Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:51 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: ./SnS.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 30 23 7 673 448 73 Max 31 24 8 677 463 76 Sum 1111 847 253 24309 16361 2685 bravais-lattice index = 14 lattice parameter (alat) = 8.0174 a.u. unit-cell volume = 364.4100 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.017428 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 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 0.3113208), 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 0.3867925), 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 0.4622642), 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 0.6018519), 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 0.1481482 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 0.1086957 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 0.1413044 0.1413044), 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 0.3913044 0.3913044), wk = 0.0028329 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028329 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028329 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028329 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028329 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028329 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028329 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028329 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028329 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028329 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028329 k( 209) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028329 k( 210) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028329 k( 211) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028329 k( 212) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028329 k( 213) = ( 0.5227273 0.4545455 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 0.5454546), wk = 0.0028329 k( 220) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028329 k( 221) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028329 k( 222) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028329 k( 223) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028329 k( 224) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028329 k( 225) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028329 k( 226) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028329 k( 227) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028329 k( 228) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028329 k( 229) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028329 k( 230) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028329 k( 231) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028329 k( 232) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028329 k( 233) = ( 0.5984848 0.3030303 0.5984849), wk = 0.0028329 k( 234) = ( 0.6022727 0.2954546 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 0.6315790), 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 0.6315790), 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 0.4934211 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 0.4734849 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 0.4545455 0.5909091), wk = 0.0028329 k( 313) = ( 0.4507576 0.4507576 0.5984849), 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 0.4204546 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 0.1315790 0.5657895), wk = 0.0028329 k( 344) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028329 k( 345) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028329 k( 346) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028329 k( 347) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028329 k( 348) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028329 k( 349) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028329 k( 350) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028329 k( 351) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028329 k( 352) = ( 0.5065789 0.0131579 0.5065790), wk = 0.0028329 k( 353) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 Dense grid: 24309 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 126, 28) NL pseudopotentials 0.07 Mb ( 63, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 676) G-vector shells 0.00 Mb ( 242) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 126, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.7 secs Computing kpt #: 23 total cpu time spent up to now is 4.8 secs Computing kpt #: 24 total cpu time spent up to now is 4.9 secs Computing kpt #: 25 total cpu time spent up to now is 5.1 secs Computing kpt #: 26 total cpu time spent up to now is 5.2 secs Computing kpt #: 27 total cpu time spent up to now is 5.3 secs Computing kpt #: 28 total cpu time spent up to now is 5.4 secs Computing kpt #: 29 total cpu time spent up to now is 5.6 secs Computing kpt #: 30 total cpu time spent up to now is 5.7 secs Computing kpt #: 31 total cpu time spent up to now is 5.8 secs Computing kpt #: 32 total cpu time spent up to now is 5.9 secs Computing kpt #: 33 total cpu time spent up to now is 6.0 secs Computing kpt #: 34 total cpu time spent up to now is 6.2 secs Computing kpt #: 35 total cpu time spent up to now is 6.3 secs Computing kpt #: 36 total cpu time spent up to now is 6.4 secs Computing kpt #: 37 total cpu time spent up to now is 6.5 secs Computing kpt #: 38 total cpu time spent up to now is 6.6 secs Computing kpt #: 39 total cpu time spent up to now is 6.7 secs Computing kpt #: 40 total cpu time spent up to now is 6.8 secs Computing kpt #: 41 total cpu time spent up to now is 6.9 secs Computing kpt #: 42 total cpu time spent up to now is 7.0 secs Computing kpt #: 43 total cpu time spent up to now is 7.1 secs Computing kpt #: 44 total cpu time spent up to now is 7.2 secs Computing kpt #: 45 total cpu time spent up to now is 7.3 secs Computing kpt #: 46 total cpu time spent up to now is 7.4 secs Computing kpt #: 47 total cpu time spent up to now is 7.5 secs Computing kpt #: 48 total cpu time spent up to now is 7.6 secs Computing kpt #: 49 total cpu time spent up to now is 7.7 secs Computing kpt #: 50 total cpu time spent up to now is 7.8 secs Computing kpt #: 51 total cpu time spent up to now is 7.9 secs Computing kpt #: 52 total cpu time spent up to now is 8.0 secs Computing kpt #: 53 total cpu time spent up to now is 8.1 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.3 secs Computing kpt #: 56 total cpu time spent up to now is 8.4 secs Computing kpt #: 57 total cpu time spent up to now is 8.5 secs Computing kpt #: 58 total cpu time spent up to now is 8.6 secs Computing kpt #: 59 total cpu time spent up to now is 8.7 secs Computing kpt #: 60 total cpu time spent up to now is 8.8 secs Computing kpt #: 61 total cpu time spent up to now is 8.8 secs Computing kpt #: 62 total cpu time spent up to now is 8.9 secs Computing kpt #: 63 total cpu time spent up to now is 9.0 secs Computing kpt #: 64 total cpu time spent up to now is 9.1 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.5 secs Computing kpt #: 69 total cpu time spent up to now is 9.6 secs Computing kpt #: 70 total cpu time spent up to now is 9.7 secs Computing kpt #: 71 total cpu time spent up to now is 9.8 secs Computing kpt #: 72 total cpu time spent up to now is 9.9 secs Computing kpt #: 73 total cpu time spent up to now is 10.0 secs Computing kpt #: 74 total cpu time spent up to now is 10.1 secs Computing kpt #: 75 total cpu time spent up to now is 10.2 secs Computing kpt #: 76 total cpu time spent up to now is 10.3 secs Computing kpt #: 77 total cpu time spent up to now is 10.4 secs Computing kpt #: 78 total cpu time spent up to now is 10.5 secs Computing kpt #: 79 total cpu time spent up to now is 10.6 secs Computing kpt #: 80 total cpu time spent up to now is 10.7 secs Computing kpt #: 81 total cpu time spent up to now is 10.8 secs Computing kpt #: 82 total cpu time spent up to now is 11.0 secs Computing kpt #: 83 total cpu time spent up to now is 11.1 secs Computing kpt #: 84 total cpu time spent up to now is 11.2 secs Computing kpt #: 85 total cpu time spent up to now is 11.3 secs Computing kpt #: 86 total cpu time spent up to now is 11.4 secs Computing kpt #: 87 total cpu time spent up to now is 11.5 secs Computing kpt #: 88 total cpu time spent up to now is 11.6 secs Computing kpt #: 89 total cpu time spent up to now is 11.7 secs Computing kpt #: 90 total cpu time spent up to now is 11.9 secs Computing kpt #: 91 total cpu time spent up to now is 12.0 secs Computing kpt #: 92 total cpu time spent up to now is 12.1 secs Computing kpt #: 93 total cpu time spent up to now is 12.2 secs Computing kpt #: 94 total cpu time spent up to now is 12.3 secs Computing kpt #: 95 total cpu time spent up to now is 12.4 secs Computing kpt #: 96 total cpu time spent up to now is 12.5 secs Computing kpt #: 97 total cpu time spent up to now is 12.6 secs Computing kpt #: 98 total cpu time spent up to now is 12.7 secs Computing kpt #: 99 total cpu time spent up to now is 12.8 secs Computing kpt #: 100 total cpu time spent up to now is 12.9 secs Computing kpt #: 101 total cpu time spent up to now is 13.0 secs Computing kpt #: 102 total cpu time spent up to now is 13.1 secs Computing kpt #: 103 total cpu time spent up to now is 13.2 secs Computing kpt #: 104 total cpu time spent up to now is 13.3 secs Computing kpt #: 105 total cpu time spent up to now is 13.4 secs Computing kpt #: 106 total cpu time spent up to now is 13.6 secs Computing kpt #: 107 total cpu time spent up to now is 13.7 secs Computing kpt #: 108 total cpu time spent up to now is 13.8 secs Computing kpt #: 109 total cpu time spent up to now is 13.9 secs Computing kpt #: 110 total cpu time spent up to now is 14.0 secs Computing kpt #: 111 total cpu time spent up to now is 14.1 secs Computing kpt #: 112 total cpu time spent up to now is 14.3 secs Computing kpt #: 113 total cpu time spent up to now is 14.4 secs Computing kpt #: 114 total cpu time spent up to now is 14.5 secs Computing kpt #: 115 total cpu time spent up to now is 14.7 secs Computing kpt #: 116 total cpu time spent up to now is 14.8 secs Computing kpt #: 117 total cpu time spent up to now is 15.0 secs Computing kpt #: 118 total cpu time spent up to now is 15.3 secs Computing kpt #: 119 total cpu time spent up to now is 15.5 secs Computing kpt #: 120 total cpu time spent up to now is 15.7 secs Computing kpt #: 121 total cpu time spent up to now is 15.9 secs Computing kpt #: 122 total cpu time spent up to now is 16.0 secs Computing kpt #: 123 total cpu time spent up to now is 16.2 secs Computing kpt #: 124 total cpu time spent up to now is 16.3 secs Computing kpt #: 125 total cpu time spent up to now is 16.4 secs Computing kpt #: 126 total cpu time spent up to now is 16.6 secs Computing kpt #: 127 total cpu time spent up to now is 16.7 secs Computing kpt #: 128 total cpu time spent up to now is 16.8 secs Computing kpt #: 129 total cpu time spent up to now is 17.0 secs Computing kpt #: 130 total cpu time spent up to now is 17.1 secs Computing kpt #: 131 total cpu time spent up to now is 17.2 secs Computing kpt #: 132 total cpu time spent up to now is 17.3 secs Computing kpt #: 133 total cpu time spent up to now is 17.4 secs Computing kpt #: 134 total cpu time spent up to now is 17.6 secs Computing kpt #: 135 total cpu time spent up to now is 17.7 secs Computing kpt #: 136 total cpu time spent up to now is 17.8 secs Computing kpt #: 137 total cpu time spent up to now is 18.0 secs Computing kpt #: 138 total cpu time spent up to now is 18.1 secs Computing kpt #: 139 total cpu time spent up to now is 18.2 secs Computing kpt #: 140 total cpu time spent up to now is 18.3 secs Computing kpt #: 141 total cpu time spent up to now is 18.5 secs Computing kpt #: 142 total cpu time spent up to now is 18.6 secs Computing kpt #: 143 total cpu time spent up to now is 18.7 secs Computing kpt #: 144 total cpu time spent up to now is 18.8 secs Computing kpt #: 145 total cpu time spent up to now is 18.9 secs Computing kpt #: 146 total cpu time spent up to now is 19.1 secs Computing kpt #: 147 total cpu time spent up to now is 19.2 secs Computing kpt #: 148 total cpu time spent up to now is 19.3 secs Computing kpt #: 149 total cpu time spent up to now is 19.5 secs Computing kpt #: 150 total cpu time spent up to now is 19.7 secs Computing kpt #: 151 total cpu time spent up to now is 19.9 secs Computing kpt #: 152 total cpu time spent up to now is 20.2 secs Computing kpt #: 153 total cpu time spent up to now is 20.4 secs Computing kpt #: 154 total cpu time spent up to now is 20.7 secs Computing kpt #: 155 total cpu time spent up to now is 21.0 secs Computing kpt #: 156 total cpu time spent up to now is 21.2 secs Computing kpt #: 157 total cpu time spent up to now is 21.6 secs Computing kpt #: 158 total cpu time spent up to now is 21.8 secs Computing kpt #: 159 total cpu time spent up to now is 22.0 secs Computing kpt #: 160 total cpu time spent up to now is 22.2 secs Computing kpt #: 161 total cpu time spent up to now is 22.3 secs Computing kpt #: 162 total cpu time spent up to now is 22.6 secs Computing kpt #: 163 total cpu time spent up to now is 22.7 secs Computing kpt #: 164 total cpu time spent up to now is 22.9 secs Computing kpt #: 165 total cpu time spent up to now is 23.1 secs Computing kpt #: 166 total cpu time spent up to now is 23.3 secs Computing kpt #: 167 total cpu time spent up to now is 23.5 secs Computing kpt #: 168 total cpu time spent up to now is 23.7 secs Computing kpt #: 169 total cpu time spent up to now is 23.8 secs Computing kpt #: 170 total cpu time spent up to now is 24.0 secs Computing kpt #: 171 total cpu time spent up to now is 24.1 secs Computing kpt #: 172 total cpu time spent up to now is 24.3 secs Computing kpt #: 173 total cpu time spent up to now is 24.4 secs Computing kpt #: 174 total cpu time spent up to now is 24.5 secs Computing kpt #: 175 total cpu time spent up to now is 24.6 secs Computing kpt #: 176 total cpu time spent up to now is 24.7 secs Computing kpt #: 177 total cpu time spent up to now is 24.8 secs Computing kpt #: 178 total cpu time spent up to now is 25.0 secs Computing kpt #: 179 total cpu time spent up to now is 25.1 secs Computing kpt #: 180 total cpu time spent up to now is 25.2 secs Computing kpt #: 181 total cpu time spent up to now is 25.3 secs Computing kpt #: 182 total cpu time spent up to now is 25.5 secs Computing kpt #: 183 total cpu time spent up to now is 25.6 secs Computing kpt #: 184 total cpu time spent up to now is 25.7 secs Computing kpt #: 185 total cpu time spent up to now is 25.8 secs Computing kpt #: 186 total cpu time spent up to now is 26.0 secs Computing kpt #: 187 total cpu time spent up to now is 26.1 secs Computing kpt #: 188 total cpu time spent up to now is 26.2 secs Computing kpt #: 189 total cpu time spent up to now is 26.3 secs Computing kpt #: 190 total cpu time spent up to now is 26.4 secs Computing kpt #: 191 total cpu time spent up to now is 26.6 secs Computing kpt #: 192 total cpu time spent up to now is 26.7 secs Computing kpt #: 193 total cpu time spent up to now is 26.8 secs Computing kpt #: 194 total cpu time spent up to now is 26.9 secs Computing kpt #: 195 total cpu time spent up to now is 27.0 secs Computing kpt #: 196 total cpu time spent up to now is 27.2 secs Computing kpt #: 197 total cpu time spent up to now is 27.3 secs Computing kpt #: 198 total cpu time spent up to now is 27.4 secs Computing kpt #: 199 total cpu time spent up to now is 27.5 secs Computing kpt #: 200 total cpu time spent up to now is 27.6 secs Computing kpt #: 201 total cpu time spent up to now is 27.7 secs Computing kpt #: 202 total cpu time spent up to now is 27.8 secs Computing kpt #: 203 total cpu time spent up to now is 28.0 secs Computing kpt #: 204 total cpu time spent up to now is 28.1 secs Computing kpt #: 205 total cpu time spent up to now is 28.2 secs Computing kpt #: 206 total cpu time spent up to now is 28.3 secs Computing kpt #: 207 total cpu time spent up to now is 28.4 secs Computing kpt #: 208 total cpu time spent up to now is 28.5 secs Computing kpt #: 209 total cpu time spent up to now is 28.6 secs Computing kpt #: 210 total cpu time spent up to now is 28.7 secs Computing kpt #: 211 total cpu time spent up to now is 28.8 secs Computing kpt #: 212 total cpu time spent up to now is 28.9 secs Computing kpt #: 213 total cpu time spent up to now is 29.0 secs Computing kpt #: 214 total cpu time spent up to now is 29.1 secs Computing kpt #: 215 total cpu time spent up to now is 29.2 secs Computing kpt #: 216 total cpu time spent up to now is 29.4 secs Computing kpt #: 217 total cpu time spent up to now is 29.5 secs Computing kpt #: 218 total cpu time spent up to now is 29.6 secs Computing kpt #: 219 total cpu time spent up to now is 29.7 secs Computing kpt #: 220 total cpu time spent up to now is 29.8 secs Computing kpt #: 221 total cpu time spent up to now is 29.9 secs Computing kpt #: 222 total cpu time spent up to now is 30.1 secs Computing kpt #: 223 total cpu time spent up to now is 30.2 secs Computing kpt #: 224 total cpu time spent up to now is 30.3 secs Computing kpt #: 225 total cpu time spent up to now is 30.4 secs Computing kpt #: 226 total cpu time spent up to now is 30.5 secs Computing kpt #: 227 total cpu time spent up to now is 30.6 secs Computing kpt #: 228 total cpu time spent up to now is 30.7 secs Computing kpt #: 229 total cpu time spent up to now is 30.9 secs Computing kpt #: 230 total cpu time spent up to now is 31.0 secs Computing kpt #: 231 total cpu time spent up to now is 31.1 secs Computing kpt #: 232 total cpu time spent up to now is 31.2 secs Computing kpt #: 233 total cpu time spent up to now is 31.3 secs Computing kpt #: 234 total cpu time spent up to now is 31.4 secs Computing kpt #: 235 total cpu time spent up to now is 31.5 secs Computing kpt #: 236 total cpu time spent up to now is 31.6 secs Computing kpt #: 237 total cpu time spent up to now is 31.7 secs Computing kpt #: 238 total cpu time spent up to now is 31.8 secs Computing kpt #: 239 total cpu time spent up to now is 31.9 secs Computing kpt #: 240 total cpu time spent up to now is 32.0 secs Computing kpt #: 241 total cpu time spent up to now is 32.2 secs Computing kpt #: 242 total cpu time spent up to now is 32.3 secs Computing kpt #: 243 total cpu time spent up to now is 32.4 secs Computing kpt #: 244 total cpu time spent up to now is 32.5 secs Computing kpt #: 245 total cpu time spent up to now is 32.6 secs Computing kpt #: 246 total cpu time spent up to now is 32.7 secs Computing kpt #: 247 total cpu time spent up to now is 32.8 secs Computing kpt #: 248 total cpu time spent up to now is 32.9 secs Computing kpt #: 249 total cpu time spent up to now is 33.0 secs Computing kpt #: 250 total cpu time spent up to now is 33.1 secs Computing kpt #: 251 total cpu time spent up to now is 33.2 secs Computing kpt #: 252 total cpu time spent up to now is 33.3 secs Computing kpt #: 253 total cpu time spent up to now is 33.4 secs Computing kpt #: 254 total cpu time spent up to now is 33.5 secs Computing kpt #: 255 total cpu time spent up to now is 33.7 secs Computing kpt #: 256 total cpu time spent up to now is 33.8 secs Computing kpt #: 257 total cpu time spent up to now is 33.9 secs Computing kpt #: 258 total cpu time spent up to now is 34.0 secs Computing kpt #: 259 total cpu time spent up to now is 34.1 secs Computing kpt #: 260 total cpu time spent up to now is 34.3 secs Computing kpt #: 261 total cpu time spent up to now is 34.4 secs Computing kpt #: 262 total cpu time spent up to now is 34.5 secs Computing kpt #: 263 total cpu time spent up to now is 34.6 secs Computing kpt #: 264 total cpu time spent up to now is 34.7 secs Computing kpt #: 265 total cpu time spent up to now is 34.9 secs Computing kpt #: 266 total cpu time spent up to now is 35.0 secs Computing kpt #: 267 total cpu time spent up to now is 35.1 secs Computing kpt #: 268 total cpu time spent up to now is 35.2 secs Computing kpt #: 269 total cpu time spent up to now is 35.4 secs Computing kpt #: 270 total cpu time spent up to now is 35.5 secs Computing kpt #: 271 total cpu time spent up to now is 35.6 secs Computing kpt #: 272 total cpu time spent up to now is 35.7 secs Computing kpt #: 273 total cpu time spent up to now is 35.8 secs Computing kpt #: 274 total cpu time spent up to now is 35.9 secs Computing kpt #: 275 total cpu time spent up to now is 36.1 secs Computing kpt #: 276 total cpu time spent up to now is 36.7 secs Computing kpt #: 277 total cpu time spent up to now is 36.8 secs Computing kpt #: 278 total cpu time spent up to now is 36.9 secs Computing kpt #: 279 total cpu time spent up to now is 37.0 secs Computing kpt #: 280 total cpu time spent up to now is 37.2 secs Computing kpt #: 281 total cpu time spent up to now is 37.3 secs Computing kpt #: 282 total cpu time spent up to now is 37.4 secs Computing kpt #: 283 total cpu time spent up to now is 37.5 secs Computing kpt #: 284 total cpu time spent up to now is 37.7 secs Computing kpt #: 285 total cpu time spent up to now is 37.8 secs Computing kpt #: 286 total cpu time spent up to now is 37.9 secs Computing kpt #: 287 total cpu time spent up to now is 38.0 secs Computing kpt #: 288 total cpu time spent up to now is 38.1 secs Computing kpt #: 289 total cpu time spent up to now is 38.3 secs Computing kpt #: 290 total cpu time spent up to now is 38.4 secs Computing kpt #: 291 total cpu time spent up to now is 38.5 secs Computing kpt #: 292 total cpu time spent up to now is 38.6 secs Computing kpt #: 293 total cpu time spent up to now is 38.7 secs Computing kpt #: 294 total cpu time spent up to now is 38.8 secs Computing kpt #: 295 total cpu time spent up to now is 39.0 secs Computing kpt #: 296 total cpu time spent up to now is 39.1 secs Computing kpt #: 297 total cpu time spent up to now is 39.2 secs Computing kpt #: 298 total cpu time spent up to now is 39.3 secs Computing kpt #: 299 total cpu time spent up to now is 39.4 secs Computing kpt #: 300 total cpu time spent up to now is 39.5 secs Computing kpt #: 301 total cpu time spent up to now is 39.6 secs Computing kpt #: 302 total cpu time spent up to now is 39.7 secs Computing kpt #: 303 total cpu time spent up to now is 39.8 secs Computing kpt #: 304 total cpu time spent up to now is 39.9 secs Computing kpt #: 305 total cpu time spent up to now is 40.0 secs Computing kpt #: 306 total cpu time spent up to now is 40.1 secs Computing kpt #: 307 total cpu time spent up to now is 40.3 secs Computing kpt #: 308 total cpu time spent up to now is 40.4 secs Computing kpt #: 309 total cpu time spent up to now is 40.5 secs Computing kpt #: 310 total cpu time spent up to now is 40.6 secs Computing kpt #: 311 total cpu time spent up to now is 40.7 secs Computing kpt #: 312 total cpu time spent up to now is 40.8 secs Computing kpt #: 313 total cpu time spent up to now is 41.0 secs Computing kpt #: 314 total cpu time spent up to now is 41.1 secs Computing kpt #: 315 total cpu time spent up to now is 41.3 secs Computing kpt #: 316 total cpu time spent up to now is 41.4 secs Computing kpt #: 317 total cpu time spent up to now is 41.5 secs Computing kpt #: 318 total cpu time spent up to now is 41.6 secs Computing kpt #: 319 total cpu time spent up to now is 41.7 secs Computing kpt #: 320 total cpu time spent up to now is 41.9 secs Computing kpt #: 321 total cpu time spent up to now is 42.0 secs Computing kpt #: 322 total cpu time spent up to now is 42.1 secs Computing kpt #: 323 total cpu time spent up to now is 42.2 secs Computing kpt #: 324 total cpu time spent up to now is 42.3 secs Computing kpt #: 325 total cpu time spent up to now is 42.4 secs Computing kpt #: 326 total cpu time spent up to now is 42.5 secs Computing kpt #: 327 total cpu time spent up to now is 42.6 secs Computing kpt #: 328 total cpu time spent up to now is 42.7 secs Computing kpt #: 329 total cpu time spent up to now is 42.8 secs Computing kpt #: 330 total cpu time spent up to now is 42.9 secs Computing kpt #: 331 total cpu time spent up to now is 43.0 secs Computing kpt #: 332 total cpu time spent up to now is 43.1 secs Computing kpt #: 333 total cpu time spent up to now is 43.3 secs Computing kpt #: 334 total cpu time spent up to now is 43.4 secs Computing kpt #: 335 total cpu time spent up to now is 43.5 secs Computing kpt #: 336 total cpu time spent up to now is 43.6 secs Computing kpt #: 337 total cpu time spent up to now is 43.7 secs Computing kpt #: 338 total cpu time spent up to now is 43.8 secs Computing kpt #: 339 total cpu time spent up to now is 43.9 secs Computing kpt #: 340 total cpu time spent up to now is 44.0 secs Computing kpt #: 341 total cpu time spent up to now is 44.1 secs Computing kpt #: 342 total cpu time spent up to now is 44.1 secs Computing kpt #: 343 total cpu time spent up to now is 44.2 secs Computing kpt #: 344 total cpu time spent up to now is 44.3 secs Computing kpt #: 345 total cpu time spent up to now is 44.4 secs Computing kpt #: 346 total cpu time spent up to now is 44.5 secs Computing kpt #: 347 total cpu time spent up to now is 44.6 secs Computing kpt #: 348 total cpu time spent up to now is 44.7 secs Computing kpt #: 349 total cpu time spent up to now is 44.8 secs Computing kpt #: 350 total cpu time spent up to now is 44.9 secs Computing kpt #: 351 total cpu time spent up to now is 45.0 secs Computing kpt #: 352 total cpu time spent up to now is 45.1 secs Computing kpt #: 353 total cpu time spent up to now is 45.2 secs ethr = 5.00E-08, avg # of iterations = 15.9 total cpu time spent up to now is 45.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8985 -13.8985 -13.8912 -13.8912 -13.8912 -13.8912 -5.9517 -5.9517 2.2019 2.2019 4.9767 4.9767 5.1336 5.1336 5.1336 5.1336 11.2015 11.2015 11.9676 11.9676 11.9676 11.9676 13.4396 13.4396 k = 0.0094-0.0054 0.0077 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8985 -13.8985 -13.8912 -13.8912 -13.8912 -13.8912 -5.9509 -5.9509 2.1976 2.1976 4.9780 4.9780 5.1324 5.1324 5.1375 5.1375 11.1950 11.1950 11.9535 11.9535 11.9645 11.9645 13.4367 13.4367 k = 0.0189-0.0109 0.0154 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9485 -5.9485 2.1848 2.1848 4.9808 4.9808 5.1287 5.1287 5.1498 5.1498 11.1750 11.1750 11.9131 11.9131 11.9557 11.9557 13.4212 13.4212 k = 0.0283-0.0163 0.0231 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9444 -5.9444 2.1638 2.1638 4.9829 4.9829 5.1225 5.1225 5.1725 5.1725 11.1399 11.1399 11.8518 11.8518 11.9417 11.9417 13.3913 13.3913 k = 0.0377-0.0218 0.0308 ( 2069 PWs) bands (ev): -14.9313 -14.9313 -14.9313 -14.9313 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9387 -5.9387 2.1354 2.1354 4.9820 4.9820 5.1139 5.1139 5.2071 5.2071 11.0870 11.0870 11.7775 11.7775 11.9234 11.9234 13.3494 13.3494 k = 0.0472-0.0272 0.0385 ( 2061 PWs) bands (ev): -14.9313 -14.9313 -14.9313 -14.9313 -13.8983 -13.8983 -13.8912 -13.8912 -13.8911 -13.8911 -5.9314 -5.9314 2.1002 2.1002 4.9771 4.9771 5.1030 5.1030 5.2536 5.2536 11.0131 11.0131 11.6995 11.6995 11.9021 11.9021 13.2976 13.2976 k = 0.0566-0.0327 0.0462 ( 2061 PWs) bands (ev): -14.9313 -14.9313 -14.9313 -14.9313 -13.8982 -13.8982 -13.8913 -13.8913 -13.8910 -13.8910 -5.9225 -5.9225 2.0593 2.0593 4.9683 4.9683 5.0897 5.0897 5.3112 5.3112 10.9158 10.9158 11.6256 11.6256 11.8788 11.8788 13.2374 13.2374 k = 0.0660-0.0381 0.0539 ( 2045 PWs) bands (ev): -14.9312 -14.9312 -14.9312 -14.9312 -13.8981 -13.8981 -13.8913 -13.8913 -13.8909 -13.8909 -5.9121 -5.9121 2.0133 2.0133 4.9558 4.9558 5.0742 5.0742 5.3782 5.3782 10.7953 10.7953 11.5610 11.5610 11.8546 11.8546 13.1705 13.1705 k = 0.0755-0.0436 0.0616 ( 2045 PWs) bands (ev): -14.9312 -14.9312 -14.9312 -14.9312 -13.8980 -13.8980 -13.8913 -13.8913 -13.8909 -13.8909 -5.9000 -5.9000 1.9634 1.9634 4.9401 4.9401 5.0565 5.0565 5.4529 5.4529 10.6545 10.6545 11.5071 11.5071 11.8303 11.8303 13.0982 13.0982 k = 0.0849-0.0490 0.0693 ( 2049 PWs) bands (ev): -14.9312 -14.9312 -14.9311 -14.9311 -13.8979 -13.8979 -13.8914 -13.8914 -13.8908 -13.8908 -5.8865 -5.8865 1.9103 1.9103 4.9217 4.9217 5.0367 5.0367 5.5337 5.5337 10.4984 10.4984 11.4630 11.4630 11.8068 11.8068 13.0216 13.0216 k = 0.0943-0.0545 0.0770 ( 2045 PWs) bands (ev): -14.9311 -14.9311 -14.9311 -14.9311 -13.8977 -13.8977 -13.8914 -13.8914 -13.8907 -13.8907 -5.8714 -5.8714 1.8548 1.8548 4.9008 4.9008 5.0149 5.0149 5.6190 5.6190 10.3320 10.3320 11.4270 11.4270 11.7846 11.7846 12.9419 12.9419 k = 0.1038-0.0599 0.0847 ( 2045 PWs) bands (ev): -14.9310 -14.9310 -14.9310 -14.9310 -13.8976 -13.8976 -13.8915 -13.8915 -13.8905 -13.8905 -5.8548 -5.8548 1.7976 1.7976 4.8776 4.8776 4.9913 4.9913 5.7070 5.7070 10.1600 10.1600 11.3977 11.3977 11.7643 11.7643 12.8599 12.8599 k = 0.1132-0.0654 0.0924 ( 2029 PWs) bands (ev): -14.9310 -14.9310 -14.9309 -14.9309 -13.8974 -13.8974 -13.8916 -13.8916 -13.8904 -13.8904 -5.8368 -5.8368 1.7394 1.7394 4.8525 4.8525 4.9659 4.9659 5.7960 5.7960 9.9862 9.9862 11.3739 11.3739 11.7462 11.7462 12.7763 12.7763 k = 0.1226-0.0708 0.1001 ( 2029 PWs) bands (ev): -14.9309 -14.9309 -14.9309 -14.9309 -13.8973 -13.8973 -13.8917 -13.8917 -13.8903 -13.8903 -5.8173 -5.8173 1.6808 1.6808 4.8254 4.8254 4.9388 4.9388 5.8839 5.8839 9.8143 9.8143 11.3547 11.3547 11.7307 11.7307 12.6919 12.6919 k = 0.1321-0.0763 0.1078 ( 2029 PWs) bands (ev): -14.9308 -14.9308 -14.9308 -14.9308 -13.8971 -13.8971 -13.8918 -13.8918 -13.8901 -13.8901 -5.7965 -5.7965 1.6223 1.6223 4.7968 4.7968 4.9103 4.9103 5.9684 5.9684 9.6478 9.6478 11.3398 11.3398 11.7178 11.7178 12.6071 12.6071 k = 0.1415-0.0817 0.1155 ( 2029 PWs) bands (ev): -14.9308 -14.9308 -14.9307 -14.9307 -13.8970 -13.8970 -13.8919 -13.8919 -13.8899 -13.8899 -5.7743 -5.7743 1.5644 1.5644 4.7666 4.7666 4.8804 4.8804 6.0470 6.0470 9.4899 9.4899 11.3287 11.3287 11.7079 11.7079 12.5223 12.5223 k = 0.1509-0.0871 0.1232 ( 2029 PWs) bands (ev): -14.9307 -14.9307 -14.9307 -14.9307 -13.8968 -13.8968 -13.8920 -13.8920 -13.8897 -13.8897 -5.7509 -5.7509 1.5073 1.5073 4.7351 4.7351 4.8492 4.8492 6.1165 6.1165 9.3443 9.3443 11.3212 11.3212 11.7010 11.7010 12.4380 12.4380 k = 0.1604-0.0926 0.1309 ( 2029 PWs) bands (ev): -14.9306 -14.9306 -14.9306 -14.9306 -13.8967 -13.8967 -13.8921 -13.8921 -13.8895 -13.8895 -5.7261 -5.7261 1.4515 1.4515 4.7024 4.7024 4.8170 4.8170 6.1734 6.1734 9.2148 9.2148 11.3172 11.3172 11.6971 11.6971 12.3545 12.3545 k = 0.1698-0.0980 0.1387 ( 2037 PWs) bands (ev): -14.9305 -14.9305 -14.9305 -14.9305 -13.8965 -13.8965 -13.8922 -13.8922 -13.8893 -13.8893 -5.7002 -5.7002 1.3973 1.3973 4.6687 4.6687 4.7838 4.7838 6.2139 6.2139 9.1056 9.1056 11.3164 11.3164 11.6962 11.6962 12.2720 12.2720 k = 0.1792-0.1035 0.1464 ( 2025 PWs) bands (ev): -14.9304 -14.9304 -14.9304 -14.9304 -13.8964 -13.8964 -13.8924 -13.8924 -13.8890 -13.8890 -5.6732 -5.6732 1.3450 1.3450 4.6341 4.6341 4.7498 4.7498 6.2344 6.2344 9.0206 9.0206 11.3188 11.3188 11.6983 11.6983 12.1907 12.1907 k = 0.1887-0.1089 0.1541 ( 2025 PWs) bands (ev): -14.9304 -14.9304 -14.9303 -14.9303 -13.8962 -13.8962 -13.8925 -13.8925 -13.8887 -13.8887 -5.6451 -5.6451 1.2948 1.2948 4.5988 4.5988 4.7151 4.7151 6.2315 6.2315 8.9631 8.9631 11.3241 11.3241 11.7034 11.7034 12.1109 12.1109 k = 0.1981-0.1144 0.1618 ( 2037 PWs) bands (ev): -14.9303 -14.9303 -14.9302 -14.9302 -13.8961 -13.8961 -13.8927 -13.8927 -13.8884 -13.8884 -5.6161 -5.6161 1.2470 1.2470 4.5630 4.5630 4.6798 4.6798 6.2034 6.2034 8.9349 8.9349 11.3324 11.3324 11.7115 11.7115 12.0326 12.0326 k = 0.2075-0.1198 0.1695 ( 2037 PWs) bands (ev): -14.9302 -14.9302 -14.9302 -14.9302 -13.8960 -13.8960 -13.8929 -13.8929 -13.8881 -13.8881 -5.5861 -5.5861 1.2016 1.2016 4.5267 4.5267 4.6442 4.6442 6.1497 6.1497 8.9365 8.9365 11.3435 11.3435 11.7223 11.7223 11.9561 11.9561 k = 0.2170-0.1253 0.1772 ( 2029 PWs) bands (ev): -14.9302 -14.9302 -14.9301 -14.9301 -13.8959 -13.8959 -13.8931 -13.8931 -13.8878 -13.8878 -5.5553 -5.5553 1.1590 1.1590 4.4902 4.4902 4.6083 4.6083 6.0721 6.0721 8.9662 8.9662 11.3573 11.3573 11.7358 11.7358 11.8814 11.8814 k = 0.2264-0.1307 0.1849 ( 2029 PWs) bands (ev): -14.9301 -14.9301 -14.9300 -14.9300 -13.8958 -13.8958 -13.8933 -13.8933 -13.8875 -13.8875 -5.5237 -5.5237 1.1194 1.1194 4.4535 4.4535 4.5723 4.5723 5.9733 5.9733 9.0212 9.0212 11.3735 11.3735 11.7519 11.7519 11.8087 11.8087 k = 0.2358-0.1362 0.1926 ( 2029 PWs) bands (ev): -14.9301 -14.9301 -14.9299 -14.9299 -13.8957 -13.8957 -13.8935 -13.8935 -13.8871 -13.8871 -5.4915 -5.4915 1.0827 1.0827 4.4169 4.4169 4.5363 4.5363 5.8567 5.8567 9.0981 9.0981 11.3922 11.3922 11.7378 11.7378 11.7706 11.7706 k = 0.2453-0.1416 0.2003 ( 2029 PWs) bands (ev): -14.9300 -14.9300 -14.9298 -14.9298 -13.8956 -13.8956 -13.8937 -13.8937 -13.8867 -13.8867 -5.4587 -5.4587 1.0493 1.0493 4.3803 4.3803 4.5005 4.5005 5.7259 5.7259 9.1931 9.1931 11.4130 11.4130 11.6693 11.6693 11.7914 11.7914 k = 0.2547-0.1471 0.2080 ( 2036 PWs) bands (ev): -14.9300 -14.9300 -14.9297 -14.9297 -13.8955 -13.8955 -13.8939 -13.8939 -13.8864 -13.8864 -5.4255 -5.4255 1.0192 1.0192 4.3440 4.3440 4.4649 4.4649 5.5841 5.5841 9.3028 9.3028 11.4360 11.4360 11.6029 11.6029 11.8144 11.8144 k = 0.2642-0.1525 0.2157 ( 2036 PWs) bands (ev): -14.9299 -14.9299 -14.9296 -14.9296 -13.8954 -13.8954 -13.8942 -13.8942 -13.8860 -13.8860 -5.3920 -5.3920 0.9927 0.9927 4.3081 4.3081 4.4296 4.4296 5.4342 5.4342 9.4245 9.4245 11.4609 11.4609 11.5387 11.5387 11.8393 11.8393 k = 0.2736-0.1580 0.2234 ( 2036 PWs) bands (ev): -14.9299 -14.9299 -14.9294 -14.9294 -13.8953 -13.8953 -13.8944 -13.8944 -13.8856 -13.8856 -5.3582 -5.3582 0.9697 0.9697 4.2726 4.2726 4.3949 4.3949 5.2784 5.2784 9.5554 9.5554 11.4767 11.4767 11.4876 11.4876 11.8661 11.8661 k = 0.2830-0.1634 0.2311 ( 2036 PWs) bands (ev): -14.9299 -14.9299 -14.9294 -14.9294 -13.8953 -13.8953 -13.8946 -13.8946 -13.8852 -13.8852 -5.3243 -5.3243 0.9504 0.9504 4.2377 4.2377 4.3608 4.3608 5.1187 5.1187 9.6937 9.6937 11.4171 11.4171 11.5159 11.5159 11.8945 11.8945 k = 0.2925-0.1688 0.2388 ( 2040 PWs) bands (ev): -14.9298 -14.9298 -14.9293 -14.9293 -13.8952 -13.8952 -13.8949 -13.8949 -13.8848 -13.8848 -5.2905 -5.2905 0.9350 0.9350 4.2034 4.2034 4.3274 4.3274 4.9565 4.9565 9.8375 9.8375 11.3598 11.3598 11.5456 11.5456 11.9242 11.9242 k = 0.3019-0.1743 0.2465 ( 2048 PWs) bands (ev): -14.9298 -14.9298 -14.9292 -14.9292 -13.8952 -13.8952 -13.8951 -13.8951 -13.8845 -13.8845 -5.2567 -5.2567 0.9236 0.9236 4.1698 4.1698 4.2948 4.2948 4.7931 4.7931 9.9853 9.9853 11.3049 11.3049 11.5767 11.5767 11.9552 11.9552 k = 0.3113-0.1797 0.2542 ( 2048 PWs) bands (ev): -14.9298 -14.9298 -14.9291 -14.9291 -13.8954 -13.8954 -13.8951 -13.8951 -13.8841 -13.8841 -5.2233 -5.2233 0.9162 0.9162 4.1368 4.1368 4.2631 4.2631 4.6298 4.6298 10.1358 10.1358 11.2524 11.2524 11.6088 11.6088 11.9871 11.9871 k = 0.3208-0.1852 0.2619 ( 2044 PWs) bands (ev): -14.9298 -14.9298 -14.9290 -14.9290 -13.8957 -13.8957 -13.8951 -13.8951 -13.8837 -13.8837 -5.1903 -5.1903 0.9129 0.9129 4.1043 4.1043 4.2324 4.2324 4.4675 4.4675 10.2878 10.2878 11.2024 11.2024 11.6420 11.6420 12.0198 12.0198 k = 0.3302-0.1906 0.2696 ( 2044 PWs) bands (ev): -14.9298 -14.9298 -14.9289 -14.9289 -13.8959 -13.8959 -13.8950 -13.8950 -13.8833 -13.8833 -5.1579 -5.1579 0.9138 0.9138 4.0713 4.0713 4.2028 4.2028 4.3079 4.3079 10.4403 10.4403 11.1548 11.1548 11.6760 11.6760 12.0529 12.0529 k = 0.3396-0.1961 0.2773 ( 2044 PWs) bands (ev): -14.9298 -14.9298 -14.9288 -14.9288 -13.8962 -13.8962 -13.8950 -13.8950 -13.8830 -13.8830 -5.1261 -5.1261 0.9191 0.9191 4.0329 4.0329 4.1565 4.1565 4.1744 4.1744 10.5922 10.5922 11.1097 11.1097 11.7107 11.7107 12.0864 12.0864 k = 0.3491-0.2015 0.2850 ( 2060 PWs) bands (ev): -14.9298 -14.9298 -14.9287 -14.9287 -13.8964 -13.8964 -13.8949 -13.8949 -13.8826 -13.8826 -5.0953 -5.0953 0.9287 0.9287 3.9533 3.9533 4.0499 4.0499 4.1471 4.1471 10.7424 10.7424 11.0671 11.0671 11.7462 11.7462 12.1199 12.1199 k = 0.3585-0.2070 0.2927 ( 2060 PWs) bands (ev): -14.9298 -14.9298 -14.9286 -14.9286 -13.8967 -13.8967 -13.8949 -13.8949 -13.8823 -13.8823 -5.0654 -5.0654 0.9427 0.9427 3.8139 3.8139 4.0070 4.0070 4.1212 4.1212 10.8898 10.8898 11.0271 11.0271 11.7823 11.7823 12.1532 12.1532 k = 0.3679-0.2124 0.3004 ( 2052 PWs) bands (ev): -14.9298 -14.9298 -14.9285 -14.9285 -13.8969 -13.8969 -13.8949 -13.8949 -13.8820 -13.8820 -5.0366 -5.0366 0.9612 0.9612 3.6650 3.6650 3.9780 3.9780 4.0967 4.0967 10.9895 10.9895 11.0331 11.0331 11.8193 11.8193 12.1859 12.1859 k = 0.3774-0.2179 0.3081 ( 2052 PWs) bands (ev): -14.9298 -14.9298 -14.9285 -14.9285 -13.8972 -13.8972 -13.8949 -13.8949 -13.8816 -13.8816 -5.0091 -5.0091 0.9841 0.9841 3.5172 3.5172 3.9529 3.9529 4.0736 4.0736 10.9545 10.9545 11.1709 11.1709 11.8573 11.8573 12.2180 12.2180 k = 0.3868-0.2233 0.3158 ( 2056 PWs) bands (ev): -14.9298 -14.9298 -14.9284 -14.9284 -13.8974 -13.8974 -13.8948 -13.8948 -13.8814 -13.8814 -4.9830 -4.9830 1.0114 1.0114 3.3723 3.3723 3.9300 3.9300 4.0520 4.0520 10.9221 10.9221 11.3015 11.3015 11.8969 11.8969 12.2490 12.2490 k = 0.3962-0.2288 0.3235 ( 2048 PWs) bands (ev): -14.9298 -14.9298 -14.9283 -14.9283 -13.8976 -13.8976 -13.8948 -13.8948 -13.8811 -13.8811 -4.9584 -4.9584 1.0430 1.0430 3.2312 3.2312 3.9091 3.9091 4.0319 4.0319 10.8922 10.8922 11.4230 11.4230 11.9388 11.9388 12.2788 12.2788 k = 0.4057-0.2342 0.3312 ( 2048 PWs) bands (ev): -14.9298 -14.9298 -14.9283 -14.9283 -13.8978 -13.8978 -13.8948 -13.8948 -13.8808 -13.8808 -4.9355 -4.9355 1.0789 1.0789 3.0943 3.0943 3.8900 3.8900 4.0135 4.0135 10.8649 10.8649 11.5331 11.5331 11.9841 11.9841 12.3070 12.3070 k = 0.4151-0.2397 0.3389 ( 2052 PWs) bands (ev): -14.9298 -14.9298 -14.9282 -14.9282 -13.8980 -13.8980 -13.8948 -13.8948 -13.8806 -13.8806 -4.9144 -4.9144 1.1189 1.1189 2.9623 2.9623 3.8726 3.8726 3.9966 3.9966 10.8402 10.8402 11.6292 11.6292 12.0341 12.0341 12.3334 12.3334 k = 0.4245-0.2451 0.3466 ( 2052 PWs) bands (ev): -14.9298 -14.9298 -14.9282 -14.9282 -13.8981 -13.8981 -13.8948 -13.8948 -13.8804 -13.8804 -4.8952 -4.8952 1.1625 1.1625 2.8356 2.8356 3.8570 3.8570 3.9814 3.9814 10.8181 10.8181 11.7096 11.7096 12.0891 12.0891 12.3579 12.3579 k = 0.4340-0.2505 0.3543 ( 2056 PWs) bands (ev): -14.9298 -14.9298 -14.9281 -14.9281 -13.8983 -13.8983 -13.8947 -13.8947 -13.8802 -13.8802 -4.8780 -4.8780 1.2095 1.2095 2.7150 2.7150 3.8432 3.8432 3.9680 3.9680 10.7985 10.7985 11.7740 11.7740 12.1483 12.1483 12.3801 12.3801 k = 0.4434-0.2560 0.3620 ( 2048 PWs) bands (ev): -14.9298 -14.9298 -14.9281 -14.9281 -13.8984 -13.8984 -13.8947 -13.8947 -13.8800 -13.8800 -4.8629 -4.8629 1.2589 1.2589 2.6013 2.6013 3.8313 3.8313 3.9562 3.9562 10.7816 10.7816 11.8238 11.8238 12.2087 12.2087 12.3998 12.3998 k = 0.4528-0.2614 0.3697 ( 2056 PWs) bands (ev): -14.9299 -14.9299 -14.9281 -14.9281 -13.8985 -13.8985 -13.8947 -13.8947 -13.8799 -13.8799 -4.8499 -4.8499 1.3098 1.3098 2.4958 2.4958 3.8211 3.8211 3.9463 3.9463 10.7672 10.7672 11.8617 11.8617 12.2668 12.2668 12.4168 12.4168 k = 0.4623-0.2669 0.3774 ( 2048 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8986 -13.8986 -13.8947 -13.8947 -13.8798 -13.8798 -4.8392 -4.8392 1.3604 1.3604 2.4004 2.4004 3.8127 3.8127 3.9381 3.9381 10.7555 10.7555 11.8899 11.8899 12.3188 12.3188 12.4310 12.4310 k = 0.4717-0.2723 0.3851 ( 2048 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8987 -13.8987 -13.8947 -13.8947 -13.8797 -13.8797 -4.8309 -4.8309 1.4080 1.4080 2.3179 2.3179 3.8062 3.8062 3.9317 3.9317 10.7463 10.7463 11.9104 11.9104 12.3619 12.3619 12.4422 12.4422 k = 0.4811-0.2778 0.3928 ( 2048 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8249 -4.8249 1.4485 1.4485 2.2524 2.2524 3.8015 3.8015 3.9271 3.9271 10.7398 10.7398 11.9243 11.9243 12.3940 12.3940 12.4502 12.4502 k = 0.4906-0.2832 0.4005 ( 2044 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8212 -4.8212 1.4766 1.4766 2.2093 2.2093 3.7987 3.7987 3.9244 3.9244 10.7359 10.7359 11.9324 11.9324 12.4139 12.4139 12.4551 12.4551 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8200 -4.8200 1.4867 1.4867 2.1941 2.1941 3.7978 3.7978 3.9235 3.9235 10.7346 10.7346 11.9351 11.9351 12.4206 12.4206 12.4568 12.4568 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8200 -4.8200 1.4867 1.4867 2.1941 2.1941 3.7978 3.7978 3.9235 3.9235 10.7346 10.7346 11.9351 11.9351 12.4206 12.4206 12.4568 12.4568 k = 0.5000-0.2780 0.4158 ( 2044 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8199 -4.8199 1.4824 1.4824 2.1952 2.1952 3.8005 3.8005 3.9265 3.9265 10.7365 10.7365 11.9318 11.9318 12.4184 12.4184 12.4526 12.4526 k = 0.5000-0.2673 0.4234 ( 2048 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8196 -4.8196 1.4696 1.4696 2.1984 2.1984 3.8064 3.8064 3.9375 3.9375 10.7422 10.7422 11.9209 11.9209 12.4081 12.4081 12.4452 12.4452 k = 0.5000-0.2566 0.4309 ( 2048 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8987 -13.8987 -13.8946 -13.8946 -13.8797 -13.8797 -4.8191 -4.8191 1.4488 1.4488 2.2038 2.2038 3.8101 3.8101 3.9614 3.9614 10.7516 10.7516 11.8995 11.8995 12.3848 12.3848 12.4433 12.4433 k = 0.5000-0.2459 0.4385 ( 2050 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8987 -13.8987 -13.8946 -13.8946 -13.8798 -13.8798 -4.8184 -4.8184 1.4209 1.4209 2.2113 2.2113 3.8071 3.8071 4.0019 4.0019 10.7646 10.7646 11.8634 11.8634 12.3536 12.3536 12.4479 12.4479 k = 0.5000-0.2352 0.4460 ( 2054 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8986 -13.8986 -13.8945 -13.8945 -13.8799 -13.8799 -4.8175 -4.8175 1.3871 1.3871 2.2209 2.2209 3.7968 3.7968 4.0587 4.0587 10.7808 10.7808 11.8080 11.8080 12.3216 12.3216 12.4584 12.4584 k = 0.5000-0.2245 0.4536 ( 2054 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8985 -13.8985 -13.8944 -13.8944 -13.8800 -13.8800 -4.8165 -4.8165 1.3483 1.3483 2.2326 2.2326 3.7804 3.7804 4.1295 4.1295 10.8000 10.8000 11.7308 11.7308 12.2926 12.2926 12.4760 12.4760 k = 0.5000-0.2138 0.4612 ( 2054 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8984 -13.8984 -13.8943 -13.8943 -13.8802 -13.8802 -4.8153 -4.8153 1.3057 1.3057 2.2465 2.2465 3.7591 3.7591 4.2120 4.2120 10.8219 10.8219 11.6324 11.6324 12.2672 12.2672 12.5020 12.5020 k = 0.5000-0.2031 0.4687 ( 2052 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8983 -13.8983 -13.8942 -13.8942 -13.8804 -13.8804 -4.8139 -4.8139 1.2604 1.2604 2.2623 2.2623 3.7336 3.7336 4.3044 4.3044 10.8457 10.8457 11.5158 11.5158 12.2439 12.2439 12.5374 12.5374 k = 0.5000-0.1925 0.4763 ( 2048 PWs) bands (ev): -14.9297 -14.9297 -14.9280 -14.9280 -13.8982 -13.8982 -13.8941 -13.8941 -13.8806 -13.8806 -4.8125 -4.8125 1.2133 1.2133 2.2803 2.2803 3.7046 3.7046 4.4054 4.4054 10.8705 10.8705 11.3854 11.3854 12.2212 12.2212 12.5825 12.5825 k = 0.5000-0.1818 0.4838 ( 2052 PWs) bands (ev): -14.9297 -14.9297 -14.9279 -14.9279 -13.8981 -13.8981 -13.8939 -13.8939 -13.8808 -13.8808 -4.8109 -4.8109 1.1654 1.1654 2.3002 2.3002 3.6725 3.6725 4.5135 4.5135 10.8937 10.8937 11.2467 11.2467 12.1977 12.1977 12.6373 12.6373 k = 0.5000-0.1711 0.4914 ( 2056 PWs) bands (ev): -14.9297 -14.9297 -14.9279 -14.9279 -13.8980 -13.8980 -13.8937 -13.8937 -13.8810 -13.8810 -4.8092 -4.8092 1.1173 1.1173 2.3221 2.3221 3.6376 3.6376 4.6279 4.6279 10.9047 10.9047 11.1130 11.1130 12.1728 12.1728 12.7015 12.7015 k = 0.5000-0.1604 0.4990 ( 2052 PWs) bands (ev): -14.9296 -14.9296 -14.9279 -14.9279 -13.8979 -13.8979 -13.8935 -13.8935 -13.8813 -13.8813 -4.8075 -4.8075 1.0698 1.0698 2.3460 2.3460 3.6002 3.6002 4.7474 4.7474 10.8535 10.8535 11.0365 11.0365 12.1463 12.1463 12.7746 12.7746 k = 0.5000-0.1497 0.5065 ( 2056 PWs) bands (ev): -14.9296 -14.9296 -14.9279 -14.9279 -13.8978 -13.8978 -13.8932 -13.8932 -13.8816 -13.8816 -4.8057 -4.8057 1.0234 1.0234 2.3717 2.3717 3.5606 3.5606 4.8711 4.8711 10.7188 10.7188 11.0402 11.0402 12.1180 12.1180 12.8561 12.8561 k = 0.5000-0.1390 0.5141 ( 2056 PWs) bands (ev): -14.9296 -14.9296 -14.9279 -14.9279 -13.8978 -13.8978 -13.8929 -13.8929 -13.8819 -13.8819 -4.8039 -4.8039 0.9786 0.9786 2.3994 2.3994 3.5191 3.5191 4.9981 4.9981 10.5590 10.5590 11.0672 11.0672 12.0879 12.0879 12.9459 12.9459 k = 0.5000-0.1283 0.5217 ( 2056 PWs) bands (ev): -14.9296 -14.9296 -14.9279 -14.9279 -13.8977 -13.8977 -13.8926 -13.8926 -13.8823 -13.8823 -4.8021 -4.8021 0.9358 0.9358 2.4289 2.4289 3.4759 3.4759 5.1275 5.1275 10.3929 10.3929 11.1006 11.1006 12.0563 12.0563 13.0433 13.0433 k = 0.5000-0.1176 0.5292 ( 2052 PWs) bands (ev): -14.9295 -14.9295 -14.9279 -14.9279 -13.8976 -13.8976 -13.8923 -13.8923 -13.8826 -13.8826 -4.8004 -4.8004 0.8953 0.8953 2.4601 2.4601 3.4313 3.4313 5.2583 5.2583 10.2252 10.2252 11.1366 11.1366 12.0231 12.0231 13.1482 13.1482 k = 0.5000-0.1069 0.5368 ( 2056 PWs) bands (ev): -14.9295 -14.9295 -14.9279 -14.9279 -13.8976 -13.8976 -13.8919 -13.8919 -13.8830 -13.8830 -4.7987 -4.7987 0.8576 0.8576 2.4930 2.4930 3.3855 3.3855 5.3894 5.3894 10.0586 10.0586 11.1741 11.1741 11.9886 11.9886 13.2602 13.2602 k = 0.5000-0.0962 0.5443 ( 2058 PWs) bands (ev): -14.9295 -14.9295 -14.9278 -14.9278 -13.8975 -13.8975 -13.8915 -13.8915 -13.8834 -13.8834 -4.7971 -4.7971 0.8227 0.8227 2.5276 2.5276 3.3388 3.3388 5.5196 5.5196 9.8951 9.8951 11.2127 11.2127 11.9530 11.9530 13.3790 13.3790 k = 0.5000-0.0855 0.5519 ( 2058 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8975 -13.8975 -13.8911 -13.8911 -13.8838 -13.8838 -4.7956 -4.7956 0.7910 0.7910 2.5638 2.5638 3.2914 3.2914 5.6472 5.6472 9.7367 9.7367 11.2519 11.2519 11.9163 11.9163 13.5043 13.5043 k = 0.5000-0.0748 0.5595 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8907 -13.8907 -13.8842 -13.8842 -4.7942 -4.7942 0.7626 0.7626 2.6014 2.6014 3.2435 3.2435 5.7707 5.7707 9.5855 9.5855 11.2917 11.2917 11.8788 11.8788 13.6357 13.6357 k = 0.5000-0.0642 0.5670 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8902 -13.8902 -13.8846 -13.8846 -4.7929 -4.7929 0.7378 0.7378 2.6404 2.6404 3.1953 3.1953 5.8877 5.8877 9.4440 9.4440 11.3317 11.3317 11.8406 11.8406 13.7730 13.7730 k = 0.5000-0.0535 0.5746 ( 2052 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8898 -13.8898 -13.8850 -13.8850 -4.7918 -4.7918 0.7165 0.7165 2.6807 2.6807 3.1471 3.1471 5.9958 5.9958 9.3150 9.3150 11.3717 11.3717 11.8020 11.8020 13.9157 13.9157 k = 0.5000-0.0428 0.5821 ( 2056 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8893 -13.8893 -13.8855 -13.8855 -4.7909 -4.7909 0.6990 0.6990 2.7221 2.7221 3.0991 3.0991 6.0917 6.0917 9.2016 9.2016 11.4115 11.4115 11.7634 11.7634 14.0635 14.0635 k = 0.5000-0.0321 0.5897 ( 2044 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8889 -13.8889 -13.8859 -13.8859 -4.7902 -4.7902 0.6853 0.6853 2.7642 2.7642 3.0518 3.0518 6.1720 6.1720 9.1077 9.1077 11.4504 11.4504 11.7254 11.7254 14.2155 14.2155 k = 0.5000-0.0214 0.5973 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8885 -13.8885 -13.8863 -13.8863 -4.7896 -4.7896 0.6754 0.6754 2.8064 2.8064 3.0058 3.0058 6.2330 6.2330 9.0370 9.0370 11.4871 11.4871 11.6892 11.6892 14.3703 14.3703 k = 0.5000-0.0107 0.6048 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8881 -13.8881 -13.8867 -13.8867 -4.7893 -4.7893 0.6695 0.6695 2.8463 2.8463 2.9636 2.9636 6.2712 6.2712 8.9928 8.9928 11.5178 11.5178 11.6589 11.6589 14.5220 14.5220 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -14.9293 -14.9293 -14.9278 -14.9278 -13.8974 -13.8974 -13.8879 -13.8879 -13.8869 -13.8869 -4.7892 -4.7892 0.6675 0.6675 2.8689 2.8689 2.9402 2.9402 6.2842 6.2842 8.9778 8.9778 11.5316 11.5316 11.6452 11.6452 14.6187 14.6187 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -14.9293 -14.9293 -14.9278 -14.9278 -13.8974 -13.8974 -13.8879 -13.8879 -13.8869 -13.8869 -4.7892 -4.7892 0.6675 0.6675 2.8689 2.8689 2.9402 2.9402 6.2842 6.2842 8.9778 8.9778 11.5316 11.5316 11.6452 11.6452 14.6187 14.6187 k = 0.4934 0.0114 0.6124 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8880 -13.8880 -13.8868 -13.8868 -4.7895 -4.7895 0.6668 0.6668 2.8571 2.8571 2.9565 2.9565 6.2775 6.2775 8.9846 8.9846 11.5227 11.5227 11.6519 11.6519 14.5610 14.5610 k = 0.4868 0.0228 0.6124 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8882 -13.8882 -13.8866 -13.8866 -4.7903 -4.7903 0.6647 0.6647 2.8329 2.8329 2.9941 2.9941 6.2574 6.2574 9.0049 9.0049 11.4994 11.4994 11.6687 11.6687 14.4552 14.4552 k = 0.4803 0.0342 0.6124 ( 2045 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8885 -13.8885 -13.8863 -13.8863 -4.7916 -4.7916 0.6613 0.6613 2.8063 2.8063 3.0427 3.0427 6.2240 6.2240 9.0385 9.0385 11.4676 11.4676 11.6902 11.6902 14.3395 14.3395 k = 0.4737 0.0456 0.6124 ( 2049 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8888 -13.8888 -13.8860 -13.8860 -4.7933 -4.7933 0.6569 0.6569 2.7799 2.7799 3.0995 3.0995 6.1780 6.1780 9.0847 9.0847 11.4310 11.4310 11.7132 11.7132 14.2206 14.2206 k = 0.4671 0.0570 0.6124 ( 2055 PWs) bands (ev): -14.9294 -14.9294 -14.9277 -14.9277 -13.8973 -13.8973 -13.8891 -13.8891 -13.8857 -13.8857 -4.7952 -4.7952 0.6515 0.6515 2.7546 2.7546 3.1632 3.1632 6.1205 6.1205 9.1423 9.1423 11.3912 11.3912 11.7363 11.7363 14.1002 14.1002 k = 0.4605 0.0684 0.6124 ( 2058 PWs) bands (ev): -14.9294 -14.9294 -14.9277 -14.9277 -13.8973 -13.8973 -13.8895 -13.8895 -13.8855 -13.8855 -4.7974 -4.7974 0.6454 0.6454 2.7305 2.7305 3.2332 3.2332 6.0525 6.0525 9.2100 9.2100 11.3494 11.3494 11.7588 11.7588 13.9795 13.9795 k = 0.4539 0.0798 0.6124 ( 2057 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8972 -13.8972 -13.8898 -13.8898 -13.8852 -13.8852 -4.7997 -4.7997 0.6387 0.6387 2.7080 2.7080 3.3089 3.3089 5.9754 5.9754 9.2865 9.2865 11.3059 11.3059 11.7803 11.7803 13.8593 13.8593 k = 0.4474 0.0912 0.6124 ( 2055 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8972 -13.8972 -13.8901 -13.8901 -13.8849 -13.8849 -4.8020 -4.8020 0.6318 0.6318 2.6871 2.6871 3.3897 3.3897 5.8905 5.8905 9.3702 9.3702 11.2613 11.2613 11.8005 11.8005 13.7407 13.7407 k = 0.4408 0.1026 0.6124 ( 2059 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8971 -13.8971 -13.8904 -13.8904 -13.8847 -13.8847 -4.8044 -4.8044 0.6247 0.6247 2.6678 2.6678 3.4750 3.4750 5.7992 5.7992 9.4595 9.4595 11.2158 11.2158 11.8195 11.8195 13.6247 13.6247 k = 0.4342 0.1140 0.6124 ( 2059 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8971 -13.8971 -13.8906 -13.8906 -13.8845 -13.8845 -4.8068 -4.8068 0.6177 0.6177 2.6503 2.6503 3.5643 3.5643 5.7028 5.7028 9.5531 9.5531 11.1693 11.1693 11.8369 11.8369 13.5125 13.5125 k = 0.4276 0.1253 0.6124 ( 2061 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8970 -13.8970 -13.8909 -13.8909 -13.8843 -13.8843 -4.8090 -4.8090 0.6110 0.6110 2.6345 2.6345 3.6567 3.6567 5.6025 5.6025 9.6493 9.6493 11.1221 11.1221 11.8527 11.8527 13.4055 13.4055 k = 0.4211 0.1367 0.6124 ( 2063 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8970 -13.8970 -13.8911 -13.8911 -13.8841 -13.8841 -4.8111 -4.8111 0.6047 0.6047 2.6205 2.6205 3.7516 3.7516 5.4997 5.4997 9.7464 9.7464 11.0740 11.0740 11.8669 11.8669 13.3051 13.3051 k = 0.4145 0.1481 0.6124 ( 2059 PWs) bands (ev): -14.9297 -14.9297 -14.9276 -14.9276 -13.8969 -13.8969 -13.8913 -13.8913 -13.8840 -13.8840 -4.8131 -4.8131 0.5990 0.5990 2.6084 2.6084 3.8478 3.8478 5.3959 5.3959 9.8427 9.8427 11.0252 11.0252 11.8793 11.8793 13.2132 13.2132 k = 0.4079 0.1595 0.6124 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9276 -14.9276 -13.8969 -13.8969 -13.8915 -13.8915 -13.8838 -13.8838 -4.8147 -4.8147 0.5939 0.5939 2.5980 2.5980 3.9438 3.9438 5.2929 5.2929 9.9362 9.9362 10.9760 10.9760 11.8900 11.8900 13.1313 13.1313 k = 0.4013 0.1709 0.6124 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8968 -13.8968 -13.8917 -13.8917 -13.8837 -13.8837 -4.8162 -4.8162 0.5896 0.5896 2.5896 2.5896 4.0375 4.0375 5.1931 5.1931 10.0241 10.0241 10.9273 10.9273 11.8989 11.8989 13.0612 13.0612 k = 0.3947 0.1823 0.6124 ( 2067 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8968 -13.8968 -13.8918 -13.8918 -13.8836 -13.8836 -4.8173 -4.8173 0.5862 0.5862 2.5830 2.5830 4.1254 4.1254 5.1002 5.1002 10.1029 10.1029 10.8809 10.8809 11.9058 11.9058 13.0045 13.0045 k = 0.3882 0.1937 0.6124 ( 2063 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8968 -13.8968 -13.8919 -13.8919 -13.8836 -13.8836 -4.8181 -4.8181 0.5837 0.5837 2.5782 2.5782 4.2014 4.2014 5.0206 5.0206 10.1677 10.1677 10.8406 10.8406 11.9109 11.9109 12.9629 12.9629 k = 0.3816 0.2051 0.6124 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8186 -4.8186 0.5822 0.5822 2.5754 2.5754 4.2557 4.2557 4.9641 4.9641 10.2116 10.2116 10.8119 10.8119 11.9139 11.9139 12.9373 12.9373 k = 0.3750 0.2165 0.6124 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8188 -4.8188 0.5817 0.5817 2.5745 2.5745 4.2759 4.2759 4.9432 4.9432 10.2273 10.2273 10.8012 10.8012 11.9149 11.9149 12.9287 12.9287 k = 0.3750 0.2165 0.6124 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8188 -4.8188 0.5817 0.5817 2.5745 2.5745 4.2759 4.2759 4.9432 4.9432 10.2273 10.2273 10.8012 10.8012 11.9149 11.9149 12.9287 12.9287 k = 0.3683 0.2126 0.6014 ( 2057 PWs) bands (ev): -14.9298 -14.9298 -14.9275 -14.9275 -13.8966 -13.8966 -13.8917 -13.8917 -13.8839 -13.8839 -4.8228 -4.8228 0.5268 0.5268 2.6149 2.6149 4.3196 4.3196 5.0294 5.0294 10.1293 10.1293 10.6947 10.6947 11.8749 11.8749 13.0734 13.0734 k = 0.3616 0.2088 0.5905 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9274 -14.9274 -13.8965 -13.8965 -13.8914 -13.8914 -13.8843 -13.8843 -4.8277 -4.8277 0.4747 0.4747 2.6571 2.6571 4.3648 4.3648 5.1168 5.1168 10.0285 10.0285 10.5883 10.5883 11.8341 11.8341 13.2276 13.2276 k = 0.3549 0.2049 0.5796 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9274 -14.9274 -13.8964 -13.8964 -13.8911 -13.8911 -13.8846 -13.8846 -4.8338 -4.8338 0.4257 0.4257 2.7011 2.7011 4.4115 4.4115 5.2054 5.2054 9.9254 9.9254 10.4827 10.4827 11.7926 11.7926 13.3906 13.3906 k = 0.3482 0.2010 0.5686 ( 2055 PWs) bands (ev): -14.9299 -14.9299 -14.9273 -14.9273 -13.8962 -13.8962 -13.8908 -13.8908 -13.8850 -13.8850 -4.8410 -4.8410 0.3801 0.3801 2.7468 2.7468 4.4595 4.4595 5.2951 5.2951 9.8207 9.8207 10.3783 10.3783 11.7507 11.7507 13.5617 13.5617 k = 0.3415 0.1972 0.5577 ( 2059 PWs) bands (ev): -14.9299 -14.9299 -14.9272 -14.9272 -13.8961 -13.8961 -13.8905 -13.8905 -13.8854 -13.8854 -4.8495 -4.8495 0.3381 0.3381 2.7942 2.7942 4.5086 4.5086 5.3857 5.3857 9.7150 9.7150 10.2756 10.2756 11.7086 11.7086 13.7402 13.7402 k = 0.3348 0.1933 0.5468 ( 2063 PWs) bands (ev): -14.9299 -14.9299 -14.9272 -14.9272 -13.8960 -13.8960 -13.8902 -13.8902 -13.8858 -13.8858 -4.8594 -4.8594 0.3000 0.3000 2.8431 2.8431 4.5587 4.5587 5.4774 5.4774 9.6087 9.6087 10.1750 10.1750 11.6665 11.6665 13.9256 13.9256 k = 0.3281 0.1894 0.5358 ( 2063 PWs) bands (ev): -14.9300 -14.9300 -14.9272 -14.9272 -13.8959 -13.8959 -13.8900 -13.8900 -13.8862 -13.8862 -4.8706 -4.8706 0.2659 0.2659 2.8935 2.8935 4.6096 4.6096 5.5700 5.5700 9.5022 9.5022 10.0769 10.0769 11.6246 11.6246 14.1173 14.1173 k = 0.3214 0.1856 0.5249 ( 2051 PWs) bands (ev): -14.9300 -14.9300 -14.9271 -14.9271 -13.8958 -13.8958 -13.8897 -13.8897 -13.8865 -13.8865 -4.8832 -4.8832 0.2361 0.2361 2.9454 2.9454 4.6612 4.6612 5.6635 5.6635 9.3958 9.3958 9.9818 9.9818 11.5830 11.5830 14.3150 14.3150 k = 0.3147 0.1817 0.5140 ( 2047 PWs) bands (ev): -14.9301 -14.9301 -14.9271 -14.9271 -13.8957 -13.8957 -13.8895 -13.8895 -13.8869 -13.8869 -4.8974 -4.8974 0.2106 0.2106 2.9987 2.9987 4.7131 4.7131 5.7577 5.7577 9.2899 9.2899 9.8901 9.8901 11.5419 11.5419 14.5181 14.5181 k = 0.3080 0.1778 0.5030 ( 2043 PWs) bands (ev): -14.9301 -14.9301 -14.9271 -14.9271 -13.8956 -13.8956 -13.8893 -13.8893 -13.8872 -13.8872 -4.9130 -4.9130 0.1896 0.1896 3.0532 3.0532 4.7652 4.7652 5.8526 5.8526 9.1847 9.1847 9.8021 9.8021 11.5015 11.5015 14.7261 14.7261 k = 0.3013 0.1740 0.4921 ( 2045 PWs) bands (ev): -14.9302 -14.9302 -14.9271 -14.9271 -13.8955 -13.8955 -13.8892 -13.8892 -13.8874 -13.8874 -4.9302 -4.9302 0.1732 0.1732 3.1090 3.1090 4.8171 4.8171 5.9480 5.9480 9.0807 9.0807 9.7184 9.7184 11.4620 11.4620 14.9383 14.9383 k = 0.2946 0.1701 0.4811 ( 2049 PWs) bands (ev): -14.9302 -14.9302 -14.9270 -14.9270 -13.8954 -13.8954 -13.8892 -13.8892 -13.8876 -13.8876 -4.9488 -4.9488 0.1614 0.1614 3.1659 3.1659 4.8687 4.8687 6.0439 6.0439 8.9782 8.9782 9.6392 9.6392 11.4236 11.4236 15.1539 15.1539 k = 0.2879 0.1662 0.4702 ( 2049 PWs) bands (ev): -14.9303 -14.9303 -14.9270 -14.9270 -13.8953 -13.8953 -13.8893 -13.8893 -13.8876 -13.8876 -4.9690 -4.9690 0.1543 0.1543 3.2239 3.2239 4.9196 4.9196 6.1398 6.1398 8.8775 8.8775 9.5650 9.5650 11.3863 11.3863 15.3701 15.3701 k = 0.2812 0.1624 0.4593 ( 2049 PWs) bands (ev): -14.9303 -14.9303 -14.9271 -14.9271 -13.8952 -13.8952 -13.8895 -13.8895 -13.8876 -13.8876 -4.9906 -4.9906 0.1520 0.1520 3.2828 3.2828 4.9695 4.9695 6.2355 6.2355 8.7792 8.7792 9.4963 9.4963 11.3504 11.3504 15.5666 15.5666 k = 0.2746 0.1585 0.4483 ( 2049 PWs) bands (ev): -14.9304 -14.9304 -14.9271 -14.9271 -13.8951 -13.8951 -13.8898 -13.8898 -13.8875 -13.8875 -5.0136 -5.0136 0.1543 0.1543 3.3426 3.3426 5.0181 5.0181 6.3305 6.3305 8.6837 8.6837 9.4334 9.4334 11.3161 11.3161 15.5652 15.5652 k = 0.2679 0.1546 0.4374 ( 2045 PWs) bands (ev): -14.9304 -14.9304 -14.9271 -14.9271 -13.8950 -13.8950 -13.8901 -13.8901 -13.8874 -13.8874 -5.0380 -5.0380 0.1613 0.1613 3.4031 3.4031 5.0650 5.0650 6.4242 6.4242 8.5918 8.5918 9.3768 9.3768 11.2835 11.2835 15.4648 15.4648 k = 0.2612 0.1508 0.4265 ( 2045 PWs) bands (ev): -14.9305 -14.9305 -14.9271 -14.9271 -13.8949 -13.8949 -13.8904 -13.8904 -13.8873 -13.8873 -5.0636 -5.0636 0.1729 0.1729 3.4643 3.4643 5.1099 5.1099 6.5158 6.5158 8.5045 8.5045 9.3269 9.3269 11.2527 11.2527 15.3591 15.3591 k = 0.2545 0.1469 0.4155 ( 2037 PWs) bands (ev): -14.9305 -14.9305 -14.9272 -14.9272 -13.8948 -13.8948 -13.8907 -13.8907 -13.8872 -13.8872 -5.0904 -5.0904 0.1892 0.1892 3.5260 3.5260 5.1524 5.1524 6.6040 6.6040 8.4230 8.4230 9.2840 9.2840 11.2240 11.2240 15.2538 15.2538 k = 0.2478 0.1430 0.4046 ( 2029 PWs) bands (ev): -14.9306 -14.9306 -14.9272 -14.9272 -13.8947 -13.8947 -13.8910 -13.8910 -13.8871 -13.8871 -5.1183 -5.1183 0.2099 0.2099 3.5881 3.5881 5.1922 5.1922 6.6873 6.6873 8.3488 8.3488 9.2487 9.2487 11.1974 11.1974 15.1502 15.1502 k = 0.2411 0.1392 0.3937 ( 2039 PWs) bands (ev): -14.9306 -14.9306 -14.9273 -14.9273 -13.8946 -13.8946 -13.8913 -13.8913 -13.8871 -13.8871 -5.1472 -5.1472 0.2349 0.2349 3.6505 3.6505 5.2289 5.2289 6.7636 6.7636 8.2842 8.2842 9.2212 9.2212 11.1731 11.1731 15.0486 15.0486 k = 0.2344 0.1353 0.3827 ( 2041 PWs) bands (ev): -14.9307 -14.9307 -14.9274 -14.9274 -13.8946 -13.8946 -13.8916 -13.8916 -13.8871 -13.8871 -5.1770 -5.1770 0.2643 0.2643 3.7130 3.7130 5.2623 5.2623 6.8301 6.8301 8.2320 8.2320 9.2019 9.2019 11.1513 11.1513 14.9493 14.9493 k = 0.2277 0.1315 0.3718 ( 2041 PWs) bands (ev): -14.9307 -14.9307 -14.9275 -14.9275 -13.8945 -13.8945 -13.8919 -13.8919 -13.8871 -13.8871 -5.2075 -5.2075 0.2977 0.2977 3.7756 3.7756 5.2921 5.2921 6.8835 6.8835 8.1954 8.1954 9.1911 9.1911 11.1321 11.1321 14.8523 14.8523 k = 0.2210 0.1276 0.3609 ( 2041 PWs) bands (ev): -14.9308 -14.9308 -14.9276 -14.9276 -13.8944 -13.8944 -13.8922 -13.8922 -13.8871 -13.8871 -5.2387 -5.2387 0.3352 0.3352 3.8382 3.8382 5.3182 5.3182 6.9205 6.9205 8.1778 8.1778 9.1889 9.1889 11.1157 11.1157 14.7579 14.7579 k = 0.2143 0.1237 0.3499 ( 2041 PWs) bands (ev): -14.9308 -14.9308 -14.9277 -14.9277 -13.8943 -13.8943 -13.8925 -13.8925 -13.8871 -13.8871 -5.2703 -5.2703 0.3765 0.3765 3.9004 3.9004 5.3402 5.3402 6.9385 6.9385 8.1818 8.1818 9.1956 9.1956 11.1021 11.1021 14.6661 14.6661 k = 0.2076 0.1199 0.3390 ( 2035 PWs) bands (ev): -14.9309 -14.9309 -14.9278 -14.9278 -13.8942 -13.8942 -13.8927 -13.8927 -13.8872 -13.8872 -5.3024 -5.3024 0.4214 0.4214 3.9624 3.9624 5.3582 5.3582 6.9366 6.9366 8.2082 8.2082 9.2113 9.2113 11.0915 11.0915 14.5770 14.5770 k = 0.2009 0.1160 0.3281 ( 2035 PWs) bands (ev): -14.9309 -14.9309 -14.9279 -14.9279 -13.8942 -13.8942 -13.8929 -13.8929 -13.8872 -13.8872 -5.3347 -5.3347 0.4699 0.4699 4.0238 4.0238 5.3722 5.3722 6.9159 6.9159 8.2560 8.2560 9.2359 9.2359 11.0839 11.0839 14.4907 14.4907 k = 0.1942 0.1121 0.3171 ( 2029 PWs) bands (ev): -14.9309 -14.9309 -14.9280 -14.9280 -13.8942 -13.8942 -13.8931 -13.8931 -13.8873 -13.8873 -5.3671 -5.3671 0.5217 0.5217 4.0845 4.0845 5.3821 5.3821 6.8790 6.8790 8.3223 8.3223 9.2694 9.2694 11.0796 11.0796 14.4072 14.4072 k = 0.1875 0.1083 0.3062 ( 2035 PWs) bands (ev): -14.9310 -14.9310 -14.9282 -14.9282 -13.8942 -13.8942 -13.8932 -13.8932 -13.8874 -13.8874 -5.3996 -5.3996 0.5766 0.5766 4.1445 4.1445 5.3883 5.3883 6.8293 6.8293 8.4038 8.4038 9.3116 9.3116 11.0785 11.0785 14.3266 14.3266 k = 0.1808 0.1044 0.2953 ( 2035 PWs) bands (ev): -14.9310 -14.9310 -14.9283 -14.9283 -13.8944 -13.8944 -13.8933 -13.8933 -13.8876 -13.8876 -5.4319 -5.4319 0.6345 0.6345 4.2035 4.2035 5.3907 5.3907 6.7698 6.7698 8.4975 8.4975 9.3623 9.3623 11.0808 11.0808 14.2490 14.2490 k = 0.1741 0.1005 0.2843 ( 2035 PWs) bands (ev): -14.9310 -14.9310 -14.9284 -14.9284 -13.8945 -13.8945 -13.8932 -13.8932 -13.8877 -13.8877 -5.4641 -5.4641 0.6951 0.6951 4.2614 4.2614 5.3897 5.3897 6.7031 6.7031 8.6006 8.6006 9.4213 9.4213 11.0865 11.0865 14.1744 14.1744 k = 0.1674 0.0967 0.2734 ( 2039 PWs) bands (ev): -14.9311 -14.9311 -14.9286 -14.9286 -13.8947 -13.8947 -13.8932 -13.8932 -13.8878 -13.8878 -5.4959 -5.4959 0.7583 0.7583 4.3181 4.3181 5.3855 5.3855 6.6311 6.6311 8.7112 8.7112 9.4883 9.4883 11.0956 11.0956 14.1031 14.1031 k = 0.1607 0.0928 0.2624 ( 2037 PWs) bands (ev): -14.9311 -14.9311 -14.9287 -14.9287 -13.8949 -13.8949 -13.8931 -13.8931 -13.8880 -13.8880 -5.5272 -5.5272 0.8237 0.8237 4.3735 4.3735 5.3785 5.3785 6.5554 6.5554 8.8274 8.8274 9.5628 9.5628 11.1082 11.1082 14.0349 14.0349 k = 0.1540 0.0889 0.2515 ( 2037 PWs) bands (ev): -14.9311 -14.9311 -14.9289 -14.9289 -13.8951 -13.8951 -13.8930 -13.8930 -13.8882 -13.8882 -5.5580 -5.5580 0.8913 0.8913 4.4274 4.4274 5.3691 5.3691 6.4771 6.4771 8.9482 8.9482 9.6446 9.6446 11.1243 11.1243 13.9700 13.9700 k = 0.1473 0.0851 0.2406 ( 2037 PWs) bands (ev): -14.9312 -14.9312 -14.9291 -14.9291 -13.8954 -13.8954 -13.8929 -13.8929 -13.8884 -13.8884 -5.5882 -5.5882 0.9607 0.9607 4.4796 4.4796 5.3574 5.3574 6.3971 6.3971 9.0725 9.0725 9.7331 9.7331 11.1438 11.1438 13.9086 13.9086 k = 0.1406 0.0812 0.2296 ( 2055 PWs) bands (ev): -14.9312 -14.9312 -14.9292 -14.9292 -13.8956 -13.8956 -13.8928 -13.8928 -13.8886 -13.8886 -5.6176 -5.6176 1.0316 1.0316 4.5301 4.5301 5.3440 5.3440 6.3159 6.3159 9.1995 9.1995 9.8279 9.8279 11.1668 11.1668 13.8505 13.8505 k = 0.1339 0.0773 0.2187 ( 2047 PWs) bands (ev): -14.9312 -14.9312 -14.9294 -14.9294 -13.8958 -13.8958 -13.8927 -13.8927 -13.8887 -13.8887 -5.6462 -5.6462 1.1040 1.1040 4.5787 4.5787 5.3291 5.3291 6.2341 6.2341 9.3285 9.3285 9.9286 9.9286 11.1931 11.1931 13.7961 13.7961 k = 0.1272 0.0735 0.2078 ( 2047 PWs) bands (ev): -14.9312 -14.9312 -14.9295 -14.9295 -13.8960 -13.8960 -13.8926 -13.8926 -13.8889 -13.8889 -5.6739 -5.6739 1.1773 1.1773 4.6253 4.6253 5.3131 5.3131 6.1522 6.1522 9.4589 9.4589 10.0347 10.0347 11.2226 11.2226 13.7453 13.7453 k = 0.1205 0.0696 0.1968 ( 2041 PWs) bands (ev): -14.9312 -14.9312 -14.9297 -14.9297 -13.8962 -13.8962 -13.8925 -13.8925 -13.8891 -13.8891 -5.7006 -5.7006 1.2515 1.2515 4.6698 4.6698 5.2963 5.2963 6.0706 6.0706 9.5901 9.5901 10.1457 10.1457 11.2552 11.2552 13.6983 13.6983 k = 0.1138 0.0657 0.1859 ( 2039 PWs) bands (ev): -14.9313 -14.9313 -14.9299 -14.9299 -13.8964 -13.8964 -13.8923 -13.8923 -13.8893 -13.8893 -5.7262 -5.7262 1.3261 1.3261 4.7120 4.7120 5.2790 5.2790 5.9895 5.9895 9.7215 9.7215 10.2611 10.2611 11.2907 11.2907 13.6551 13.6551 k = 0.1071 0.0619 0.1750 ( 2037 PWs) bands (ev): -14.9313 -14.9313 -14.9300 -14.9300 -13.8966 -13.8966 -13.8922 -13.8922 -13.8895 -13.8895 -5.7508 -5.7508 1.4007 1.4007 4.7520 4.7520 5.2614 5.2614 5.9094 5.9094 9.8525 9.8525 10.3803 10.3803 11.3289 11.3289 13.6158 13.6158 k = 0.1004 0.0580 0.1640 ( 2045 PWs) bands (ev): -14.9313 -14.9313 -14.9302 -14.9302 -13.8968 -13.8968 -13.8921 -13.8921 -13.8897 -13.8897 -5.7741 -5.7741 1.4751 1.4751 4.7895 4.7895 5.2440 5.2440 5.8305 5.8305 9.9826 9.9826 10.5027 10.5027 11.3697 11.3697 13.5805 13.5805 k = 0.0938 0.0541 0.1531 ( 2043 PWs) bands (ev): -14.9313 -14.9313 -14.9303 -14.9303 -13.8970 -13.8970 -13.8920 -13.8920 -13.8899 -13.8899 -5.7962 -5.7962 1.5489 1.5489 4.8244 4.8244 5.2268 5.2268 5.7533 5.7533 10.1110 10.1110 10.6276 10.6276 11.4127 11.4127 13.5493 13.5493 k = 0.0871 0.0503 0.1422 ( 2043 PWs) bands (ev): -14.9313 -14.9313 -14.9304 -14.9304 -13.8972 -13.8972 -13.8919 -13.8919 -13.8900 -13.8900 -5.8170 -5.8170 1.6215 1.6215 4.8567 4.8567 5.2102 5.2102 5.6781 5.6781 10.2371 10.2371 10.7544 10.7544 11.4578 11.4578 13.5223 13.5223 k = 0.0804 0.0464 0.1312 ( 2043 PWs) bands (ev): -14.9313 -14.9313 -14.9306 -14.9306 -13.8974 -13.8974 -13.8918 -13.8918 -13.8902 -13.8902 -5.8364 -5.8364 1.6926 1.6926 4.8861 4.8861 5.1945 5.1945 5.6054 5.6054 10.3600 10.3600 10.8822 10.8822 11.5045 11.5045 13.4993 13.4993 k = 0.0737 0.0425 0.1203 ( 2051 PWs) bands (ev): -14.9313 -14.9313 -14.9307 -14.9307 -13.8975 -13.8975 -13.8917 -13.8917 -13.8903 -13.8903 -5.8544 -5.8544 1.7616 1.7616 4.9125 4.9125 5.1798 5.1798 5.5356 5.5356 10.4787 10.4787 11.0101 11.0101 11.5526 11.5526 13.4804 13.4804 k = 0.0670 0.0387 0.1094 ( 2051 PWs) bands (ev): -14.9314 -14.9314 -14.9308 -14.9308 -13.8977 -13.8977 -13.8916 -13.8916 -13.8905 -13.8905 -5.8710 -5.8710 1.8279 1.8279 4.9357 4.9357 5.1665 5.1665 5.4693 5.4693 10.5922 10.5922 11.1370 11.1370 11.6017 11.6017 13.4654 13.4654 k = 0.0603 0.0348 0.0984 ( 2055 PWs) bands (ev): -14.9314 -14.9314 -14.9309 -14.9309 -13.8978 -13.8978 -13.8915 -13.8915 -13.8906 -13.8906 -5.8861 -5.8861 1.8910 1.8910 4.9553 4.9553 5.1549 5.1549 5.4072 5.4072 10.6994 10.6994 11.2617 11.2617 11.6514 11.6514 13.4542 13.4542 k = 0.0536 0.0309 0.0875 ( 2053 PWs) bands (ev): -14.9314 -14.9314 -14.9310 -14.9310 -13.8980 -13.8980 -13.8915 -13.8915 -13.8907 -13.8907 -5.8997 -5.8997 1.9502 1.9502 4.9709 4.9709 5.1453 5.1453 5.3499 5.3499 10.7991 10.7991 11.3829 11.3829 11.7012 11.7012 13.4464 13.4464 k = 0.0469 0.0271 0.0765 ( 2057 PWs) bands (ev): -14.9314 -14.9314 -14.9311 -14.9311 -13.8981 -13.8981 -13.8914 -13.8914 -13.8908 -13.8908 -5.9118 -5.9118 2.0048 2.0048 4.9823 4.9823 5.1381 5.1381 5.2982 5.2982 10.8898 10.8898 11.4988 11.4988 11.7505 11.7505 13.4417 13.4417 k = 0.0402 0.0232 0.0656 ( 2065 PWs) bands (ev): -14.9314 -14.9314 -14.9312 -14.9312 -13.8982 -13.8982 -13.8913 -13.8913 -13.8909 -13.8909 -5.9223 -5.9223 2.0541 2.0541 4.9891 4.9891 5.1333 5.1333 5.2528 5.2528 10.9706 10.9706 11.6076 11.6076 11.7983 11.7983 13.4395 13.4395 k = 0.0335 0.0193 0.0547 ( 2065 PWs) bands (ev): -14.9314 -14.9314 -14.9312 -14.9312 -13.8983 -13.8983 -13.8913 -13.8913 -13.8910 -13.8910 -5.9313 -5.9313 2.0974 2.0974 4.9914 4.9914 5.1310 5.1310 5.2146 5.2146 11.0402 11.0402 11.7070 11.7070 11.8433 11.8433 13.4390 13.4390 k = 0.0268 0.0155 0.0437 ( 2069 PWs) bands (ev): -14.9314 -14.9314 -14.9313 -14.9313 -13.8983 -13.8983 -13.8912 -13.8912 -13.8911 -13.8911 -5.9386 -5.9386 2.1340 2.1340 4.9899 4.9899 5.1306 5.1306 5.1840 5.1840 11.0979 11.0979 11.7945 11.7945 11.8840 11.8840 13.4395 13.4395 k = 0.0201 0.0116 0.0328 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9313 -14.9313 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9443 -5.9443 2.1632 2.1632 4.9861 4.9861 5.1313 5.1313 5.1611 5.1611 11.1431 11.1431 11.8670 11.8670 11.9186 11.9186 13.4401 13.4401 k = 0.0134 0.0077 0.0219 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9484 -5.9484 2.1846 2.1846 4.9816 4.9816 5.1324 5.1324 5.1455 5.1455 11.1755 11.1755 11.9218 11.9218 11.9451 11.9451 13.4402 13.4402 k = 0.0067 0.0039 0.0109 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8985 -13.8985 -13.8912 -13.8912 -13.8912 -13.8912 -5.9509 -5.9509 2.1975 2.1975 4.9780 4.9780 5.1333 5.1333 5.1366 5.1366 11.1950 11.1950 11.9559 11.9559 11.9619 11.9619 13.4399 13.4400 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8985 -13.8985 -13.8912 -13.8912 -13.8912 -13.8912 -5.9517 -5.9517 2.2019 2.2019 4.9767 4.9767 5.1336 5.1336 5.1336 5.1336 11.2015 11.2015 11.9676 11.9676 11.9676 11.9676 13.4396 13.4396 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8985 -13.8985 -13.8912 -13.8912 -13.8912 -13.8912 -5.9517 -5.9517 2.2019 2.2019 4.9767 4.9767 5.1336 5.1336 5.1336 5.1336 11.2015 11.2015 11.9676 11.9676 11.9676 11.9676 13.4396 13.4396 k = 0.0109 0.0063 0.0044 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8985 -13.8985 -13.8912 -13.8912 -13.8912 -13.8912 -5.9509 -5.9509 2.1976 2.1976 4.9780 4.9780 5.1337 5.1337 5.1361 5.1361 11.1951 11.1951 11.9579 11.9579 11.9600 11.9600 13.4413 13.4425 k = 0.0217 0.0126 0.0089 ( 2085 PWs) bands (ev): -14.9314 -14.9314 -14.9314 -14.9314 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9485 -5.9485 2.1847 2.1847 4.9818 4.9818 5.1340 5.1340 5.1435 5.1435 11.1760 11.1760 11.9296 11.9296 11.9377 11.9377 13.4458 13.4458 k = 0.0326 0.0188 0.0133 ( 2079 PWs) bands (ev): -14.9314 -14.9314 -14.9313 -14.9313 -13.8984 -13.8984 -13.8912 -13.8912 -13.8911 -13.8911 -5.9444 -5.9444 2.1636 2.1636 4.9873 4.9873 5.1345 5.1345 5.1564 5.1564 11.1449 11.1449 11.8838 11.8838 11.9015 11.9015 13.4526 13.4526 k = 0.0435 0.0251 0.0177 ( 2073 PWs) bands (ev): -14.9314 -14.9314 -14.9313 -14.9313 -13.8984 -13.8984 -13.8913 -13.8913 -13.8910 -13.8910 -5.9388 -5.9388 2.1345 2.1345 4.9939 4.9939 5.1352 5.1352 5.1751 5.1751 11.1023 11.1023 11.8228 11.8228 11.8528 11.8528 13.4607 13.4607 k = 0.0543 0.0314 0.0222 ( 2067 PWs) bands (ev): -14.9314 -14.9314 -14.9312 -14.9312 -13.8983 -13.8983 -13.8913 -13.8913 -13.8910 -13.8910 -5.9315 -5.9315 2.0979 2.0979 5.0008 5.0008 5.1361 5.1361 5.1999 5.1999 11.0493 11.0493 11.7487 11.7487 11.7930 11.7930 13.4692 13.4692 k = 0.0652 0.0377 0.0266 ( 2061 PWs) bands (ev): -14.9314 -14.9314 -14.9312 -14.9312 -13.8982 -13.8982 -13.8914 -13.8914 -13.8909 -13.8909 -5.9227 -5.9227 2.0543 2.0543 5.0075 5.0075 5.1372 5.1372 5.2307 5.2307 10.9869 10.9869 11.6640 11.6640 11.7239 11.7239 13.4774 13.4774 k = 0.0761 0.0439 0.0311 ( 2055 PWs) bands (ev): -14.9314 -14.9314 -14.9311 -14.9311 -13.8981 -13.8981 -13.8914 -13.8914 -13.8908 -13.8908 -5.9123 -5.9123 2.0044 2.0044 5.0138 5.0138 5.1385 5.1385 5.2674 5.2674 10.9163 10.9163 11.5708 11.5708 11.6470 11.6470 13.4849 13.4849 k = 0.0870 0.0502 0.0355 ( 2055 PWs) bands (ev): -14.9314 -14.9314 -14.9310 -14.9310 -13.8980 -13.8980 -13.8915 -13.8915 -13.8907 -13.8907 -5.9004 -5.9004 1.9488 1.9488 5.0196 5.0196 5.1401 5.1401 5.3092 5.3092 10.8385 10.8385 11.4710 11.4710 11.5638 11.5638 13.4917 13.4917 k = 0.0978 0.0565 0.0399 ( 2049 PWs) bands (ev): -14.9314 -14.9314 -14.9309 -14.9309 -13.8978 -13.8978 -13.8916 -13.8916 -13.8906 -13.8906 -5.8870 -5.8870 1.8880 1.8880 5.0251 5.0251 5.1419 5.1419 5.3555 5.3555 10.7546 10.7546 11.3662 11.3662 11.4755 11.4755 13.4978 13.4978 k = 0.1087 0.0628 0.0444 ( 2043 PWs) bands (ev): -14.9314 -14.9314 -14.9308 -14.9308 -13.8977 -13.8977 -13.8917 -13.8917 -13.8904 -13.8904 -5.8720 -5.8720 1.8227 1.8227 5.0303 5.0303 5.1439 5.1439 5.4056 5.4056 10.6655 10.6655 11.2580 11.2580 11.3833 11.3833 13.5037 13.5037 k = 0.1196 0.0690 0.0488 ( 2049 PWs) bands (ev): -14.9314 -14.9314 -14.9306 -14.9306 -13.8976 -13.8976 -13.8918 -13.8918 -13.8903 -13.8903 -5.8557 -5.8557 1.7534 1.7534 5.0354 5.0354 5.1461 5.1461 5.4588 5.4588 10.5722 10.5722 11.1474 11.1474 11.2883 11.2883 13.5099 13.5099 k = 0.1304 0.0753 0.0532 ( 2049 PWs) bands (ev): -14.9314 -14.9314 -14.9305 -14.9305 -13.8974 -13.8974 -13.8919 -13.8919 -13.8901 -13.8901 -5.8379 -5.8379 1.6807 1.6807 5.0405 5.0405 5.1486 5.1486 5.5147 5.5147 10.4755 10.4755 11.0354 11.0354 11.1912 11.1912 13.5169 13.5169 k = 0.1413 0.0816 0.0577 ( 2046 PWs) bands (ev): -14.9314 -14.9314 -14.9304 -14.9304 -13.8972 -13.8972 -13.8920 -13.8920 -13.8900 -13.8900 -5.8188 -5.8188 1.6051 1.6051 5.0457 5.0457 5.1514 5.1514 5.5726 5.5726 10.3761 10.3761 10.9227 10.9227 11.0927 11.0927 13.5252 13.5252 k = 0.1522 0.0879 0.0621 ( 2046 PWs) bands (ev): -14.9314 -14.9314 -14.9302 -14.9302 -13.8971 -13.8971 -13.8921 -13.8921 -13.8898 -13.8898 -5.7983 -5.7983 1.5270 1.5270 5.0510 5.0510 5.1544 5.1544 5.6321 5.6321 10.2745 10.2745 10.8102 10.8102 10.9935 10.9935 13.5355 13.5355 k = 0.1630 0.0941 0.0666 ( 2046 PWs) bands (ev): -14.9314 -14.9314 -14.9300 -14.9300 -13.8969 -13.8969 -13.8921 -13.8921 -13.8896 -13.8896 -5.7766 -5.7766 1.4469 1.4469 5.0565 5.0565 5.1576 5.1576 5.6928 5.6928 10.1715 10.1715 10.6982 10.6982 10.8941 10.8941 13.5481 13.5481 k = 0.1739 0.1004 0.0710 ( 2046 PWs) bands (ev): -14.9314 -14.9314 -14.9299 -14.9299 -13.8967 -13.8967 -13.8922 -13.8922 -13.8894 -13.8894 -5.7537 -5.7537 1.3652 1.3652 5.0621 5.0621 5.1612 5.1612 5.7542 5.7542 10.0675 10.0675 10.5873 10.5873 10.7950 10.7950 13.5636 13.5636 k = 0.1848 0.1067 0.0754 ( 2040 PWs) bands (ev): -14.9314 -14.9314 -14.9297 -14.9297 -13.8966 -13.8966 -13.8923 -13.8923 -13.8892 -13.8892 -5.7296 -5.7296 1.2822 1.2822 5.0681 5.0681 5.1650 5.1650 5.8162 5.8162 9.9629 9.9629 10.4778 10.4778 10.6965 10.6965 13.5824 13.5824 k = 0.1957 0.1130 0.0799 ( 2040 PWs) bands (ev): -14.9314 -14.9314 -14.9295 -14.9295 -13.8964 -13.8964 -13.8924 -13.8924 -13.8890 -13.8890 -5.7045 -5.7045 1.1983 1.1983 5.0742 5.0742 5.1691 5.1691 5.8785 5.8785 9.8581 9.8581 10.3701 10.3701 10.5991 10.5991 13.6048 13.6048 k = 0.2065 0.1192 0.0843 ( 2031 PWs) bands (ev): -14.9314 -14.9314 -14.9293 -14.9293 -13.8963 -13.8963 -13.8924 -13.8924 -13.8888 -13.8888 -5.6784 -5.6784 1.1139 1.1139 5.0807 5.0807 5.1734 5.1734 5.9407 5.9407 9.7536 9.7536 10.2643 10.2643 10.5029 10.5029 13.6312 13.6312 k = 0.2174 0.1255 0.0887 ( 2031 PWs) bands (ev): -14.9314 -14.9314 -14.9292 -14.9292 -13.8962 -13.8962 -13.8925 -13.8925 -13.8885 -13.8885 -5.6513 -5.6513 1.0292 1.0292 5.0874 5.0874 5.1780 5.1780 6.0028 6.0028 9.6496 9.6496 10.1607 10.1607 10.4084 10.4084 13.6617 13.6617 k = 0.2283 0.1318 0.0932 ( 2042 PWs) bands (ev): -14.9314 -14.9314 -14.9290 -14.9290 -13.8961 -13.8961 -13.8925 -13.8925 -13.8883 -13.8883 -5.6235 -5.6235 0.9445 0.9445 5.0943 5.0943 5.1828 5.1828 6.0646 6.0646 9.5463 9.5463 10.0595 10.0595 10.3156 10.3156 13.6966 13.6966 k = 0.2391 0.1381 0.0976 ( 2042 PWs) bands (ev): -14.9314 -14.9314 -14.9288 -14.9288 -13.8960 -13.8960 -13.8924 -13.8924 -13.8881 -13.8881 -5.5949 -5.5949 0.8602 0.8602 5.1016 5.1016 5.1879 5.1879 6.1260 6.1260 9.4441 9.4441 9.9609 9.9609 10.2249 10.2249 13.7360 13.7360 k = 0.2500 0.1443 0.1021 ( 2048 PWs) bands (ev): -14.9314 -14.9314 -14.9286 -14.9286 -13.8960 -13.8960 -13.8924 -13.8924 -13.8879 -13.8879 -5.5656 -5.5656 0.7764 0.7764 5.1090 5.1090 5.1932 5.1932 6.1868 6.1868 9.3431 9.3431 9.8649 9.8649 10.1364 10.1364 13.7801 13.7801 k = 0.2609 0.1506 0.1065 ( 2039 PWs) bands (ev): -14.9314 -14.9314 -14.9284 -14.9284 -13.8960 -13.8960 -13.8923 -13.8923 -13.8876 -13.8876 -5.5359 -5.5359 0.6935 0.6935 5.1167 5.1167 5.1988 5.1988 6.2470 6.2470 9.2435 9.2435 9.7719 9.7719 10.0504 10.0504 13.8290 13.8290 k = 0.2717 0.1569 0.1109 ( 2033 PWs) bands (ev): -14.9314 -14.9314 -14.9282 -14.9282 -13.8960 -13.8960 -13.8922 -13.8922 -13.8874 -13.8874 -5.5058 -5.5058 0.6118 0.6118 5.1246 5.1246 5.2045 5.2045 6.3065 6.3065 9.1455 9.1455 9.6818 9.6818 9.9669 9.9669 13.8826 13.8826 k = 0.2826 0.1632 0.1154 ( 2033 PWs) bands (ev): -14.9314 -14.9314 -14.9280 -14.9280 -13.8960 -13.8960 -13.8921 -13.8921 -13.8872 -13.8872 -5.4754 -5.4754 0.5314 0.5314 5.1326 5.1326 5.2103 5.2103 6.3653 6.3653 9.0491 9.0491 9.5948 9.5948 9.8862 9.8862 13.9409 13.9409 k = 0.2935 0.1694 0.1198 ( 2033 PWs) bands (ev): -14.9314 -14.9314 -14.9278 -14.9278 -13.8961 -13.8961 -13.8919 -13.8919 -13.8870 -13.8870 -5.4449 -5.4449 0.4527 0.4527 5.1408 5.1408 5.2163 5.2163 6.4235 6.4235 8.9545 8.9545 9.5110 9.5110 9.8083 9.8083 14.0039 14.0039 k = 0.3043 0.1757 0.1242 ( 2030 PWs) bands (ev): -14.9314 -14.9314 -14.9276 -14.9276 -13.8962 -13.8962 -13.8917 -13.8917 -13.8867 -13.8867 -5.4143 -5.4143 0.3759 0.3759 5.1491 5.1491 5.2224 5.2224 6.4810 6.4810 8.8618 8.8618 9.4305 9.4305 9.7335 9.7335 14.0716 14.0716 k = 0.3152 0.1820 0.1287 ( 2030 PWs) bands (ev): -14.9315 -14.9315 -14.9275 -14.9275 -13.8963 -13.8963 -13.8916 -13.8916 -13.8865 -13.8865 -5.3840 -5.3840 0.3012 0.3012 5.1575 5.1575 5.2285 5.2285 6.5378 6.5378 8.7710 8.7710 9.3535 9.3535 9.6619 9.6619 14.1436 14.1436 k = 0.3261 0.1883 0.1331 ( 2030 PWs) bands (ev): -14.9315 -14.9315 -14.9273 -14.9273 -13.8964 -13.8964 -13.8914 -13.8914 -13.8863 -13.8863 -5.3540 -5.3540 0.2289 0.2289 5.1659 5.1659 5.2347 5.2347 6.5941 6.5941 8.6821 8.6821 9.2800 9.2800 9.5935 9.5935 14.2200 14.2200 k = 0.3370 0.1945 0.1376 ( 2030 PWs) bands (ev): -14.9315 -14.9315 -14.9271 -14.9271 -13.8965 -13.8965 -13.8912 -13.8912 -13.8861 -13.8861 -5.3245 -5.3245 0.1593 0.1593 5.1742 5.1742 5.2409 5.2409 6.6498 6.6498 8.5953 8.5953 9.2102 9.2102 9.5286 9.5286 14.3003 14.3003 k = 0.3478 0.2008 0.1420 ( 2030 PWs) bands (ev): -14.9315 -14.9315 -14.9270 -14.9270 -13.8966 -13.8966 -13.8910 -13.8910 -13.8859 -13.8859 -5.2956 -5.2956 0.0926 0.0926 5.1824 5.1824 5.2469 5.2469 6.7050 6.7050 8.5106 8.5106 9.1442 9.1442 9.4673 9.4673 14.3844 14.3844 k = 0.3587 0.2071 0.1464 ( 2030 PWs) bands (ev): -14.9315 -14.9315 -14.9268 -14.9268 -13.8967 -13.8967 -13.8908 -13.8908 -13.8857 -13.8857 -5.2676 -5.2676 0.0291 0.0291 5.1904 5.1904 5.2529 5.2529 6.7597 6.7597 8.4279 8.4279 9.0821 9.0821 9.4095 9.4095 14.4718 14.4718 k = 0.3696 0.2134 0.1509 ( 2039 PWs) bands (ev): -14.9315 -14.9315 -14.9267 -14.9267 -13.8968 -13.8968 -13.8906 -13.8906 -13.8856 -13.8856 -5.2407 -5.2407 -0.0310 -0.0310 5.1982 5.1982 5.2587 5.2587 6.8142 6.8142 8.3472 8.3472 9.0240 9.0240 9.3556 9.3556 14.5621 14.5621 k = 0.3804 0.2196 0.1553 ( 2045 PWs) bands (ev): -14.9315 -14.9315 -14.9265 -14.9265 -13.8969 -13.8969 -13.8905 -13.8905 -13.8854 -13.8854 -5.2149 -5.2149 -0.0875 -0.0875 5.2058 5.2058 5.2643 5.2643 6.8683 6.8683 8.2687 8.2687 8.9700 8.9700 9.3055 9.3055 14.6547 14.6547 k = 0.3913 0.2259 0.1597 ( 2045 PWs) bands (ev): -14.9315 -14.9315 -14.9264 -14.9264 -13.8970 -13.8970 -13.8903 -13.8903 -13.8853 -13.8853 -5.1906 -5.1906 -0.1400 -0.1400 5.2129 5.2129 5.2696 5.2696 6.9223 6.9223 8.1921 8.1921 8.9203 8.9203 9.2594 9.2594 14.7489 14.7489 k = 0.4022 0.2322 0.1642 ( 2045 PWs) bands (ev): -14.9315 -14.9315 -14.9263 -14.9263 -13.8971 -13.8971 -13.8902 -13.8902 -13.8851 -13.8851 -5.1679 -5.1679 -0.1884 -0.1884 5.2197 5.2197 5.2747 5.2747 6.9761 6.9761 8.1177 8.1177 8.8749 8.8749 9.2174 9.2174 14.8438 14.8438 k = 0.4130 0.2385 0.1686 ( 2054 PWs) bands (ev): -14.9315 -14.9315 -14.9262 -14.9262 -13.8972 -13.8972 -13.8900 -13.8900 -13.8850 -13.8850 -5.1470 -5.1470 -0.2324 -0.2324 5.2259 5.2259 5.2793 5.2793 7.0298 7.0298 8.0454 8.0454 8.8340 8.8340 9.1795 9.1795 14.9383 14.9383 k = 0.4239 0.2447 0.1731 ( 2054 PWs) bands (ev): -14.9315 -14.9315 -14.9261 -14.9261 -13.8973 -13.8973 -13.8899 -13.8899 -13.8849 -13.8849 -5.1280 -5.1280 -0.2718 -0.2718 5.2316 5.2316 5.2835 5.2835 7.0833 7.0833 7.9752 7.9752 8.7976 8.7976 9.1459 9.1459 15.0310 15.0310 k = 0.4348 0.2510 0.1775 ( 2054 PWs) bands (ev): -14.9315 -14.9315 -14.9260 -14.9260 -13.8973 -13.8973 -13.8898 -13.8898 -13.8848 -13.8848 -5.1112 -5.1112 -0.3064 -0.3064 5.2367 5.2367 5.2873 5.2873 7.1368 7.1368 7.9073 7.9073 8.7659 8.7659 9.1166 9.1166 15.1202 15.1202 k = 0.4457 0.2573 0.1819 ( 2042 PWs) bands (ev): -14.9315 -14.9315 -14.9259 -14.9259 -13.8974 -13.8974 -13.8897 -13.8897 -13.8847 -13.8847 -5.0967 -5.0967 -0.3360 -0.3360 5.2411 5.2411 5.2906 5.2906 7.1899 7.1899 7.8419 7.8419 8.7389 8.7389 9.0917 9.0917 15.2038 15.2038 k = 0.4565 0.2636 0.1864 ( 2048 PWs) bands (ev): -14.9315 -14.9315 -14.9259 -14.9259 -13.8974 -13.8974 -13.8897 -13.8897 -13.8846 -13.8846 -5.0847 -5.0847 -0.3605 -0.3605 5.2448 5.2448 5.2933 5.2933 7.2422 7.2422 7.7794 7.7794 8.7167 8.7167 9.0712 9.0712 15.2789 15.2789 k = 0.4674 0.2698 0.1908 ( 2048 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8896 -13.8896 -13.8846 -13.8846 -5.0751 -5.0751 -0.3797 -0.3797 5.2477 5.2477 5.2955 5.2955 7.2928 7.2928 7.7209 7.7209 8.6994 8.6994 9.0552 9.0552 15.3426 15.3426 k = 0.4783 0.2761 0.1952 ( 2048 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8896 -13.8896 -13.8845 -13.8845 -5.0683 -5.0683 -0.3935 -0.3935 5.2498 5.2498 5.2970 5.2970 7.3392 7.3392 7.6688 7.6688 8.6869 8.6869 9.0438 9.0438 15.3914 15.3914 k = 0.4891 0.2824 0.1997 ( 2039 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0641 -5.0641 -0.4018 -0.4018 5.2511 5.2511 5.2980 5.2980 7.3758 7.3758 7.6288 7.6288 8.6795 8.6795 9.0369 9.0369 15.4223 15.4223 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0627 -5.0627 -0.4046 -0.4046 5.2515 5.2515 5.2983 5.2983 7.3909 7.3909 7.6126 7.6126 8.6770 8.6770 9.0346 9.0346 15.4329 15.4329 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0627 -5.0627 -0.4046 -0.4046 5.2515 5.2515 5.2983 5.2983 7.3909 7.3909 7.6126 7.6126 8.6770 8.6770 9.0346 9.0346 15.4329 15.4329 k = 0.5038 0.2777 0.2103 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0623 -5.0623 -0.4034 -0.4034 5.2459 5.2459 5.2928 5.2928 7.3978 7.3978 7.5977 7.5977 8.6889 8.6889 9.0447 9.0447 15.4293 15.4293 k = 0.5076 0.2668 0.2165 ( 2039 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0610 -5.0610 -0.3999 -0.3999 5.2267 5.2267 5.2794 5.2794 7.4152 7.4152 7.5589 7.5589 8.7209 8.7209 9.0757 9.0757 15.4186 15.4186 k = 0.5114 0.2559 0.2227 ( 2043 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8846 -13.8846 -5.0588 -5.0588 -0.3941 -0.3941 5.1898 5.1898 5.2634 5.2634 7.4185 7.4185 7.5263 7.5263 8.7650 8.7650 9.1287 9.1287 15.4012 15.4012 k = 0.5152 0.2449 0.2289 ( 2042 PWs) bands (ev): -14.9314 -14.9314 -14.9258 -14.9258 -13.8974 -13.8974 -13.8895 -13.8895 -13.8846 -13.8846 -5.0559 -5.0559 -0.3859 -0.3859 5.1358 5.1358 5.2462 5.2462 7.3611 7.3611 7.5520 7.5520 8.8137 8.8137 9.2036 9.2036 15.3773 15.3773 k = 0.5189 0.2340 0.2351 ( 2040 PWs) bands (ev): -14.9314 -14.9314 -14.9259 -14.9259 -13.8974 -13.8974 -13.8895 -13.8895 -13.8847 -13.8847 -5.0520 -5.0520 -0.3755 -0.3755 5.0679 5.0679 5.2267 5.2267 7.2713 7.2713 7.6117 7.6117 8.8633 8.8633 9.2977 9.2977 15.3475 15.3475 k = 0.5227 0.2231 0.2412 ( 2042 PWs) bands (ev): -14.9314 -14.9314 -14.9259 -14.9259 -13.8973 -13.8973 -13.8895 -13.8895 -13.8848 -13.8848 -5.0474 -5.0474 -0.3627 -0.3627 4.9888 4.9888 5.2046 5.2046 7.1706 7.1706 7.6862 7.6862 8.9132 8.9132 9.4068 9.4068 15.3122 15.3122 k = 0.5265 0.2121 0.2474 ( 2042 PWs) bands (ev): -14.9313 -14.9313 -14.9259 -14.9259 -13.8972 -13.8972 -13.8895 -13.8895 -13.8849 -13.8849 -5.0420 -5.0420 -0.3477 -0.3477 4.9008 4.9008 5.1796 5.1796 7.0650 7.0650 7.7703 7.7703 8.9644 8.9644 9.5265 9.5265 15.2715 15.2715 k = 0.5303 0.2012 0.2536 ( 2037 PWs) bands (ev): -14.9313 -14.9313 -14.9260 -14.9260 -13.8971 -13.8971 -13.8894 -13.8894 -13.8850 -13.8850 -5.0359 -5.0359 -0.3304 -0.3304 4.8057 4.8057 5.1519 5.1519 6.9573 6.9573 7.8618 7.8618 9.0177 9.0177 9.6533 9.6533 15.2257 15.2257 k = 0.5341 0.1903 0.2598 ( 2035 PWs) bands (ev): -14.9312 -14.9312 -14.9260 -14.9260 -13.8970 -13.8970 -13.8894 -13.8894 -13.8852 -13.8852 -5.0290 -5.0290 -0.3109 -0.3109 4.7051 4.7051 5.1218 5.1218 6.8492 6.8492 7.9589 7.9589 9.0737 9.0737 9.7844 9.7844 15.1745 15.1745 k = 0.5379 0.1793 0.2660 ( 2039 PWs) bands (ev): -14.9312 -14.9312 -14.9261 -14.9261 -13.8969 -13.8969 -13.8894 -13.8894 -13.8853 -13.8853 -5.0215 -5.0215 -0.2892 -0.2892 4.6002 4.6002 5.0895 5.0895 6.7417 6.7417 8.0604 8.0604 9.1327 9.1327 9.9177 9.9177 15.1176 15.1176 k = 0.5417 0.1684 0.2722 ( 2040 PWs) bands (ev): -14.9311 -14.9311 -14.9261 -14.9261 -13.8968 -13.8968 -13.8894 -13.8894 -13.8855 -13.8855 -5.0134 -5.0134 -0.2653 -0.2653 4.4922 4.4922 5.0553 5.0553 6.6355 6.6355 8.1652 8.1652 9.1947 9.1947 10.0516 10.0516 15.0547 15.0547 k = 0.5455 0.1575 0.2784 ( 2040 PWs) bands (ev): -14.9310 -14.9310 -14.9262 -14.9262 -13.8967 -13.8967 -13.8894 -13.8894 -13.8856 -13.8856 -5.0046 -5.0046 -0.2393 -0.2393 4.3819 4.3819 5.0194 5.0194 6.5312 6.5312 8.2724 8.2724 9.2596 9.2596 10.1849 10.1849 14.9853 14.9853 k = 0.5492 0.1465 0.2845 ( 2036 PWs) bands (ev): -14.9310 -14.9310 -14.9263 -14.9263 -13.8966 -13.8966 -13.8894 -13.8894 -13.8857 -13.8857 -4.9954 -4.9954 -0.2112 -0.2112 4.2701 4.2701 4.9823 4.9823 6.4291 6.4291 8.3815 8.3815 9.3272 9.3272 10.3164 10.3164 14.9094 14.9094 k = 0.5530 0.1356 0.2907 ( 2046 PWs) bands (ev): -14.9309 -14.9309 -14.9263 -14.9263 -13.8965 -13.8965 -13.8894 -13.8894 -13.8858 -13.8858 -4.9856 -4.9856 -0.1810 -0.1810 4.1576 4.1576 4.9440 4.9440 6.3293 6.3293 8.4916 8.4916 9.3974 9.3974 10.4453 10.4453 14.8267 14.8267 k = 0.5568 0.1247 0.2969 ( 2044 PWs) bands (ev): -14.9308 -14.9308 -14.9264 -14.9264 -13.8965 -13.8965 -13.8894 -13.8894 -13.8860 -13.8860 -4.9755 -4.9755 -0.1490 -0.1490 4.0449 4.0449 4.9050 4.9050 6.2321 6.2321 8.6024 8.6024 9.4697 9.4697 10.5707 10.5707 14.7378 14.7378 k = 0.5606 0.1137 0.3031 ( 2048 PWs) bands (ev): -14.9307 -14.9307 -14.9265 -14.9265 -13.8964 -13.8964 -13.8894 -13.8894 -13.8860 -13.8860 -4.9650 -4.9650 -0.1150 -0.1150 3.9327 3.9327 4.8654 4.8654 6.1375 6.1375 8.7132 8.7132 9.5440 9.5440 10.6921 10.6921 14.6433 14.6433 k = 0.5644 0.1028 0.3093 ( 2048 PWs) bands (ev): -14.9307 -14.9307 -14.9265 -14.9265 -13.8963 -13.8963 -13.8894 -13.8894 -13.8861 -13.8861 -4.9543 -4.9543 -0.0792 -0.0792 3.8214 3.8214 4.8255 4.8255 6.0457 6.0457 8.8237 8.8237 9.6198 9.6198 10.8087 10.8087 14.5440 14.5440 k = 0.5682 0.0919 0.3155 ( 2044 PWs) bands (ev): -14.9306 -14.9306 -14.9266 -14.9266 -13.8963 -13.8963 -13.8895 -13.8895 -13.8861 -13.8861 -4.9434 -4.9434 -0.0418 -0.0418 3.7117 3.7117 4.7855 4.7855 5.9566 5.9566 8.9333 8.9333 9.6970 9.6970 10.9202 10.9202 14.4409 14.4409 k = 0.5720 0.0809 0.3217 ( 2042 PWs) bands (ev): -14.9305 -14.9305 -14.9267 -14.9267 -13.8962 -13.8962 -13.8896 -13.8896 -13.8861 -13.8861 -4.9324 -4.9324 -0.0028 -0.0028 3.6039 3.6039 4.7457 4.7457 5.8703 5.8703 9.0417 9.0417 9.7750 9.7750 11.0262 11.0262 14.3350 14.3350 k = 0.5758 0.0700 0.3278 ( 2044 PWs) bands (ev): -14.9304 -14.9304 -14.9268 -14.9268 -13.8962 -13.8962 -13.8897 -13.8897 -13.8860 -13.8860 -4.9213 -4.9213 0.0377 0.0377 3.4985 3.4985 4.7061 4.7061 5.7868 5.7868 9.1484 9.1484 9.8538 9.8538 11.1264 11.1264 14.2271 14.2271 k = 0.5795 0.0590 0.3340 ( 2046 PWs) bands (ev): -14.9303 -14.9303 -14.9268 -14.9268 -13.8962 -13.8962 -13.8899 -13.8899 -13.8859 -13.8859 -4.9103 -4.9103 0.0795 0.0795 3.3960 3.3960 4.6669 4.6669 5.7060 5.7060 9.2530 9.2530 9.9328 9.9328 11.2208 11.2208 14.1182 14.1182 k = 0.5833 0.0481 0.3402 ( 2054 PWs) bands (ev): -14.9303 -14.9303 -14.9269 -14.9269 -13.8962 -13.8962 -13.8900 -13.8900 -13.8858 -13.8858 -4.8995 -4.8995 0.1224 0.1224 3.2968 3.2968 4.6283 4.6283 5.6280 5.6280 9.3552 9.3552 10.0119 10.0119 11.3093 11.3093 14.0089 14.0089 k = 0.5871 0.0372 0.3464 ( 2050 PWs) bands (ev): -14.9302 -14.9302 -14.9270 -14.9270 -13.8962 -13.8962 -13.8902 -13.8902 -13.8857 -13.8857 -4.8889 -4.8889 0.1661 0.1661 3.2014 3.2014 4.5905 4.5905 5.5527 5.5527 9.4544 9.4544 10.0907 10.0907 11.3919 11.3919 13.9000 13.9000 k = 0.5909 0.0262 0.3526 ( 2058 PWs) bands (ev): -14.9301 -14.9301 -14.9271 -14.9271 -13.8962 -13.8962 -13.8904 -13.8904 -13.8855 -13.8855 -4.8787 -4.8787 0.2106 0.2106 3.1104 3.1104 4.5535 4.5535 5.4801 5.4801 9.5505 9.5505 10.1689 10.1689 11.4688 11.4688 13.7919 13.7919 k = 0.5947 0.0153 0.3588 ( 2060 PWs) bands (ev): -14.9300 -14.9300 -14.9271 -14.9271 -13.8962 -13.8962 -13.8905 -13.8905 -13.8853 -13.8853 -4.8689 -4.8689 0.2554 0.2554 3.0241 3.0241 4.5176 4.5176 5.4102 5.4102 9.6430 9.6430 10.2461 10.2461 11.5401 11.5401 13.6852 13.6852 k = 0.5985 0.0044 0.3649 ( 2058 PWs) bands (ev): -14.9300 -14.9300 -14.9272 -14.9272 -13.8963 -13.8963 -13.8907 -13.8907 -13.8851 -13.8851 -4.8597 -4.8597 0.3003 0.3003 2.9432 2.9432 4.4827 4.4827 5.3429 5.3429 9.7317 9.7317 10.3222 10.3222 11.6061 11.6061 13.5803 13.5803 k = 0.6023-0.0066 0.3711 ( 2057 PWs) bands (ev): -14.9299 -14.9299 -14.9273 -14.9273 -13.8963 -13.8963 -13.8909 -13.8909 -13.8849 -13.8849 -4.8511 -4.8511 0.3449 0.3449 2.8681 2.8681 4.4490 4.4490 5.2782 5.2782 9.8162 9.8162 10.3968 10.3968 11.6667 11.6667 13.4776 13.4776 k = 0.6061-0.0175 0.3773 ( 2061 PWs) bands (ev): -14.9299 -14.9299 -14.9273 -14.9273 -13.8964 -13.8964 -13.8911 -13.8911 -13.8846 -13.8846 -4.8433 -4.8433 0.3888 0.3888 2.7995 2.7995 4.4166 4.4166 5.2161 5.2161 9.8963 9.8963 10.4697 10.4697 11.7221 11.7221 13.3775 13.3775 k = 0.6098-0.0284 0.3835 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9274 -14.9274 -13.8964 -13.8964 -13.8913 -13.8913 -13.8844 -13.8844 -4.8363 -4.8363 0.4315 0.4315 2.7379 2.7379 4.3855 4.3855 5.1565 5.1565 9.9719 9.9719 10.5406 10.5406 11.7723 11.7723 13.2803 13.2803 k = 0.6136-0.0394 0.3897 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9274 -14.9274 -13.8965 -13.8965 -13.8915 -13.8915 -13.8842 -13.8842 -4.8302 -4.8302 0.4727 0.4727 2.6840 2.6840 4.3558 4.3558 5.0995 5.0995 10.0429 10.0429 10.6093 10.6093 11.8170 11.8170 13.1864 13.1864 k = 0.6174-0.0503 0.3959 ( 2057 PWs) bands (ev): -14.9298 -14.9298 -14.9275 -14.9275 -13.8966 -13.8966 -13.8916 -13.8916 -13.8839 -13.8839 -4.8252 -4.8252 0.5118 0.5118 2.6384 2.6384 4.3276 4.3276 5.0449 5.0449 10.1091 10.1091 10.6758 10.6758 11.8561 11.8561 13.0962 13.0962 k = 0.6212-0.0612 0.4021 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9275 -14.9275 -13.8967 -13.8967 -13.8918 -13.8918 -13.8837 -13.8837 -4.8214 -4.8214 0.5483 0.5483 2.6017 2.6017 4.3010 4.3010 4.9928 4.9928 10.1705 10.1705 10.7398 10.7398 11.8889 11.8889 13.0102 13.0102 k = 0.6250-0.0722 0.4082 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8188 -4.8188 0.5817 0.5817 2.5745 2.5745 4.2759 4.2759 4.9432 4.9432 10.2273 10.2273 10.8012 10.8012 11.9149 11.9149 12.9287 12.9287 k = 0.6250-0.0722 0.4082 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8188 -4.8188 0.5817 0.5817 2.5745 2.5745 4.2759 4.2759 4.9432 4.9432 10.2273 10.2273 10.8012 10.8012 11.9149 11.9149 12.9287 12.9287 k = 0.6184-0.0684 0.4190 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8186 -4.8186 0.5822 0.5822 2.5754 2.5754 4.2557 4.2557 4.9641 4.9641 10.2116 10.2116 10.8119 10.8119 11.9139 11.9139 12.9373 12.9373 k = 0.6118-0.0646 0.4297 ( 2063 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8968 -13.8968 -13.8919 -13.8919 -13.8836 -13.8836 -4.8181 -4.8181 0.5837 0.5837 2.5782 2.5782 4.2014 4.2014 5.0206 5.0206 10.1677 10.1677 10.8406 10.8406 11.9109 11.9109 12.9629 12.9629 k = 0.6053-0.0608 0.4405 ( 2067 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8968 -13.8968 -13.8918 -13.8918 -13.8836 -13.8836 -4.8173 -4.8173 0.5862 0.5862 2.5830 2.5830 4.1254 4.1254 5.1002 5.1002 10.1029 10.1029 10.8809 10.8809 11.9058 11.9058 13.0045 13.0045 k = 0.5987-0.0570 0.4512 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8968 -13.8968 -13.8917 -13.8917 -13.8837 -13.8837 -4.8162 -4.8162 0.5896 0.5896 2.5896 2.5896 4.0375 4.0375 5.1931 5.1931 10.0241 10.0241 10.9273 10.9273 11.8989 11.8989 13.0612 13.0612 k = 0.5921-0.0532 0.4620 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9276 -14.9276 -13.8969 -13.8969 -13.8915 -13.8915 -13.8838 -13.8838 -4.8147 -4.8147 0.5939 0.5939 2.5980 2.5980 3.9438 3.9438 5.2929 5.2929 9.9362 9.9362 10.9760 10.9760 11.8900 11.8900 13.1313 13.1313 k = 0.5855-0.0494 0.4727 ( 2059 PWs) bands (ev): -14.9297 -14.9297 -14.9276 -14.9276 -13.8969 -13.8969 -13.8913 -13.8913 -13.8840 -13.8840 -4.8131 -4.8131 0.5990 0.5990 2.6084 2.6084 3.8478 3.8478 5.3959 5.3959 9.8427 9.8427 11.0252 11.0252 11.8793 11.8793 13.2132 13.2132 k = 0.5789-0.0456 0.4835 ( 2063 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8970 -13.8970 -13.8911 -13.8911 -13.8841 -13.8841 -4.8111 -4.8111 0.6047 0.6047 2.6205 2.6205 3.7516 3.7516 5.4997 5.4997 9.7464 9.7464 11.0740 11.0740 11.8669 11.8669 13.3051 13.3051 k = 0.5724-0.0418 0.4942 ( 2061 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8970 -13.8970 -13.8909 -13.8909 -13.8843 -13.8843 -4.8090 -4.8090 0.6110 0.6110 2.6345 2.6345 3.6567 3.6567 5.6025 5.6025 9.6493 9.6493 11.1221 11.1221 11.8527 11.8527 13.4055 13.4055 k = 0.5658-0.0380 0.5049 ( 2059 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8971 -13.8971 -13.8906 -13.8906 -13.8845 -13.8845 -4.8068 -4.8068 0.6177 0.6177 2.6503 2.6503 3.5643 3.5643 5.7028 5.7028 9.5531 9.5531 11.1693 11.1693 11.8369 11.8369 13.5125 13.5125 k = 0.5592-0.0342 0.5157 ( 2059 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8971 -13.8971 -13.8904 -13.8904 -13.8847 -13.8847 -4.8044 -4.8044 0.6247 0.6247 2.6678 2.6678 3.4750 3.4750 5.7992 5.7992 9.4595 9.4595 11.2158 11.2158 11.8195 11.8195 13.6247 13.6247 k = 0.5526-0.0304 0.5264 ( 2055 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8972 -13.8972 -13.8901 -13.8901 -13.8849 -13.8849 -4.8020 -4.8020 0.6318 0.6318 2.6871 2.6871 3.3897 3.3897 5.8905 5.8905 9.3702 9.3702 11.2613 11.2613 11.8005 11.8005 13.7407 13.7407 k = 0.5461-0.0266 0.5372 ( 2057 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8972 -13.8972 -13.8898 -13.8898 -13.8852 -13.8852 -4.7997 -4.7997 0.6387 0.6387 2.7080 2.7080 3.3089 3.3089 5.9754 5.9754 9.2865 9.2865 11.3059 11.3059 11.7803 11.7803 13.8593 13.8593 k = 0.5395-0.0228 0.5479 ( 2058 PWs) bands (ev): -14.9294 -14.9294 -14.9277 -14.9277 -13.8973 -13.8973 -13.8895 -13.8895 -13.8855 -13.8855 -4.7974 -4.7974 0.6454 0.6454 2.7305 2.7305 3.2332 3.2332 6.0525 6.0525 9.2100 9.2100 11.3494 11.3494 11.7588 11.7588 13.9795 13.9795 k = 0.5329-0.0190 0.5587 ( 2055 PWs) bands (ev): -14.9294 -14.9294 -14.9277 -14.9277 -13.8973 -13.8973 -13.8891 -13.8891 -13.8857 -13.8857 -4.7952 -4.7952 0.6515 0.6515 2.7546 2.7546 3.1632 3.1632 6.1205 6.1205 9.1423 9.1423 11.3912 11.3912 11.7363 11.7363 14.1002 14.1002 k = 0.5263-0.0152 0.5694 ( 2049 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8888 -13.8888 -13.8860 -13.8860 -4.7933 -4.7933 0.6569 0.6569 2.7799 2.7799 3.0995 3.0995 6.1780 6.1780 9.0847 9.0847 11.4310 11.4310 11.7132 11.7132 14.2206 14.2206 k = 0.5197-0.0114 0.5801 ( 2045 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8885 -13.8885 -13.8863 -13.8863 -4.7916 -4.7916 0.6613 0.6613 2.8063 2.8063 3.0427 3.0427 6.2240 6.2240 9.0385 9.0385 11.4676 11.4676 11.6902 11.6902 14.3395 14.3395 k = 0.5132-0.0076 0.5909 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8882 -13.8882 -13.8866 -13.8866 -4.7903 -4.7903 0.6647 0.6647 2.8329 2.8329 2.9941 2.9941 6.2574 6.2574 9.0049 9.0049 11.4994 11.4994 11.6687 11.6687 14.4552 14.4552 k = 0.5066-0.0038 0.6016 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8974 -13.8974 -13.8880 -13.8880 -13.8868 -13.8868 -4.7895 -4.7895 0.6668 0.6668 2.8571 2.8571 2.9565 2.9565 6.2775 6.2775 8.9846 8.9846 11.5227 11.5227 11.6519 11.6519 14.5610 14.5610 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -14.9293 -14.9293 -14.9278 -14.9278 -13.8974 -13.8974 -13.8879 -13.8879 -13.8869 -13.8869 -4.7892 -4.7892 0.6675 0.6675 2.8689 2.8689 2.9402 2.9402 6.2842 6.2842 8.9778 8.9778 11.5316 11.5316 11.6452 11.6452 14.6187 14.6187 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -14.9293 -14.9293 -14.9278 -14.9278 -13.8974 -13.8974 -13.8879 -13.8879 -13.8869 -13.8869 -4.7892 -4.7892 0.6675 0.6675 2.8689 2.8689 2.9402 2.9402 6.2842 6.2842 8.9778 8.9778 11.5316 11.5316 11.6452 11.6452 14.6187 14.6187 k = 0.5000 0.0076 0.6016 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8879 -13.8879 -13.8869 -13.8869 -4.7897 -4.7897 0.6641 0.6641 2.8731 2.8731 2.9444 2.9444 6.2842 6.2842 8.9760 8.9760 11.5290 11.5290 11.6432 11.6432 14.6182 14.6182 k = 0.5000 0.0152 0.5909 ( 2048 PWs) bands (ev): -14.9294 -14.9294 -14.9278 -14.9278 -13.8973 -13.8973 -13.8879 -13.8879 -13.8870 -13.8870 -4.7912 -4.7912 0.6539 0.6539 2.8850 2.8850 2.9571 2.9571 6.2842 6.2842 8.9707 8.9707 11.5210 11.5210 11.6376 11.6376 14.6168 14.6168 k = 0.5000 0.0228 0.5801 ( 2050 PWs) bands (ev): -14.9294 -14.9294 -14.9277 -14.9277 -13.8973 -13.8973 -13.8879 -13.8879 -13.8870 -13.8870 -4.7937 -4.7937 0.6373 0.6373 2.9035 2.9035 2.9792 2.9792 6.2841 6.2841 8.9619 8.9619 11.5070 11.5070 11.6283 11.6283 14.6148 14.6148 k = 0.5000 0.0304 0.5694 ( 2052 PWs) bands (ev): -14.9294 -14.9294 -14.9277 -14.9277 -13.8972 -13.8972 -13.8879 -13.8879 -13.8870 -13.8870 -4.7972 -4.7972 0.6149 0.6149 2.9272 2.9272 3.0116 3.0116 6.2841 6.2841 8.9497 8.9497 11.4862 11.4862 11.6159 11.6159 14.6128 14.6128 k = 0.5000 0.0380 0.5587 ( 2046 PWs) bands (ev): -14.9295 -14.9295 -14.9277 -14.9277 -13.8972 -13.8972 -13.8879 -13.8879 -13.8871 -13.8871 -4.8016 -4.8016 0.5872 0.5872 2.9550 2.9550 3.0546 3.0546 6.2841 6.2841 8.9342 8.9342 11.4577 11.4577 11.6007 11.6007 14.6115 14.6115 k = 0.5000 0.0456 0.5479 ( 2050 PWs) bands (ev): -14.9295 -14.9295 -14.9276 -14.9276 -13.8971 -13.8971 -13.8879 -13.8879 -13.8871 -13.8871 -4.8070 -4.8070 0.5549 0.5549 2.9868 2.9868 3.1075 3.1075 6.2843 6.2843 8.9157 8.9157 11.4207 11.4207 11.5827 11.5827 14.6118 14.6118 k = 0.5000 0.0532 0.5372 ( 2052 PWs) bands (ev): -14.9296 -14.9296 -14.9276 -14.9276 -13.8970 -13.8970 -13.8879 -13.8879 -13.8872 -13.8872 -4.8131 -4.8131 0.5189 0.5189 3.0225 3.0225 3.1693 3.1693 6.2848 6.2848 8.8942 8.8942 11.3746 11.3746 11.5619 11.5619 14.6144 14.6144 k = 0.5000 0.0608 0.5264 ( 2056 PWs) bands (ev): -14.9296 -14.9296 -14.9275 -14.9275 -13.8970 -13.8970 -13.8880 -13.8880 -13.8872 -13.8872 -4.8201 -4.8201 0.4798 0.4798 3.0626 3.0626 3.2390 3.2390 6.2856 6.2856 8.8701 8.8701 11.3190 11.3190 11.5379 11.5379 14.6199 14.6199 k = 0.5000 0.0684 0.5157 ( 2054 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8969 -13.8969 -13.8880 -13.8880 -13.8872 -13.8872 -4.8279 -4.8279 0.4384 0.4384 3.1069 3.1069 3.3155 3.3155 6.2869 6.2869 8.8435 8.8435 11.2539 11.2539 11.5104 11.5104 14.6282 14.6282 k = 0.5000 0.0760 0.5049 ( 2054 PWs) bands (ev): -14.9297 -14.9297 -14.9274 -14.9274 -13.8968 -13.8968 -13.8881 -13.8881 -13.8872 -13.8872 -4.8363 -4.8363 0.3951 0.3951 3.1557 3.1557 3.3979 3.3979 6.2888 6.2888 8.8146 8.8146 11.1795 11.1795 11.4788 11.4788 14.6389 14.6389 k = 0.5000 0.0836 0.4942 ( 2054 PWs) bands (ev): -14.9298 -14.9298 -14.9273 -14.9273 -13.8967 -13.8967 -13.8882 -13.8882 -13.8872 -13.8872 -4.8454 -4.8454 0.3507 0.3507 3.2088 3.2088 3.4854 3.4854 6.2916 6.2916 8.7836 8.7836 11.0963 11.0963 11.4425 11.4425 14.6507 14.6507 k = 0.5000 0.0912 0.4835 ( 2052 PWs) bands (ev): -14.9299 -14.9299 -14.9273 -14.9273 -13.8966 -13.8966 -13.8882 -13.8882 -13.8872 -13.8872 -4.8550 -4.8550 0.3056 0.3056 3.2663 3.2663 3.5771 3.5771 6.2954 6.2954 8.7507 8.7507 11.0048 11.0048 11.4009 11.4009 14.6627 14.6627 k = 0.5000 0.0988 0.4727 ( 2044 PWs) bands (ev): -14.9300 -14.9300 -14.9272 -14.9272 -13.8965 -13.8965 -13.8883 -13.8883 -13.8872 -13.8872 -4.8650 -4.8650 0.2602 0.2602 3.3280 3.3280 3.6724 3.6724 6.3005 6.3005 8.7160 8.7160 10.9056 10.9056 11.3536 11.3536 14.6747 14.6747 k = 0.5000 0.1064 0.4620 ( 2044 PWs) bands (ev): -14.9301 -14.9301 -14.9271 -14.9271 -13.8965 -13.8965 -13.8884 -13.8884 -13.8871 -13.8871 -4.8755 -4.8755 0.2149 0.2149 3.3939 3.3939 3.7706 3.7706 6.3071 6.3071 8.6797 8.6797 10.7997 10.7997 11.3002 11.3002 14.6873 14.6873 k = 0.5000 0.1140 0.4512 ( 2042 PWs) bands (ev): -14.9301 -14.9301 -14.9270 -14.9270 -13.8964 -13.8964 -13.8886 -13.8886 -13.8870 -13.8870 -4.8863 -4.8863 0.1700 0.1700 3.4638 3.4638 3.8710 3.8710 6.3155 6.3155 8.6419 8.6419 10.6880 10.6880 11.2403 11.2403 14.7013 14.7013 k = 0.5000 0.1215 0.4405 ( 2042 PWs) bands (ev): -14.9302 -14.9302 -14.9269 -14.9269 -13.8963 -13.8963 -13.8887 -13.8887 -13.8870 -13.8870 -4.8974 -4.8974 0.1258 0.1258 3.5374 3.5374 3.9730 3.9730 6.3263 6.3263 8.6026 8.6026 10.5714 10.5714 11.1736 11.1736 14.7176 14.7176 k = 0.5000 0.1291 0.4297 ( 2044 PWs) bands (ev): -14.9303 -14.9303 -14.9269 -14.9269 -13.8963 -13.8963 -13.8888 -13.8888 -13.8869 -13.8869 -4.9086 -4.9086 0.0825 0.0825 3.6148 3.6148 4.0757 4.0757 6.3396 6.3396 8.5618 8.5618 10.4511 10.4511 11.1000 11.1000 14.7367 14.7367 k = 0.5000 0.1367 0.4190 ( 2036 PWs) bands (ev): -14.9304 -14.9304 -14.9268 -14.9268 -13.8963 -13.8963 -13.8888 -13.8888 -13.8868 -13.8868 -4.9199 -4.9199 0.0404 0.0404 3.6956 3.6956 4.1785 4.1785 6.3561 6.3561 8.5194 8.5194 10.3280 10.3280 11.0195 11.0195 14.7591 14.7591 k = 0.5000 0.1443 0.4082 ( 2036 PWs) bands (ev): -14.9305 -14.9305 -14.9267 -14.9267 -13.8963 -13.8963 -13.8889 -13.8889 -13.8867 -13.8867 -4.9312 -4.9312 -0.0004 -0.0004 3.7796 3.7796 4.2807 4.2807 6.3763 6.3763 8.4755 8.4755 10.2033 10.2033 10.9321 10.9321 14.7849 14.7849 k = 0.5000 0.1519 0.3975 ( 2034 PWs) bands (ev): -14.9306 -14.9306 -14.9266 -14.9266 -13.8963 -13.8963 -13.8890 -13.8890 -13.8865 -13.8865 -4.9424 -4.9424 -0.0397 -0.0397 3.8667 3.8667 4.3813 4.3813 6.4007 6.4007 8.4296 8.4296 10.0781 10.0781 10.8381 10.8381 14.8143 14.8143 k = 0.5000 0.1595 0.3868 ( 2034 PWs) bands (ev): -14.9306 -14.9306 -14.9265 -14.9265 -13.8964 -13.8964 -13.8891 -13.8891 -13.8864 -13.8864 -4.9535 -4.9535 -0.0774 -0.0774 3.9565 3.9565 4.4795 4.4795 6.4300 6.4300 8.3817 8.3817 9.9536 9.9536 10.7377 10.7377 14.8470 14.8470 k = 0.5000 0.1671 0.3760 ( 2032 PWs) bands (ev): -14.9307 -14.9307 -14.9265 -14.9265 -13.8964 -13.8964 -13.8891 -13.8891 -13.8862 -13.8862 -4.9643 -4.9643 -0.1133 -0.1133 4.0488 4.0488 4.5744 4.5744 6.4649 6.4649 8.3315 8.3315 9.8310 9.8310 10.6313 10.6313 14.8831 14.8831 k = 0.5000 0.1747 0.3653 ( 2030 PWs) bands (ev): -14.9308 -14.9308 -14.9264 -14.9264 -13.8965 -13.8965 -13.8892 -13.8892 -13.8861 -13.8861 -4.9749 -4.9749 -0.1475 -0.1475 4.1431 4.1431 4.6650 4.6650 6.5061 6.5061 8.2785 8.2785 9.7114 9.7114 10.5195 10.5195 14.9220 14.9220 k = 0.5000 0.1823 0.3545 ( 2034 PWs) bands (ev): -14.9309 -14.9309 -14.9263 -14.9263 -13.8966 -13.8966 -13.8893 -13.8893 -13.8859 -13.8859 -4.9852 -4.9852 -0.1798 -0.1798 4.2392 4.2392 4.7506 4.7506 6.5540 6.5540 8.2224 8.2224 9.5961 9.5961 10.4027 10.4027 14.9635 14.9635 k = 0.5000 0.1899 0.3438 ( 2036 PWs) bands (ev): -14.9310 -14.9310 -14.9263 -14.9263 -13.8967 -13.8967 -13.8893 -13.8893 -13.8858 -13.8858 -4.9950 -4.9950 -0.2101 -0.2101 4.3366 4.3366 4.8304 4.8304 6.6093 6.6093 8.1629 8.1629 9.4862 9.4862 10.2818 10.2818 15.0070 15.0070 k = 0.5000 0.1975 0.3330 ( 2034 PWs) bands (ev): -14.9310 -14.9310 -14.9262 -14.9262 -13.8967 -13.8967 -13.8893 -13.8893 -13.8856 -13.8856 -5.0043 -5.0043 -0.2383 -0.2383 4.4347 4.4347 4.9036 4.9036 6.6722 6.6722 8.0997 8.0997 9.3828 9.3828 10.1575 10.1575 15.0520 15.0520 k = 0.5000 0.2051 0.3223 ( 2036 PWs) bands (ev): -14.9311 -14.9311 -14.9261 -14.9261 -13.8968 -13.8968 -13.8894 -13.8894 -13.8855 -13.8855 -5.0131 -5.0131 -0.2645 -0.2645 4.5329 4.5329 4.9698 4.9698 6.7427 6.7427 8.0328 8.0328 9.2867 9.2867 10.0306 10.0306 15.0979 15.0979 k = 0.5000 0.2127 0.3116 ( 2034 PWs) bands (ev): -14.9312 -14.9312 -14.9261 -14.9261 -13.8969 -13.8969 -13.8894 -13.8894 -13.8853 -13.8853 -5.0213 -5.0213 -0.2885 -0.2885 4.6305 4.6305 5.0288 5.0288 6.8206 6.8206 7.9625 7.9625 9.1986 9.1986 9.9023 9.9023 15.1439 15.1439 k = 0.5000 0.2203 0.3008 ( 2040 PWs) bands (ev): -14.9312 -14.9312 -14.9260 -14.9260 -13.8970 -13.8970 -13.8894 -13.8894 -13.8852 -13.8852 -5.0289 -5.0289 -0.3104 -0.3104 4.7266 4.7266 5.0806 5.0806 6.9052 6.9052 7.8894 7.8894 9.1185 9.1185 9.7737 9.7737 15.1893 15.1893 k = 0.5000 0.2279 0.2901 ( 2044 PWs) bands (ev): -14.9313 -14.9313 -14.9260 -14.9260 -13.8971 -13.8971 -13.8894 -13.8894 -13.8851 -13.8851 -5.0358 -5.0358 -0.3300 -0.3300 4.8201 4.8201 5.1254 5.1254 6.9954 6.9954 7.8148 7.8148 9.0464 9.0464 9.6466 9.6466 15.2333 15.2333 k = 0.5000 0.2355 0.2793 ( 2044 PWs) bands (ev): -14.9313 -14.9313 -14.9259 -14.9259 -13.8972 -13.8972 -13.8895 -13.8895 -13.8849 -13.8849 -5.0419 -5.0419 -0.3474 -0.3474 4.9096 4.9096 5.1636 5.1636 7.0896 7.0896 7.7402 7.7402 8.9814 8.9814 9.5229 9.5229 15.2749 15.2749 k = 0.5000 0.2431 0.2686 ( 2038 PWs) bands (ev): -14.9314 -14.9314 -14.9259 -14.9259 -13.8973 -13.8973 -13.8895 -13.8895 -13.8848 -13.8848 -5.0473 -5.0473 -0.3625 -0.3625 4.9937 4.9937 5.1957 5.1957 7.1855 7.1855 7.6681 7.6681 8.9224 8.9224 9.4053 9.4053 15.3133 15.3133 k = 0.5000 0.2507 0.2578 ( 2036 PWs) bands (ev): -14.9314 -14.9314 -14.9259 -14.9259 -13.8974 -13.8974 -13.8895 -13.8895 -13.8847 -13.8847 -5.0520 -5.0520 -0.3753 -0.3753 5.0701 5.0701 5.2224 5.2224 7.2798 7.2798 7.6017 7.6017 8.8676 8.8676 9.2975 9.2975 15.3477 15.3477 k = 0.5000 0.2583 0.2471 ( 2040 PWs) bands (ev): -14.9314 -14.9314 -14.9258 -14.9258 -13.8974 -13.8974 -13.8895 -13.8895 -13.8846 -13.8846 -5.0558 -5.0558 -0.3858 -0.3858 5.1365 5.1365 5.2443 5.2443 7.3655 7.3655 7.5468 7.5468 8.8155 8.8155 9.2040 9.2040 15.3772 15.3772 k = 0.5000 0.2659 0.2364 ( 2042 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8846 -13.8846 -5.0588 -5.0588 -0.3940 -0.3940 5.1898 5.1898 5.2628 5.2628 7.4202 7.4202 7.5243 7.5243 8.7657 8.7657 9.1291 9.1291 15.4010 15.4010 k = 0.5000 0.2735 0.2256 ( 2040 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0610 -5.0610 -0.3999 -0.3999 5.2266 5.2266 5.2793 5.2793 7.4154 7.4154 7.5585 7.5585 8.7212 8.7212 9.0759 9.0759 15.4186 15.4186 k = 0.5000 0.2811 0.2149 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0623 -5.0623 -0.4034 -0.4034 5.2459 5.2459 5.2928 5.2928 7.3979 7.3979 7.5976 7.5976 8.6889 8.6889 9.0448 9.0448 15.4293 15.4293 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0627 -5.0627 -0.4046 -0.4046 5.2515 5.2515 5.2983 5.2983 7.3909 7.3909 7.6126 7.6126 8.6770 8.6770 9.0346 9.0346 15.4329 15.4329 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0627 -5.0627 -0.4046 -0.4046 5.2515 5.2515 5.2983 5.2983 7.3909 7.3909 7.6126 7.6126 8.6770 8.6770 9.0346 9.0346 15.4329 15.4329 k = 0.4962 0.2865 0.2165 ( 2036 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0623 -5.0623 -0.4034 -0.4034 5.2459 5.2459 5.2928 5.2928 7.3978 7.3978 7.5977 7.5977 8.6889 8.6889 9.0447 9.0447 15.4293 15.4293 k = 0.4924 0.2843 0.2289 ( 2039 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8845 -13.8845 -5.0610 -5.0610 -0.3999 -0.3999 5.2267 5.2267 5.2794 5.2794 7.4152 7.4152 7.5589 7.5589 8.7209 8.7209 9.0757 9.0757 15.4186 15.4186 k = 0.4886 0.2821 0.2412 ( 2043 PWs) bands (ev): -14.9315 -14.9315 -14.9258 -14.9258 -13.8975 -13.8975 -13.8895 -13.8895 -13.8846 -13.8846 -5.0588 -5.0588 -0.3941 -0.3941 5.1898 5.1898 5.2634 5.2634 7.4185 7.4185 7.5263 7.5263 8.7650 8.7650 9.1287 9.1287 15.4012 15.4012 k = 0.4848 0.2799 0.2536 ( 2042 PWs) bands (ev): -14.9314 -14.9314 -14.9258 -14.9258 -13.8974 -13.8974 -13.8895 -13.8895 -13.8846 -13.8846 -5.0559 -5.0559 -0.3859 -0.3859 5.1358 5.1358 5.2462 5.2462 7.3611 7.3611 7.5520 7.5520 8.8137 8.8137 9.2036 9.2036 15.3773 15.3773 k = 0.4811 0.2777 0.2660 ( 2040 PWs) bands (ev): -14.9314 -14.9314 -14.9259 -14.9259 -13.8974 -13.8974 -13.8895 -13.8895 -13.8847 -13.8847 -5.0520 -5.0520 -0.3755 -0.3755 5.0679 5.0679 5.2267 5.2267 7.2713 7.2713 7.6117 7.6117 8.8633 8.8633 9.2977 9.2977 15.3475 15.3475 k = 0.4773 0.2756 0.2784 ( 2042 PWs) bands (ev): -14.9314 -14.9314 -14.9259 -14.9259 -13.8973 -13.8973 -13.8895 -13.8895 -13.8848 -13.8848 -5.0474 -5.0474 -0.3627 -0.3627 4.9888 4.9888 5.2046 5.2046 7.1706 7.1706 7.6862 7.6862 8.9132 8.9132 9.4068 9.4068 15.3122 15.3122 k = 0.4735 0.2734 0.2907 ( 2042 PWs) bands (ev): -14.9313 -14.9313 -14.9259 -14.9259 -13.8972 -13.8972 -13.8895 -13.8895 -13.8849 -13.8849 -5.0420 -5.0420 -0.3477 -0.3477 4.9008 4.9008 5.1796 5.1796 7.0650 7.0650 7.7703 7.7703 8.9644 8.9644 9.5265 9.5265 15.2715 15.2715 k = 0.4697 0.2712 0.3031 ( 2037 PWs) bands (ev): -14.9313 -14.9313 -14.9260 -14.9260 -13.8971 -13.8971 -13.8894 -13.8894 -13.8850 -13.8850 -5.0359 -5.0359 -0.3304 -0.3304 4.8057 4.8057 5.1519 5.1519 6.9573 6.9573 7.8618 7.8618 9.0177 9.0177 9.6533 9.6533 15.2257 15.2257 k = 0.4659 0.2690 0.3155 ( 2035 PWs) bands (ev): -14.9312 -14.9312 -14.9260 -14.9260 -13.8970 -13.8970 -13.8894 -13.8894 -13.8852 -13.8852 -5.0290 -5.0290 -0.3109 -0.3109 4.7051 4.7051 5.1218 5.1218 6.8492 6.8492 7.9589 7.9589 9.0737 9.0737 9.7844 9.7844 15.1745 15.1745 k = 0.4621 0.2668 0.3278 ( 2039 PWs) bands (ev): -14.9312 -14.9312 -14.9261 -14.9261 -13.8969 -13.8969 -13.8894 -13.8894 -13.8853 -13.8853 -5.0215 -5.0215 -0.2892 -0.2892 4.6002 4.6002 5.0895 5.0895 6.7417 6.7417 8.0604 8.0604 9.1327 9.1327 9.9177 9.9177 15.1176 15.1176 k = 0.4583 0.2646 0.3402 ( 2040 PWs) bands (ev): -14.9311 -14.9311 -14.9261 -14.9261 -13.8968 -13.8968 -13.8894 -13.8894 -13.8855 -13.8855 -5.0134 -5.0134 -0.2653 -0.2653 4.4922 4.4922 5.0553 5.0553 6.6355 6.6355 8.1652 8.1652 9.1947 9.1947 10.0516 10.0516 15.0547 15.0547 k = 0.4545 0.2624 0.3526 ( 2040 PWs) bands (ev): -14.9310 -14.9310 -14.9262 -14.9262 -13.8967 -13.8967 -13.8894 -13.8894 -13.8856 -13.8856 -5.0046 -5.0046 -0.2393 -0.2393 4.3819 4.3819 5.0194 5.0194 6.5312 6.5312 8.2724 8.2724 9.2596 9.2596 10.1849 10.1849 14.9853 14.9853 k = 0.4508 0.2602 0.3649 ( 2036 PWs) bands (ev): -14.9310 -14.9310 -14.9263 -14.9263 -13.8966 -13.8966 -13.8894 -13.8894 -13.8857 -13.8857 -4.9954 -4.9954 -0.2112 -0.2112 4.2701 4.2701 4.9823 4.9823 6.4291 6.4291 8.3815 8.3815 9.3272 9.3272 10.3164 10.3164 14.9094 14.9094 k = 0.4470 0.2581 0.3773 ( 2046 PWs) bands (ev): -14.9309 -14.9309 -14.9263 -14.9263 -13.8965 -13.8965 -13.8894 -13.8894 -13.8858 -13.8858 -4.9856 -4.9856 -0.1810 -0.1810 4.1576 4.1576 4.9440 4.9440 6.3293 6.3293 8.4916 8.4916 9.3974 9.3974 10.4453 10.4453 14.8267 14.8267 k = 0.4432 0.2559 0.3897 ( 2044 PWs) bands (ev): -14.9308 -14.9308 -14.9264 -14.9264 -13.8965 -13.8965 -13.8894 -13.8894 -13.8860 -13.8860 -4.9755 -4.9755 -0.1490 -0.1490 4.0449 4.0449 4.9050 4.9050 6.2321 6.2321 8.6024 8.6024 9.4697 9.4697 10.5707 10.5707 14.7378 14.7378 k = 0.4394 0.2537 0.4021 ( 2048 PWs) bands (ev): -14.9307 -14.9307 -14.9265 -14.9265 -13.8964 -13.8964 -13.8894 -13.8894 -13.8860 -13.8860 -4.9650 -4.9650 -0.1150 -0.1150 3.9327 3.9327 4.8654 4.8654 6.1375 6.1375 8.7132 8.7132 9.5440 9.5440 10.6921 10.6921 14.6433 14.6433 k = 0.4356 0.2515 0.4144 ( 2048 PWs) bands (ev): -14.9307 -14.9307 -14.9265 -14.9265 -13.8963 -13.8963 -13.8894 -13.8894 -13.8861 -13.8861 -4.9543 -4.9543 -0.0792 -0.0792 3.8214 3.8214 4.8255 4.8255 6.0457 6.0457 8.8237 8.8237 9.6198 9.6198 10.8087 10.8087 14.5440 14.5440 k = 0.4318 0.2493 0.4268 ( 2044 PWs) bands (ev): -14.9306 -14.9306 -14.9266 -14.9266 -13.8963 -13.8963 -13.8895 -13.8895 -13.8861 -13.8861 -4.9434 -4.9434 -0.0418 -0.0418 3.7117 3.7117 4.7855 4.7855 5.9566 5.9566 8.9333 8.9333 9.6970 9.6970 10.9202 10.9202 14.4409 14.4409 k = 0.4280 0.2471 0.4392 ( 2042 PWs) bands (ev): -14.9305 -14.9305 -14.9267 -14.9267 -13.8962 -13.8962 -13.8896 -13.8896 -13.8861 -13.8861 -4.9324 -4.9324 -0.0028 -0.0028 3.6039 3.6039 4.7457 4.7457 5.8703 5.8703 9.0417 9.0417 9.7750 9.7750 11.0262 11.0262 14.3350 14.3350 k = 0.4242 0.2449 0.4515 ( 2044 PWs) bands (ev): -14.9304 -14.9304 -14.9268 -14.9268 -13.8962 -13.8962 -13.8897 -13.8897 -13.8860 -13.8860 -4.9213 -4.9213 0.0377 0.0377 3.4985 3.4985 4.7061 4.7061 5.7868 5.7868 9.1484 9.1484 9.8538 9.8538 11.1264 11.1264 14.2271 14.2271 k = 0.4205 0.2427 0.4639 ( 2046 PWs) bands (ev): -14.9303 -14.9303 -14.9268 -14.9268 -13.8962 -13.8962 -13.8899 -13.8899 -13.8859 -13.8859 -4.9103 -4.9103 0.0795 0.0795 3.3960 3.3960 4.6669 4.6669 5.7060 5.7060 9.2530 9.2530 9.9328 9.9328 11.2208 11.2208 14.1182 14.1182 k = 0.4167 0.2406 0.4763 ( 2054 PWs) bands (ev): -14.9303 -14.9303 -14.9269 -14.9269 -13.8962 -13.8962 -13.8900 -13.8900 -13.8858 -13.8858 -4.8995 -4.8995 0.1224 0.1224 3.2968 3.2968 4.6283 4.6283 5.6280 5.6280 9.3552 9.3552 10.0119 10.0119 11.3093 11.3093 14.0089 14.0089 k = 0.4129 0.2384 0.4887 ( 2050 PWs) bands (ev): -14.9302 -14.9302 -14.9270 -14.9270 -13.8962 -13.8962 -13.8902 -13.8902 -13.8857 -13.8857 -4.8889 -4.8889 0.1661 0.1661 3.2014 3.2014 4.5905 4.5905 5.5527 5.5527 9.4544 9.4544 10.0907 10.0907 11.3919 11.3919 13.9000 13.9000 k = 0.4091 0.2362 0.5010 ( 2058 PWs) bands (ev): -14.9301 -14.9301 -14.9271 -14.9271 -13.8962 -13.8962 -13.8904 -13.8904 -13.8855 -13.8855 -4.8787 -4.8787 0.2106 0.2106 3.1104 3.1104 4.5535 4.5535 5.4801 5.4801 9.5505 9.5505 10.1689 10.1689 11.4688 11.4688 13.7919 13.7919 k = 0.4053 0.2340 0.5134 ( 2060 PWs) bands (ev): -14.9300 -14.9300 -14.9271 -14.9271 -13.8962 -13.8962 -13.8905 -13.8905 -13.8853 -13.8853 -4.8689 -4.8689 0.2554 0.2554 3.0241 3.0241 4.5176 4.5176 5.4102 5.4102 9.6430 9.6430 10.2461 10.2461 11.5401 11.5401 13.6852 13.6852 k = 0.4015 0.2318 0.5258 ( 2058 PWs) bands (ev): -14.9300 -14.9300 -14.9272 -14.9272 -13.8963 -13.8963 -13.8907 -13.8907 -13.8851 -13.8851 -4.8597 -4.8597 0.3003 0.3003 2.9432 2.9432 4.4827 4.4827 5.3429 5.3429 9.7317 9.7317 10.3222 10.3222 11.6061 11.6061 13.5803 13.5803 k = 0.3977 0.2296 0.5381 ( 2057 PWs) bands (ev): -14.9299 -14.9299 -14.9273 -14.9273 -13.8963 -13.8963 -13.8909 -13.8909 -13.8849 -13.8849 -4.8511 -4.8511 0.3449 0.3449 2.8681 2.8681 4.4490 4.4490 5.2782 5.2782 9.8162 9.8162 10.3968 10.3968 11.6667 11.6667 13.4776 13.4776 k = 0.3939 0.2274 0.5505 ( 2061 PWs) bands (ev): -14.9299 -14.9299 -14.9273 -14.9273 -13.8964 -13.8964 -13.8911 -13.8911 -13.8846 -13.8846 -4.8433 -4.8433 0.3888 0.3888 2.7995 2.7995 4.4166 4.4166 5.2161 5.2161 9.8963 9.8963 10.4697 10.4697 11.7221 11.7221 13.3775 13.3775 k = 0.3902 0.2253 0.5629 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9274 -14.9274 -13.8964 -13.8964 -13.8913 -13.8913 -13.8844 -13.8844 -4.8363 -4.8363 0.4315 0.4315 2.7379 2.7379 4.3855 4.3855 5.1565 5.1565 9.9719 9.9719 10.5406 10.5406 11.7723 11.7723 13.2803 13.2803 k = 0.3864 0.2231 0.5753 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9274 -14.9274 -13.8965 -13.8965 -13.8915 -13.8915 -13.8842 -13.8842 -4.8302 -4.8302 0.4727 0.4727 2.6840 2.6840 4.3558 4.3558 5.0995 5.0995 10.0429 10.0429 10.6093 10.6093 11.8170 11.8170 13.1864 13.1864 k = 0.3826 0.2209 0.5876 ( 2057 PWs) bands (ev): -14.9298 -14.9298 -14.9275 -14.9275 -13.8966 -13.8966 -13.8916 -13.8916 -13.8839 -13.8839 -4.8252 -4.8252 0.5118 0.5118 2.6384 2.6384 4.3276 4.3276 5.0449 5.0449 10.1091 10.1091 10.6758 10.6758 11.8561 11.8561 13.0962 13.0962 k = 0.3788 0.2187 0.6000 ( 2055 PWs) bands (ev): -14.9298 -14.9298 -14.9275 -14.9275 -13.8967 -13.8967 -13.8918 -13.8918 -13.8837 -13.8837 -4.8214 -4.8214 0.5483 0.5483 2.6017 2.6017 4.3010 4.3010 4.9928 4.9928 10.1705 10.1705 10.7398 10.7398 11.8889 11.8889 13.0102 13.0102 k = 0.3750 0.2165 0.6124 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8188 -4.8188 0.5817 0.5817 2.5745 2.5745 4.2759 4.2759 4.9432 4.9432 10.2273 10.2273 10.8012 10.8012 11.9149 11.9149 12.9287 12.9287 k = 0.6250-0.0722 0.4082 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9275 -14.9275 -13.8967 -13.8967 -13.8920 -13.8920 -13.8835 -13.8835 -4.8188 -4.8188 0.5817 0.5817 2.5745 2.5745 4.2759 4.2759 4.9432 4.9432 10.2273 10.2273 10.8012 10.8012 11.9149 11.9149 12.9287 12.9287 k = 0.6184-0.0836 0.4082 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9276 -14.9276 -13.8969 -13.8969 -13.8923 -13.8923 -13.8832 -13.8832 -4.8158 -4.8158 0.6381 0.6381 2.5365 2.5365 4.2345 4.2345 4.8597 4.8597 10.3199 10.3199 10.9055 10.9055 11.9531 11.9531 12.7970 12.7970 k = 0.6118-0.0950 0.4082 ( 2057 PWs) bands (ev): -14.9297 -14.9297 -14.9276 -14.9276 -13.8970 -13.8970 -13.8925 -13.8925 -13.8828 -13.8828 -4.8135 -4.8135 0.6965 0.6965 2.5004 2.5004 4.1949 4.1949 4.7776 4.7776 10.4080 10.4080 11.0087 11.0087 11.9899 11.9899 12.6768 12.6768 k = 0.6053-0.1064 0.4082 ( 2057 PWs) bands (ev): -14.9297 -14.9297 -14.9277 -14.9277 -13.8972 -13.8972 -13.8928 -13.8928 -13.8825 -13.8825 -4.8120 -4.8120 0.7566 0.7566 2.4662 2.4662 4.1570 4.1570 4.6970 4.6970 10.4903 10.4903 11.1100 11.1100 12.0250 12.0250 12.5696 12.5696 k = 0.5987-0.1177 0.4082 ( 2057 PWs) bands (ev): -14.9297 -14.9297 -14.9277 -14.9277 -13.8973 -13.8973 -13.8930 -13.8930 -13.8822 -13.8822 -4.8111 -4.8111 0.8180 0.8180 2.4339 2.4339 4.1209 4.1209 4.6181 4.6181 10.5656 10.5656 11.2087 11.2087 12.0577 12.0577 12.4772 12.4772 k = 0.5921-0.1291 0.4082 ( 2065 PWs) bands (ev): -14.9297 -14.9297 -14.9278 -14.9278 -13.8974 -13.8974 -13.8932 -13.8932 -13.8818 -13.8818 -4.8107 -4.8107 0.8803 0.8803 2.4035 2.4035 4.0867 4.0867 4.5410 4.5410 10.6325 10.6325 11.3036 11.3036 12.0874 12.0874 12.4019 12.4019 k = 0.5855-0.1405 0.4082 ( 2061 PWs) bands (ev): -14.9297 -14.9297 -14.9278 -14.9278 -13.8976 -13.8976 -13.8935 -13.8935 -13.8816 -13.8816 -4.8107 -4.8107 0.9429 0.9429 2.3750 2.3750 4.0543 4.0543 4.4661 4.4661 10.6895 10.6895 11.3937 11.3937 12.1129 12.1129 12.3464 12.3464 k = 0.5789-0.1519 0.4082 ( 2060 PWs) bands (ev): -14.9297 -14.9297 -14.9278 -14.9278 -13.8977 -13.8977 -13.8937 -13.8937 -13.8813 -13.8813 -4.8111 -4.8111 1.0053 1.0053 2.3486 2.3486 4.0239 4.0239 4.3936 4.3936 10.7354 10.7354 11.4777 11.4777 12.1337 12.1337 12.3127 12.3127 k = 0.5724-0.1633 0.4082 ( 2052 PWs) bands (ev): -14.9297 -14.9297 -14.9279 -14.9279 -13.8979 -13.8979 -13.8938 -13.8938 -13.8810 -13.8810 -4.8117 -4.8117 1.0670 1.0670 2.3242 2.3242 3.9953 3.9953 4.3241 4.3241 10.7692 10.7692 11.5544 11.5544 12.1511 12.1511 12.3002 12.3002 k = 0.5658-0.1747 0.4082 ( 2062 PWs) bands (ev): -14.9297 -14.9297 -14.9279 -14.9279 -13.8980 -13.8980 -13.8940 -13.8940 -13.8808 -13.8808 -4.8126 -4.8126 1.1274 1.1274 2.3018 2.3018 3.9685 3.9685 4.2579 4.2579 10.7911 10.7911 11.6230 11.6230 12.1699 12.1699 12.3037 12.3037 k = 0.5592-0.1861 0.4082 ( 2062 PWs) bands (ev): -14.9298 -14.9298 -14.9279 -14.9279 -13.8981 -13.8981 -13.8941 -13.8941 -13.8805 -13.8805 -4.8136 -4.8136 1.1857 1.1857 2.2815 2.2815 3.9435 3.9435 4.1957 4.1957 10.8018 10.8018 11.6834 11.6834 12.1948 12.1948 12.3163 12.3163 k = 0.5526-0.1975 0.4082 ( 2062 PWs) bands (ev): -14.9298 -14.9298 -14.9279 -14.9279 -13.8983 -13.8983 -13.8943 -13.8943 -13.8803 -13.8803 -4.8146 -4.8146 1.2412 1.2412 2.2632 2.2632 3.9200 3.9200 4.1383 4.1383 10.8032 10.8032 11.7361 11.7361 12.2270 12.2270 12.3330 12.3330 k = 0.5461-0.2089 0.4082 ( 2068 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8984 -13.8984 -13.8944 -13.8944 -13.8802 -13.8802 -4.8157 -4.8157 1.2932 1.2932 2.2471 2.2471 3.8979 3.8979 4.0864 4.0864 10.7975 10.7975 11.7820 11.7820 12.2649 12.2649 12.3509 12.3509 k = 0.5395-0.2203 0.4082 ( 2060 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8985 -13.8985 -13.8945 -13.8945 -13.8800 -13.8800 -4.8167 -4.8167 1.3407 1.3407 2.2331 2.2331 3.8769 3.8769 4.0410 4.0410 10.7873 10.7873 11.8216 11.8216 12.3050 12.3050 12.3685 12.3685 k = 0.5329-0.2317 0.4082 ( 2056 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8986 -13.8986 -13.8945 -13.8945 -13.8799 -13.8799 -4.8176 -4.8176 1.3829 1.3829 2.2212 2.2212 3.8571 3.8571 4.0030 4.0030 10.7750 10.7750 11.8555 11.8555 12.3440 12.3440 12.3851 12.3851 k = 0.5263-0.2431 0.4082 ( 2052 PWs) bands (ev): -14.9298 -14.9298 -14.9280 -14.9280 -13.8987 -13.8987 -13.8946 -13.8946 -13.8798 -13.8798 -4.8185 -4.8185 1.4189 1.4189 2.2115 2.2115 3.8385 3.8385 3.9728 3.9728 10.7623 10.7623 11.8837 11.8837 12.3779 12.3779 12.4011 12.4011 k = 0.5197-0.2545 0.4082 ( 2052 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8987 -13.8987 -13.8946 -13.8946 -13.8797 -13.8797 -4.8191 -4.8191 1.4480 1.4480 2.2039 2.2039 3.8221 3.8221 3.9503 3.9503 10.7510 10.7510 11.9060 11.9060 12.4009 12.4009 12.4196 12.4196 k = 0.5132-0.2659 0.4082 ( 2048 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8196 -4.8196 1.4693 1.4693 2.1985 2.1985 3.8091 3.8091 3.9351 3.9351 10.7421 10.7421 11.9221 11.9221 12.4126 12.4126 12.4390 12.4390 k = 0.5066-0.2773 0.4082 ( 2044 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8199 -4.8199 1.4823 1.4823 2.1952 2.1952 3.8007 3.8007 3.9263 3.9263 10.7365 10.7365 11.9318 11.9318 12.4186 12.4186 12.4522 12.4522 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -14.9299 -14.9299 -14.9280 -14.9280 -13.8988 -13.8988 -13.8947 -13.8947 -13.8796 -13.8796 -4.8200 -4.8200 1.4867 1.4867 2.1941 2.1941 3.7978 3.7978 3.9235 3.9235 10.7346 10.7346 11.9351 11.9351 12.4206 12.4206 12.4568 12.4568 Writing output data file SnS.save init_run : 0.14s CPU 0.28s WALL ( 1 calls) electrons : 42.26s CPU 43.29s 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 : 42.26s CPU 43.29s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 353 calls) cegterg : 38.46s CPU 39.19s WALL ( 397 calls) Called by sum_band: Called by *egterg: h_psi : 16.80s CPU 17.27s WALL ( 6349 calls) s_psi : 0.82s CPU 0.83s WALL ( 6349 calls) g_psi : 0.06s CPU 0.05s WALL ( 5599 calls) cdiaghg : 20.27s CPU 20.55s WALL ( 5952 calls) cegterg:over : 1.00s CPU 1.15s WALL ( 5599 calls) cegterg:upda : 0.85s CPU 0.89s WALL ( 5599 calls) cegterg:last : 0.36s CPU 0.38s WALL ( 850 calls) cdiaghg:chol : 1.08s CPU 1.03s WALL ( 5952 calls) cdiaghg:inve : 0.52s CPU 0.51s WALL ( 5952 calls) cdiaghg:para : 1.32s CPU 1.21s WALL ( 11904 calls) Called by h_psi: h_psi:vloc : 14.96s CPU 15.42s WALL ( 6349 calls) h_psi:vnl : 1.81s CPU 1.83s WALL ( 6349 calls) add_vuspsi : 1.02s CPU 1.05s WALL ( 6349 calls) General routines calbec : 0.76s CPU 0.76s WALL ( 6349 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.86s CPU 14.32s WALL ( 326160 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.09s WALL ( 706 calls) Parallel routines fft_scatter : 6.98s CPU 7.26s WALL ( 326183 calls) PWSCF : 0m50.40s CPU 1m 3.94s WALL This run was terminated on: 21:17:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=