 14.5226 16.9269 16.9269 17.1783 17.1783 k = 0.3415 0.1972 0.5577 ( 6369 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4884 -34.4884 -33.6441 -33.6441 -33.6429 -33.6429 4.9611 4.9611 5.4558 5.4558 6.6840 6.6840 8.0978 8.0978 8.2758 8.2758 8.5841 8.5841 9.4633 9.4633 10.0155 10.0155 11.0645 11.0645 14.5348 14.5348 17.0682 17.0682 17.1083 17.1083 k = 0.3348 0.1933 0.5468 ( 6369 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6429 -33.6429 4.8661 4.8661 5.4876 5.4876 6.7289 6.7289 8.1099 8.1099 8.2790 8.2790 8.5593 8.5593 9.5107 9.5107 9.9972 9.9972 11.1618 11.1618 14.5467 14.5467 17.0318 17.0318 17.2190 17.2190 k = 0.3281 0.1894 0.5358 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6440 -33.6440 -33.6429 -33.6429 4.7698 4.7698 5.5206 5.5206 6.7729 6.7729 8.1181 8.1181 8.2940 8.2940 8.5340 8.5340 9.5594 9.5594 9.9776 9.9776 11.2606 11.2606 14.5584 14.5584 16.9644 16.9644 17.3624 17.3624 k = 0.3214 0.1856 0.5249 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6440 -33.6440 -33.6428 -33.6428 4.6724 4.6724 5.5548 5.5548 6.8160 6.8160 8.1214 8.1214 8.3212 8.3212 8.5088 8.5088 9.6088 9.6088 9.9576 9.9576 11.3608 11.3608 14.5701 14.5701 16.8998 16.8998 17.4799 17.4799 k = 0.3147 0.1817 0.5140 ( 6373 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6439 -33.6439 -33.6428 -33.6428 4.5744 4.5744 5.5902 5.5902 6.8578 6.8578 8.1208 8.1208 8.3580 8.3580 8.4848 8.4848 9.6577 9.6577 9.9391 9.9391 11.4625 11.4625 14.5818 14.5818 16.8381 16.8381 17.3504 17.3504 k = 0.3080 0.1778 0.5030 ( 6373 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6428 -33.6428 4.4760 4.4760 5.6267 5.6267 6.8984 6.8984 8.1180 8.1180 8.3956 8.3956 8.4688 8.4688 9.7031 9.7031 9.9252 9.9252 11.5657 11.5657 14.5937 14.5937 16.7794 16.7794 17.2224 17.2224 k = 0.3013 0.1740 0.4921 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6438 -33.6438 -33.6427 -33.6427 4.3775 4.3775 5.6643 5.6643 6.9375 6.9375 8.1146 8.1146 8.4034 8.4034 8.4896 8.4896 9.7391 9.7391 9.9227 9.9227 11.6703 11.6703 14.6059 14.6059 16.7235 16.7235 17.0966 17.0966 k = 0.2946 0.1701 0.4811 ( 6375 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6438 -33.6438 -33.6427 -33.6427 4.2790 4.2790 5.7030 5.7030 6.9752 6.9752 8.1112 8.1112 8.3832 8.3832 8.5439 8.5439 9.7572 9.7572 9.9406 9.9406 11.7764 11.7764 14.6184 14.6184 16.6705 16.6705 16.9728 16.9728 k = 0.2879 0.1662 0.4702 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6437 -33.6437 -33.6426 -33.6426 4.1810 4.1810 5.7428 5.7428 7.0114 7.0114 8.1085 8.1085 8.3569 8.3569 8.6085 8.6085 9.7569 9.7569 9.9802 9.9802 11.8839 11.8839 14.6314 14.6314 16.6202 16.6202 16.8513 16.8513 k = 0.2812 0.1624 0.4593 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6437 -33.6437 -33.6426 -33.6426 4.0835 4.0835 5.7836 5.7836 7.0462 7.0462 8.1065 8.1065 8.3290 8.3290 8.6776 8.6776 9.7468 9.7468 10.0341 10.0341 11.9929 11.9929 14.6450 14.6450 16.5724 16.5724 16.7322 16.7322 k = 0.2746 0.1585 0.4483 ( 6383 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6436 -33.6436 -33.6426 -33.6426 3.9867 3.9867 5.8254 5.8254 7.0795 7.0795 8.1054 8.1054 8.3007 8.3007 8.7486 8.7486 9.7346 9.7346 10.0959 10.0959 12.1033 12.1033 14.6593 14.6593 16.5266 16.5266 16.6158 16.6158 k = 0.2679 0.1546 0.4374 ( 6383 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4887 -34.4887 -33.6436 -33.6436 -33.6425 -33.6425 3.8908 3.8908 5.8681 5.8681 7.1113 7.1113 8.1050 8.1050 8.2726 8.2726 8.8192 8.8192 9.7252 9.7252 10.1629 10.1629 12.2151 12.2151 14.6742 14.6742 16.4773 16.4773 16.5077 16.5077 k = 0.2612 0.1508 0.4265 ( 6375 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4887 -34.4887 -33.6435 -33.6435 -33.6425 -33.6425 3.7959 3.7959 5.9117 5.9117 7.1418 7.1418 8.1050 8.1050 8.2453 8.2453 8.8865 8.8865 9.7223 9.7223 10.2335 10.2335 12.3284 12.3284 14.6900 14.6900 16.3823 16.3823 16.4500 16.4500 k = 0.2545 0.1469 0.4155 ( 6375 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4887 -34.4887 -33.6434 -33.6434 -33.6424 -33.6424 3.7023 3.7023 5.9563 5.9563 7.1709 7.1709 8.1043 8.1043 8.2199 8.2199 8.9471 8.9471 9.7298 9.7298 10.3073 10.3073 12.4430 12.4430 14.7066 14.7066 16.2731 16.2731 16.4111 16.4111 k = 0.2478 0.1430 0.4046 ( 6375 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4887 -34.4887 -33.6434 -33.6434 -33.6424 -33.6424 3.6100 3.6100 6.0016 6.0016 7.1986 7.1986 8.1010 8.1010 8.1985 8.1985 8.9975 8.9975 9.7515 9.7515 10.3838 10.3838 12.5591 12.5591 14.7242 14.7242 16.1651 16.1651 16.3756 16.3756 k = 0.2411 0.1392 0.3937 ( 6375 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4887 -34.4887 -33.6433 -33.6433 -33.6423 -33.6423 3.5191 3.5191 6.0478 6.0478 7.2249 7.2249 8.0921 8.0921 8.1841 8.1841 9.0349 9.0349 9.7903 9.7903 10.4628 10.4628 12.6765 12.6765 14.7429 14.7429 16.0590 16.0590 16.3425 16.3425 k = 0.2344 0.1353 0.3827 ( 6371 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4887 -34.4887 -33.6432 -33.6432 -33.6422 -33.6422 3.4298 3.4298 6.0946 6.0946 7.2500 7.2500 8.0759 8.0759 8.1787 8.1787 9.0580 9.0580 9.8474 9.8474 10.5443 10.5443 12.7952 12.7952 14.7626 14.7626 15.9550 15.9550 16.3116 16.3116 k = 0.2277 0.1315 0.3718 ( 6371 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4888 -34.4888 -33.6432 -33.6432 -33.6422 -33.6422 3.3421 3.3421 6.1421 6.1421 7.2736 7.2736 8.0536 8.0536 8.1809 8.1809 9.0679 9.0679 9.9218 9.9218 10.6280 10.6280 12.9154 12.9154 14.7835 14.7835 15.8531 15.8531 16.2824 16.2824 k = 0.2210 0.1276 0.3609 ( 6353 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4888 -34.4888 -33.6431 -33.6431 -33.6421 -33.6421 3.2562 3.2562 6.1903 6.1903 7.2959 7.2959 8.0280 8.0280 8.1881 8.1881 9.0670 9.0670 10.0110 10.0110 10.7140 10.7140 13.0368 13.0368 14.8057 14.8057 15.7535 15.7535 16.2537 16.2537 k = 0.2143 0.1237 0.3499 ( 6349 PWs) bands (ev): -66.9190 -66.9190 -37.5386 -37.5386 -34.4888 -34.4888 -33.6430 -33.6430 -33.6421 -33.6421 3.1721 3.1721 6.2390 6.2390 7.3168 7.3168 8.0007 8.0007 8.1987 8.1987 9.0582 9.0582 10.1122 10.1122 10.8022 10.8022 13.1596 13.1596 14.8291 14.8291 15.6561 15.6561 16.2024 16.2024 k = 0.2076 0.1199 0.3390 ( 6357 PWs) bands (ev): -66.9190 -66.9190 -37.5386 -37.5386 -34.4888 -34.4888 -33.6430 -33.6430 -33.6420 -33.6420 3.0899 3.0899 6.2881 6.2881 7.3363 7.3363 7.9727 7.9727 8.2116 8.2116 9.0438 9.0438 10.2228 10.2228 10.8925 10.8925 13.2836 13.2836 14.8540 14.8540 15.5608 15.5608 16.0828 16.0828 k = 0.2009 0.1160 0.3281 ( 6343 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4888 -34.4888 -33.6429 -33.6429 -33.6420 -33.6420 3.0097 3.0097 6.3377 6.3377 7.3543 7.3543 7.9444 7.9444 8.2266 8.2266 9.0258 9.0258 10.3408 10.3408 10.9849 10.9849 13.4089 13.4089 14.8802 14.8802 15.4678 15.4678 15.9567 15.9567 k = 0.1942 0.1121 0.3171 ( 6355 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4888 -34.4888 -33.6428 -33.6428 -33.6419 -33.6419 2.9315 2.9315 6.3875 6.3875 7.3707 7.3707 7.9162 7.9162 8.2431 8.2431 9.0058 9.0058 10.4648 10.4648 11.0793 11.0793 13.5354 13.5354 14.9079 14.9079 15.3769 15.3769 15.8317 15.8317 k = 0.1875 0.1083 0.3062 ( 6355 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4888 -34.4888 -33.6427 -33.6427 -33.6419 -33.6419 2.8555 2.8555 6.4377 6.4377 7.3856 7.3856 7.8882 7.8882 8.2612 8.2612 8.9847 8.9847 10.5934 10.5934 11.1757 11.1757 13.6631 13.6631 14.9371 14.9371 15.2883 15.2883 15.7085 15.7085 k = 0.1808 0.1044 0.2953 ( 6363 PWs) bands (ev): -66.9190 -66.9190 -37.5384 -37.5384 -34.4888 -34.4888 -33.6426 -33.6426 -33.6418 -33.6418 2.7817 2.7817 6.4879 6.4879 7.3989 7.3989 7.8607 7.8607 8.2805 8.2805 8.9634 8.9634 10.7257 10.7257 11.2741 11.2741 13.7918 13.7918 14.9679 14.9679 15.2019 15.2019 15.5873 15.5873 k = 0.1741 0.1005 0.2843 ( 6351 PWs) bands (ev): -66.9190 -66.9190 -37.5384 -37.5384 -34.4888 -34.4888 -33.6426 -33.6426 -33.6418 -33.6418 2.7101 2.7101 6.5382 6.5382 7.4106 7.4106 7.8337 7.8337 8.3010 8.3010 8.9425 8.9425 10.8611 10.8611 11.3743 11.3743 13.9216 13.9216 15.0000 15.0000 15.1178 15.1178 15.4685 15.4685 k = 0.1674 0.0967 0.2734 ( 6357 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4888 -34.4888 -33.6425 -33.6425 -33.6417 -33.6417 2.6408 2.6408 6.5884 6.5884 7.4206 7.4206 7.8073 7.8073 8.3225 8.3225 8.9223 8.9223 10.9989 10.9989 11.4764 11.4764 14.0524 14.0524 15.0280 15.0280 15.0414 15.0414 15.3524 15.3524 k = 0.1607 0.0928 0.2624 ( 6357 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4888 -34.4888 -33.6424 -33.6424 -33.6417 -33.6417 2.5738 2.5738 6.6384 6.6384 7.4290 7.4290 7.7816 7.7816 8.3450 8.3450 8.9032 8.9032 11.1385 11.1385 11.5802 11.5802 14.1840 14.1840 14.9551 14.9551 15.0687 15.0687 15.2401 15.2401 k = 0.1540 0.0889 0.2515 ( 6355 PWs) bands (ev): -66.9190 -66.9190 -37.5382 -37.5382 -34.4888 -34.4888 -33.6423 -33.6423 -33.6417 -33.6417 2.5092 2.5092 6.6881 6.6881 7.4356 7.4356 7.7567 7.7567 8.3683 8.3683 8.8855 8.8855 11.2794 11.2794 11.6856 11.6856 14.3161 14.3161 14.8777 14.8777 15.0913 15.0913 15.1441 15.1441 k = 0.1473 0.0851 0.2406 ( 6347 PWs) bands (ev): -66.9190 -66.9190 -37.5382 -37.5382 -34.4888 -34.4888 -33.6422 -33.6422 -33.6416 -33.6416 2.4471 2.4471 6.7374 6.7374 7.4406 7.4406 7.7327 7.7327 8.3924 8.3924 8.8693 8.8693 11.4211 11.4211 11.7926 11.7926 14.4484 14.4484 14.8024 14.8024 15.0127 15.0127 15.1544 15.1544 k = 0.1406 0.0812 0.2296 ( 6341 PWs) bands (ev): -66.9190 -66.9190 -37.5381 -37.5381 -34.4888 -34.4888 -33.6422 -33.6422 -33.6416 -33.6416 2.3875 2.3875 6.7860 6.7860 7.4440 7.4440 7.7095 7.7095 8.4169 8.4169 8.8548 8.8548 11.5632 11.5632 11.9010 11.9010 14.5792 14.5792 14.7298 14.7298 14.9121 14.9121 15.1934 15.1934 k = 0.1339 0.0773 0.2187 ( 6337 PWs) bands (ev): -66.9190 -66.9190 -37.5381 -37.5381 -34.4888 -34.4888 -33.6421 -33.6421 -33.6415 -33.6415 2.3304 2.3304 6.8340 6.8340 7.4458 7.4458 7.6874 7.6874 8.4420 8.4420 8.8419 8.8419 11.7051 11.7051 12.0108 12.0108 14.6545 14.6545 14.7034 14.7034 14.8251 14.8251 15.2358 15.2358 k = 0.1272 0.0735 0.2078 ( 6317 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4888 -34.4888 -33.6420 -33.6420 -33.6415 -33.6415 2.2758 2.2758 6.8811 6.8811 7.4462 7.4462 7.6663 7.6663 8.4673 8.4673 8.8306 8.8306 11.8464 11.8464 12.1218 12.1218 14.5881 14.5881 14.6916 14.6916 14.8707 14.8707 15.2804 15.2804 k = 0.1205 0.0696 0.1968 ( 6335 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4888 -34.4888 -33.6419 -33.6419 -33.6415 -33.6415 2.2239 2.2239 6.9271 6.9271 7.4451 7.4451 7.6463 7.6463 8.4929 8.4929 8.8210 8.8210 11.9866 11.9866 12.2338 12.2338 14.5213 14.5213 14.6044 14.6044 14.9976 14.9976 15.3271 15.3271 k = 0.1138 0.0657 0.1859 ( 6339 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4888 -34.4888 -33.6419 -33.6419 -33.6414 -33.6414 2.1745 2.1745 6.9720 6.9720 7.4428 7.4428 7.6275 7.6275 8.5184 8.5184 8.8130 8.8130 12.1251 12.1251 12.3465 12.3465 14.4556 14.4556 14.5167 14.5167 15.1293 15.1293 15.3762 15.3762 k = 0.1071 0.0619 0.1750 ( 6349 PWs) bands (ev): -66.9190 -66.9190 -37.5379 -37.5379 -34.4888 -34.4888 -33.6418 -33.6418 -33.6414 -33.6414 2.1279 2.1279 7.0154 7.0154 7.4394 7.4394 7.6098 7.6098 8.5439 8.5439 8.8064 8.8064 12.2614 12.2614 12.4598 12.4598 14.3893 14.3893 14.4348 14.4348 15.2598 15.2598 15.4286 15.4286 k = 0.1004 0.0580 0.1640 ( 6341 PWs) bands (ev): -66.9190 -66.9190 -37.5379 -37.5379 -34.4888 -34.4888 -33.6417 -33.6417 -33.6414 -33.6414 2.0839 2.0839 7.0572 7.0572 7.4351 7.4351 7.5935 7.5935 8.5690 8.5690 8.8013 8.8013 12.3949 12.3949 12.5733 12.5733 14.3193 14.3193 14.3629 14.3629 15.3832 15.3832 15.4890 15.4890 k = 0.0938 0.0541 0.1531 ( 6343 PWs) bands (ev): -66.9190 -66.9190 -37.5378 -37.5378 -34.4888 -34.4888 -33.6416 -33.6416 -33.6413 -33.6413 2.0426 2.0426 7.0973 7.0973 7.4299 7.4299 7.5784 7.5784 8.5937 8.5937 8.7973 8.7973 12.5252 12.5252 12.6865 12.6865 14.2459 14.2459 14.3013 14.3013 15.4820 15.4820 15.5739 15.5739 k = 0.0871 0.0503 0.1422 ( 6349 PWs) bands (ev): -66.9191 -66.9191 -37.5378 -37.5378 -34.4888 -34.4888 -33.6416 -33.6416 -33.6413 -33.6413 2.0041 2.0041 7.1353 7.1353 7.4242 7.4242 7.5647 7.5647 8.6177 8.6177 8.7944 8.7944 12.6515 12.6515 12.7989 12.7989 14.1732 14.1732 14.2465 14.2465 15.5495 15.5495 15.6889 15.6889 k = 0.0804 0.0464 0.1312 ( 6339 PWs) bands (ev): -66.9191 -66.9191 -37.5378 -37.5378 -34.4887 -34.4887 -33.6415 -33.6415 -33.6413 -33.6413 1.9683 1.9683 7.1711 7.1711 7.4180 7.4180 7.5524 7.5524 8.6410 8.6410 8.7925 8.7925 12.7735 12.7735 12.9098 12.9098 14.1035 14.1035 14.1964 14.1964 15.6054 15.6054 15.8128 15.8128 k = 0.0737 0.0425 0.1203 ( 6341 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6415 -33.6415 -33.6413 -33.6413 1.9353 1.9353 7.2043 7.2043 7.4117 7.4117 7.5415 7.5415 8.6632 8.6632 8.7914 8.7914 12.8905 12.8905 13.0183 13.0183 14.0380 14.0380 14.1503 14.1503 15.6575 15.6575 15.9342 15.9342 k = 0.0670 0.0387 0.1094 ( 6335 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6414 -33.6414 -33.6412 -33.6412 1.9052 1.9052 7.2349 7.2349 7.4052 7.4052 7.5321 7.5321 8.6843 8.6843 8.7909 8.7909 13.0019 13.0019 13.1233 13.1233 13.9774 13.9774 14.1082 14.1082 15.7070 15.7070 15.9991 15.9991 k = 0.0603 0.0348 0.0984 ( 6323 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6414 -33.6414 -33.6412 -33.6412 1.8778 1.8778 7.2625 7.2625 7.3989 7.3989 7.5243 7.5243 8.7041 8.7041 8.7909 8.7909 13.1070 13.1070 13.2237 13.2237 13.9219 13.9219 14.0700 14.0700 15.7539 15.7539 15.9990 15.9990 k = 0.0536 0.0309 0.0875 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6413 -33.6413 -33.6412 -33.6412 1.8533 1.8533 7.2869 7.2869 7.3928 7.3928 7.5181 7.5181 8.7223 8.7223 8.7914 8.7914 13.2049 13.2049 13.3183 13.3183 13.8720 13.8720 14.0361 14.0361 15.7976 15.7976 15.9957 15.9957 k = 0.0469 0.0271 0.0765 ( 6337 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6413 -33.6413 -33.6412 -33.6412 1.8316 1.8316 7.3080 7.3080 7.3872 7.3872 7.5136 7.5136 8.7389 8.7389 8.7920 8.7920 13.2945 13.2945 13.4058 13.4058 13.8280 13.8280 14.0066 14.0066 15.8371 15.8371 15.9909 15.9909 k = 0.0402 0.0232 0.0656 ( 6341 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.8128 1.8128 7.3255 7.3255 7.3821 7.3821 7.5106 7.5106 8.7536 8.7536 8.7928 8.7928 13.3743 13.3743 13.4848 13.4848 13.7905 13.7905 13.9819 13.9819 15.8716 15.8716 15.9844 15.9844 k = 0.0335 0.0193 0.0547 ( 6337 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7969 1.7969 7.3395 7.3395 7.3776 7.3776 7.5092 7.5092 8.7663 8.7663 8.7937 8.7937 13.4425 13.4425 13.5538 13.5538 13.7601 13.7601 13.9624 13.9624 15.9000 15.9000 15.9768 15.9768 k = 0.0268 0.0155 0.0437 ( 6337 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7838 1.7838 7.3502 7.3502 7.3738 7.3738 7.5089 7.5089 8.7769 8.7769 8.7945 8.7945 13.4974 13.4974 13.6116 13.6116 13.7374 13.7374 13.9481 13.9481 15.9220 15.9220 15.9694 15.9694 k = 0.0201 0.0116 0.0328 ( 6351 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7737 1.7737 7.3579 7.3579 7.3708 7.3708 7.5094 7.5094 8.7853 8.7853 8.7952 8.7952 13.5372 13.5372 13.6570 13.6570 13.7230 13.7230 13.9390 13.9390 15.9379 15.9379 15.9635 15.9635 k = 0.0134 0.0077 0.0219 ( 6355 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7664 1.7664 7.3630 7.3630 7.3686 7.3686 7.5103 7.5103 8.7913 8.7913 8.7957 8.7957 13.5619 13.5619 13.6894 13.6894 13.7165 13.7165 13.9344 13.9344 15.9485 15.9485 15.9595 15.9595 k = 0.0067 0.0039 0.0109 ( 6375 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7621 1.7621 7.3659 7.3659 7.3673 7.3673 7.5109 7.5109 8.7950 8.7950 8.7961 8.7961 13.5740 13.5740 13.7087 13.7087 13.7151 13.7151 13.9328 13.9328 15.9546 15.9546 15.9573 15.9573 k = 0.0000 0.0000 0.0000 ( 6375 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7606 1.7606 7.3668 7.3668 7.3668 7.3668 7.5112 7.5112 8.7962 8.7962 8.7962 8.7962 13.5775 13.5775 13.7151 13.7151 13.7151 13.7151 13.9325 13.9325 15.9566 15.9566 15.9566 15.9566 k = 0.0000 0.0000 0.0000 ( 6375 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7606 1.7606 7.3668 7.3668 7.3668 7.3668 7.5112 7.5112 8.7962 8.7962 8.7962 8.7962 13.5775 13.5775 13.7151 13.7151 13.7151 13.7151 13.9325 13.9325 15.9566 15.9566 15.9566 15.9566 k = 0.0109 0.0063 0.0044 ( 6375 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7621 1.7621 7.3659 7.3659 7.3673 7.3673 7.5109 7.5109 8.7954 8.7954 8.7956 8.7956 13.5740 13.5740 13.7087 13.7087 13.7151 13.7151 13.9328 13.9328 15.9555 15.9555 15.9564 15.9564 k = 0.0217 0.0126 0.0089 ( 6366 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7664 1.7664 7.3629 7.3629 7.3687 7.3687 7.5103 7.5103 8.7930 8.7930 8.7941 8.7941 13.5613 13.5613 13.6917 13.6917 13.7152 13.7152 13.9346 13.9346 15.9523 15.9523 15.9556 15.9556 k = 0.0326 0.0188 0.0133 ( 6342 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7735 1.7735 7.3576 7.3576 7.3710 7.3710 7.5095 7.5095 8.7892 8.7892 8.7914 8.7914 13.5316 13.5316 13.6712 13.6712 13.7153 13.7153 13.9397 13.9397 15.9471 15.9471 15.9539 15.9539 k = 0.0435 0.0251 0.0177 ( 6336 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7836 1.7836 7.3496 7.3496 7.3742 7.3742 7.5092 7.5092 8.7838 8.7838 8.7879 8.7879 13.4769 13.4769 13.6561 13.6561 13.7153 13.7153 13.9490 13.9490 15.9396 15.9396 15.9504 15.9504 k = 0.0543 0.0314 0.0222 ( 6330 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.7964 1.7964 7.3384 7.3384 7.3783 7.3783 7.5097 7.5097 8.7771 8.7771 8.7834 8.7834 13.3973 13.3973 13.6482 13.6482 13.7151 13.7151 13.9628 13.9628 15.9286 15.9286 15.9443 15.9443 k = 0.0652 0.0377 0.0266 ( 6336 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6412 -33.6412 -33.6412 -33.6412 1.8122 1.8122 7.3236 7.3236 7.3832 7.3832 7.5114 7.5114 8.7691 8.7691 8.7782 8.7782 13.2981 13.2981 13.6445 13.6445 13.7144 13.7144 13.9809 13.9809 15.9121 15.9121 15.9341 15.9341 k = 0.0761 0.0439 0.0311 ( 6330 PWs) bands (ev): -66.9191 -66.9191 -37.5376 -37.5376 -34.4887 -34.4887 -33.6413 -33.6413 -33.6412 -33.6412 1.8307 1.8307 7.3050 7.3050 7.3888 7.3888 7.5147 7.5147 8.7599 8.7599 8.7723 8.7723 13.1840 13.1840 13.6428 13.6428 13.7131 13.7131 14.0030 14.0030 15.8878 15.8878 15.9185 15.9185 k = 0.0870 0.0502 0.0355 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6413 -33.6413 -33.6412 -33.6412 1.8521 1.8521 7.2826 7.2826 7.3951 7.3951 7.5196 7.5196 8.7497 8.7497 8.7658 8.7658 13.0584 13.0584 13.6416 13.6416 13.7110 13.7110 14.0284 14.0284 15.8544 15.8544 15.8963 15.8963 k = 0.0978 0.0565 0.0399 ( 6327 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6414 -33.6414 -33.6412 -33.6412 1.8763 1.8763 7.2566 7.2566 7.4020 7.4020 7.5260 7.5260 8.7387 8.7387 8.7590 8.7590 12.9240 12.9240 13.6401 13.6401 13.7078 13.7078 14.0570 14.0570 15.8127 15.8127 15.8666 15.8666 k = 0.1087 0.0628 0.0444 ( 6333 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6414 -33.6414 -33.6412 -33.6412 1.9033 1.9033 7.2270 7.2270 7.4095 7.4095 7.5339 7.5339 8.7270 8.7270 8.7520 8.7520 12.7827 12.7827 13.6375 13.6375 13.7031 13.7031 14.0882 14.0882 15.7639 15.7639 15.8291 15.8291 k = 0.1196 0.0690 0.0488 ( 6339 PWs) bands (ev): -66.9191 -66.9191 -37.5377 -37.5377 -34.4887 -34.4887 -33.6415 -33.6415 -33.6412 -33.6412 1.9330 1.9330 7.1940 7.1940 7.4174 7.4174 7.5429 7.5429 8.7148 8.7148 8.7449 8.7449 12.6364 12.6364 13.6333 13.6333 13.6968 13.6968 14.1217 14.1217 15.7099 15.7099 15.7842 15.7842 k = 0.1304 0.0753 0.0532 ( 6342 PWs) bands (ev): -66.9191 -66.9191 -37.5378 -37.5378 -34.4887 -34.4887 -33.6415 -33.6415 -33.6413 -33.6413 1.9655 1.9655 7.1580 7.1580 7.4256 7.4256 7.5530 7.5530 8.7024 8.7024 8.7380 8.7380 12.4863 12.4863 13.6268 13.6268 13.6884 13.6884 14.1570 14.1570 15.6523 15.6523 15.7328 15.7328 k = 0.1413 0.0816 0.0577 ( 6360 PWs) bands (ev): -66.9191 -66.9191 -37.5378 -37.5378 -34.4888 -34.4888 -33.6416 -33.6416 -33.6413 -33.6413 2.0007 2.0007 7.1191 7.1191 7.4340 7.4340 7.5640 7.5640 8.6900 8.6900 8.7315 8.7315 12.3336 12.3336 13.6175 13.6175 13.6777 13.6777 14.1938 14.1938 15.5926 15.5926 15.6764 15.6764 k = 0.1522 0.0879 0.0621 ( 6342 PWs) bands (ev): -66.9190 -66.9190 -37.5378 -37.5378 -34.4888 -34.4888 -33.6417 -33.6417 -33.6413 -33.6413 2.0386 2.0386 7.0775 7.0775 7.4425 7.4425 7.5755 7.5755 8.6777 8.6777 8.7255 8.7255 12.1792 12.1792 13.6050 13.6050 13.6643 13.6643 14.2318 14.2318 15.5323 15.5323 15.6164 15.6164 k = 0.1630 0.0941 0.0666 ( 6339 PWs) bands (ev): -66.9190 -66.9190 -37.5379 -37.5379 -34.4888 -34.4888 -33.6417 -33.6417 -33.6413 -33.6413 2.0792 2.0792 7.0333 7.0333 7.4510 7.4510 7.5875 7.5875 8.6659 8.6659 8.7203 8.7203 12.0240 12.0240 13.5887 13.5887 13.6478 13.6478 14.2705 14.2705 15.4724 15.4724 15.5542 15.5542 k = 0.1739 0.1004 0.0710 ( 6336 PWs) bands (ev): -66.9190 -66.9190 -37.5379 -37.5379 -34.4888 -34.4888 -33.6418 -33.6418 -33.6413 -33.6413 2.1224 2.1224 6.9867 6.9867 7.4592 7.4592 7.5997 7.5997 8.6549 8.6549 8.7162 8.7162 11.8686 11.8686 13.5682 13.5682 13.6280 13.6280 14.3095 14.3095 15.4141 15.4141 15.4913 15.4913 k = 0.1848 0.1067 0.0754 ( 6348 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4888 -34.4888 -33.6419 -33.6419 -33.6414 -33.6414 2.1682 2.1682 6.9378 6.9378 7.4672 7.4672 7.6120 7.6120 8.6448 8.6448 8.7131 8.7131 11.7137 11.7137 13.5433 13.5433 13.6046 13.6046 14.3486 14.3486 15.3583 15.3583 15.4288 15.4288 k = 0.1957 0.1130 0.0799 ( 6336 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4888 -34.4888 -33.6420 -33.6420 -33.6414 -33.6414 2.2165 2.2165 6.8869 6.8869 7.4748 7.4748 7.6240 7.6240 8.6359 8.6359 8.7115 8.7115 11.5599 11.5599 13.5135 13.5135 13.5773 13.5773 14.3873 14.3873 15.3056 15.3056 15.3678 15.3678 k = 0.2065 0.1192 0.0843 ( 6336 PWs) bands (ev): -66.9190 -66.9190 -37.5380 -37.5380 -34.4888 -34.4888 -33.6420 -33.6420 -33.6414 -33.6414 2.2673 2.2673 6.8339 6.8339 7.4818 7.4818 7.6356 7.6356 8.6285 8.6285 8.7114 8.7114 11.4077 11.4077 13.4789 13.4789 13.5459 13.5459 14.4254 14.4254 15.2566 15.2566 15.3090 15.3090 k = 0.2174 0.1255 0.0887 ( 6336 PWs) bands (ev): -66.9190 -66.9190 -37.5381 -37.5381 -34.4888 -34.4888 -33.6421 -33.6421 -33.6414 -33.6414 2.3206 2.3206 6.7790 6.7790 7.4882 7.4882 7.6466 7.6466 8.6228 8.6228 8.7131 8.7131 11.2576 11.2576 13.4393 13.4393 13.5104 13.5104 14.4627 14.4627 15.2117 15.2117 15.2531 15.2531 k = 0.2283 0.1318 0.0932 ( 6336 PWs) bands (ev): -66.9190 -66.9190 -37.5381 -37.5381 -34.4888 -34.4888 -33.6422 -33.6422 -33.6415 -33.6415 2.3762 2.3762 6.7222 6.7222 7.4938 7.4938 7.6568 7.6568 8.6190 8.6190 8.7165 8.7165 11.1099 11.1099 13.3950 13.3950 13.4707 13.4707 14.4988 14.4988 15.1710 15.1710 15.2007 15.2007 k = 0.2391 0.1381 0.0976 ( 6348 PWs) bands (ev): -66.9190 -66.9190 -37.5382 -37.5382 -34.4888 -34.4888 -33.6423 -33.6423 -33.6415 -33.6415 2.4342 2.4342 6.6636 6.6636 7.4986 7.4986 7.6660 7.6660 8.6173 8.6173 8.7219 8.7219 10.9651 10.9651 13.3462 13.3462 13.4270 13.4270 14.5335 14.5335 15.1347 15.1347 15.1521 15.1521 k = 0.2500 0.1443 0.1021 ( 6345 PWs) bands (ev): -66.9190 -66.9190 -37.5382 -37.5382 -34.4888 -34.4888 -33.6424 -33.6424 -33.6415 -33.6415 2.4944 2.4944 6.6034 6.6034 7.5024 7.5024 7.6740 7.6740 8.6180 8.6180 8.7293 8.7293 10.8236 10.8236 13.2931 13.2931 13.3795 13.3795 14.5668 14.5668 15.1025 15.1025 15.1074 15.1074 k = 0.2609 0.1506 0.1065 ( 6339 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4888 -34.4888 -33.6424 -33.6424 -33.6415 -33.6415 2.5568 2.5568 6.5415 6.5415 7.5054 7.5054 7.6808 7.6808 8.6209 8.6209 8.7387 8.7387 10.6857 10.6857 13.2365 13.2365 13.3284 13.3284 14.5984 14.5984 15.0667 15.0667 15.0743 15.0743 k = 0.2717 0.1569 0.1109 ( 6351 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4888 -34.4888 -33.6425 -33.6425 -33.6416 -33.6416 2.6212 2.6212 6.4780 6.4780 7.5074 7.5074 7.6862 7.6862 8.6263 8.6263 8.7501 8.7501 10.5519 10.5519 13.1767 13.1767 13.2741 13.2741 14.6283 14.6283 15.0300 15.0300 15.0499 15.0499 k = 0.2826 0.1632 0.1154 ( 6351 PWs) bands (ev): -66.9190 -66.9190 -37.5383 -37.5383 -34.4889 -34.4889 -33.6426 -33.6426 -33.6416 -33.6416 2.6877 2.6877 6.4129 6.4129 7.5085 7.5085 7.6903 7.6903 8.6341 8.6341 8.7634 8.7634 10.4224 10.4224 13.1143 13.1143 13.2172 13.2172 14.6564 14.6564 14.9971 14.9971 15.0288 15.0288 k = 0.2935 0.1694 0.1198 ( 6369 PWs) bands (ev): -66.9190 -66.9190 -37.5384 -37.5384 -34.4889 -34.4889 -33.6427 -33.6427 -33.6416 -33.6416 2.7560 2.7560 6.3463 6.3463 7.5087 7.5087 7.6930 7.6930 8.6441 8.6441 8.7786 8.7786 10.2977 10.2977 13.0501 13.0501 13.1581 13.1581 14.6828 14.6828 14.9679 14.9679 15.0109 15.0109 k = 0.3043 0.1757 0.1242 ( 6366 PWs) bands (ev): -66.9190 -66.9190 -37.5384 -37.5384 -34.4889 -34.4889 -33.6428 -33.6428 -33.6416 -33.6416 2.8261 2.8261 6.2783 6.2783 7.5081 7.5081 7.6943 7.6943 8.6562 8.6562 8.7955 8.7955 10.1779 10.1779 12.9845 12.9845 13.0974 13.0974 14.7073 14.7073 14.9419 14.9419 14.9957 14.9957 k = 0.3152 0.1820 0.1287 ( 6363 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4889 -34.4889 -33.6428 -33.6428 -33.6417 -33.6417 2.8978 2.8978 6.2089 6.2089 7.5067 7.5067 7.6945 7.6945 8.6703 8.6703 8.8140 8.8140 10.0635 10.0635 12.9182 12.9182 13.0356 13.0356 14.7301 14.7301 14.9190 14.9190 14.9828 14.9828 k = 0.3261 0.1883 0.1331 ( 6345 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4889 -34.4889 -33.6429 -33.6429 -33.6417 -33.6417 2.9710 2.9710 6.1383 6.1383 7.5047 7.5047 7.6935 7.6935 8.6860 8.6860 8.8338 8.8338 9.9548 9.9548 12.8519 12.8519 12.9734 12.9734 14.7511 14.7511 14.8990 14.8990 14.9720 14.9720 k = 0.3370 0.1945 0.1376 ( 6345 PWs) bands (ev): -66.9190 -66.9190 -37.5385 -37.5385 -34.4889 -34.4889 -33.6430 -33.6430 -33.6417 -33.6417 3.0453 3.0453 6.0665 6.0665 7.5021 7.5021 7.6916 7.6916 8.7029 8.7029 8.8547 8.8547 9.8521 9.8521 12.7861 12.7861 12.9113 12.9113 14.7704 14.7704 14.8814 14.8814 14.9630 14.9630 k = 0.3478 0.2008 0.1420 ( 6351 PWs) bands (ev): -66.9190 -66.9190 -37.5386 -37.5386 -34.4889 -34.4889 -33.6431 -33.6431 -33.6417 -33.6417 3.1208 3.1208 5.9936 5.9936 7.4991 7.4991 7.6888 7.6888 8.7207 8.7207 8.8764 8.8764 9.7556 9.7556 12.7213 12.7213 12.8498 12.8498 14.7881 14.7881 14.8661 14.8661 14.9555 14.9555 k = 0.3587 0.2071 0.1464 ( 6351 PWs) bands (ev): -66.9190 -66.9190 -37.5386 -37.5386 -34.4889 -34.4889 -33.6431 -33.6431 -33.6417 -33.6417 3.1969 3.1969 5.9200 5.9200 7.4957 7.4957 7.6855 7.6855 8.7390 8.7390 8.8987 8.8987 9.6657 9.6657 12.6581 12.6581 12.7897 12.7897 14.8043 14.8043 14.8527 14.8527 14.9493 14.9493 k = 0.3696 0.2134 0.1509 ( 6366 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4889 -34.4889 -33.6432 -33.6432 -33.6418 -33.6418 3.2736 3.2736 5.8459 5.8459 7.4920 7.4920 7.6817 7.6817 8.7573 8.7573 8.9213 8.9213 9.5827 9.5827 12.5970 12.5970 12.7313 12.7313 14.8189 14.8189 14.8412 14.8412 14.9442 14.9442 k = 0.3804 0.2196 0.1553 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4889 -34.4889 -33.6432 -33.6432 -33.6418 -33.6418 3.3503 3.3503 5.7715 5.7715 7.4883 7.4883 7.6776 7.6776 8.7750 8.7750 8.9438 8.9438 9.5069 9.5069 12.5386 12.5386 12.6752 12.6752 14.8312 14.8312 14.8321 14.8321 14.9400 14.9400 k = 0.3913 0.2259 0.1597 ( 6366 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4889 -34.4889 -33.6433 -33.6433 -33.6418 -33.6418 3.4266 3.4266 5.6973 5.6973 7.4845 7.4845 7.6733 7.6733 8.7917 8.7917 8.9659 8.9659 9.4385 9.4385 12.4832 12.4832 12.6220 12.6220 14.8226 14.8226 14.8440 14.8440 14.9366 14.9366 k = 0.4022 0.2322 0.1642 ( 6378 PWs) bands (ev): -66.9190 -66.9190 -37.5387 -37.5387 -34.4889 -34.4889 -33.6434 -33.6434 -33.6418 -33.6418 3.5020 3.5020 5.6239 5.6239 7.4807 7.4807 7.6690 7.6690 8.8067 8.8067 8.9873 8.9873 9.3780 9.3780 12.4315 12.4315 12.5721 12.5721 14.8152 14.8152 14.8545 14.8545 14.9338 14.9338 k = 0.4130 0.2385 0.1686 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4889 -34.4889 -33.6434 -33.6434 -33.6418 -33.6418 3.5758 3.5758 5.5519 5.5519 7.4771 7.4771 7.6648 7.6648 8.8195 8.8195 9.0077 9.0077 9.3255 9.3255 12.3837 12.3837 12.5260 12.5260 14.8089 14.8089 14.8639 14.8639 14.9315 14.9315 k = 0.4239 0.2447 0.1731 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4889 -34.4889 -33.6434 -33.6434 -33.6418 -33.6418 3.6470 3.6470 5.4822 5.4822 7.4738 7.4738 7.6609 7.6609 8.8297 8.8297 9.0266 9.0266 9.2812 9.2812 12.3405 12.3405 12.4841 12.4841 14.8037 14.8037 14.8720 14.8720 14.9297 14.9297 k = 0.4348 0.2510 0.1775 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4889 -34.4889 -33.6435 -33.6435 -33.6418 -33.6418 3.7145 3.7145 5.4160 5.4160 7.4707 7.4707 7.6573 7.6573 8.8370 8.8370 9.0437 9.0437 9.2451 9.2451 12.3020 12.3020 12.4469 12.4469 14.7993 14.7993 14.8790 14.8790 14.9282 14.9282 k = 0.4457 0.2573 0.1819 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4889 -34.4889 -33.6435 -33.6435 -33.6419 -33.6419 3.7770 3.7770 5.3546 5.3546 7.4680 7.4680 7.6541 7.6541 8.8414 8.8414 9.0589 9.0589 9.2170 9.2170 12.2688 12.2688 12.4147 12.4147 14.7957 14.7957 14.8848 14.8848 14.9270 14.9270 k = 0.4565 0.2636 0.1864 ( 6354 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4889 -34.4889 -33.6435 -33.6435 -33.6419 -33.6419 3.8326 3.8326 5.2998 5.2998 7.4658 7.4658 7.6514 7.6514 8.8433 8.8433 9.0717 9.0717 9.1960 9.1960 12.2412 12.2412 12.3878 12.3878 14.7928 14.7928 14.8896 14.8896 14.9261 14.9261 k = 0.4674 0.2698 0.1908 ( 6358 PWs) bands (ev): -66.9190 -66.9190 -37.5388 -37.5388 -34.4889 -34.4889 -33.6435 -33.6435 -33.6419 -33.6419 3.8794 3.8794 5.2536 5.2536 7.4640 7.4640 7.6492 7.6492 8.8434 8.8434 9.0819 9.0819 9.1813 9.1813 12.2193 12.2193 12.3666 12.3666 14.7907 14.7907 14.8933 14.8933 14.9254 14.9254 k = 0.4783 0.2761 0.1952 ( 6358 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9151 3.9151 5.2184 5.2184 7.4626 7.4626 7.6476 7.6476 8.8426 8.8426 9.0893 9.0893 9.1719 9.1719 12.2036 12.2036 12.3513 12.3513 14.7892 14.7892 14.8960 14.8960 14.9249 14.9249 k = 0.4891 0.2824 0.1997 ( 6364 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9376 3.9376 5.1961 5.1961 7.4618 7.4618 7.6467 7.6467 8.8418 8.8418 9.0939 9.0939 9.1666 9.1666 12.1940 12.1940 12.3420 12.3420 14.7883 14.7883 14.8976 14.8976 14.9246 14.9246 k = 0.5000 0.2887 0.2041 ( 6394 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9453 3.9453 5.1885 5.1885 7.4616 7.4616 7.6463 7.6463 8.8414 8.8414 9.0954 9.0954 9.1649 9.1649 12.1908 12.1908 12.3389 12.3389 14.7880 14.7880 14.8981 14.8981 14.9245 14.9245 k = 0.5000 0.2887 0.2041 ( 6394 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9453 3.9453 5.1885 5.1885 7.4616 7.4616 7.6463 7.6463 8.8414 8.8414 9.0954 9.0954 9.1649 9.1649 12.1908 12.1908 12.3389 12.3389 14.7880 14.7880 14.8981 14.8981 14.9245 14.9245 k = 0.5038 0.2777 0.2103 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9469 3.9469 5.1889 5.1889 7.4615 7.4615 7.6462 7.6462 8.8410 8.8410 9.0951 9.0951 9.1640 9.1640 12.1847 12.1847 12.3327 12.3327 14.7740 14.7740 14.8833 14.8833 14.9671 14.9671 k = 0.5076 0.2668 0.2165 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9515 3.9515 5.1902 5.1902 7.4613 7.4613 7.6459 7.6459 8.8396 8.8396 9.0940 9.0940 9.1613 9.1613 12.1661 12.1661 12.3148 12.3148 14.7418 14.7418 14.8873 14.8873 15.0366 15.0366 k = 0.5114 0.2559 0.2227 ( 6362 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9592 3.9592 5.1922 5.1922 7.4607 7.4607 7.6457 7.6457 8.8371 8.8371 9.0920 9.0920 9.1572 9.1572 12.1343 12.1343 12.2873 12.2873 14.7065 14.7065 14.9086 14.9086 15.1175 15.1175 k = 0.5152 0.2449 0.2289 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9699 3.9699 5.1951 5.1951 7.4595 7.4595 7.6458 7.6458 8.8335 8.8335 9.0889 9.0889 9.1519 9.1519 12.0887 12.0887 12.2527 12.2527 14.6747 14.6747 14.9421 14.9421 15.2066 15.2066 k = 0.5189 0.2340 0.2351 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9837 3.9837 5.1988 5.1988 7.4572 7.4572 7.6466 7.6466 8.8285 8.8285 9.0841 9.0841 9.1463 9.1463 12.0296 12.0296 12.2132 12.2132 14.6479 14.6479 14.9855 14.9855 15.3020 15.3020 k = 0.5227 0.2231 0.2412 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0005 4.0005 5.2033 5.2033 7.4533 7.4533 7.6487 7.6487 8.8219 8.8219 9.0771 9.0771 9.1411 9.1411 11.9583 11.9583 12.1701 12.1701 14.6258 14.6258 15.0378 15.0378 15.4022 15.4022 k = 0.5265 0.2121 0.2474 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0204 4.0204 5.2086 5.2086 7.4474 7.4474 7.6525 7.6525 8.8133 8.8133 9.0672 9.0672 9.1374 9.1374 11.8769 11.8769 12.1239 12.1239 14.6081 14.6081 15.0981 15.0981 15.5059 15.5059 k = 0.5303 0.2012 0.2536 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0433 4.0433 5.2146 5.2146 7.4390 7.4390 7.6585 7.6585 8.8024 8.8024 9.0545 9.0545 9.1354 9.1354 11.7877 11.7877 12.0750 12.0750 14.5939 14.5939 15.1657 15.1657 15.6121 15.6121 k = 0.5341 0.1903 0.2598 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6421 -33.6421 4.0691 4.0691 5.2214 5.2214 7.4278 7.4278 7.6668 7.6668 8.7888 8.7888 9.0394 9.0394 9.1354 9.1354 11.6929 11.6929 12.0234 12.0234 14.5827 14.5827 15.2398 15.2398 15.7199 15.7199 k = 0.5379 0.1793 0.2660 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6421 -33.6421 4.0979 4.0979 5.2290 5.2290 7.4137 7.4137 7.6777 7.6777 8.7721 8.7721 9.0223 9.0223 9.1372 9.1372 11.5944 11.5944 11.9695 11.9695 14.5739 14.5739 15.3199 15.3199 15.8287 15.8287 k = 0.5417 0.1684 0.2722 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6422 -33.6422 4.1296 4.1296 5.2372 5.2372 7.3966 7.3966 7.6911 7.6911 8.7520 8.7520 9.0040 9.0040 9.1406 9.1406 11.4936 11.4936 11.9135 11.9135 14.5670 14.5670 15.4052 15.4052 15.9382 15.9382 k = 0.5455 0.1575 0.2784 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6422 -33.6422 4.1641 4.1641 5.2462 5.2462 7.3766 7.3766 7.7069 7.7069 8.7282 8.7282 8.9850 8.9850 9.1455 9.1455 11.3920 11.3920 11.8557 11.8557 14.5616 14.5616 15.4953 15.4953 16.0482 16.0482 k = 0.5492 0.1465 0.2845 ( 6365 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4888 -34.4888 -33.6437 -33.6437 -33.6423 -33.6423 4.2015 4.2015 5.2558 5.2558 7.3537 7.3537 7.7251 7.7251 8.7005 8.7005 8.9657 8.9657 9.1518 9.1518 11.2905 11.2905 11.7965 11.7965 14.5573 14.5573 15.5895 15.5895 16.1587 16.1587 k = 0.5530 0.1356 0.2907 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4888 -34.4888 -33.6437 -33.6437 -33.6423 -33.6423 4.2416 4.2416 5.2660 5.2660 7.3279 7.3279 7.7454 7.7454 8.6692 8.6692 8.9464 8.9464 9.1594 9.1594 11.1902 11.1902 11.7360 11.7360 14.5538 14.5538 15.6875 15.6875 16.2695 16.2695 k = 0.5568 0.1247 0.2969 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6424 -33.6424 4.2845 4.2845 5.2767 5.2767 7.2993 7.2993 7.7677 7.7677 8.6343 8.6343 8.9274 8.9274 9.1682 9.1682 11.0917 11.0917 11.6746 11.6746 14.5509 14.5509 15.7887 15.7887 16.3807 16.3807 k = 0.5606 0.1137 0.3031 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6424 -33.6424 4.3300 4.3300 5.2880 5.2880 7.2678 7.2678 7.7918 7.7918 8.5964 8.5964 8.9086 8.9086 9.1781 9.1781 10.9956 10.9956 11.6125 11.6125 14.5483 14.5483 15.8926 15.8926 16.4920 16.4920 k = 0.5644 0.1028 0.3093 ( 6369 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6425 -33.6425 4.3781 4.3781 5.2996 5.2996 7.2334 7.2334 7.8177 7.8177 8.5560 8.5560 8.8900 8.8900 9.1889 9.1889 10.9025 10.9025 11.5499 11.5499 14.5459 14.5459 15.9988 15.9988 16.6031 16.6031 k = 0.5682 0.0919 0.3155 ( 6369 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6425 -33.6425 4.4287 4.4287 5.3116 5.3116 7.1961 7.1961 7.8451 7.8451 8.5139 8.5139 8.8717 8.8717 9.2006 9.2006 10.8128 10.8128 11.4869 11.4869 14.5436 14.5436 16.1069 16.1069 16.7131 16.7131 k = 0.5720 0.0809 0.3217 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6439 -33.6439 -33.6426 -33.6426 4.4817 4.4817 5.3239 5.3239 7.1558 7.1558 7.8739 7.8739 8.4709 8.4709 8.8536 8.8536 9.2128 9.2128 10.7266 10.7266 11.4239 11.4239 14.5412 14.5412 16.2162 16.2162 16.8204 16.8204 k = 0.5758 0.0700 0.3278 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6426 -33.6426 4.5370 4.5370 5.3362 5.3362 7.1124 7.1124 7.9038 7.9038 8.4277 8.4277 8.8357 8.8357 9.2255 9.2255 10.6445 10.6445 11.3609 11.3609 14.5386 14.5386 16.3264 16.3264 16.9217 16.9217 k = 0.5795 0.0590 0.3340 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6427 -33.6427 4.5945 4.5945 5.3485 5.3485 7.0660 7.0660 7.9347 7.9347 8.3854 8.3854 8.8180 8.8180 9.2384 9.2384 10.5664 10.5664 11.2980 11.2980 14.5358 14.5358 16.4367 16.4367 17.0098 17.0098 k = 0.5833 0.0481 0.3402 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6440 -33.6440 -33.6427 -33.6427 4.6540 4.6540 5.3606 5.3606 7.0167 7.0167 7.9661 7.9661 8.3450 8.3450 8.8006 8.8006 9.2512 9.2512 10.4927 10.4927 11.2354 11.2354 14.5327 14.5327 16.5468 16.5468 17.0714 17.0714 k = 0.5871 0.0372 0.3464 ( 6373 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6440 -33.6440 -33.6428 -33.6428 4.7154 4.7154 5.3722 5.3722 6.9645 6.9645 7.9974 7.9974 8.3076 8.3076 8.7834 8.7834 9.2636 9.2636 10.4237 10.4237 11.1733 11.1733 14.5292 14.5292 16.6557 16.6557 17.0891 17.0891 k = 0.5909 0.0262 0.3526 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6428 -33.6428 4.7785 4.7785 5.3829 5.3829 6.9099 6.9099 8.0276 8.0276 8.2747 8.2747 8.7667 8.7667 9.2752 9.2752 10.3594 10.3594 11.1117 11.1117 14.5253 14.5253 16.7627 16.7627 17.0603 17.0603 k = 0.5947 0.0153 0.3588 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6428 -33.6428 4.8430 4.8430 5.3925 5.3925 6.8533 6.8533 8.0549 8.0549 8.2486 8.2486 8.7505 8.7505 9.2855 9.2855 10.3004 10.3004 11.0507 11.0507 14.5209 14.5209 16.8666 16.8666 17.0019 17.0019 k = 0.5985 0.0044 0.3649 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6429 -33.6429 4.9089 4.9089 5.4005 5.4005 6.7953 6.7953 8.0758 8.0758 8.2328 8.2328 8.7351 8.7351 9.2940 9.2940 10.2469 10.2469 10.9905 10.9905 14.5161 14.5161 16.9225 16.9225 16.9733 16.9733 k = 0.6023-0.0066 0.3711 ( 6370 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 4.9756 4.9756 5.4062 5.4062 6.7370 6.7370 8.0864 8.0864 8.2314 8.2314 8.7209 8.7209 9.3001 9.3001 10.1995 10.1995 10.9312 10.9312 14.5107 14.5107 16.8458 16.8458 17.0667 17.0667 k = 0.6061-0.0175 0.3773 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 5.0430 5.0430 5.4089 5.4089 6.6793 6.6793 8.0863 8.0863 8.2444 8.2444 8.7082 8.7082 9.3030 9.3030 10.1586 10.1586 10.8728 10.8728 14.5049 14.5049 16.7643 16.7643 17.1575 17.1575 k = 0.6098-0.0284 0.3835 ( 6370 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 5.1105 5.1105 5.4080 5.4080 6.6238 6.6238 8.0806 8.0806 8.2663 8.2663 8.6976 8.6976 9.3022 9.3022 10.1248 10.1248 10.8156 10.8156 14.4985 14.4985 16.6824 16.6824 17.2422 17.2422 k = 0.6136-0.0394 0.3897 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6443 -33.6443 -33.6429 -33.6429 5.1773 5.1773 5.4026 5.4026 6.5721 6.5721 8.0740 8.0740 8.2917 8.2917 8.6900 8.6900 9.2971 9.2971 10.0986 10.0986 10.7596 10.7596 14.4916 14.4916 16.6015 16.6015 17.3199 17.3199 k = 0.6174-0.0503 0.3959 ( 6365 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6443 -33.6443 -33.6430 -33.6430 5.2418 5.2418 5.3928 5.3928 6.5258 6.5258 8.0693 8.0693 8.3165 8.3165 8.6865 8.6865 9.2874 9.2874 10.0802 10.0802 10.7050 10.7050 14.4841 14.4841 16.5222 16.5222 17.3898 17.3898 k = 0.6212-0.0612 0.4021 ( 6357 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6430 -33.6430 5.2971 5.2971 5.3841 5.3841 6.4869 6.4869 8.0678 8.0678 8.3384 8.3384 8.6881 8.6881 9.2730 9.2730 10.0698 10.0698 10.6520 10.6520 14.4761 14.4761 16.4448 16.4448 17.4516 17.4516 k = 0.6250-0.0722 0.4082 ( 6343 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3124 5.3124 5.4055 5.4055 6.4568 6.4568 8.0701 8.0701 8.3553 8.3553 8.6960 8.6960 9.2543 9.2543 10.0670 10.0670 10.6008 10.6008 14.4676 14.4676 16.3695 16.3695 17.5054 17.5054 k = 0.6250-0.0722 0.4082 ( 6343 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3124 5.3124 5.4055 5.4055 6.4568 6.4568 8.0701 8.0701 8.3553 8.3553 8.6960 8.6960 9.2543 9.2543 10.0670 10.0670 10.6008 10.6008 14.4676 14.4676 16.3695 16.3695 17.5054 17.5054 k = 0.6184-0.0684 0.4190 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3130 5.3130 5.4065 5.4065 6.4577 6.4577 8.0543 8.0543 8.3689 8.3689 8.6970 8.6970 9.2536 9.2536 10.0598 10.0598 10.6062 10.6062 14.4725 14.4725 16.3704 16.3704 17.4877 17.4877 k = 0.6118-0.0646 0.4297 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3148 5.3148 5.4095 5.4095 6.4603 6.4603 8.0135 8.0135 8.4030 8.4030 8.7000 8.7000 9.2516 9.2516 10.0394 10.0394 10.6216 10.6216 14.4869 14.4869 16.3734 16.3734 17.4381 17.4381 k = 0.6053-0.0608 0.4405 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3177 5.3177 5.4144 5.4144 6.4648 6.4648 7.9581 7.9581 8.4472 8.4472 8.7050 8.7050 9.2483 9.2483 10.0081 10.0081 10.6444 10.6444 14.5107 14.5107 16.3782 16.3782 17.3646 17.3646 k = 0.5987-0.0570 0.4512 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3218 5.3218 5.4212 5.4212 6.4711 6.4711 7.8944 7.8944 8.4949 8.4949 8.7124 8.7124 9.2436 9.2436 9.9688 9.9688 10.6720 10.6720 14.5439 14.5439 16.3851 16.3851 17.2750 17.2750 k = 0.5921-0.0532 0.4620 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3270 5.3270 5.4298 5.4298 6.4792 6.4792 7.8257 7.8257 8.5428 8.5428 8.7226 8.7226 9.2376 9.2376 9.9240 9.9240 10.7019 10.7019 14.5860 14.5860 16.3940 16.3940 17.1755 17.1755 k = 0.5855-0.0494 0.4727 ( 6383 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3334 5.3334 5.4399 5.4399 6.4892 6.4892 7.7534 7.7534 8.5885 8.5885 8.7362 8.7362 9.2303 9.2303 9.8759 9.8759 10.7323 10.7323 14.6367 14.6367 16.4049 16.4049 17.0703 17.0703 k = 0.5789-0.0456 0.4835 ( 6387 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3410 5.3410 5.4514 5.4514 6.5011 6.5011 7.6785 7.6785 8.6302 8.6302 8.7543 8.7543 9.2219 9.2219 9.8258 9.8258 10.7618 10.7618 14.6956 14.6956 16.4178 16.4178 16.9622 16.9622 k = 0.5724-0.0418 0.4942 ( 6382 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3496 5.3496 5.4641 5.4641 6.5150 6.5150 7.6018 7.6018 8.6662 8.6662 8.7782 8.7782 9.2123 9.2123 9.7750 9.7750 10.7897 10.7897 14.7621 14.7621 16.4326 16.4326 16.8530 16.8530 k = 0.5658-0.0380 0.5049 ( 6386 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3594 5.3594 5.4775 5.4775 6.5310 6.5310 7.5238 7.5238 8.6959 8.6959 8.8079 8.8079 9.2017 9.2017 9.7243 9.7243 10.8153 10.8153 14.8355 14.8355 16.4493 16.4493 16.7442 16.7442 k = 0.5592-0.0342 0.5157 ( 6384 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3703 5.3703 5.4914 5.4914 6.5491 6.5491 7.4452 7.4452 8.7206 8.7206 8.8416 8.8416 9.1904 9.1904 9.6746 9.6746 10.8382 10.8382 14.9151 14.9151 16.4667 16.4667 16.6374 16.6374 k = 0.5526-0.0304 0.5264 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3823 5.3823 5.5053 5.5053 6.5694 6.5694 7.3663 7.3663 8.7423 8.7423 8.8768 8.8768 9.1786 9.1786 9.6264 9.6264 10.8582 10.8582 15.0000 15.0000 16.4764 16.4764 16.5418 16.5418 k = 0.5461-0.0266 0.5372 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.3953 5.3953 5.5185 5.5185 6.5921 6.5921 7.2881 7.2881 8.7626 8.7626 8.9111 8.9111 9.1668 9.1668 9.5804 9.5804 10.8753 10.8753 15.0893 15.0893 16.4114 16.4114 16.5247 16.5247 k = 0.5395-0.0228 0.5479 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4094 5.4094 5.5304 5.5304 6.6172 6.6172 7.2111 7.2111 8.7823 8.7823 8.9424 8.9424 9.1559 9.1559 9.5372 9.5372 10.8895 10.8895 15.1820 15.1820 16.3120 16.3120 16.5456 16.5456 k = 0.5329-0.0190 0.5587 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4245 5.4245 5.5402 5.5402 6.6449 6.6449 7.1363 7.1363 8.8017 8.8017 8.9686 8.9686 9.1471 9.1471 9.4976 9.4976 10.9008 10.9008 15.2769 15.2769 16.2119 16.2119 16.5704 16.5704 k = 0.5263-0.0152 0.5694 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4406 5.4406 5.5471 5.5471 6.6753 6.6753 7.0646 7.0646 8.8207 8.8207 8.9876 8.9876 9.1419 9.1419 9.4624 9.4624 10.9095 10.9095 15.3728 15.3728 16.1138 16.1138 16.5958 16.5958 k = 0.5197-0.0114 0.5801 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4576 5.4576 5.5499 5.5499 6.7084 6.7084 6.9972 6.9972 8.8387 8.8387 8.9979 8.9979 9.1412 9.1412 9.4330 9.4330 10.9157 10.9157 15.4683 15.4683 16.0181 16.0181 16.6200 16.6200 k = 0.5132-0.0076 0.5909 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4752 5.4752 5.5479 5.5479 6.7441 6.7441 6.9354 6.9354 8.8543 8.8543 9.0006 9.0006 9.1436 9.1436 9.4108 9.4108 10.9198 10.9198 15.5622 15.5622 15.9252 15.9252 16.6406 16.6406 k = 0.5066-0.0038 0.6016 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4925 5.4925 5.5407 5.5407 6.7817 6.7817 6.8814 6.8814 8.8656 8.8656 8.9995 8.9995 9.1462 9.1462 9.3972 9.3972 10.9220 10.9220 15.6526 15.6526 15.8361 15.8361 16.6551 16.6551 k = 0.5000-0.0000 0.6124 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.5030 5.5030 5.5337 5.5337 6.8087 6.8087 6.8487 6.8487 8.8698 8.8698 8.9986 8.9986 9.1470 9.1470 9.3928 9.3928 10.9227 10.9227 15.7198 15.7198 15.7695 15.7695 16.6604 16.6604 k = 0.5000-0.0000 0.6124 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.5030 5.5030 5.5337 5.5337 6.8087 6.8087 6.8487 6.8487 8.8698 8.8698 8.9986 8.9986 9.1470 9.1470 9.3928 9.3928 10.9227 10.9227 15.7198 15.7198 15.7695 15.7695 16.6604 16.6604 k = 0.5000 0.0076 0.6016 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4988 5.4988 5.5301 5.5301 6.8167 6.8167 6.8502 6.8502 8.8613 8.8613 9.0008 9.0008 9.1462 9.1462 9.4011 9.4011 10.9243 10.9243 15.7168 15.7168 15.7671 15.7671 16.6646 16.6646 k = 0.5000 0.0152 0.5909 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6431 -33.6431 5.4832 5.4832 5.5224 5.5224 6.8397 6.8397 6.8548 6.8548 8.8384 8.8384 9.0058 9.0058 9.1439 9.1439 9.4249 9.4249 10.9293 10.9293 15.7076 15.7076 15.7604 15.7604 16.6771 16.6771 k = 0.5000 0.0228 0.5801 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6431 -33.6431 5.4536 5.4536 5.5150 5.5150 6.8604 6.8604 6.8785 6.8785 8.8057 8.8057 9.0109 9.0109 9.1412 9.1412 9.4613 9.4613 10.9376 10.9376 15.6921 15.6921 15.7501 15.7501 16.6976 16.6976 k = 0.5000 0.0304 0.5694 ( 6350 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6431 -33.6431 5.4121 5.4121 5.5079 5.5079 6.8705 6.8705 6.9272 6.9272 8.7673 8.7673 9.0146 9.0146 9.1385 9.1385 9.5073 9.5073 10.9491 10.9491 15.6701 15.6701 15.7371 15.7371 16.7258 16.7258 k = 0.5000 0.0380 0.5587 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6431 -33.6431 5.3618 5.3618 5.5002 5.5002 6.8827 6.8827 6.9855 6.9855 8.7256 8.7256 9.0168 9.0168 9.1362 9.1362 9.5605 9.5605 10.9639 10.9639 15.6418 15.6418 15.7222 15.7222 16.7614 16.7614 k = 0.5000 0.0456 0.5479 ( 6352 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6430 -33.6430 5.3052 5.3052 5.4915 5.4915 6.8973 6.8973 7.0511 7.0511 8.6824 8.6824 9.0177 9.0177 9.1343 9.1343 9.6193 9.6193 10.9818 10.9818 15.6077 15.6077 15.7060 15.7060 16.8037 16.8037 k = 0.5000 0.0532 0.5372 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6443 -33.6443 -33.6430 -33.6430 5.2442 5.2442 5.4818 5.4818 6.9142 6.9142 7.1218 7.1218 8.6389 8.6389 9.0174 9.0174 9.1328 9.1328 9.6824 9.6824 11.0029 11.0029 15.5686 15.5686 15.6887 15.6887 16.8526 16.8526 k = 0.5000 0.0608 0.5264 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6430 -33.6430 5.1802 5.1802 5.4712 5.4712 6.9330 6.9330 7.1959 7.1959 8.5961 8.5961 9.0164 9.0164 9.1315 9.1315 9.7490 9.7490 11.0271 11.0271 15.5252 15.5252 15.6707 15.6707 16.9074 16.9074 k = 0.5000 0.0684 0.5157 ( 6376 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6430 -33.6430 5.1144 5.1144 5.4597 5.4597 6.9537 6.9537 7.2718 7.2718 8.5548 8.5548 9.0147 9.0147 9.1304 9.1304 9.8188 9.8188 11.0543 11.0543 15.4785 15.4785 15.6521 15.6521 16.9678 16.9678 k = 0.5000 0.0760 0.5049 ( 6374 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6430 -33.6430 5.0476 5.0476 5.4476 5.4476 6.9760 6.9760 7.3479 7.3479 8.5160 8.5160 9.0126 9.0126 9.1294 9.1294 9.8914 9.8914 11.0844 11.0844 15.4290 15.4290 15.6331 15.6331 17.0336 17.0336 k = 0.5000 0.0836 0.4942 ( 6376 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6441 -33.6441 -33.6429 -33.6429 4.9806 4.9806 5.4348 5.4348 6.9997 6.9997 7.4227 7.4227 8.4803 8.4803 9.0102 9.0102 9.1285 9.1285 9.9666 9.9666 11.1174 11.1174 15.3776 15.3776 15.6137 15.6137 17.1043 17.1043 k = 0.5000 0.0912 0.4835 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6429 -33.6429 4.9139 4.9139 5.4217 5.4217 7.0247 7.0247 7.4947 7.4947 8.4490 8.4490 9.0076 9.0076 9.1277 9.1277 10.0443 10.0443 11.1531 11.1531 15.3246 15.3246 15.5940 15.5940 17.1796 17.1796 k = 0.5000 0.0988 0.4727 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6429 -33.6429 4.8480 4.8480 5.4081 5.4081 7.0506 7.0506 7.5620 7.5620 8.4231 8.4231 9.0050 9.0050 9.1269 9.1269 10.1246 10.1246 11.1914 11.1914 15.2708 15.2708 15.5742 15.5742 17.2592 17.2592 k = 0.5000 0.1064 0.4620 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6440 -33.6440 -33.6428 -33.6428 4.7832 4.7832 5.3944 5.3944 7.0773 7.0773 7.6228 7.6228 8.4042 8.4042 9.0025 9.0025 9.1261 9.1261 10.2073 10.2073 11.2323 11.2323 15.2165 15.2165 15.5540 15.5540 17.3425 17.3425 k = 0.5000 0.1140 0.4512 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6440 -33.6440 -33.6428 -33.6428 4.7198 4.7198 5.3806 5.3806 7.1046 7.1046 7.6750 7.6750 8.3937 8.3937 9.0001 9.0001 9.1254 9.1254 10.2926 10.2926 11.2755 11.2755 15.1624 15.1624 15.5336 15.5336 17.4292 17.4292 k = 0.5000 0.1215 0.4405 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6440 -33.6440 -33.6427 -33.6427 4.6581 4.6581 5.3668 5.3668 7.1323 7.1323 7.7167 7.7167 8.3933 8.3933 8.9980 8.9980 9.1247 9.1247 10.3804 10.3804 11.3211 11.3211 15.1087 15.1087 15.5128 15.5128 17.5184 17.5184 k = 0.5000 0.1291 0.4297 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6427 -33.6427 4.5983 4.5983 5.3531 5.3531 7.1601 7.1601 7.7468 7.7468 8.4035 8.4035 8.9962 8.9962 9.1241 9.1241 10.4707 10.4707 11.3687 11.3687 15.0559 15.0559 15.4916 15.4916 17.6078 17.6078 k = 0.5000 0.1367 0.4190 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6426 -33.6426 4.5404 4.5404 5.3396 5.3396 7.1879 7.1879 7.7653 7.7653 8.4241 8.4241 8.9949 8.9949 9.1235 9.1235 10.5636 10.5636 11.4184 11.4184 15.0044 15.0044 15.4698 15.4698 17.4827 17.4827 k = 0.5000 0.1443 0.4082 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6439 -33.6439 -33.6426 -33.6426 4.4848 4.4848 5.3264 5.3264 7.2154 7.2154 7.7733 7.7733 8.4534 8.4534 8.9942 8.9942 9.1230 9.1230 10.6589 10.6589 11.4698 11.4698 14.9547 14.9547 15.4473 15.4473 17.3113 17.3113 k = 0.5000 0.1519 0.3975 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6425 -33.6425 4.4315 4.4315 5.3135 5.3135 7.2424 7.2424 7.7729 7.7729 8.4891 8.4891 8.9942 8.9942 9.1225 9.1225 10.7567 10.7567 11.5227 11.5227 14.9069 14.9069 15.4238 15.4238 17.1419 17.1419 k = 0.5000 0.1595 0.3868 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6425 -33.6425 4.3806 4.3806 5.3010 5.3010 7.2688 7.2688 7.7664 7.7664 8.5286 8.5286 8.9951 8.9951 9.1222 9.1222 10.8567 10.8567 11.5770 11.5770 14.8616 14.8616 15.3993 15.3993 16.9752 16.9752 k = 0.5000 0.1671 0.3760 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6424 -33.6424 4.3322 4.3322 5.2890 5.2890 7.2943 7.2943 7.7558 7.7558 8.5697 8.5697 8.9970 8.9970 9.1220 9.1220 10.9587 10.9587 11.6324 11.6324 14.8191 14.8191 15.3734 15.3734 16.8115 16.8115 k = 0.5000 0.1747 0.3653 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6424 -33.6424 4.2864 4.2864 5.2775 5.2775 7.3187 7.3187 7.7426 7.7426 8.6102 8.6102 9.0002 9.0002 9.1219 9.1219 11.0624 11.0624 11.6886 11.6886 14.7797 14.7797 15.3460 15.3460 16.6513 16.6513 k = 0.5000 0.1823 0.3545 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4888 -34.4888 -33.6437 -33.6437 -33.6423 -33.6423 4.2433 4.2433 5.2666 5.2666 7.3417 7.3417 7.7283 7.7283 8.6489 8.6489 9.0048 9.0048 9.1221 9.1221 11.1674 11.1674 11.7453 11.7453 14.7440 14.7440 15.3167 15.3167 16.4948 16.4948 k = 0.5000 0.1899 0.3438 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4888 -34.4888 -33.6437 -33.6437 -33.6423 -33.6423 4.2029 4.2029 5.2563 5.2563 7.3632 7.3632 7.7137 7.7137 8.6846 8.6846 9.0109 9.0109 9.1224 9.1224 11.2732 11.2732 11.8022 11.8022 14.7122 14.7122 15.2855 15.2855 16.3424 16.3424 k = 0.5000 0.1975 0.3330 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6422 -33.6422 4.1653 4.1653 5.2466 5.2466 7.3829 7.3829 7.6995 7.6995 8.7163 8.7163 9.0186 9.0186 9.1231 9.1231 11.3790 11.3790 11.8587 11.8587 14.6849 14.6849 15.2521 15.2521 16.1944 16.1944 k = 0.5000 0.2051 0.3223 ( 6364 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6422 -33.6422 4.1306 4.1306 5.2375 5.2375 7.4006 7.4006 7.6865 7.6865 8.7438 8.7438 9.0279 9.0279 9.1241 9.1241 11.4842 11.4842 11.9147 11.9147 14.6624 14.6624 15.2164 15.2164 16.0511 16.0511 k = 0.5000 0.2127 0.3116 ( 6362 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6421 -33.6421 4.0987 4.0987 5.2292 5.2292 7.4161 7.4161 7.6750 7.6750 8.7669 8.7669 9.0383 9.0383 9.1257 9.1257 11.5877 11.5877 11.9695 11.9695 14.6452 14.6452 15.1785 15.1785 15.9129 15.9129 k = 0.5000 0.2203 0.3008 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6421 -33.6421 4.0698 4.0698 5.2216 5.2216 7.4291 7.4291 7.6654 7.6654 8.7857 8.7857 9.0493 9.0493 9.1279 9.1279 11.6883 11.6883 12.0227 12.0227 14.6337 14.6337 15.1386 15.1386 15.7800 15.7800 k = 0.5000 0.2279 0.2901 ( 6360 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0438 4.0438 5.2148 5.2148 7.4396 7.4396 7.6577 7.6577 8.8007 8.8007 9.0602 9.0602 9.1309 9.1309 11.7845 11.7845 12.0740 12.0740 14.6285 14.6285 15.0971 15.0971 15.6528 15.6528 k = 0.5000 0.2355 0.2793 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0208 4.0208 5.2087 5.2087 7.4476 7.4476 7.6522 7.6522 8.8125 8.8125 9.0700 9.0700 9.1350 9.1350 11.8747 11.8747 12.1229 12.1229 14.6300 14.6300 15.0549 15.0549 15.5319 15.5319 k = 0.5000 0.2431 0.2686 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0009 4.0009 5.2034 5.2034 7.4534 7.4534 7.6486 7.6486 8.8215 8.8215 9.0782 9.0782 9.1400 9.1400 11.9568 11.9568 12.1692 12.1692 14.6384 14.6384 15.0130 15.0130 15.4175 15.4175 k = 0.5000 0.2507 0.2578 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9839 3.9839 5.1989 5.1989 7.4572 7.4572 7.6466 7.6466 8.8284 8.8284 9.0845 9.0845 9.1458 9.1458 12.0287 12.0287 12.2125 12.2125 14.6542 14.6542 14.9730 14.9730 15.3101 15.3101 k = 0.5000 0.2583 0.2471 ( 6358 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9700 3.9700 5.1951 5.1951 7.4595 7.4595 7.6458 7.6458 8.8335 8.8335 9.0890 9.0890 9.1517 9.1517 12.0881 12.0881 12.2522 12.2522 14.6773 14.6773 14.9369 14.9369 15.2104 15.2104 k = 0.5000 0.2659 0.2364 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9592 3.9592 5.1923 5.1923 7.4607 7.4607 7.6457 7.6457 8.8371 8.8371 9.0920 9.0920 9.1571 9.1571 12.1340 12.1340 12.2870 12.2870 14.7071 14.7071 14.9071 14.9071 15.1190 15.1190 k = 0.5000 0.2735 0.2256 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9515 3.9515 5.1902 5.1902 7.4613 7.4613 7.6459 7.6459 8.8396 8.8396 9.0940 9.0940 9.1613 9.1613 12.1660 12.1660 12.3147 12.3147 14.7417 14.7417 14.8870 14.8870 15.0371 15.0371 k = 0.5000 0.2811 0.2149 ( 6364 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9469 3.9469 5.1889 5.1889 7.4615 7.4615 7.6462 7.6462 8.8410 8.8410 9.0951 9.0951 9.1640 9.1640 12.1847 12.1847 12.3327 12.3327 14.7740 14.7740 14.8833 14.8833 14.9673 14.9673 k = 0.5000 0.2887 0.2041 ( 6394 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9453 3.9453 5.1885 5.1885 7.4616 7.4616 7.6463 7.6463 8.8414 8.8414 9.0954 9.0954 9.1649 9.1649 12.1908 12.1908 12.3389 12.3389 14.7880 14.7880 14.8981 14.8981 14.9245 14.9245 k = 0.5000 0.2887 0.2041 ( 6394 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9453 3.9453 5.1885 5.1885 7.4616 7.4616 7.6463 7.6463 8.8414 8.8414 9.0954 9.0954 9.1649 9.1649 12.1908 12.1908 12.3389 12.3389 14.7880 14.7880 14.8981 14.8981 14.9245 14.9245 k = 0.4962 0.2865 0.2165 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4890 -34.4890 -33.6436 -33.6436 -33.6419 -33.6419 3.9469 3.9469 5.1889 5.1889 7.4615 7.4615 7.6462 7.6462 8.8410 8.8410 9.0951 9.0951 9.1640 9.1640 12.1847 12.1847 12.3327 12.3327 14.7740 14.7740 14.8833 14.8833 14.9671 14.9671 k = 0.4924 0.2843 0.2289 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9515 3.9515 5.1902 5.1902 7.4613 7.4613 7.6459 7.6459 8.8396 8.8396 9.0940 9.0940 9.1613 9.1613 12.1661 12.1661 12.3148 12.3148 14.7418 14.7418 14.8873 14.8873 15.0366 15.0366 k = 0.4886 0.2821 0.2412 ( 6362 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9592 3.9592 5.1922 5.1922 7.4607 7.4607 7.6457 7.6457 8.8371 8.8371 9.0920 9.0920 9.1572 9.1572 12.1343 12.1343 12.2873 12.2873 14.7065 14.7065 14.9086 14.9086 15.1175 15.1175 k = 0.4848 0.2799 0.2536 ( 6360 PWs) bands (ev): -66.9190 -66.9190 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9699 3.9699 5.1951 5.1951 7.4595 7.4595 7.6458 7.6458 8.8335 8.8335 9.0889 9.0889 9.1519 9.1519 12.0887 12.0887 12.2527 12.2527 14.6747 14.6747 14.9421 14.9421 15.2066 15.2066 k = 0.4811 0.2777 0.2660 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6419 -33.6419 3.9837 3.9837 5.1988 5.1988 7.4572 7.4572 7.6466 7.6466 8.8285 8.8285 9.0841 9.0841 9.1463 9.1463 12.0296 12.0296 12.2132 12.2132 14.6479 14.6479 14.9855 14.9855 15.3020 15.3020 k = 0.4773 0.2756 0.2784 ( 6356 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0005 4.0005 5.2033 5.2033 7.4533 7.4533 7.6487 7.6487 8.8219 8.8219 9.0771 9.0771 9.1411 9.1411 11.9583 11.9583 12.1701 12.1701 14.6258 14.6258 15.0378 15.0378 15.4022 15.4022 k = 0.4735 0.2734 0.2907 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0204 4.0204 5.2086 5.2086 7.4474 7.4474 7.6525 7.6525 8.8133 8.8133 9.0672 9.0672 9.1374 9.1374 11.8769 11.8769 12.1239 12.1239 14.6081 14.6081 15.0981 15.0981 15.5059 15.5059 k = 0.4697 0.2712 0.3031 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6420 -33.6420 4.0433 4.0433 5.2146 5.2146 7.4390 7.4390 7.6585 7.6585 8.8024 8.8024 9.0545 9.0545 9.1354 9.1354 11.7877 11.7877 12.0750 12.0750 14.5939 14.5939 15.1657 15.1657 15.6121 15.6121 k = 0.4659 0.2690 0.3155 ( 6355 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4889 -34.4889 -33.6436 -33.6436 -33.6421 -33.6421 4.0691 4.0691 5.2214 5.2214 7.4278 7.4278 7.6668 7.6668 8.7888 8.7888 9.0394 9.0394 9.1354 9.1354 11.6929 11.6929 12.0234 12.0234 14.5827 14.5827 15.2398 15.2398 15.7199 15.7199 k = 0.4621 0.2668 0.3278 ( 6354 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6421 -33.6421 4.0979 4.0979 5.2290 5.2290 7.4137 7.4137 7.6777 7.6777 8.7721 8.7721 9.0223 9.0223 9.1372 9.1372 11.5944 11.5944 11.9695 11.9695 14.5739 14.5739 15.3199 15.3199 15.8287 15.8287 k = 0.4583 0.2646 0.3402 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6422 -33.6422 4.1296 4.1296 5.2372 5.2372 7.3966 7.3966 7.6911 7.6911 8.7520 8.7520 9.0040 9.0040 9.1406 9.1406 11.4936 11.4936 11.9135 11.9135 14.5670 14.5670 15.4052 15.4052 15.9382 15.9382 k = 0.4545 0.2624 0.3526 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5389 -37.5389 -34.4888 -34.4888 -33.6437 -33.6437 -33.6422 -33.6422 4.1641 4.1641 5.2462 5.2462 7.3766 7.3766 7.7069 7.7069 8.7282 8.7282 8.9850 8.9850 9.1455 9.1455 11.3920 11.3920 11.8557 11.8557 14.5616 14.5616 15.4953 15.4953 16.0482 16.0482 k = 0.4508 0.2602 0.3649 ( 6365 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4888 -34.4888 -33.6437 -33.6437 -33.6423 -33.6423 4.2015 4.2015 5.2558 5.2558 7.3537 7.3537 7.7251 7.7251 8.7005 8.7005 8.9657 8.9657 9.1518 9.1518 11.2905 11.2905 11.7965 11.7965 14.5573 14.5573 15.5895 15.5895 16.1587 16.1587 k = 0.4470 0.2581 0.3773 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4888 -34.4888 -33.6437 -33.6437 -33.6423 -33.6423 4.2416 4.2416 5.2660 5.2660 7.3279 7.3279 7.7454 7.7454 8.6692 8.6692 8.9464 8.9464 9.1594 9.1594 11.1902 11.1902 11.7360 11.7360 14.5538 14.5538 15.6875 15.6875 16.2695 16.2695 k = 0.4432 0.2559 0.3897 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6424 -33.6424 4.2845 4.2845 5.2767 5.2767 7.2993 7.2993 7.7677 7.7677 8.6343 8.6343 8.9274 8.9274 9.1682 9.1682 11.0917 11.0917 11.6746 11.6746 14.5509 14.5509 15.7887 15.7887 16.3807 16.3807 k = 0.4394 0.2537 0.4021 ( 6366 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6424 -33.6424 4.3300 4.3300 5.2880 5.2880 7.2678 7.2678 7.7918 7.7918 8.5964 8.5964 8.9086 8.9086 9.1781 9.1781 10.9956 10.9956 11.6125 11.6125 14.5483 14.5483 15.8926 15.8926 16.4920 16.4920 k = 0.4356 0.2515 0.4144 ( 6369 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6425 -33.6425 4.3781 4.3781 5.2996 5.2996 7.2334 7.2334 7.8177 7.8177 8.5560 8.5560 8.8900 8.8900 9.1889 9.1889 10.9025 10.9025 11.5499 11.5499 14.5459 14.5459 15.9988 15.9988 16.6031 16.6031 k = 0.4318 0.2493 0.4268 ( 6369 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4887 -34.4887 -33.6438 -33.6438 -33.6425 -33.6425 4.4287 4.4287 5.3116 5.3116 7.1961 7.1961 7.8451 7.8451 8.5139 8.5139 8.8717 8.8717 9.2006 9.2006 10.8128 10.8128 11.4869 11.4869 14.5436 14.5436 16.1069 16.1069 16.7131 16.7131 k = 0.4280 0.2471 0.4392 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5390 -37.5390 -34.4886 -34.4886 -33.6439 -33.6439 -33.6426 -33.6426 4.4817 4.4817 5.3239 5.3239 7.1558 7.1558 7.8739 7.8739 8.4709 8.4709 8.8536 8.8536 9.2128 9.2128 10.7266 10.7266 11.4239 11.4239 14.5412 14.5412 16.2162 16.2162 16.8204 16.8204 k = 0.4242 0.2449 0.4515 ( 6381 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6426 -33.6426 4.5370 4.5370 5.3362 5.3362 7.1124 7.1124 7.9038 7.9038 8.4277 8.4277 8.8357 8.8357 9.2255 9.2255 10.6445 10.6445 11.3609 11.3609 14.5386 14.5386 16.3264 16.3264 16.9217 16.9217 k = 0.4205 0.2427 0.4639 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6439 -33.6439 -33.6427 -33.6427 4.5945 4.5945 5.3485 5.3485 7.0660 7.0660 7.9347 7.9347 8.3854 8.3854 8.8180 8.8180 9.2384 9.2384 10.5664 10.5664 11.2980 11.2980 14.5358 14.5358 16.4367 16.4367 17.0098 17.0098 k = 0.4167 0.2406 0.4763 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4886 -34.4886 -33.6440 -33.6440 -33.6427 -33.6427 4.6540 4.6540 5.3606 5.3606 7.0167 7.0167 7.9661 7.9661 8.3450 8.3450 8.8006 8.8006 9.2512 9.2512 10.4927 10.4927 11.2354 11.2354 14.5327 14.5327 16.5468 16.5468 17.0714 17.0714 k = 0.4129 0.2384 0.4887 ( 6373 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6440 -33.6440 -33.6428 -33.6428 4.7154 4.7154 5.3722 5.3722 6.9645 6.9645 7.9974 7.9974 8.3076 8.3076 8.7834 8.7834 9.2636 9.2636 10.4237 10.4237 11.1733 11.1733 14.5292 14.5292 16.6557 16.6557 17.0891 17.0891 k = 0.4091 0.2362 0.5010 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6428 -33.6428 4.7785 4.7785 5.3829 5.3829 6.9099 6.9099 8.0276 8.0276 8.2747 8.2747 8.7667 8.7667 9.2752 9.2752 10.3594 10.3594 11.1117 11.1117 14.5253 14.5253 16.7627 16.7627 17.0603 17.0603 k = 0.4053 0.2340 0.5134 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6428 -33.6428 4.8430 4.8430 5.3925 5.3925 6.8533 6.8533 8.0549 8.0549 8.2486 8.2486 8.7505 8.7505 9.2855 9.2855 10.3004 10.3004 11.0507 11.0507 14.5209 14.5209 16.8666 16.8666 17.0019 17.0019 k = 0.4015 0.2318 0.5258 ( 6372 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4885 -34.4885 -33.6441 -33.6441 -33.6429 -33.6429 4.9089 4.9089 5.4005 5.4005 6.7953 6.7953 8.0758 8.0758 8.2328 8.2328 8.7351 8.7351 9.2940 9.2940 10.2469 10.2469 10.9905 10.9905 14.5161 14.5161 16.9225 16.9225 16.9733 16.9733 k = 0.3977 0.2296 0.5381 ( 6370 PWs) bands (ev): -66.9189 -66.9189 -37.5391 -37.5391 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 4.9756 4.9756 5.4062 5.4062 6.7370 6.7370 8.0864 8.0864 8.2314 8.2314 8.7209 8.7209 9.3001 9.3001 10.1995 10.1995 10.9312 10.9312 14.5107 14.5107 16.8458 16.8458 17.0667 17.0667 k = 0.3939 0.2274 0.5505 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 5.0430 5.0430 5.4089 5.4089 6.6793 6.6793 8.0863 8.0863 8.2444 8.2444 8.7082 8.7082 9.3030 9.3030 10.1586 10.1586 10.8728 10.8728 14.5049 14.5049 16.7643 16.7643 17.1575 17.1575 k = 0.3902 0.2253 0.5629 ( 6370 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6442 -33.6442 -33.6429 -33.6429 5.1105 5.1105 5.4080 5.4080 6.6238 6.6238 8.0806 8.0806 8.2663 8.2663 8.6976 8.6976 9.3022 9.3022 10.1248 10.1248 10.8156 10.8156 14.4985 14.4985 16.6824 16.6824 17.2422 17.2422 k = 0.3864 0.2231 0.5753 ( 6368 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6443 -33.6443 -33.6429 -33.6429 5.1773 5.1773 5.4026 5.4026 6.5721 6.5721 8.0740 8.0740 8.2917 8.2917 8.6900 8.6900 9.2971 9.2971 10.0986 10.0986 10.7596 10.7596 14.4916 14.4916 16.6015 16.6015 17.3199 17.3199 k = 0.3826 0.2209 0.5876 ( 6365 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4884 -34.4884 -33.6443 -33.6443 -33.6430 -33.6430 5.2418 5.2418 5.3928 5.3928 6.5258 6.5258 8.0693 8.0693 8.3165 8.3165 8.6865 8.6865 9.2874 9.2874 10.0802 10.0802 10.7050 10.7050 14.4841 14.4841 16.5222 16.5222 17.3898 17.3898 k = 0.3788 0.2187 0.6000 ( 6357 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6443 -33.6443 -33.6430 -33.6430 5.2971 5.2971 5.3841 5.3841 6.4869 6.4869 8.0678 8.0678 8.3384 8.3384 8.6881 8.6881 9.2730 9.2730 10.0698 10.0698 10.6520 10.6520 14.4761 14.4761 16.4448 16.4448 17.4516 17.4516 k = 0.3750 0.2165 0.6124 ( 6343 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3124 5.3124 5.4055 5.4055 6.4568 6.4568 8.0701 8.0701 8.3553 8.3553 8.6960 8.6960 9.2543 9.2543 10.0670 10.0670 10.6008 10.6008 14.4676 14.4676 16.3695 16.3695 17.5054 17.5054 k = 0.6250-0.0722 0.4082 ( 6343 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.3124 5.3124 5.4055 5.4055 6.4568 6.4568 8.0701 8.0701 8.3553 8.3553 8.6960 8.6960 9.2543 9.2543 10.0670 10.0670 10.6008 10.6008 14.4676 14.4676 16.3695 16.3695 17.5054 17.5054 k = 0.6184-0.0836 0.4082 ( 6359 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6444 -33.6444 -33.6430 -33.6430 5.2895 5.2895 5.4819 5.4819 6.4135 6.4135 8.0807 8.0807 8.3808 8.3808 8.7151 8.7151 9.2194 9.2194 10.0665 10.0665 10.5142 10.5142 14.4519 14.4519 16.2430 16.2430 17.5934 17.5934 k = 0.6118-0.0950 0.4082 ( 6375 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6445 -33.6445 -33.6430 -33.6430 5.2671 5.2671 5.5550 5.5550 6.3714 6.3714 8.0977 8.0977 8.4084 8.4084 8.7330 8.7330 9.1867 9.1867 10.0619 10.0619 10.4291 10.4291 14.4349 14.4349 16.1224 16.1224 17.6843 17.6843 k = 0.6053-0.1064 0.4082 ( 6391 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6445 -33.6445 -33.6430 -33.6430 5.2458 5.2458 5.6239 5.6239 6.3306 6.3306 8.1213 8.1213 8.4381 8.4381 8.7498 8.7498 9.1563 9.1563 10.0528 10.0528 10.3456 10.3456 14.4166 14.4166 16.0083 16.0083 17.7780 17.7780 k = 0.5987-0.1177 0.4082 ( 6389 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4883 -34.4883 -33.6445 -33.6445 -33.6430 -33.6430 5.2257 5.2257 5.6882 5.6882 6.2915 6.2915 8.1513 8.1513 8.4697 8.4697 8.7653 8.7653 9.1281 9.1281 10.0392 10.0392 10.2636 10.2636 14.3969 14.3969 15.9013 15.9013 17.8744 17.8744 k = 0.5921-0.1291 0.4082 ( 6373 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.2068 5.2068 5.7475 5.7475 6.2543 6.2543 8.1878 8.1878 8.5032 8.5032 8.7794 8.7794 9.1024 9.1024 10.0207 10.0207 10.1832 10.1832 14.3757 14.3757 15.8020 15.8020 17.9733 17.9733 k = 0.5855-0.1405 0.4082 ( 6375 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.1892 5.1892 5.8017 5.8017 6.2194 6.2194 8.2304 8.2304 8.5383 8.5383 8.7921 8.7921 9.0791 9.0791 9.9973 9.9973 10.1044 10.1044 14.3532 14.3532 15.7107 15.7107 18.0746 18.0746 k = 0.5789-0.1519 0.4082 ( 6379 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6446 -33.6446 -33.6430 -33.6430 5.1728 5.1728 5.8504 5.8504 6.1869 6.1869 8.2789 8.2789 8.5751 8.5751 8.8033 8.8033 9.0583 9.0583 9.9688 9.9688 10.0273 10.0273 14.3294 14.3294 15.6278 15.6278 18.1778 18.1778 k = 0.5724-0.1633 0.4082 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6447 -33.6447 -33.6430 -33.6430 5.1577 5.1577 5.8935 5.8935 6.1574 6.1574 8.3327 8.3327 8.6135 8.6135 8.8129 8.8129 9.0403 9.0403 9.9352 9.9352 9.9521 9.9521 14.3046 14.3046 15.5533 15.5533 18.2827 18.2827 k = 0.5658-0.1747 0.4082 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4882 -34.4882 -33.6447 -33.6447 -33.6430 -33.6430 5.1439 5.1439 5.9303 5.9303 6.1316 6.1316 8.3912 8.3912 8.6533 8.6533 8.8210 8.8210 9.0251 9.0251 9.8780 9.8780 9.8974 9.8974 14.2792 14.2792 15.4872 15.4872 18.3888 18.3888 k = 0.5592-0.1861 0.4082 ( 6371 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6447 -33.6447 -33.6430 -33.6430 5.1315 5.1315 5.9600 5.9600 6.1107 6.1107 8.4537 8.4537 8.6944 8.6944 8.8276 8.8276 9.0127 9.0127 9.8064 9.8064 9.8541 9.8541 14.2537 14.2537 15.4293 15.4293 18.4955 18.4955 k = 0.5526-0.1975 0.4082 ( 6373 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.1203 5.1203 5.9807 5.9807 6.0968 6.0968 8.5191 8.5191 8.7365 8.7365 8.8333 8.8333 9.0032 9.0032 9.7368 9.7368 9.8063 9.8063 14.2286 14.2286 15.3792 15.3792 18.6018 18.6018 k = 0.5461-0.2089 0.4082 ( 6376 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.1104 5.1104 5.9900 5.9900 6.0926 6.0926 8.5859 8.5859 8.7787 8.7787 8.8392 8.8392 8.9967 8.9967 9.6694 9.6694 9.7545 9.7545 14.2046 14.2046 15.3366 15.3366 18.7066 18.7066 k = 0.5395-0.2203 0.4082 ( 6378 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.1018 5.1018 5.9890 5.9890 6.0973 6.0973 8.6517 8.6517 8.8176 8.8176 8.8498 8.8498 8.9930 8.9930 9.6047 9.6047 9.6990 9.6990 14.1822 14.1822 15.3009 15.3009 18.8084 18.8084 k = 0.5329-0.2317 0.4082 ( 6378 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0946 5.0946 5.9824 5.9824 6.1066 6.1066 8.7120 8.7120 8.8421 8.8421 8.8786 8.8786 8.9927 8.9927 9.5430 9.5430 9.6409 9.6409 14.1621 14.1621 15.2717 15.2717 18.9049 18.9049 k = 0.5263-0.2431 0.4082 ( 6382 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0887 5.0887 5.9743 5.9743 6.1164 6.1164 8.7582 8.7582 8.8641 8.8641 8.9177 8.9177 8.9975 8.9975 9.4854 9.4854 9.5814 9.5814 14.1449 14.1449 15.2485 15.2485 18.9932 18.9932 k = 0.5197-0.2545 0.4082 ( 6370 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0840 5.0840 5.9669 5.9669 6.1250 6.1250 8.7832 8.7832 8.8962 8.8962 8.9522 8.9522 9.0130 9.0130 9.4335 9.4335 9.5228 9.5228 14.1310 14.1310 15.2310 15.2310 19.0697 19.0697 k = 0.5132-0.2659 0.4082 ( 6362 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0807 5.0807 5.9611 5.9611 6.1314 6.1314 8.7935 8.7935 8.9263 8.9263 8.9769 8.9769 9.0427 9.0427 9.3899 9.3899 9.4693 9.4693 14.1207 14.1207 15.2187 15.2187 19.1295 19.1295 k = 0.5066-0.2773 0.4082 ( 6362 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0788 5.0788 5.9575 5.9575 6.1354 6.1354 8.7973 8.7973 8.9419 8.9419 8.9964 8.9964 9.0736 9.0736 9.3594 9.3594 9.4287 9.4287 14.1145 14.1145 15.2114 15.2114 19.1681 19.1681 k = 0.5000-0.2887 0.4082 ( 6346 PWs) bands (ev): -66.9189 -66.9189 -37.5392 -37.5392 -34.4881 -34.4881 -33.6448 -33.6448 -33.6429 -33.6429 5.0781 5.0781 5.9563 5.9563 6.1367 6.1367 8.7983 8.7983 8.9459 8.9459 9.0047 9.0047 9.0870 9.0870 9.3481 9.3481 9.4128 9.4128 14.1124 14.1124 15.2090 15.2090 19.1814 19.1814 Writing output data file LiAl2Rh.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 122.22s CPU 124.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 122.22s CPU 124.01s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 353 calls) cegterg : 107.42s CPU 108.76s WALL ( 388 calls) Called by sum_band: Called by *egterg: h_psi : 81.63s CPU 82.95s WALL ( 6508 calls) s_psi : 3.12s CPU 3.04s WALL ( 6508 calls) g_psi : 0.23s CPU 0.22s WALL ( 5767 calls) cdiaghg : 23.40s CPU 23.97s WALL ( 6120 calls) cegterg:over : 3.52s CPU 3.55s WALL ( 5767 calls) cegterg:upda : 3.61s CPU 3.33s WALL ( 5767 calls) cegterg:last : 1.87s CPU 1.99s WALL ( 1094 calls) cdiaghg:chol : 1.28s CPU 1.39s WALL ( 6120 calls) cdiaghg:inve : 0.53s CPU 0.58s WALL ( 6120 calls) cdiaghg:para : 1.32s CPU 1.48s WALL ( 12240 calls) Called by h_psi: h_psi:vloc : 74.74s CPU 75.85s WALL ( 6508 calls) h_psi:vnl : 6.72s CPU 6.91s WALL ( 6508 calls) add_vuspsi : 3.56s CPU 3.56s WALL ( 6508 calls) General routines calbec : 3.15s CPU 3.33s WALL ( 6508 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 71.12s CPU 72.06s WALL ( 489316 calls) davcio : 0.16s CPU 0.21s WALL ( 706 calls) Parallel routines fft_scatter : 21.98s CPU 22.35s WALL ( 489331 calls) PWSCF : 2m17.74s CPU 2m30.70s WALL This run was terminated on: 18:31:58 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=