Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5:11 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: ./PbS.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 25 22 6 503 415 66 Max 26 23 7 507 425 69 Sum 913 805 241 18149 15089 2445 bravais-lattice index = 14 lattice parameter (alat) = 7.9029 a.u. unit-cell volume = 349.0170 (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 = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.902913 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 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 1281 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) Pb 14.00 207.20000 Pb( 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= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028090 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028090 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028090 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028090 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028090 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028090 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028090 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028090 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028090 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028090 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028090 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028090 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028090 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028090 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028090 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028090 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028090 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028090 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028090 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028090 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028090 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028090 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028090 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028090 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028090 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028090 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028090 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028090 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028090 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028090 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028090 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028090 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028090 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028090 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028090 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028090 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028090 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028090 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028090 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028090 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028090 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028090 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028090 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028090 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028090 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028090 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028090 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028090 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028090 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028090 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028090 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028090 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028090 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028090 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028090 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028090 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028090 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028090 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028090 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028090 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028090 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028090 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028090 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028090 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028090 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028090 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028090 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028090 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028090 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028090 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028090 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028090 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028090 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028090 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028090 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028090 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028090 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028090 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028090 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028090 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028090 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028090 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028090 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028090 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028090 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028090 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028090 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028090 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028090 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028090 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028090 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028090 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028090 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028090 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028090 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028090 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028090 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028090 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028090 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028090 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028090 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028090 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028090 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028090 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028090 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028090 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028090 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028090 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028090 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028090 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028090 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028090 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028090 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028090 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028090 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028090 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028090 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028090 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028090 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028090 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028090 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028090 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028090 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028090 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028090 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028090 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028090 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028090 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028090 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028090 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028090 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028090 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028090 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028090 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028090 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0028090 k( 164) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0028090 k( 165) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0028090 k( 166) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0028090 k( 167) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0028090 k( 168) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0028090 k( 169) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0028090 k( 170) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0028090 k( 171) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0028090 k( 172) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0028090 k( 173) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0028090 k( 174) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0028090 k( 175) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0028090 k( 176) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0028090 k( 177) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0028090 k( 178) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0028090 k( 179) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0028090 k( 180) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0028090 k( 181) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0028090 k( 182) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0028090 k( 183) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0028090 k( 184) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0028090 k( 185) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0028090 k( 186) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0028090 k( 187) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0028090 k( 188) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0028090 k( 189) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0028090 k( 190) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0028090 k( 191) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0028090 k( 192) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0028090 k( 193) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0028090 k( 194) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0028090 k( 195) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0028090 k( 196) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0028090 k( 197) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0028090 k( 198) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0028090 k( 199) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0028090 k( 200) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0028090 k( 201) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0028090 k( 202) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0028090 k( 203) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0028090 k( 204) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0028090 k( 205) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0028090 k( 206) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0028090 k( 207) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0028090 k( 208) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0028090 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 211) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028090 k( 212) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028090 k( 213) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028090 k( 214) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028090 k( 215) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028090 k( 216) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028090 k( 217) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028090 k( 218) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028090 k( 219) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028090 k( 220) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028090 k( 221) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028090 k( 222) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028090 k( 223) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028090 k( 224) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028090 k( 225) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028090 k( 226) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028090 k( 227) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028090 k( 228) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028090 k( 229) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028090 k( 230) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028090 k( 231) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028090 k( 232) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028090 k( 233) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028090 k( 234) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028090 k( 235) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028090 k( 236) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028090 k( 237) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028090 k( 238) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028090 k( 239) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028090 k( 240) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028090 k( 241) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028090 k( 242) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028090 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 245) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028090 k( 246) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028090 k( 247) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028090 k( 248) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028090 k( 249) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028090 k( 250) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028090 k( 251) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028090 k( 252) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028090 k( 253) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028090 k( 254) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028090 k( 255) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028090 k( 256) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028090 k( 257) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028090 k( 258) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028090 k( 259) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028090 k( 260) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028090 k( 261) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028090 k( 262) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028090 k( 263) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 264) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 265) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028090 k( 266) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028090 k( 267) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028090 k( 268) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028090 k( 269) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028090 k( 270) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028090 k( 271) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028090 k( 272) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028090 k( 273) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028090 k( 274) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028090 k( 275) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028090 k( 276) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028090 k( 277) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028090 k( 278) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028090 k( 279) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028090 k( 280) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028090 k( 281) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028090 k( 282) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028090 k( 283) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028090 k( 284) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028090 k( 285) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028090 k( 286) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028090 k( 287) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028090 k( 288) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028090 k( 289) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028090 k( 290) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028090 k( 291) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028090 k( 292) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028090 k( 293) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028090 k( 294) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028090 k( 295) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028090 k( 296) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028090 k( 297) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028090 k( 298) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028090 k( 299) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028090 k( 300) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028090 k( 301) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028090 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 303) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 304) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028090 k( 305) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028090 k( 306) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028090 k( 307) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028090 k( 308) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028090 k( 309) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028090 k( 310) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028090 k( 311) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028090 k( 312) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028090 k( 313) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028090 k( 314) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028090 k( 315) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028090 k( 316) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028090 k( 317) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028090 k( 318) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028090 k( 319) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028090 k( 320) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028090 k( 321) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028090 k( 322) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028090 k( 323) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028090 k( 324) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028090 k( 325) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028090 k( 326) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028090 k( 327) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028090 k( 328) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028090 k( 329) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028090 k( 330) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028090 k( 331) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028090 k( 332) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028090 k( 333) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028090 k( 334) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028090 k( 335) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028090 k( 336) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 338) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028090 k( 339) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028090 k( 340) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028090 k( 341) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028090 k( 342) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028090 k( 343) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028090 k( 344) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028090 k( 345) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028090 k( 346) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028090 k( 347) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028090 k( 348) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028090 k( 349) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028090 k( 350) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028090 k( 351) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028090 k( 352) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028090 k( 353) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028090 k( 354) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028090 k( 355) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028090 k( 356) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0000000 0.0092593), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0000000 0.0648148), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0000000 0.1018518), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0000000 0.1203704), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0000000 0.1574074), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0028090 k( 20) = ( 0.1759259 -0.0000000 0.1759259), wk = 0.0028090 k( 21) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0028090 k( 22) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0028090 k( 23) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0028090 k( 24) = ( 0.2129630 -0.0000000 0.2129630), wk = 0.0028090 k( 25) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0028090 k( 26) = ( 0.2314815 -0.0000000 0.2314815), wk = 0.0028090 k( 27) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0028090 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028090 k( 29) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0028090 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0028090 k( 31) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0028090 k( 32) = ( 0.2870370 0.0000000 0.2870370), wk = 0.0028090 k( 33) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0028090 k( 34) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0028090 k( 35) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0028090 k( 36) = ( 0.3240741 -0.0000000 0.3240741), wk = 0.0028090 k( 37) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0028090 k( 38) = ( 0.3425926 -0.0000000 0.3425926), wk = 0.0028090 k( 39) = ( 0.3518519 -0.0000000 0.3518519), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 -0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 -0.0000000 0.3981481), wk = 0.0028090 k( 45) = ( 0.4074074 -0.0000000 0.4074074), wk = 0.0028090 k( 46) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0028090 k( 47) = ( 0.4259259 -0.0000000 0.4259259), wk = 0.0028090 k( 48) = ( 0.4351852 -0.0000000 0.4351852), wk = 0.0028090 k( 49) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0028090 k( 50) = ( 0.4537037 -0.0000000 0.4537037), wk = 0.0028090 k( 51) = ( 0.4629630 -0.0000000 0.4629630), wk = 0.0028090 k( 52) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0028090 k( 53) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0028090 k( 54) = ( 0.4907407 -0.0000000 0.4907407), wk = 0.0028090 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028090 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028090 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028090 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028090 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028090 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028090 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028090 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028090 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028090 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028090 k( 67) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028090 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028090 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028090 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028090 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028090 k( 72) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0028090 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028090 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028090 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028090 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028090 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028090 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028090 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028090 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028090 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028090 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028090 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028090 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028090 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028090 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028090 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028090 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028090 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028090 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028090 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028090 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028090 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028090 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028090 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028090 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028090 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028090 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028090 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028090 k( 102) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028090 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 105) = ( 0.3684211 0.3684211 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028090 k( 133) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028090 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028090 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028090 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028090 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028090 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028090 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028090 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028090 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028090 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028090 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028090 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028090 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028090 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028090 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028090 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028090 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028090 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028090 k( 151) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028090 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028090 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028090 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028090 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028090 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028090 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028090 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028090 k( 160) = ( 0.0065790 0.0065790 0.0131579), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0028090 k( 164) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0028090 k( 165) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0028090 k( 166) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0028090 k( 167) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0028090 k( 168) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0028090 k( 169) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0028090 k( 170) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0028090 k( 171) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0028090 k( 172) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0028090 k( 173) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0028090 k( 174) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0028090 k( 175) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0028090 k( 176) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0028090 k( 177) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0028090 k( 178) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0028090 k( 179) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0028090 k( 180) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0028090 k( 181) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0028090 k( 182) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0028090 k( 183) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0028090 k( 184) = ( 0.2340425 0.2340426 0.2340425), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0028090 k( 186) = ( 0.2553191 0.2553192 0.2553191), wk = 0.0028090 k( 187) = ( 0.2659574 0.2659575 0.2659574), wk = 0.0028090 k( 188) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0028090 k( 189) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0028090 k( 190) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0028090 k( 191) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0028090 k( 192) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0028090 k( 193) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0028090 k( 194) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0028090 k( 195) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0028090 k( 196) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0028090 k( 197) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0028090 k( 198) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0028090 k( 199) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0028090 k( 200) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0028090 k( 201) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0028090 k( 202) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0028090 k( 203) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0028090 k( 204) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0028090 k( 205) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0028090 k( 206) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0028090 k( 207) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0028090 k( 208) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0028090 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028090 k( 212) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028090 k( 213) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028090 k( 214) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028090 k( 215) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028090 k( 216) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028090 k( 217) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028090 k( 218) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028090 k( 219) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028090 k( 220) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028090 k( 221) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028090 k( 222) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028090 k( 223) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028090 k( 224) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028090 k( 225) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028090 k( 226) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028090 k( 227) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028090 k( 228) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028090 k( 229) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028090 k( 230) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028090 k( 231) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0028090 k( 238) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028090 k( 239) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028090 k( 240) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028090 k( 241) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028090 k( 242) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028090 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 245) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028090 k( 246) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028090 k( 247) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028090 k( 248) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028090 k( 249) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028090 k( 250) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028090 k( 251) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028090 k( 252) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028090 k( 253) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028090 k( 254) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028090 k( 255) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028090 k( 256) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028090 k( 257) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028090 k( 258) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028090 k( 259) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028090 k( 260) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028090 k( 261) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028090 k( 262) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028090 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 264) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 265) = ( 0.5000000 0.2565789 0.7434210), wk = 0.0028090 k( 266) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028090 k( 267) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028090 k( 268) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028090 k( 269) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028090 k( 270) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028090 k( 271) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028090 k( 272) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028090 k( 273) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028090 k( 274) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028090 k( 275) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028090 k( 276) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028090 k( 277) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028090 k( 278) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028090 k( 279) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028090 k( 280) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028090 k( 281) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028090 k( 282) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028090 k( 283) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028090 k( 284) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028090 k( 285) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028090 k( 286) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028090 k( 287) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028090 k( 288) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028090 k( 289) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028090 k( 290) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028090 k( 291) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028090 k( 292) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028090 k( 293) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028090 k( 294) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028090 k( 295) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028090 k( 296) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028090 k( 297) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028090 k( 298) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028090 k( 299) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028090 k( 300) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028090 k( 301) = ( 0.5000000 0.4934211 0.5065789), wk = 0.0028090 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 304) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028090 k( 305) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028090 k( 306) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028090 k( 307) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028090 k( 308) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028090 k( 309) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028090 k( 310) = ( 0.4734849 0.4734849 0.5530303), wk = 0.0028090 k( 311) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028090 k( 312) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028090 k( 313) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028090 k( 314) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028090 k( 315) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028090 k( 316) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028090 k( 317) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028090 k( 318) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028090 k( 319) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028090 k( 320) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028090 k( 321) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028090 k( 322) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028090 k( 323) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028090 k( 324) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028090 k( 325) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028090 k( 326) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028090 k( 327) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028090 k( 328) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028090 k( 329) = ( 0.4015151 0.4015152 0.6969697), wk = 0.0028090 k( 330) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028090 k( 331) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028090 k( 332) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028090 k( 333) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028090 k( 334) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028090 k( 335) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028090 k( 336) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 338) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028090 k( 339) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028090 k( 340) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028090 k( 341) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028090 k( 342) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028090 k( 343) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028090 k( 344) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028090 k( 345) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028090 k( 346) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028090 k( 347) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028090 k( 348) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028090 k( 349) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028090 k( 350) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028090 k( 351) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028090 k( 352) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028090 k( 353) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028090 k( 354) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028090 k( 355) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028090 k( 356) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 Dense grid: 18149 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 15089 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 112, 28) NL pseudopotentials 0.06 Mb ( 56, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 507) G-vector shells 0.00 Mb ( 185) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 112, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) The potential is recalculated from file : ./PbS.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 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 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 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.2 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.7 secs Computing kpt #: 21 total cpu time spent up to now is 4.8 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.3 secs Computing kpt #: 27 total cpu time spent up to now is 5.4 secs Computing kpt #: 28 total cpu time spent up to now is 5.5 secs Computing kpt #: 29 total cpu time spent up to now is 5.6 secs Computing kpt #: 30 total 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Computing kpt #: 78 total cpu time spent up to now is 10.3 secs Computing kpt #: 79 total cpu time spent up to now is 10.4 secs Computing kpt #: 80 total cpu time spent up to now is 10.5 secs Computing kpt #: 81 total cpu time spent up to now is 10.6 secs Computing kpt #: 82 total cpu time spent up to now is 10.8 secs Computing kpt #: 83 total cpu time spent up to now is 10.9 secs Computing kpt #: 84 total cpu time spent up to now is 11.0 secs Computing kpt #: 85 total cpu time spent up to now is 11.1 secs Computing kpt #: 86 total cpu time spent up to now is 11.2 secs Computing kpt #: 87 total cpu time spent up to now is 11.4 secs Computing kpt #: 88 total cpu time spent up to now is 11.5 secs Computing kpt #: 89 total cpu time spent up to now is 11.6 secs Computing kpt #: 90 total cpu time spent up to now is 11.7 secs Computing kpt #: 91 total cpu time spent up to now is 11.8 secs Computing kpt #: 92 total cpu time spent up to now is 11.9 secs Computing kpt #: 93 total cpu time spent up to now is 12.0 secs Computing kpt #: 94 total cpu time spent up to now is 12.1 secs Computing kpt #: 95 total cpu time spent up to now is 12.2 secs Computing kpt #: 96 total cpu time spent up to now is 12.3 secs Computing kpt #: 97 total cpu time spent up to now is 12.4 secs Computing kpt #: 98 total cpu time spent up to now is 12.5 secs Computing kpt #: 99 total cpu time spent up to now is 12.6 secs Computing kpt #: 100 total cpu time spent up to now is 12.7 secs Computing kpt #: 101 total cpu time spent up to now is 12.8 secs Computing kpt #: 102 total cpu time spent up to now is 12.9 secs Computing kpt #: 103 total cpu time spent up to now is 13.0 secs Computing kpt #: 104 total cpu time spent up to now is 13.1 secs Computing kpt #: 105 total cpu time spent up to now is 13.2 secs Computing kpt #: 106 total cpu time spent up to now is 13.4 secs Computing kpt #: 107 total cpu time spent up to now is 13.5 secs Computing kpt #: 108 total cpu time spent up to now is 13.6 secs Computing kpt #: 109 total cpu time spent up to now is 13.7 secs Computing kpt #: 110 total cpu time spent up to now is 13.8 secs Computing kpt #: 111 total cpu time spent up to now is 13.9 secs Computing kpt #: 112 total cpu time spent up to now is 14.0 secs Computing kpt #: 113 total cpu time spent up to now is 14.1 secs Computing kpt #: 114 total cpu time spent up to now is 14.3 secs Computing kpt #: 115 total cpu time spent up to now is 14.4 secs Computing kpt #: 116 total cpu time spent up to now is 14.6 secs Computing kpt #: 117 total cpu time spent up to now is 14.8 secs Computing kpt #: 118 total cpu time spent up to now is 15.0 secs Computing kpt #: 119 total cpu time spent up to now is 15.2 secs Computing kpt #: 120 total cpu time spent up to now is 15.4 secs Computing kpt #: 121 total cpu time spent up to now is 15.6 secs Computing kpt #: 122 total cpu time spent up to now is 15.8 secs Computing kpt #: 123 total cpu time spent up to now is 16.0 secs Computing kpt #: 124 total cpu time spent up to now is 16.2 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 16.5 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 16.9 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 17.2 secs Computing kpt #: 131 total cpu time spent up to now is 17.4 secs Computing kpt #: 132 total cpu time spent up to now is 17.6 secs Computing kpt #: 133 total cpu time spent up to now is 17.8 secs Computing kpt #: 134 total cpu time spent up to now is 17.9 secs Computing kpt #: 135 total cpu time spent up to now is 18.1 secs Computing kpt #: 136 total cpu time spent up to now is 18.3 secs Computing kpt #: 137 total cpu time spent up to now is 18.4 secs Computing kpt #: 138 total cpu time spent up to now is 18.6 secs Computing kpt #: 139 total cpu time spent up to now is 18.8 secs Computing kpt #: 140 total cpu time spent up to now is 19.0 secs Computing kpt #: 141 total cpu time spent up to now is 19.2 secs Computing kpt #: 142 total cpu time spent up to now is 19.4 secs Computing kpt #: 143 total cpu time spent up to now is 19.6 secs Computing kpt #: 144 total cpu time spent up to now is 19.9 secs Computing kpt #: 145 total cpu time spent up to now is 20.1 secs Computing kpt #: 146 total cpu time spent up to now is 20.3 secs Computing kpt #: 147 total cpu time spent up to now is 20.5 secs Computing kpt #: 148 total cpu time spent up to now is 20.7 secs Computing kpt #: 149 total cpu time spent up to now is 21.0 secs Computing kpt #: 150 total cpu time spent up to now is 21.2 secs Computing kpt #: 151 total cpu time spent up to now is 21.4 secs Computing kpt #: 152 total cpu time spent up to now is 21.7 secs Computing kpt #: 153 total cpu time spent up to now is 21.9 secs Computing kpt #: 154 total cpu time spent up to now is 22.2 secs Computing kpt #: 155 total cpu time spent up to now is 22.4 secs Computing kpt #: 156 total cpu time spent up to now is 22.6 secs Computing kpt #: 157 total cpu time spent up to now is 22.9 secs Computing kpt #: 158 total cpu time spent up to now is 23.1 secs Computing kpt #: 159 total cpu time spent up to now is 23.4 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.9 secs Computing kpt #: 161 total cpu time spent up to now is 24.0 secs Computing kpt #: 162 total cpu time spent up to now is 24.2 secs Computing kpt #: 163 total cpu time spent up to now is 24.5 secs Computing kpt #: 164 total cpu time spent up to now is 24.8 secs Computing kpt #: 165 total cpu time spent up to now is 25.1 secs Computing kpt #: 166 total cpu time spent up to now is 25.3 secs Computing kpt #: 167 total cpu time spent up to now is 25.5 secs Computing kpt #: 168 total cpu time spent up to now is 25.7 secs Computing kpt #: 169 total cpu time spent up to now is 25.9 secs Computing kpt #: 170 total cpu time spent up to now is 26.1 secs Computing kpt #: 171 total cpu time spent up to now is 26.3 secs Computing kpt #: 172 total cpu time spent up to now is 26.5 secs Computing kpt #: 173 total cpu time spent up to now is 26.6 secs Computing kpt #: 174 total cpu time spent up to now is 26.8 secs Computing kpt #: 175 total cpu time spent up to now is 27.0 secs Computing kpt #: 176 total cpu time spent up to now is 27.1 secs Computing kpt #: 177 total cpu time spent up to now is 27.3 secs Computing kpt #: 178 total cpu time spent up to now is 27.4 secs Computing kpt #: 179 total cpu time spent up to now is 27.6 secs Computing kpt #: 180 total cpu time spent up to now is 27.7 secs Computing kpt #: 181 total cpu time spent up to now is 27.8 secs Computing kpt #: 182 total cpu time spent up to now is 27.9 secs Computing kpt #: 183 total cpu time spent up to now is 28.1 secs Computing kpt #: 184 total cpu time spent up to now is 28.2 secs Computing kpt #: 185 total cpu time spent up to now is 28.3 secs Computing kpt #: 186 total cpu time spent up to now is 28.4 secs Computing kpt #: 187 total cpu time spent up to now is 28.6 secs Computing kpt #: 188 total cpu time spent up to now is 28.7 secs Computing kpt #: 189 total cpu time spent up to now is 28.8 secs Computing kpt #: 190 total cpu time spent up to now is 29.0 secs Computing kpt #: 191 total cpu time spent up to now is 29.1 secs Computing kpt #: 192 total cpu time spent up to now is 29.2 secs Computing kpt #: 193 total cpu time spent up to now is 29.3 secs Computing kpt #: 194 total cpu time spent up to now is 29.5 secs Computing kpt #: 195 total cpu time spent up to now is 29.6 secs Computing kpt #: 196 total cpu time spent up to now is 29.7 secs Computing kpt #: 197 total cpu time spent up to now is 29.9 secs Computing kpt #: 198 total cpu time spent up to now is 30.0 secs Computing kpt #: 199 total cpu time spent up to now is 30.1 secs Computing kpt #: 200 total cpu time spent up to now is 30.2 secs Computing kpt #: 201 total cpu time spent up to now is 30.3 secs Computing kpt #: 202 total cpu time spent up to now is 30.4 secs Computing kpt #: 203 total cpu time spent up to now is 30.6 secs Computing kpt #: 204 total cpu time spent up to now is 30.7 secs Computing kpt #: 205 total cpu time spent up to now is 30.8 secs Computing kpt #: 206 total cpu time spent up to now is 30.9 secs Computing kpt #: 207 total cpu time spent up to now is 31.0 secs Computing kpt #: 208 total cpu time spent up to now is 31.1 secs Computing kpt #: 209 total cpu time spent up to now is 31.2 secs Computing kpt #: 210 total cpu time spent up to now is 31.3 secs Computing kpt #: 211 total cpu time spent up to now is 31.4 secs Computing kpt #: 212 total cpu time spent up to now is 31.5 secs Computing kpt #: 213 total cpu time spent up to now is 31.7 secs Computing kpt #: 214 total cpu time spent up to now is 31.8 secs Computing kpt #: 215 total cpu time spent up to now is 31.9 secs Computing kpt #: 216 total cpu time spent up to now is 32.0 secs Computing kpt #: 217 total cpu time spent up to now is 32.1 secs Computing kpt #: 218 total cpu time spent up to now is 32.2 secs Computing kpt #: 219 total cpu time spent up to now is 32.4 secs Computing kpt #: 220 total cpu time spent up to now is 32.5 secs Computing kpt #: 221 total cpu time spent up to now is 32.6 secs Computing kpt #: 222 total cpu time spent up to now is 32.7 secs Computing kpt #: 223 total cpu time spent up to now is 32.8 secs Computing kpt #: 224 total cpu time spent up to now is 33.0 secs Computing kpt #: 225 total cpu time spent up to now is 33.1 secs Computing kpt #: 226 total cpu time spent up to now is 33.2 secs Computing kpt #: 227 total cpu time spent up to now is 33.3 secs Computing kpt #: 228 total cpu time spent up to now is 33.4 secs Computing kpt #: 229 total cpu time spent up to now is 33.5 secs Computing kpt #: 230 total cpu time spent up to now is 33.6 secs Computing kpt #: 231 total cpu time spent up to now is 33.8 secs Computing kpt #: 232 total cpu time spent up to now is 33.9 secs Computing kpt #: 233 total cpu time spent up to now is 34.0 secs Computing kpt #: 234 total cpu time spent up to now is 34.1 secs Computing kpt #: 235 total cpu time spent up to now is 34.2 secs Computing kpt #: 236 total cpu time spent up to now is 34.3 secs Computing kpt #: 237 total cpu time spent up to now is 34.4 secs Computing kpt #: 238 total cpu time spent up to now is 34.5 secs Computing kpt #: 239 total cpu time spent up to now is 34.6 secs Computing kpt #: 240 total cpu time spent up to now is 35.2 secs Computing kpt #: 241 total cpu time spent up to now is 35.3 secs Computing kpt #: 242 total cpu time spent up to now is 35.4 secs Computing kpt #: 243 total cpu time spent up to now is 35.5 secs Computing kpt #: 244 total cpu time spent up to now is 35.6 secs Computing kpt #: 245 total cpu time spent up to now is 35.7 secs Computing kpt #: 246 total cpu time spent up to now is 35.8 secs Computing kpt #: 247 total cpu time spent up to now is 35.9 secs Computing kpt #: 248 total cpu time spent up to now is 36.0 secs Computing kpt #: 249 total cpu time spent up to now is 36.1 secs Computing kpt #: 250 total cpu time spent up to now is 36.2 secs Computing kpt #: 251 total cpu time spent up to now is 36.3 secs Computing kpt #: 252 total cpu time spent up to now is 36.4 secs Computing kpt #: 253 total cpu time spent up to now is 36.5 secs Computing kpt #: 254 total cpu time spent up to now is 36.6 secs Computing kpt #: 255 total cpu time spent up to now is 36.7 secs Computing kpt #: 256 total cpu time spent up to now is 36.8 secs Computing kpt #: 257 total cpu time spent up to now is 36.9 secs Computing kpt #: 258 total cpu time spent up to now is 37.1 secs Computing kpt #: 259 total cpu time spent up to now is 37.2 secs Computing kpt #: 260 total cpu time spent up to now is 37.3 secs Computing kpt #: 261 total cpu time spent up to now is 37.4 secs Computing kpt #: 262 total cpu time spent up to now is 37.5 secs Computing kpt #: 263 total cpu time spent up to now is 37.6 secs Computing kpt #: 264 total cpu time spent up to now is 37.8 secs Computing kpt #: 265 total cpu time spent up to now is 37.9 secs Computing kpt #: 266 total cpu time spent up to now is 38.0 secs Computing kpt #: 267 total cpu time spent up to now is 38.1 secs Computing kpt #: 268 total cpu time spent up to now is 38.3 secs Computing kpt #: 269 total cpu time spent up to now is 38.4 secs Computing kpt #: 270 total cpu time spent up to now is 38.6 secs Computing kpt #: 271 total cpu time spent up to now is 38.7 secs Computing kpt #: 272 total cpu time spent up to now is 38.8 secs Computing kpt #: 273 total cpu time spent up to now is 39.0 secs Computing kpt #: 274 total cpu time spent up to now is 39.1 secs Computing kpt #: 275 total cpu time spent up to now is 39.3 secs Computing kpt #: 276 total cpu time spent up to now is 39.5 secs Computing kpt #: 277 total cpu time spent up to now is 39.6 secs Computing kpt #: 278 total cpu time spent up to now is 39.8 secs Computing kpt #: 279 total cpu time spent up to now is 40.0 secs Computing kpt #: 280 total cpu time spent up to now is 40.1 secs Computing kpt #: 281 total cpu time spent up to now is 40.3 secs Computing kpt #: 282 total cpu time spent up to now is 40.4 secs Computing kpt #: 283 total cpu time spent up to now is 40.6 secs Computing kpt #: 284 total cpu time spent up to now is 40.7 secs Computing kpt #: 285 total cpu time spent up to now is 40.8 secs Computing kpt #: 286 total cpu time spent up to now is 41.0 secs Computing kpt #: 287 total cpu time spent up to now is 41.1 secs Computing kpt #: 288 total cpu time spent up to now is 41.3 secs Computing kpt #: 289 total cpu time spent up to now is 41.4 secs Computing kpt #: 290 total cpu time spent up to now is 41.5 secs Computing kpt #: 291 total cpu time spent up to now is 41.7 secs Computing kpt #: 292 total cpu time spent up to now is 41.8 secs Computing kpt #: 293 total cpu time spent up to now is 41.9 secs Computing kpt #: 294 total cpu time spent up to now is 42.1 secs Computing kpt #: 295 total cpu time spent up to now is 42.2 secs Computing kpt #: 296 total cpu time spent up to now is 42.3 secs Computing kpt #: 297 total cpu time spent up to now is 42.4 secs Computing kpt #: 298 total cpu time spent up to now is 42.6 secs Computing kpt #: 299 total cpu time spent up to now is 42.7 secs Computing kpt #: 300 total cpu time spent up to now is 42.8 secs Computing kpt #: 301 total cpu time spent up to now is 42.9 secs Computing kpt #: 302 total cpu time spent up to now is 43.0 secs Computing kpt #: 303 total cpu time spent up to now is 43.1 secs Computing kpt #: 304 total cpu time spent up to now is 43.2 secs Computing kpt #: 305 total cpu time spent up to now is 43.3 secs Computing kpt #: 306 total cpu time spent up to now is 43.4 secs Computing kpt #: 307 total cpu time spent up to now is 43.6 secs Computing kpt #: 308 total cpu time spent up to now is 43.7 secs Computing kpt #: 309 total cpu time spent up to now is 43.8 secs Computing kpt #: 310 total cpu time spent up to now is 43.9 secs Computing kpt #: 311 total cpu time spent up to now is 44.0 secs Computing kpt #: 312 total cpu time spent up to now is 44.1 secs Computing kpt #: 313 total cpu time spent up to now is 44.3 secs Computing kpt #: 314 total cpu time spent up to now is 44.4 secs Computing kpt #: 315 total cpu time spent up to now is 44.5 secs Computing kpt #: 316 total cpu time spent up to now is 44.6 secs Computing kpt #: 317 total cpu time spent up to now is 44.7 secs Computing kpt #: 318 total cpu time spent up to now is 44.9 secs Computing kpt #: 319 total cpu time spent up to now is 45.0 secs Computing kpt #: 320 total cpu time spent up to now is 45.1 secs Computing kpt #: 321 total cpu time spent up to now is 45.2 secs Computing kpt #: 322 total cpu time spent up to now is 45.3 secs Computing kpt #: 323 total cpu time spent up to now is 45.4 secs Computing kpt #: 324 total cpu time spent up to now is 45.5 secs Computing kpt #: 325 total cpu time spent up to now is 45.6 secs Computing kpt #: 326 total cpu time spent up to now is 45.8 secs Computing kpt #: 327 total cpu time spent up to now is 45.9 secs Computing kpt #: 328 total cpu time spent up to now is 46.0 secs Computing kpt #: 329 total cpu time spent up to now is 46.1 secs Computing kpt #: 330 total cpu time spent up to now is 46.2 secs Computing kpt #: 331 total cpu time spent up to now is 46.3 secs Computing kpt #: 332 total cpu time spent up to now is 46.4 secs Computing kpt #: 333 total cpu time spent up to now is 46.5 secs Computing kpt #: 334 total cpu time spent up to now is 46.6 secs Computing kpt #: 335 total cpu time spent up to now is 46.7 secs Computing kpt #: 336 total cpu time spent up to now is 46.8 secs Computing kpt #: 337 total cpu time spent up to now is 46.9 secs Computing kpt #: 338 total cpu time spent up to now is 47.0 secs Computing kpt #: 339 total cpu time spent up to now is 47.1 secs Computing kpt #: 340 total cpu time spent up to now is 47.3 secs Computing kpt #: 341 total cpu time spent up to now is 47.4 secs Computing kpt #: 342 total cpu time spent up to now is 47.5 secs Computing kpt #: 343 total cpu time spent up to now is 47.6 secs Computing kpt #: 344 total cpu time spent up to now is 47.7 secs Computing kpt #: 345 total cpu time spent up to now is 47.7 secs Computing kpt #: 346 total cpu time spent up to now is 47.8 secs Computing kpt #: 347 total cpu time spent up to now is 47.9 secs Computing kpt #: 348 total cpu time spent up to now is 48.0 secs Computing kpt #: 349 total cpu time spent up to now is 48.1 secs Computing kpt #: 350 total cpu time spent up to now is 48.2 secs Computing kpt #: 351 total cpu time spent up to now is 48.3 secs Computing kpt #: 352 total cpu time spent up to now is 48.4 secs Computing kpt #: 353 total cpu time spent up to now is 48.5 secs Computing kpt #: 354 total cpu time spent up to now is 48.6 secs Computing kpt #: 355 total cpu time spent up to now is 48.7 secs Computing kpt #: 356 total cpu time spent up to now is 48.8 secs ethr = 5.00E-08, avg # of iterations = 19.7 total cpu time spent up to now is 48.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9311 -6.9311 -6.9217 -6.9217 -6.9217 -6.9217 -4.9838 -4.9838 2.7481 2.7481 6.1915 6.1915 6.5585 6.5585 6.5585 6.5585 12.1836 12.1836 14.7219 14.7219 14.7219 14.7219 15.3751 15.3751 k = 0.0093-0.0053 0.0076 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9311 -6.9311 -6.9217 -6.9217 -6.9217 -6.9217 -4.9828 -4.9828 2.7442 2.7442 6.1929 6.1929 6.5574 6.5574 6.5619 6.5619 12.1781 12.1781 14.7005 14.7005 14.7115 14.7115 15.3741 15.3741 k = 0.0185-0.0107 0.0151 ( 1913 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9310 -6.9310 -6.9218 -6.9218 -6.9216 -6.9216 -4.9799 -4.9799 2.7326 2.7326 6.1964 6.1964 6.5541 6.5541 6.5727 6.5727 12.1615 12.1615 14.6397 14.6397 14.6828 14.6828 15.3633 15.3633 k = 0.0278-0.0160 0.0227 ( 1913 PWs) bands (ev): -9.4789 -9.4789 -9.4789 -9.4789 -6.9308 -6.9308 -6.9219 -6.9219 -6.9215 -6.9215 -4.9749 -4.9749 2.7135 2.7135 6.2011 6.2011 6.5487 6.5487 6.5915 6.5915 12.1338 12.1338 14.5471 14.5471 14.6409 14.6409 15.3337 15.3337 k = 0.0370-0.0214 0.0302 ( 1913 PWs) bands (ev): -9.4789 -9.4789 -9.4789 -9.4789 -6.9306 -6.9306 -6.9221 -6.9221 -6.9214 -6.9214 -4.9680 -4.9680 2.6874 2.6874 6.2051 6.2051 6.5411 6.5411 6.6194 6.6194 12.0946 12.0946 14.4317 14.4317 14.5914 14.5914 15.2870 15.2870 k = 0.0463-0.0267 0.0378 ( 1905 PWs) bands (ev): -9.4788 -9.4788 -9.4788 -9.4788 -6.9304 -6.9304 -6.9224 -6.9224 -6.9212 -6.9212 -4.9592 -4.9592 2.6550 2.6550 6.2071 6.2071 6.5314 6.5314 6.6574 6.6574 12.0438 12.0438 14.3021 14.3021 14.5381 14.5381 15.2272 15.2272 k = 0.0556-0.0321 0.0454 ( 1905 PWs) bands (ev): -9.4788 -9.4788 -9.4787 -9.4787 -6.9301 -6.9301 -6.9227 -6.9227 -6.9210 -6.9210 -4.9483 -4.9483 2.6167 2.6167 6.2057 6.2057 6.5196 6.5196 6.7057 6.7057 11.9810 11.9810 14.1657 14.1657 14.4840 14.4840 15.1579 15.1579 k = 0.0648-0.0374 0.0529 ( 1901 PWs) bands (ev): -9.4787 -9.4787 -9.4786 -9.4786 -6.9298 -6.9298 -6.9231 -6.9231 -6.9207 -6.9207 -4.9355 -4.9355 2.5735 2.5735 6.2003 6.2003 6.5058 6.5058 6.7639 6.7639 11.9060 11.9060 14.0286 14.0286 14.4308 14.4308 15.0816 15.0816 k = 0.0741-0.0428 0.0605 ( 1905 PWs) bands (ev): -9.4786 -9.4786 -9.4784 -9.4784 -6.9295 -6.9295 -6.9236 -6.9236 -6.9203 -6.9203 -4.9207 -4.9207 2.5260 2.5260 6.1910 6.1910 6.4900 6.4900 6.8309 6.8309 11.8186 11.8186 13.8954 13.8954 14.3797 14.3797 15.0003 15.0003 k = 0.0833-0.0481 0.0680 ( 1913 PWs) bands (ev): -9.4786 -9.4786 -9.4783 -9.4783 -6.9291 -6.9291 -6.9243 -6.9243 -6.9198 -6.9198 -4.9039 -4.9039 2.4749 2.4749 6.1778 6.1778 6.4722 6.4722 6.9053 6.9053 11.7193 11.7193 13.7701 13.7701 14.3316 14.3316 14.9156 14.9156 k = 0.0926-0.0535 0.0756 ( 1901 PWs) bands (ev): -9.4785 -9.4785 -9.4782 -9.4782 -6.9288 -6.9288 -6.9250 -6.9250 -6.9193 -6.9193 -4.8851 -4.8851 2.4211 2.4211 6.1611 6.1611 6.4526 6.4526 6.9856 6.9856 11.6087 11.6087 13.6550 13.6550 14.2869 14.2869 14.8285 14.8285 k = 0.1019-0.0588 0.0832 ( 1900 PWs) bands (ev): -9.4784 -9.4784 -9.4780 -9.4780 -6.9285 -6.9285 -6.9259 -6.9259 -6.9186 -6.9186 -4.8643 -4.8643 2.3651 2.3651 6.1413 6.1413 6.4312 6.4312 7.0699 7.0699 11.4884 11.4884 13.5518 13.5518 14.2460 14.2460 14.7401 14.7401 k = 0.1111-0.0642 0.0907 ( 1900 PWs) bands (ev): -9.4784 -9.4784 -9.4778 -9.4778 -6.9283 -6.9283 -6.9270 -6.9270 -6.9178 -6.9178 -4.8415 -4.8415 2.3075 2.3075 6.1186 6.1186 6.4081 6.4081 7.1562 7.1562 11.3604 11.3604 13.4611 13.4611 14.2092 14.2092 14.6511 14.6511 k = 0.1204-0.0695 0.0983 ( 1900 PWs) bands (ev): -9.4783 -9.4783 -9.4776 -9.4776 -6.9282 -6.9282 -6.9280 -6.9280 -6.9170 -6.9170 -4.8168 -4.8168 2.2489 2.2489 6.0933 6.0933 6.3833 6.3833 7.2424 7.2424 11.2276 11.2276 13.3828 13.3828 14.1765 14.1765 14.5621 14.5621 k = 0.1296-0.0748 0.1058 ( 1900 PWs) bands (ev): -9.4783 -9.4783 -9.4774 -9.4774 -6.9296 -6.9296 -6.9278 -6.9278 -6.9160 -6.9160 -4.7901 -4.7901 2.1898 2.1898 6.0658 6.0658 6.3571 6.3571 7.3260 7.3260 11.0932 11.0932 13.3165 13.3165 14.1481 14.1481 14.4735 14.4735 k = 0.1389-0.0802 0.1134 ( 1900 PWs) bands (ev): -9.4783 -9.4783 -9.4772 -9.4772 -6.9312 -6.9312 -6.9277 -6.9277 -6.9149 -6.9149 -4.7614 -4.7614 2.1307 2.1307 6.0362 6.0362 6.3293 6.3293 7.4043 7.4043 10.9611 10.9611 13.2614 13.2614 14.1239 14.1239 14.3858 14.3858 k = 0.1481-0.0855 0.1210 ( 1908 PWs) bands (ev): -9.4783 -9.4783 -9.4770 -9.4770 -6.9330 -6.9330 -6.9276 -6.9276 -6.9136 -6.9136 -4.7308 -4.7308 2.0720 2.0720 6.0047 6.0047 6.3003 6.3003 7.4741 7.4741 10.8356 10.8356 13.2165 13.2165 14.1039 14.1039 14.2993 14.2993 k = 0.1574-0.0909 0.1285 ( 1908 PWs) bands (ev): -9.4784 -9.4784 -9.4767 -9.4767 -6.9349 -6.9349 -6.9275 -6.9275 -6.9124 -6.9124 -4.6983 -4.6983 2.0140 2.0140 5.9716 5.9716 6.2700 6.2700 7.5319 7.5319 10.7212 10.7212 13.1809 13.1809 14.0878 14.0878 14.2147 14.2147 k = 0.1667-0.0962 0.1361 ( 1908 PWs) bands (ev): -9.4784 -9.4784 -9.4765 -9.4765 -6.9371 -6.9371 -6.9274 -6.9274 -6.9110 -6.9110 -4.6640 -4.6640 1.9570 1.9570 5.9370 5.9370 6.2386 6.2386 7.5738 7.5738 10.6226 10.6226 13.1538 13.1538 14.0732 14.0732 14.1343 14.1343 k = 0.1759-0.1016 0.1436 ( 1908 PWs) bands (ev): -9.4785 -9.4785 -9.4762 -9.4762 -6.9395 -6.9395 -6.9274 -6.9274 -6.9095 -6.9095 -4.6278 -4.6278 1.9014 1.9014 5.9012 5.9012 6.2063 6.2063 7.5959 7.5959 10.5444 10.5444 13.1343 13.1343 14.0356 14.0356 14.0829 14.0829 k = 0.1852-0.1069 0.1512 ( 1916 PWs) bands (ev): -9.4787 -9.4787 -9.4760 -9.4760 -6.9420 -6.9420 -6.9273 -6.9273 -6.9080 -6.9080 -4.5899 -4.5899 1.8474 1.8474 5.8641 5.8641 6.1730 6.1730 7.5951 7.5951 10.4905 10.4905 13.1218 13.1218 13.9611 13.9611 14.0742 14.0742 k = 0.1944-0.1123 0.1588 ( 1916 PWs) bands (ev): -9.4789 -9.4789 -9.4757 -9.4757 -6.9448 -6.9448 -6.9273 -6.9273 -6.9064 -6.9064 -4.5503 -4.5503 1.7953 1.7953 5.8261 5.8261 6.1391 6.1391 7.5690 7.5690 10.4635 10.4635 13.1157 13.1157 13.8837 13.8837 14.0745 14.0745 k = 0.2037-0.1176 0.1663 ( 1916 PWs) bands (ev): -9.4791 -9.4791 -9.4754 -9.4754 -6.9478 -6.9478 -6.9273 -6.9273 -6.9048 -6.9048 -4.5090 -4.5090 1.7452 1.7452 5.7873 5.7873 6.1045 6.1045 7.5172 7.5172 10.4644 10.4644 13.1156 13.1156 13.8074 13.8074 14.0796 14.0796 k = 0.2130-0.1230 0.1739 ( 1916 PWs) bands (ev): -9.4793 -9.4793 -9.4751 -9.4751 -6.9509 -6.9509 -6.9274 -6.9274 -6.9031 -6.9031 -4.4662 -4.4662 1.6972 1.6972 5.7477 5.7477 6.0694 6.0694 7.4407 7.4407 10.4923 10.4923 13.1210 13.1210 13.7329 13.7329 14.0888 14.0888 k = 0.2222-0.1283 0.1814 ( 1912 PWs) bands (ev): -9.4796 -9.4796 -9.4748 -9.4748 -6.9542 -6.9542 -6.9274 -6.9274 -6.9013 -6.9013 -4.4219 -4.4219 1.6517 1.6517 5.7075 5.7075 6.0340 6.0340 7.3419 7.3419 10.5448 10.5448 13.1315 13.1315 13.6603 13.6603 14.1018 14.1018 k = 0.2315-0.1336 0.1890 ( 1912 PWs) bands (ev): -9.4800 -9.4800 -9.4746 -9.4746 -6.9577 -6.9577 -6.9274 -6.9274 -6.8996 -6.8996 -4.3762 -4.3762 1.6088 1.6088 5.6668 5.6668 5.9983 5.9983 7.2242 7.2242 10.6189 10.6189 13.1469 13.1469 13.5899 13.5899 14.1183 14.1183 k = 0.2407-0.1390 0.1966 ( 1924 PWs) bands (ev): -9.4803 -9.4803 -9.4743 -9.4743 -6.9614 -6.9614 -6.9275 -6.9275 -6.8978 -6.8978 -4.3292 -4.3292 1.5685 1.5685 5.6257 5.6257 5.9625 5.9625 7.0912 7.0912 10.7109 10.7109 13.1668 13.1668 13.5216 13.5216 14.1383 14.1383 k = 0.2500-0.1443 0.2041 ( 1924 PWs) bands (ev): -9.4808 -9.4808 -9.4740 -9.4740 -6.9651 -6.9651 -6.9275 -6.9275 -6.8960 -6.8960 -4.2812 -4.2812 1.5311 1.5311 5.5841 5.5841 5.9267 5.9267 6.9461 6.9461 10.8176 10.8176 13.1911 13.1911 13.4556 13.4556 14.1615 14.1615 k = 0.2593-0.1497 0.2117 ( 1924 PWs) bands (ev): -9.4812 -9.4812 -9.4737 -9.4737 -6.9690 -6.9690 -6.9276 -6.9276 -6.8942 -6.8942 -4.2321 -4.2321 1.4966 1.4966 5.5422 5.5422 5.8911 5.8911 6.7922 6.7922 10.9356 10.9356 13.2196 13.2196 13.3918 13.3918 14.1876 14.1876 k = 0.2685-0.1550 0.2192 ( 1916 PWs) bands (ev): -9.4817 -9.4817 -9.4734 -9.4734 -6.9730 -6.9730 -6.9276 -6.9276 -6.8923 -6.8923 -4.1821 -4.1821 1.4652 1.4652 5.4998 5.4998 5.8558 5.8558 6.6320 6.6320 11.0625 11.0625 13.2521 13.2521 13.3304 13.3304 14.2166 14.2166 k = 0.2778-0.1604 0.2268 ( 1912 PWs) bands (ev): -9.4822 -9.4822 -9.4731 -9.4731 -6.9770 -6.9770 -6.9277 -6.9277 -6.8905 -6.8905 -4.1314 -4.1314 1.4369 1.4369 5.4567 5.4567 5.8208 5.8208 6.4680 6.4680 11.1957 11.1957 13.2712 13.2712 13.2886 13.2886 14.2481 14.2481 k = 0.2870-0.1657 0.2344 ( 1912 PWs) bands (ev): -9.4828 -9.4828 -9.4728 -9.4728 -6.9811 -6.9811 -6.9277 -6.9277 -6.8887 -6.8887 -4.0802 -4.0802 1.4119 1.4119 5.4126 5.4126 5.7863 5.7863 6.3024 6.3024 11.3333 11.3333 13.2144 13.2144 13.3289 13.3289 14.2820 14.2820 k = 0.2963-0.1711 0.2419 ( 1912 PWs) bands (ev): -9.4834 -9.4834 -9.4725 -9.4725 -6.9853 -6.9853 -6.9278 -6.9278 -6.8869 -6.8869 -4.0287 -4.0287 1.3903 1.3903 5.3668 5.3668 5.7524 5.7524 6.1374 6.1374 11.4734 11.4734 13.1599 13.1599 13.3731 13.3731 14.3179 14.3179 k = 0.3056-0.1764 0.2495 ( 1912 PWs) bands (ev): -9.4840 -9.4840 -9.4723 -9.4723 -6.9894 -6.9894 -6.9279 -6.9279 -6.8851 -6.8851 -3.9770 -3.9770 1.3721 1.3721 5.3180 5.3180 5.7193 5.7193 5.9755 5.9755 11.6143 11.6143 13.1078 13.1078 13.4210 13.4210 14.3556 14.3556 k = 0.3148-0.1818 0.2570 ( 1908 PWs) bands (ev): -9.4846 -9.4846 -9.4720 -9.4720 -6.9935 -6.9935 -6.9279 -6.9279 -6.8834 -6.8834 -3.9253 -3.9253 1.3575 1.3575 5.2640 5.2640 5.6870 5.6870 5.8200 5.8200 11.7547 11.7547 13.0580 13.0580 13.4728 13.4728 14.3950 14.3950 k = 0.3241-0.1871 0.2646 ( 1900 PWs) bands (ev): -9.4853 -9.4853 -9.4717 -9.4717 -6.9976 -6.9976 -6.9280 -6.9280 -6.8817 -6.8817 -3.8739 -3.8739 1.3464 1.3464 5.2012 5.2012 5.6556 5.6556 5.6755 5.6755 11.8931 11.8931 13.0107 13.0107 13.5284 13.5284 14.4355 14.4355 k = 0.3333-0.1925 0.2722 ( 1900 PWs) bands (ev): -9.4859 -9.4859 -9.4715 -9.4715 -7.0017 -7.0017 -6.9280 -6.9280 -6.8800 -6.8800 -3.8230 -3.8230 1.3389 1.3389 5.1239 5.1239 5.5485 5.5485 5.6252 5.6252 12.0281 12.0281 12.9658 12.9658 13.5878 13.5878 14.4771 14.4771 k = 0.3426-0.1978 0.2797 ( 1916 PWs) bands (ev): -9.4866 -9.4866 -9.4712 -9.4712 -7.0056 -7.0056 -6.9281 -6.9281 -6.8784 -6.8784 -3.7728 -3.7728 1.3351 1.3351 5.0272 5.0272 5.4447 5.4447 5.5959 5.5959 12.1586 12.1586 12.9232 12.9232 13.6511 13.6511 14.5193 14.5193 k = 0.3519-0.2031 0.2873 ( 1908 PWs) bands (ev): -9.4873 -9.4873 -9.4710 -9.4710 -7.0095 -7.0095 -6.9281 -6.9281 -6.8768 -6.8768 -3.7235 -3.7235 1.3350 1.3350 4.9111 4.9111 5.3647 5.3647 5.5679 5.5679 12.2834 12.2834 12.8831 12.8831 13.7181 13.7181 14.5619 14.5619 k = 0.3611-0.2085 0.2948 ( 1908 PWs) bands (ev): -9.4879 -9.4879 -9.4708 -9.4708 -7.0132 -7.0132 -6.9282 -6.9282 -6.8753 -6.8753 -3.6756 -3.6756 1.3385 1.3385 4.7812 4.7812 5.3036 5.3036 5.5411 5.5411 12.4016 12.4016 12.8454 12.8454 13.7887 13.7887 14.6045 14.6045 k = 0.3704-0.2138 0.3024 ( 1908 PWs) bands (ev): -9.4886 -9.4886 -9.4706 -9.4706 -7.0168 -7.0168 -6.9283 -6.9283 -6.8739 -6.8739 -3.6290 -3.6290 1.3456 1.3456 4.6442 4.6442 5.2554 5.2554 5.5157 5.5157 12.5122 12.5122 12.8101 12.8101 13.8625 13.8625 14.6468 14.6468 k = 0.3796-0.2192 0.3100 ( 1904 PWs) bands (ev): -9.4892 -9.4892 -9.4704 -9.4704 -7.0203 -7.0203 -6.9283 -6.9283 -6.8725 -6.8725 -3.5843 -3.5843 1.3562 1.3562 4.5051 4.5051 5.2156 5.2156 5.4917 5.4917 12.6148 12.6148 12.7773 12.7773 13.9390 13.9390 14.6883 14.6883 k = 0.3889-0.2245 0.3175 ( 1896 PWs) bands (ev): -9.4898 -9.4898 -9.4702 -9.4702 -7.0235 -7.0235 -6.9284 -6.9284 -6.8713 -6.8713 -3.5415 -3.5415 1.3701 1.3701 4.3671 4.3671 5.1818 5.1818 5.4693 5.4693 12.7088 12.7088 12.7469 12.7469 14.0173 14.0173 14.7288 14.7288 k = 0.3981-0.2299 0.3251 ( 1900 PWs) bands (ev): -9.4904 -9.4904 -9.4700 -9.4700 -7.0266 -7.0266 -6.9284 -6.9284 -6.8701 -6.8701 -3.5010 -3.5010 1.3871 1.3871 4.2325 4.2325 5.1524 5.1524 5.4484 5.4484 12.7189 12.7189 12.7942 12.7942 14.0964 14.0964 14.7679 14.7679 k = 0.4074-0.2352 0.3326 ( 1896 PWs) bands (ev): -9.4910 -9.4910 -9.4698 -9.4698 -7.0294 -7.0294 -6.9284 -6.9284 -6.8689 -6.8689 -3.4631 -3.4631 1.4068 1.4068 4.1029 4.1029 5.1265 5.1265 5.4291 5.4291 12.6933 12.6933 12.8708 12.8708 14.1752 14.1752 14.8052 14.8052 k = 0.4167-0.2406 0.3402 ( 1904 PWs) bands (ev): -9.4915 -9.4915 -9.4697 -9.4697 -7.0321 -7.0321 -6.9285 -6.9285 -6.8679 -6.8679 -3.4279 -3.4279 1.4289 1.4289 3.9795 3.9795 5.1038 5.1038 5.4115 5.4115 12.6702 12.6702 12.9390 12.9390 14.2522 14.2522 14.8404 14.8404 k = 0.4259-0.2459 0.3478 ( 1896 PWs) bands (ev): -9.4920 -9.4920 -9.4695 -9.4695 -7.0344 -7.0344 -6.9285 -6.9285 -6.8670 -6.8670 -3.3957 -3.3957 1.4528 1.4528 3.8636 3.8636 5.0838 5.0838 5.3956 5.3956 12.6495 12.6495 12.9989 12.9989 14.3261 14.3261 14.8730 14.8730 k = 0.4352-0.2513 0.3553 ( 1896 PWs) bands (ev): -9.4925 -9.4925 -9.4694 -9.4694 -7.0366 -7.0366 -6.9285 -6.9285 -6.8662 -6.8662 -3.3667 -3.3667 1.4778 1.4778 3.7564 3.7564 5.0664 5.0664 5.3815 5.3815 12.6312 12.6312 13.0509 13.0509 14.3955 14.3955 14.9028 14.9028 k = 0.4444-0.2566 0.3629 ( 1900 PWs) bands (ev): -9.4929 -9.4929 -9.4693 -9.4693 -7.0384 -7.0384 -6.9286 -6.9286 -6.8655 -6.8655 -3.3411 -3.3411 1.5030 1.5030 3.6591 3.6591 5.0514 5.0514 5.3692 5.3692 12.6154 12.6154 13.0953 13.0953 14.4588 14.4588 14.9293 14.9293 k = 0.4537-0.2619 0.3704 ( 1900 PWs) bands (ev): -9.4932 -9.4932 -9.4692 -9.4692 -7.0400 -7.0400 -6.9286 -6.9286 -6.8648 -6.8648 -3.3192 -3.3192 1.5275 1.5275 3.5733 3.5733 5.0388 5.0388 5.3588 5.3588 12.6020 12.6020 13.1323 13.1323 14.5148 14.5148 14.9523 14.9523 k = 0.4630-0.2673 0.3780 ( 1900 PWs) bands (ev): -9.4935 -9.4935 -9.4691 -9.4691 -7.0414 -7.0414 -6.9286 -6.9286 -6.8643 -6.8643 -3.3010 -3.3010 1.5500 1.5500 3.5001 3.5001 5.0286 5.0286 5.3501 5.3501 12.5910 12.5910 13.1622 13.1622 14.5623 14.5623 14.9716 14.9716 k = 0.4722-0.2726 0.3856 ( 1888 PWs) bands (ev): -9.4937 -9.4937 -9.4691 -9.4691 -7.0424 -7.0424 -6.9286 -6.9286 -6.8639 -6.8639 -3.2867 -3.2867 1.5693 1.5693 3.4412 3.4412 5.0206 5.0206 5.3434 5.3434 12.5825 12.5825 13.1853 13.1853 14.6004 14.6004 14.9868 14.9868 k = 0.4815-0.2780 0.3931 ( 1888 PWs) bands (ev): -9.4938 -9.4938 -9.4690 -9.4690 -7.0431 -7.0431 -6.9286 -6.9286 -6.8637 -6.8637 -3.2764 -3.2764 1.5842 1.5842 3.3980 3.3980 5.0150 5.0150 5.3386 5.3386 12.5764 12.5764 13.2017 13.2017 14.6282 14.6282 14.9979 14.9979 k = 0.4907-0.2833 0.4007 ( 1876 PWs) bands (ev): -9.4939 -9.4939 -9.4690 -9.4690 -7.0436 -7.0436 -6.9286 -6.9286 -6.8635 -6.8635 -3.2702 -3.2702 1.5936 1.5936 3.3715 3.3715 5.0116 5.0116 5.3357 5.3357 12.5727 12.5727 13.2115 13.2115 14.6451 14.6451 15.0045 15.0045 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -9.4940 -9.4940 -9.4690 -9.4690 -7.0437 -7.0437 -6.9286 -6.9286 -6.8634 -6.8634 -3.2682 -3.2682 1.5968 1.5968 3.3625 3.3625 5.0104 5.0104 5.3348 5.3348 12.5715 12.5715 13.2148 13.2148 14.6508 14.6508 15.0068 15.0068 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -9.4940 -9.4940 -9.4690 -9.4690 -7.0437 -7.0437 -6.9286 -6.9286 -6.8634 -6.8634 -3.2682 -3.2682 1.5968 1.5968 3.3625 3.3625 5.0104 5.0104 5.3348 5.3348 12.5715 12.5715 13.2148 13.2148 14.6508 14.6508 15.0068 15.0068 k = 0.5000-0.2780 0.4158 ( 1882 PWs) bands (ev): -9.4939 -9.4939 -9.4690 -9.4690 -7.0436 -7.0436 -6.9286 -6.9286 -6.8635 -6.8635 -3.2681 -3.2681 1.5933 1.5933 3.3638 3.3638 5.0130 5.0130 5.3373 5.3373 12.5718 12.5718 13.2133 13.2133 14.6481 14.6481 15.0014 15.0014 k = 0.5000-0.2673 0.4234 ( 1886 PWs) bands (ev): -9.4939 -9.4939 -9.4690 -9.4690 -7.0433 -7.0433 -6.9286 -6.9286 -6.8636 -6.8636 -3.2679 -3.2679 1.5828 1.5828 3.3675 3.3675 5.0200 5.0200 5.3456 5.3456 12.5726 12.5726 13.2086 13.2086 14.6393 14.6393 14.9864 14.9864 k = 0.5000-0.2566 0.4309 ( 1886 PWs) bands (ev): -9.4938 -9.4938 -9.4690 -9.4690 -7.0428 -7.0428 -6.9285 -6.9285 -6.8639 -6.8639 -3.2675 -3.2675 1.5657 1.5657 3.3736 3.3736 5.0291 5.0291 5.3616 5.3616 12.5736 12.5736 13.2001 13.2001 14.6227 14.6227 14.9656 14.9656 k = 0.5000-0.2459 0.4385 ( 1898 PWs) bands (ev): -9.4936 -9.4936 -9.4690 -9.4690 -7.0421 -7.0421 -6.9284 -6.9284 -6.8643 -6.8643 -3.2671 -3.2671 1.5425 1.5425 3.3822 3.3822 5.0370 5.0370 5.3882 5.3882 12.5746 12.5746 13.1870 13.1870 14.5956 14.5956 14.9445 14.9445 k = 0.5000-0.2352 0.4460 ( 1898 PWs) bands (ev): -9.4934 -9.4934 -9.4690 -9.4690 -7.0413 -7.0413 -6.9282 -6.9282 -6.8648 -6.8648 -3.2665 -3.2665 1.5139 1.5139 3.3931 3.3931 5.0405 5.0405 5.4280 5.4280 12.5750 12.5750 13.1683 13.1683 14.5559 14.5559 14.9290 14.9290 k = 0.5000-0.2245 0.4536 ( 1902 PWs) bands (ev): -9.4932 -9.4932 -9.4690 -9.4690 -7.0402 -7.0402 -6.9280 -6.9280 -6.8655 -6.8655 -3.2658 -3.2658 1.4805 1.4805 3.4064 3.4064 5.0375 5.0375 5.4825 5.4825 12.5736 12.5736 13.1431 13.1431 14.5037 14.5037 14.9232 14.9232 k = 0.5000-0.2138 0.4612 ( 1896 PWs) bands (ev): -9.4929 -9.4929 -9.4691 -9.4691 -7.0390 -7.0390 -6.9278 -6.9278 -6.8662 -6.8662 -3.2649 -3.2649 1.4433 1.4433 3.4219 3.4219 5.0275 5.0275 5.5513 5.5513 12.5689 12.5689 13.1110 13.1110 14.4421 14.4421 14.9285 14.9285 k = 0.5000-0.2031 0.4687 ( 1904 PWs) bands (ev): -9.4926 -9.4926 -9.4691 -9.4691 -7.0377 -7.0377 -6.9275 -6.9275 -6.8670 -6.8670 -3.2640 -3.2640 1.4030 1.4030 3.4396 3.4396 5.0110 5.0110 5.6332 5.6332 12.5580 12.5580 13.0728 13.0728 14.3753 14.3753 14.9448 14.9448 k = 0.5000-0.1925 0.4763 ( 1894 PWs) bands (ev): -9.4923 -9.4923 -9.4691 -9.4691 -7.0362 -7.0362 -6.9271 -6.9271 -6.8680 -6.8680 -3.2630 -3.2630 1.3604 1.3604 3.4595 3.4595 4.9890 4.9890 5.7266 5.7266 12.5368 12.5368 13.0314 13.0314 14.3075 14.3075 14.9716 14.9716 k = 0.5000-0.1818 0.4838 ( 1892 PWs) bands (ev): -9.4919 -9.4919 -9.4691 -9.4691 -7.0347 -7.0347 -6.9268 -6.9268 -6.8690 -6.8690 -3.2619 -3.2619 1.3164 1.3164 3.4815 3.4815 4.9622 4.9622 5.8299 5.8299 12.4995 12.4995 12.9920 12.9920 14.2415 14.2415 15.0084 15.0084 k = 0.5000-0.1711 0.4914 ( 1888 PWs) bands (ev): -9.4916 -9.4916 -9.4692 -9.4692 -7.0330 -7.0330 -6.9263 -6.9263 -6.8701 -6.8701 -3.2607 -3.2607 1.2716 1.2716 3.5056 3.5056 4.9314 4.9314 5.9415 5.9415 12.4404 12.4404 12.9607 12.9607 14.1792 14.1792 15.0550 15.0550 k = 0.5000-0.1604 0.4990 ( 1892 PWs) bands (ev): -9.4912 -9.4912 -9.4692 -9.4692 -7.0313 -7.0313 -6.9258 -6.9258 -6.8713 -6.8713 -3.2595 -3.2595 1.2267 1.2267 3.5316 3.5316 4.8973 4.8973 6.0602 6.0602 12.3568 12.3568 12.9416 12.9416 14.1209 14.1209 15.1110 15.1110 k = 0.5000-0.1497 0.5065 ( 1890 PWs) bands (ev): -9.4908 -9.4908 -9.4692 -9.4692 -7.0295 -7.0295 -6.9252 -6.9252 -6.8727 -6.8727 -3.2583 -3.2583 1.1823 1.1823 3.5595 3.5595 4.8603 4.8603 6.1847 6.1847 12.2503 12.2503 12.9350 12.9350 14.0666 14.0666 15.1762 15.1762 k = 0.5000-0.1390 0.5141 ( 1890 PWs) bands (ev): -9.4904 -9.4904 -9.4692 -9.4692 -7.0277 -7.0277 -6.9246 -6.9246 -6.8740 -6.8740 -3.2570 -3.2570 1.1389 1.1389 3.5892 3.5892 4.8209 4.8209 6.3139 6.3139 12.1254 12.1254 12.9389 12.9389 14.0155 14.0155 15.2503 15.2503 k = 0.5000-0.1283 0.5217 ( 1892 PWs) bands (ev): -9.4900 -9.4900 -9.4693 -9.4693 -7.0259 -7.0259 -6.9239 -6.9239 -6.8755 -6.8755 -3.2557 -3.2557 1.0971 1.0971 3.6206 3.6206 4.7795 4.7795 6.4465 6.4465 11.9872 11.9872 12.9508 12.9508 13.9668 13.9668 15.3327 15.3327 k = 0.5000-0.1176 0.5292 ( 1892 PWs) bands (ev): -9.4896 -9.4896 -9.4693 -9.4693 -7.0242 -7.0242 -6.9231 -6.9231 -6.8770 -6.8770 -3.2545 -3.2545 1.0572 1.0572 3.6536 3.6536 4.7364 4.7364 6.5814 6.5814 11.8401 11.8401 12.9685 12.9685 13.9200 13.9200 15.4231 15.4231 k = 0.5000-0.1069 0.5368 ( 1892 PWs) bands (ev): -9.4892 -9.4892 -9.4693 -9.4693 -7.0225 -7.0225 -6.9223 -6.9223 -6.8786 -6.8786 -3.2533 -3.2533 1.0196 1.0196 3.6880 3.6880 4.6921 4.6921 6.7172 6.7172 11.6880 11.6880 12.9907 12.9907 13.8744 13.8744 15.5208 15.5208 k = 0.5000-0.0962 0.5443 ( 1892 PWs) bands (ev): -9.4889 -9.4889 -9.4694 -9.4694 -7.0208 -7.0208 -6.9214 -6.9214 -6.8801 -6.8801 -3.2521 -3.2521 0.9847 0.9847 3.7237 3.7237 4.6469 4.6469 6.8524 6.8524 11.5343 11.5343 13.0163 13.0163 13.8297 13.8297 15.6252 15.6252 k = 0.5000-0.0855 0.5519 ( 1896 PWs) bands (ev): -9.4885 -9.4885 -9.4694 -9.4694 -7.0193 -7.0193 -6.9204 -6.9204 -6.8817 -6.8817 -3.2510 -3.2510 0.9528 0.9528 3.7604 3.7604 4.6013 4.6013 6.9854 6.9854 11.3821 11.3821 13.0445 13.0445 13.7858 13.7858 15.7356 15.7356 k = 0.5000-0.0748 0.5595 ( 1896 PWs) bands (ev): -9.4882 -9.4882 -9.4694 -9.4694 -7.0179 -7.0179 -6.9194 -6.9194 -6.8833 -6.8833 -3.2500 -3.2500 0.9241 0.9241 3.7978 3.7978 4.5556 4.5556 7.1140 7.1140 11.2346 11.2346 13.0746 13.0746 13.7427 13.7427 15.8512 15.8512 k = 0.5000-0.0642 0.5670 ( 1892 PWs) bands (ev): -9.4879 -9.4879 -9.4695 -9.4695 -7.0167 -7.0167 -6.9184 -6.9184 -6.8848 -6.8848 -3.2491 -3.2491 0.8987 0.8987 3.8354 3.8354 4.5105 4.5105 7.2361 7.2361 11.0950 11.0950 13.1060 13.1060 13.7007 13.7007 15.9709 15.9709 k = 0.5000-0.0535 0.5746 ( 1892 PWs) bands (ev): -9.4877 -9.4877 -9.4695 -9.4695 -7.0156 -7.0156 -6.9174 -6.9174 -6.8863 -6.8863 -3.2483 -3.2483 0.8770 0.8770 3.8727 3.8727 4.4668 4.4668 7.3485 7.3485 10.9668 10.9668 13.1378 13.1378 13.6601 13.6601 16.0935 16.0935 k = 0.5000-0.0428 0.5821 ( 1888 PWs) bands (ev): -9.4875 -9.4875 -9.4695 -9.4695 -7.0146 -7.0146 -6.9165 -6.9165 -6.8876 -6.8876 -3.2477 -3.2477 0.8591 0.8591 3.9087 3.9087 4.4254 4.4254 7.4482 7.4482 10.8536 10.8536 13.1691 13.1691 13.6219 13.6219 16.2167 16.2167 k = 0.5000-0.0321 0.5897 ( 1892 PWs) bands (ev): -9.4873 -9.4873 -9.4695 -9.4695 -7.0139 -7.0139 -6.9157 -6.9157 -6.8887 -6.8887 -3.2471 -3.2471 0.8450 0.8450 3.9419 3.9419 4.3879 4.3879 7.5315 7.5315 10.7595 10.7595 13.1985 13.1985 13.5872 13.5872 16.3369 16.3369 k = 0.5000-0.0214 0.5973 ( 1892 PWs) bands (ev): -9.4872 -9.4872 -9.4696 -9.4696 -7.0134 -7.0134 -6.9151 -6.9151 -6.8896 -6.8896 -3.2467 -3.2467 0.8348 0.8348 3.9698 3.9698 4.3569 4.3569 7.5946 7.5946 10.6886 10.6886 13.2235 13.2235 13.5584 13.5584 16.4468 16.4468 k = 0.5000-0.0107 0.6048 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0131 -7.0131 -6.9146 -6.9146 -6.8901 -6.8901 -3.2465 -3.2465 0.8287 0.8287 3.9891 3.9891 4.3357 4.3357 7.6340 7.6340 10.6443 10.6443 13.2411 13.2411 13.5386 13.5386 16.5313 16.5313 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0130 -7.0130 -6.9145 -6.9145 -6.8903 -6.8903 -3.2464 -3.2464 0.8267 0.8267 3.9961 3.9961 4.3281 4.3281 7.6475 7.6475 10.6292 10.6292 13.2476 13.2476 13.5314 13.5314 16.5650 16.5650 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0130 -7.0130 -6.9145 -6.9145 -6.8903 -6.8903 -3.2464 -3.2464 0.8267 0.8267 3.9961 3.9961 4.3281 4.3281 7.6475 7.6475 10.6292 10.6292 13.2476 13.2476 13.5314 13.5314 16.5650 16.5650 k = 0.4934 0.0114 0.6124 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0130 -7.0130 -6.9146 -6.9146 -6.8902 -6.8902 -3.2469 -3.2469 0.8264 0.8264 3.9942 3.9942 4.3343 4.3343 7.6405 7.6405 10.6358 10.6358 13.2427 13.2427 13.5350 13.5350 16.5468 16.5468 k = 0.4868 0.0228 0.6124 ( 1896 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0129 -7.0129 -6.9148 -6.9148 -6.8900 -6.8900 -3.2483 -3.2483 0.8257 0.8257 3.9881 3.9881 4.3536 4.3536 7.6197 7.6197 10.6555 10.6555 13.2288 13.2288 13.5454 13.5454 16.4957 16.4957 k = 0.4803 0.0342 0.6124 ( 1896 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0129 -7.0129 -6.9152 -6.9152 -6.8896 -6.8896 -3.2504 -3.2504 0.8243 0.8243 3.9776 3.9776 4.3859 4.3859 7.5851 7.5851 10.6879 10.6879 13.2073 13.2073 13.5616 13.5616 16.4206 16.4206 k = 0.4737 0.0456 0.6124 ( 1898 PWs) bands (ev): -9.4871 -9.4871 -9.4695 -9.4695 -7.0128 -7.0128 -6.9157 -6.9157 -6.8890 -6.8890 -3.2531 -3.2531 0.8225 0.8225 3.9636 3.9636 4.4300 4.4300 7.5374 7.5374 10.7322 10.7322 13.1806 13.1806 13.5817 13.5817 16.3292 16.3292 k = 0.4671 0.0570 0.6124 ( 1892 PWs) bands (ev): -9.4872 -9.4872 -9.4695 -9.4695 -7.0128 -7.0128 -6.9163 -6.9163 -6.8884 -6.8884 -3.2563 -3.2563 0.8201 0.8201 3.9473 3.9473 4.4845 4.4845 7.4775 7.4775 10.7873 10.7873 13.1504 13.1504 13.6044 13.6044 16.2271 16.2271 k = 0.4605 0.0684 0.6124 ( 1891 PWs) bands (ev): -9.4872 -9.4872 -9.4695 -9.4695 -7.0127 -7.0127 -6.9170 -6.9170 -6.8877 -6.8877 -3.2599 -3.2599 0.8173 0.8173 3.9299 3.9299 4.5481 4.5481 7.4066 7.4066 10.8516 10.8516 13.1184 13.1184 13.6285 13.6285 16.1179 16.1179 k = 0.4539 0.0798 0.6124 ( 1897 PWs) bands (ev): -9.4872 -9.4872 -9.4695 -9.4695 -7.0126 -7.0126 -6.9177 -6.9177 -6.8869 -6.8869 -3.2637 -3.2637 0.8142 0.8142 3.9121 3.9121 4.6195 4.6195 7.3260 7.3260 10.9236 10.9236 13.0856 13.0856 13.6531 13.6531 16.0042 16.0042 k = 0.4474 0.0912 0.6124 ( 1895 PWs) bands (ev): -9.4873 -9.4873 -9.4695 -9.4695 -7.0125 -7.0125 -6.9185 -6.9185 -6.8861 -6.8861 -3.2676 -3.2676 0.8108 0.8108 3.8946 3.8946 4.6979 4.6979 7.2370 7.2370 11.0014 11.0014 13.0529 13.0529 13.6779 13.6779 15.8879 15.8879 k = 0.4408 0.1026 0.6124 ( 1891 PWs) bands (ev): -9.4873 -9.4873 -9.4694 -9.4694 -7.0124 -7.0124 -6.9192 -6.9192 -6.8853 -6.8853 -3.2715 -3.2715 0.8072 0.8072 3.8778 3.8778 4.7822 4.7822 7.1410 7.1410 11.0832 11.0832 13.0210 13.0210 13.7023 13.7023 15.7710 15.7710 k = 0.4342 0.1140 0.6124 ( 1891 PWs) bands (ev): -9.4873 -9.4873 -9.4694 -9.4694 -7.0124 -7.0124 -6.9200 -6.9200 -6.8846 -6.8846 -3.2753 -3.2753 0.8036 0.8036 3.8620 3.8620 4.8718 4.8718 7.0393 7.0393 11.1672 11.1672 12.9904 12.9904 13.7262 13.7262 15.6553 15.6553 k = 0.4276 0.1253 0.6124 ( 1893 PWs) bands (ev): -9.4874 -9.4874 -9.4694 -9.4694 -7.0123 -7.0123 -6.9207 -6.9207 -6.8838 -6.8838 -3.2790 -3.2790 0.8000 0.8000 3.8475 3.8475 4.9659 4.9659 6.9331 6.9331 11.2512 11.2512 12.9614 12.9614 13.7492 13.7492 15.5426 15.5426 k = 0.4211 0.1367 0.6124 ( 1893 PWs) bands (ev): -9.4874 -9.4874 -9.4694 -9.4694 -7.0122 -7.0122 -6.9213 -6.9213 -6.8831 -6.8831 -3.2824 -3.2824 0.7966 0.7966 3.8344 3.8344 5.0636 5.0636 6.8237 6.8237 11.3332 11.3332 12.9345 12.9345 13.7712 13.7712 15.4348 15.4348 k = 0.4145 0.1481 0.6124 ( 1893 PWs) bands (ev): -9.4874 -9.4874 -9.4693 -9.4693 -7.0121 -7.0121 -6.9219 -6.9219 -6.8825 -6.8825 -3.2855 -3.2855 0.7935 0.7935 3.8229 3.8229 5.1639 5.1639 6.7125 6.7125 11.4112 11.4112 12.9100 12.9100 13.7920 13.7920 15.3340 15.3340 k = 0.4079 0.1595 0.6124 ( 1887 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0120 -7.0120 -6.9224 -6.9224 -6.8820 -6.8820 -3.2883 -3.2883 0.7907 0.7907 3.8130 3.8130 5.2655 5.2655 6.6011 6.6011 11.4827 11.4827 12.8881 12.8881 13.8112 13.8112 15.2425 15.2425 k = 0.4013 0.1709 0.6124 ( 1889 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0120 -7.0120 -6.9229 -6.9229 -6.8815 -6.8815 -3.2906 -3.2906 0.7883 0.7883 3.8048 3.8048 5.3665 5.3665 6.4918 6.4918 11.5457 11.5457 12.8694 12.8694 13.8283 13.8283 15.1627 15.1627 k = 0.3947 0.1823 0.6124 ( 1893 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9232 -6.9232 -6.8811 -6.8811 -3.2924 -3.2924 0.7863 0.7863 3.7984 3.7984 5.4635 5.4635 6.3880 6.3880 11.5977 11.5977 12.8541 12.8541 13.8428 13.8428 15.0971 15.0971 k = 0.3882 0.1937 0.6124 ( 1893 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9235 -6.9235 -6.8809 -6.8809 -3.2937 -3.2937 0.7849 0.7849 3.7938 3.7938 5.5506 5.5506 6.2961 6.2961 11.6366 11.6366 12.8428 12.8428 13.8539 13.8539 15.0480 15.0480 k = 0.3816 0.2051 0.6124 ( 1891 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9236 -6.9236 -6.8807 -6.8807 -3.2945 -3.2945 0.7840 0.7840 3.7910 3.7910 5.6159 5.6159 6.2278 6.2278 11.6608 11.6608 12.8358 12.8358 13.8610 13.8610 15.0176 15.0176 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9237 -6.9237 -6.8806 -6.8806 -3.2948 -3.2948 0.7838 0.7838 3.7901 3.7901 5.6413 5.6413 6.2014 6.2014 11.6690 11.6690 12.8334 12.8334 13.8634 13.8634 15.0073 15.0073 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9237 -6.9237 -6.8806 -6.8806 -3.2948 -3.2948 0.7838 0.7838 3.7901 3.7901 5.6413 5.6413 6.2014 6.2014 11.6690 11.6690 12.8334 12.8334 13.8634 13.8634 15.0073 15.0073 k = 0.3684 0.2127 0.6016 ( 1890 PWs) bands (ev): -9.4870 -9.4870 -9.4693 -9.4693 -7.0090 -7.0090 -6.9233 -6.9233 -6.8821 -6.8821 -3.3038 -3.3038 0.7335 0.7335 3.8341 3.8341 5.6953 5.6953 6.2821 6.2821 11.5649 11.5649 12.7411 12.7411 13.8101 13.8101 15.1290 15.1290 k = 0.3618 0.2089 0.5909 ( 1886 PWs) bands (ev): -9.4865 -9.4865 -9.4693 -9.4693 -7.0060 -7.0060 -6.9229 -6.9229 -6.8836 -6.8836 -3.3144 -3.3144 0.6861 0.6861 3.8800 3.8800 5.7509 5.7509 6.3645 6.3645 11.4590 11.4590 12.6440 12.6440 13.7572 13.7572 15.2630 15.2630 k = 0.3553 0.2051 0.5801 ( 1892 PWs) bands (ev): -9.4861 -9.4861 -9.4693 -9.4693 -7.0030 -7.0030 -6.9225 -6.9225 -6.8851 -6.8851 -3.3268 -3.3268 0.6419 0.6419 3.9276 3.9276 5.8077 5.8077 6.4485 6.4485 11.3519 11.3519 12.5438 12.5438 13.7047 13.7047 15.4077 15.4077 k = 0.3487 0.2013 0.5694 ( 1896 PWs) bands (ev): -9.4856 -9.4856 -9.4692 -9.4692 -7.0000 -7.0000 -6.9221 -6.9221 -6.8866 -6.8866 -3.3411 -3.3411 0.6014 0.6014 3.9770 3.9770 5.8659 5.8659 6.5339 6.5339 11.2440 11.2440 12.4418 12.4418 13.6526 13.6526 15.5620 15.5620 k = 0.3421 0.1975 0.5587 ( 1896 PWs) bands (ev): -9.4851 -9.4851 -9.4692 -9.4692 -6.9969 -6.9969 -6.9217 -6.9217 -6.8880 -6.8880 -3.3574 -3.3574 0.5648 0.5648 4.0280 4.0280 5.9252 5.9252 6.6206 6.6206 11.1355 11.1355 12.3391 12.3391 13.6010 13.6010 15.7250 15.7250 k = 0.3355 0.1937 0.5479 ( 1896 PWs) bands (ev): -9.4847 -9.4847 -9.4692 -9.4692 -6.9939 -6.9939 -6.9214 -6.9214 -6.8894 -6.8894 -3.3758 -3.3758 0.5324 0.5324 4.0807 4.0807 5.9854 5.9854 6.7085 6.7085 11.0270 11.0270 12.2366 12.2366 13.5501 13.5501 15.8957 15.8957 k = 0.3289 0.1899 0.5372 ( 1896 PWs) bands (ev): -9.4843 -9.4843 -9.4692 -9.4692 -6.9909 -6.9909 -6.9210 -6.9210 -6.8908 -6.8908 -3.3964 -3.3964 0.5044 0.5044 4.1348 4.1348 6.0464 6.0464 6.7974 6.7974 10.9186 10.9186 12.1353 12.1353 13.5000 13.5000 16.0733 16.0733 k = 0.3224 0.1861 0.5264 ( 1896 PWs) bands (ev): -9.4839 -9.4839 -9.4692 -9.4692 -6.9878 -6.9878 -6.9207 -6.9207 -6.8921 -6.8921 -3.4192 -3.4192 0.4811 0.4811 4.1904 4.1904 6.1079 6.1079 6.8874 6.8874 10.8108 10.8108 12.0357 12.0357 13.4509 13.4509 16.2570 16.2570 k = 0.3158 0.1823 0.5157 ( 1890 PWs) bands (ev): -9.4835 -9.4835 -9.4692 -9.4692 -6.9849 -6.9849 -6.9205 -6.9205 -6.8934 -6.8934 -3.4443 -3.4443 0.4627 0.4627 4.2474 4.2474 6.1696 6.1696 6.9781 6.9781 10.7037 10.7037 11.9386 11.9386 13.4030 13.4030 16.4459 16.4459 k = 0.3092 0.1785 0.5049 ( 1891 PWs) bands (ev): -9.4832 -9.4832 -9.4692 -9.4692 -6.9819 -6.9819 -6.9202 -6.9202 -6.8946 -6.8946 -3.4717 -3.4717 0.4492 0.4492 4.3056 4.3056 6.2314 6.2314 7.0696 7.0696 10.5978 10.5978 11.8446 11.8446 13.3564 13.3564 16.6389 16.6389 k = 0.3026 0.1747 0.4942 ( 1899 PWs) bands (ev): -9.4828 -9.4828 -9.4691 -9.4691 -6.9791 -6.9791 -6.9200 -6.9200 -6.8958 -6.8958 -3.5012 -3.5012 0.4407 0.4407 4.3650 4.3650 6.2929 6.2929 7.1615 7.1615 10.4933 10.4933 11.7543 11.7543 13.3113 13.3113 16.8347 16.8347 k = 0.2961 0.1709 0.4835 ( 1903 PWs) bands (ev): -9.4825 -9.4825 -9.4691 -9.4691 -6.9763 -6.9763 -6.9199 -6.9199 -6.8969 -6.8969 -3.5330 -3.5330 0.4373 0.4373 4.4255 4.4255 6.3538 6.3538 7.2538 7.2538 10.3906 10.3906 11.6683 11.6683 13.2679 13.2679 17.0308 17.0308 k = 0.2895 0.1671 0.4727 ( 1899 PWs) bands (ev): -9.4823 -9.4823 -9.4691 -9.4691 -6.9735 -6.9735 -6.9198 -6.9198 -6.8979 -6.8979 -3.5668 -3.5668 0.4389 0.4389 4.4869 4.4869 6.4137 6.4137 7.3462 7.3462 10.2899 10.2899 11.5871 11.5871 13.2264 13.2264 17.2221 17.2221 k = 0.2829 0.1633 0.4620 ( 1899 PWs) bands (ev): -9.4820 -9.4820 -9.4691 -9.4691 -6.9708 -6.9708 -6.9197 -6.9197 -6.8989 -6.8989 -3.6026 -3.6026 0.4457 0.4457 4.5493 4.5493 6.4722 6.4722 7.4384 7.4384 10.1918 10.1918 11.5113 11.5113 13.1869 13.1869 17.3883 17.3883 k = 0.2763 0.1595 0.4512 ( 1895 PWs) bands (ev): -9.4818 -9.4818 -9.4691 -9.4691 -6.9683 -6.9683 -6.9196 -6.9196 -6.8998 -6.8998 -3.6403 -3.6403 0.4575 0.4575 4.6124 4.6124 6.5290 6.5290 7.5298 7.5298 10.0967 10.0967 11.4415 11.4415 13.1496 13.1496 17.3508 17.3508 k = 0.2697 0.1557 0.4405 ( 1895 PWs) bands (ev): -9.4815 -9.4815 -9.4692 -9.4692 -6.9658 -6.9658 -6.9196 -6.9196 -6.9006 -6.9006 -3.6797 -3.6797 0.4742 0.4742 4.6762 4.6762 6.5836 6.5836 7.6202 7.6202 10.0051 10.0051 11.3783 11.3783 13.1147 13.1147 17.2617 17.2617 k = 0.2632 0.1519 0.4297 ( 1899 PWs) bands (ev): -9.4813 -9.4813 -9.4692 -9.4692 -6.9634 -6.9634 -6.9197 -6.9197 -6.9014 -6.9014 -3.7206 -3.7206 0.4957 0.4957 4.7406 4.7406 6.6355 6.6355 7.7087 7.7087 9.9177 9.9177 11.3223 11.3223 13.0823 13.0823 17.1731 17.1731 k = 0.2566 0.1481 0.4190 ( 1903 PWs) bands (ev): -9.4812 -9.4812 -9.4692 -9.4692 -6.9611 -6.9611 -6.9197 -6.9197 -6.9021 -6.9021 -3.7630 -3.7630 0.5218 0.5218 4.8053 4.8053 6.6844 6.6844 7.7944 7.7944 9.8356 9.8356 11.2739 11.2739 13.0527 13.0527 17.0863 17.0863 k = 0.2500 0.1443 0.4082 ( 1915 PWs) bands (ev): -9.4810 -9.4810 -9.4693 -9.4693 -6.9588 -6.9588 -6.9198 -6.9198 -6.9027 -6.9027 -3.8065 -3.8065 0.5526 0.5526 4.8704 4.8704 6.7298 6.7298 7.8762 7.8762 9.7597 9.7597 11.2338 11.2338 13.0261 13.0261 17.0016 17.0016 k = 0.2434 0.1405 0.3975 ( 1905 PWs) bands (ev): -9.4809 -9.4809 -9.4694 -9.4694 -6.9567 -6.9567 -6.9199 -6.9199 -6.9033 -6.9033 -3.8511 -3.8511 0.5876 0.5876 4.9356 4.9356 6.7712 6.7712 7.9527 7.9527 9.6918 9.6918 11.2026 11.2026 13.0025 13.0025 16.9189 16.9189 k = 0.2368 0.1367 0.3868 ( 1905 PWs) bands (ev): -9.4807 -9.4807 -9.4695 -9.4695 -6.9547 -6.9547 -6.9201 -6.9201 -6.9039 -6.9039 -3.8965 -3.8965 0.6269 0.6269 5.0009 5.0009 6.8084 6.8084 8.0218 8.0218 9.6336 9.6336 11.1805 11.1805 12.9821 12.9821 16.8385 16.8385 k = 0.2303 0.1329 0.3760 ( 1903 PWs) bands (ev): -9.4806 -9.4806 -9.4696 -9.4696 -6.9528 -6.9528 -6.9202 -6.9202 -6.9045 -6.9045 -3.9426 -3.9426 0.6702 0.6702 5.0661 5.0661 6.8409 6.8409 8.0813 8.0813 9.5874 9.5874 11.1681 11.1681 12.9653 12.9653 16.7602 16.7602 k = 0.2237 0.1291 0.3653 ( 1903 PWs) bands (ev): -9.4805 -9.4805 -9.4698 -9.4698 -6.9510 -6.9510 -6.9204 -6.9204 -6.9050 -6.9050 -3.9891 -3.9891 0.7173 0.7173 5.1310 5.1310 6.8685 6.8685 8.1286 8.1286 9.5558 9.5558 11.1658 11.1658 12.9520 12.9520 16.6841 16.6841 k = 0.2171 0.1253 0.3545 ( 1905 PWs) bands (ev): -9.4804 -9.4804 -9.4699 -9.4699 -6.9492 -6.9492 -6.9206 -6.9206 -6.9055 -6.9055 -4.0359 -4.0359 0.7680 0.7680 5.1956 5.1956 6.8911 6.8911 8.1612 8.1612 9.5411 9.5411 11.1736 11.1736 12.9425 12.9425 16.6102 16.6102 k = 0.2105 0.1215 0.3438 ( 1905 PWs) bands (ev): -9.4803 -9.4803 -9.4701 -9.4701 -6.9476 -6.9476 -6.9208 -6.9208 -6.9061 -6.9061 -4.0828 -4.0828 0.8221 0.8221 5.2596 5.2596 6.9085 6.9085 8.1774 8.1774 9.5451 9.5451 11.1919 11.1919 12.9369 12.9369 16.5385 16.5385 k = 0.2039 0.1177 0.3330 ( 1897 PWs) bands (ev): -9.4802 -9.4802 -9.4703 -9.4703 -6.9460 -6.9460 -6.9210 -6.9210 -6.9066 -6.9066 -4.1297 -4.1297 0.8794 0.8794 5.3230 5.3230 6.9207 6.9207 8.1766 8.1766 9.5683 9.5683 11.2205 11.2205 12.9354 12.9354 16.4690 16.4690 k = 0.1974 0.1140 0.3223 ( 1895 PWs) bands (ev): -9.4801 -9.4801 -9.4706 -9.4706 -6.9445 -6.9445 -6.9212 -6.9212 -6.9071 -6.9071 -4.1763 -4.1763 0.9397 0.9397 5.3855 5.3855 6.9279 6.9279 8.1595 8.1595 9.6099 9.6099 11.2595 11.2595 12.9382 12.9382 16.4017 16.4017 k = 0.1908 0.1102 0.3116 ( 1901 PWs) bands (ev): -9.4801 -9.4801 -9.4708 -9.4708 -6.9431 -6.9431 -6.9214 -6.9214 -6.9077 -6.9077 -4.2225 -4.2225 1.0027 1.0027 5.4470 5.4470 6.9302 6.9302 8.1280 8.1280 9.6680 9.6680 11.3086 11.3086 12.9453 12.9453 16.3365 16.3365 k = 0.1842 0.1064 0.3008 ( 1901 PWs) bands (ev): -9.4800 -9.4800 -9.4711 -9.4711 -6.9418 -6.9418 -6.9216 -6.9216 -6.9082 -6.9082 -4.2683 -4.2683 1.0683 1.0683 5.5074 5.5074 6.9279 6.9279 8.0846 8.0846 9.7400 9.7400 11.3677 11.3677 12.9570 12.9570 16.2736 16.2736 k = 0.1776 0.1026 0.2901 ( 1899 PWs) bands (ev): -9.4799 -9.4799 -9.4714 -9.4714 -6.9405 -6.9405 -6.9218 -6.9218 -6.9088 -6.9088 -4.3133 -4.3133 1.1363 1.1363 5.5666 5.5666 6.9214 6.9214 8.0316 8.0316 9.8234 9.8234 11.4363 11.4363 12.9734 12.9734 16.2128 16.2128 k = 0.1711 0.0988 0.2793 ( 1903 PWs) bands (ev): -9.4799 -9.4799 -9.4717 -9.4717 -6.9392 -6.9392 -6.9221 -6.9221 -6.9094 -6.9094 -4.3576 -4.3576 1.2064 1.2064 5.6243 5.6243 6.9111 6.9111 7.9712 7.9712 9.9158 9.9158 11.5140 11.5140 12.9946 12.9946 16.1541 16.1541 k = 0.1645 0.0950 0.2686 ( 1907 PWs) bands (ev): -9.4798 -9.4798 -9.4720 -9.4720 -6.9380 -6.9380 -6.9224 -6.9224 -6.9100 -6.9100 -4.4010 -4.4010 1.2783 1.2783 5.6804 5.6804 6.8973 6.8973 7.9054 7.9054 10.0155 10.0155 11.6004 11.6004 13.0207 13.0207 16.0975 16.0975 k = 0.1579 0.0912 0.2578 ( 1907 PWs) bands (ev): -9.4797 -9.4797 -9.4723 -9.4723 -6.9369 -6.9369 -6.9226 -6.9226 -6.9106 -6.9106 -4.4434 -4.4434 1.3519 1.3519 5.7348 5.7348 6.8806 6.8806 7.8354 7.8354 10.1207 10.1207 11.6950 11.6950 13.0519 13.0519 16.0429 16.0429 k = 0.1513 0.0874 0.2471 ( 1907 PWs) bands (ev): -9.4797 -9.4797 -9.4727 -9.4727 -6.9358 -6.9358 -6.9229 -6.9229 -6.9113 -6.9113 -4.4846 -4.4846 1.4270 1.4270 5.7873 5.7873 6.8613 6.8613 7.7625 7.7625 10.2302 10.2302 11.7974 11.7974 13.0881 13.0881 15.9903 15.9903 k = 0.1447 0.0836 0.2364 ( 1911 PWs) bands (ev): -9.4796 -9.4796 -9.4731 -9.4731 -6.9347 -6.9347 -6.9233 -6.9233 -6.9119 -6.9119 -4.5246 -4.5246 1.5032 1.5032 5.8378 5.8378 6.8401 6.8401 7.6876 7.6876 10.3429 10.3429 11.9069 11.9069 13.1295 13.1295 15.9395 15.9395 k = 0.1382 0.0798 0.2256 ( 1907 PWs) bands (ev): -9.4796 -9.4796 -9.4734 -9.4734 -6.9337 -6.9337 -6.9236 -6.9236 -6.9126 -6.9126 -4.5634 -4.5634 1.5803 1.5803 5.8861 5.8861 6.8172 6.8172 7.6115 7.6115 10.4580 10.4580 12.0231 12.0231 13.1761 13.1761 15.8904 15.8904 k = 0.1316 0.0760 0.2149 ( 1907 PWs) bands (ev): -9.4795 -9.4795 -9.4738 -9.4738 -6.9327 -6.9327 -6.9240 -6.9240 -6.9133 -6.9133 -4.6007 -4.6007 1.6580 1.6580 5.9321 5.9321 6.7932 6.7932 7.5346 7.5346 10.5747 10.5747 12.1455 12.1455 13.2280 13.2280 15.8426 15.8426 k = 0.1250 0.0722 0.2041 ( 1907 PWs) bands (ev): -9.4795 -9.4795 -9.4742 -9.4742 -6.9317 -6.9317 -6.9243 -6.9243 -6.9139 -6.9139 -4.6366 -4.6366 1.7360 1.7360 5.9756 5.9756 6.7686 6.7686 7.4576 7.4576 10.6922 10.6922 12.2736 12.2736 13.2851 13.2851 15.7960 15.7960 k = 0.1184 0.0684 0.1934 ( 1907 PWs) bands (ev): -9.4794 -9.4794 -9.4746 -9.4746 -6.9308 -6.9308 -6.9247 -6.9247 -6.9146 -6.9146 -4.6710 -4.6710 1.8141 1.8141 6.0164 6.0164 6.7436 6.7436 7.3809 7.3809 10.8098 10.8098 12.4069 12.4069 13.3474 13.3474 15.7505 15.7505 k = 0.1118 0.0646 0.1826 ( 1899 PWs) bands (ev): -9.4794 -9.4794 -9.4749 -9.4749 -6.9299 -6.9299 -6.9252 -6.9252 -6.9153 -6.9153 -4.7038 -4.7038 1.8919 1.8919 6.0545 6.0545 6.7187 6.7187 7.3051 7.3051 10.9270 10.9270 12.5449 12.5449 13.4148 13.4148 15.7065 15.7065 k = 0.1053 0.0608 0.1719 ( 1899 PWs) bands (ev): -9.4793 -9.4793 -9.4753 -9.4753 -6.9291 -6.9291 -6.9256 -6.9256 -6.9159 -6.9159 -4.7350 -4.7350 1.9691 1.9691 6.0895 6.0895 6.6944 6.6944 7.2304 7.2304 11.0430 11.0430 12.6870 12.6870 13.4871 13.4871 15.6645 15.6645 k = 0.0987 0.0570 0.1612 ( 1895 PWs) bands (ev): -9.4793 -9.4793 -9.4757 -9.4757 -6.9282 -6.9282 -6.9260 -6.9260 -6.9166 -6.9166 -4.7645 -4.7645 2.0453 2.0453 6.1213 6.1213 6.6709 6.6709 7.1574 7.1574 11.1573 11.1573 12.8328 12.8328 13.5642 13.5642 15.6251 15.6251 k = 0.0921 0.0532 0.1504 ( 1901 PWs) bands (ev): -9.4793 -9.4793 -9.4761 -9.4761 -6.9275 -6.9275 -6.9264 -6.9264 -6.9172 -6.9172 -4.7922 -4.7922 2.1200 2.1200 6.1495 6.1495 6.6488 6.6488 7.0866 7.0866 11.2691 11.2691 12.9816 12.9816 13.6459 13.6459 15.5888 15.5888 k = 0.0855 0.0494 0.1397 ( 1901 PWs) bands (ev): -9.4792 -9.4792 -9.4764 -9.4764 -6.9272 -6.9272 -6.9265 -6.9265 -6.9178 -6.9178 -4.8182 -4.8182 2.1930 2.1930 6.1740 6.1740 6.6283 6.6283 7.0183 7.0183 11.3778 11.3778 13.1330 13.1330 13.7316 13.7316 15.5558 15.5559 k = 0.0789 0.0456 0.1289 ( 1897 PWs) bands (ev): -9.4792 -9.4792 -9.4768 -9.4768 -6.9275 -6.9275 -6.9259 -6.9259 -6.9183 -6.9183 -4.8424 -4.8424 2.2637 2.2637 6.1944 6.1944 6.6100 6.6100 6.9532 6.9532 11.4826 11.4826 13.2861 13.2861 13.8211 13.8211 15.5264 15.5264 k = 0.0724 0.0418 0.1182 ( 1899 PWs) bands (ev): -9.4792 -9.4792 -9.4771 -9.4771 -6.9280 -6.9280 -6.9253 -6.9253 -6.9189 -6.9189 -4.8647 -4.8647 2.3317 2.3317 6.2104 6.2104 6.5942 6.5942 6.8916 6.8916 11.5830 11.5830 13.4403 13.4403 13.9138 13.9138 15.5004 15.5004 k = 0.0658 0.0380 0.1074 ( 1907 PWs) bands (ev): -9.4791 -9.4791 -9.4774 -9.4774 -6.9284 -6.9284 -6.9247 -6.9247 -6.9193 -6.9193 -4.8852 -4.8852 2.3964 2.3964 6.2218 6.2218 6.5811 6.5811 6.8343 6.8343 11.6780 11.6780 13.5947 13.5947 14.0088 14.0088 15.4777 15.4777 k = 0.0592 0.0342 0.0967 ( 1899 PWs) bands (ev): -9.4791 -9.4791 -9.4777 -9.4777 -6.9289 -6.9289 -6.9241 -6.9241 -6.9198 -6.9198 -4.9038 -4.9038 2.4574 2.4574 6.2286 6.2286 6.5710 6.5710 6.7816 6.7816 11.7671 11.7671 13.7483 13.7483 14.1053 14.1053 15.4582 15.4582 k = 0.0526 0.0304 0.0859 ( 1899 PWs) bands (ev): -9.4791 -9.4791 -9.4779 -9.4779 -6.9293 -6.9293 -6.9236 -6.9236 -6.9202 -6.9202 -4.9205 -4.9205 2.5140 2.5140 6.2309 6.2309 6.5638 6.5638 6.7340 6.7340 11.8493 11.8493 13.8997 13.8997 14.2022 14.2022 15.4416 15.4416 k = 0.0461 0.0266 0.0752 ( 1895 PWs) bands (ev): -9.4791 -9.4791 -9.4782 -9.4782 -6.9297 -6.9297 -6.9232 -6.9232 -6.9205 -6.9205 -4.9353 -4.9353 2.5657 2.5657 6.2293 6.2293 6.5592 6.5592 6.6920 6.6920 11.9240 11.9240 14.0476 14.0476 14.2978 14.2978 15.4274 15.4274 k = 0.0395 0.0228 0.0645 ( 1899 PWs) bands (ev): -9.4790 -9.4790 -9.4784 -9.4784 -6.9300 -6.9300 -6.9228 -6.9228 -6.9208 -6.9208 -4.9481 -4.9481 2.6120 2.6120 6.2246 6.2246 6.5568 6.5568 6.6557 6.6557 11.9905 11.9905 14.1900 14.1900 14.3905 14.3905 15.4152 15.4152 k = 0.0329 0.0190 0.0537 ( 1903 PWs) bands (ev): -9.4790 -9.4790 -9.4786 -9.4786 -6.9304 -6.9304 -6.9225 -6.9225 -6.9211 -6.9211 -4.9590 -4.9590 2.6523 2.6523 6.2178 6.2178 6.5560 6.5560 6.6253 6.6253 12.0481 12.0481 14.3246 14.3246 14.4778 14.4778 15.4046 15.4046 k = 0.0263 0.0152 0.0430 ( 1909 PWs) bands (ev): -9.4790 -9.4790 -9.4787 -9.4787 -6.9306 -6.9306 -6.9222 -6.9222 -6.9213 -6.9213 -4.9679 -4.9679 2.6861 2.6861 6.2102 6.2102 6.5562 6.5562 6.6009 6.6009 12.0961 12.0961 14.4481 14.4481 14.5570 14.5570 15.3953 15.3953 k = 0.0197 0.0114 0.0322 ( 1909 PWs) bands (ev): -9.4790 -9.4790 -9.4788 -9.4788 -6.9308 -6.9308 -6.9220 -6.9220 -6.9215 -6.9215 -4.9749 -4.9749 2.7129 2.7129 6.2029 6.2029 6.5569 6.5569 6.5821 6.5821 12.1340 12.1340 14.5564 14.5564 14.6247 14.6247 15.3873 15.3873 k = 0.0132 0.0076 0.0215 ( 1915 PWs) bands (ev): -9.4790 -9.4790 -9.4789 -9.4789 -6.9310 -6.9310 -6.9218 -6.9218 -6.9216 -6.9216 -4.9798 -4.9798 2.7324 2.7324 6.1969 6.1969 6.5577 6.5577 6.5689 6.5689 12.1615 12.1615 14.6434 14.6434 14.6770 14.6770 15.3809 15.3809 k = 0.0066 0.0038 0.0107 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9311 -6.9311 -6.9217 -6.9217 -6.9217 -6.9217 -4.9828 -4.9828 2.7442 2.7442 6.1929 6.1929 6.5582 6.5582 6.5611 6.5611 12.1781 12.1781 14.7013 14.7013 14.7104 14.7104 15.3767 15.3767 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9311 -6.9311 -6.9217 -6.9217 -6.9217 -6.9217 -4.9838 -4.9838 2.7481 2.7481 6.1915 6.1915 6.5585 6.5585 6.5585 6.5585 12.1836 12.1836 14.7219 14.7219 14.7219 14.7219 15.3751 15.3751 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9311 -6.9311 -6.9217 -6.9217 -6.9217 -6.9217 -4.9838 -4.9838 2.7481 2.7481 6.1915 6.1915 6.5585 6.5585 6.5585 6.5585 12.1836 12.1836 14.7219 14.7219 14.7219 14.7219 15.3751 15.3751 k = 0.0106 0.0061 0.0043 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4790 -9.4790 -6.9311 -6.9311 -6.9217 -6.9217 -6.9217 -6.9217 -4.9828 -4.9828 2.7442 2.7442 6.1929 6.1929 6.5587 6.5587 6.5605 6.5605 12.1782 12.1782 14.7020 14.7020 14.7103 14.7103 15.3774 15.3775 k = 0.0213 0.0123 0.0087 ( 1917 PWs) bands (ev): -9.4790 -9.4790 -9.4789 -9.4789 -6.9310 -6.9310 -6.9218 -6.9218 -6.9216 -6.9216 -4.9799 -4.9799 2.7327 2.7327 6.1969 6.1969 6.5594 6.5594 6.5668 6.5668 12.1619 12.1619 14.6458 14.6458 14.6768 14.6768 15.3830 15.3831 k = 0.0319 0.0184 0.0130 ( 1911 PWs) bands (ev): -9.4790 -9.4790 -9.4788 -9.4788 -6.9308 -6.9308 -6.9220 -6.9220 -6.9215 -6.9215 -4.9750 -4.9750 2.7135 2.7135 6.2033 6.2033 6.5606 6.5606 6.5774 6.5774 12.1352 12.1352 14.5610 14.5610 14.6243 14.6243 15.3902 15.3902 k = 0.0426 0.0246 0.0174 ( 1904 PWs) bands (ev): -9.4790 -9.4790 -9.4787 -9.4787 -6.9306 -6.9306 -6.9222 -6.9222 -6.9213 -6.9213 -4.9682 -4.9682 2.6871 2.6871 6.2119 6.2119 6.5623 6.5623 6.5923 6.5923 12.0985 12.0985 14.4555 14.4555 14.5563 14.5563 15.3976 15.3976 k = 0.0532 0.0307 0.0217 ( 1898 PWs) bands (ev): -9.4791 -9.4791 -9.4785 -9.4785 -6.9304 -6.9304 -6.9225 -6.9225 -6.9211 -6.9211 -4.9595 -4.9595 2.6536 2.6536 6.2222 6.2222 6.5645 6.5645 6.6116 6.6116 12.0523 12.0523 14.3355 14.3355 14.4761 14.4761 15.4042 15.4042 k = 0.0638 0.0369 0.0261 ( 1892 PWs) bands (ev): -9.4791 -9.4791 -9.4783 -9.4783 -6.9301 -6.9301 -6.9228 -6.9228 -6.9208 -6.9208 -4.9489 -4.9489 2.6134 2.6134 6.2338 6.2338 6.5672 6.5672 6.6353 6.6353 11.9974 11.9974 14.2055 14.2055 14.3864 14.3864 15.4093 15.4093 k = 0.0745 0.0430 0.0304 ( 1892 PWs) bands (ev): -9.4791 -9.4791 -9.4781 -9.4781 -6.9297 -6.9297 -6.9232 -6.9232 -6.9205 -6.9205 -4.9363 -4.9363 2.5670 2.5670 6.2465 6.2465 6.5703 6.5703 6.6634 6.6634 11.9346 11.9346 14.0687 14.0687 14.2892 14.2892 15.4123 15.4123 k = 0.0851 0.0491 0.0347 ( 1898 PWs) bands (ev): -9.4792 -9.4792 -9.4779 -9.4779 -6.9294 -6.9294 -6.9236 -6.9236 -6.9201 -6.9201 -4.9219 -4.9219 2.5147 2.5147 6.2599 6.2599 6.5739 6.5739 6.6958 6.6958 11.8647 11.8647 13.9276 13.9276 14.1864 14.1864 15.4130 15.4130 k = 0.0957 0.0553 0.0391 ( 1898 PWs) bands (ev): -9.4792 -9.4792 -9.4776 -9.4776 -6.9290 -6.9290 -6.9240 -6.9240 -6.9197 -6.9197 -4.9056 -4.9056 2.4572 2.4572 6.2737 6.2737 6.5780 6.5780 6.7322 6.7322 11.7885 11.7885 13.7837 13.7837 14.0793 14.0793 15.4117 15.4117 k = 0.1064 0.0614 0.0434 ( 1901 PWs) bands (ev): -9.4793 -9.4793 -9.4773 -9.4773 -6.9287 -6.9287 -6.9243 -6.9243 -6.9193 -6.9193 -4.8875 -4.8875 2.3947 2.3947 6.2878 6.2878 6.5826 6.5826 6.7724 6.7724 11.7068 11.7068 13.6384 13.6384 13.9691 13.9691 15.4089 15.4089 k = 0.1170 0.0676 0.0478 ( 1898 PWs) bands (ev): -9.4793 -9.4793 -9.4769 -9.4769 -6.9286 -6.9286 -6.9245 -6.9245 -6.9188 -6.9188 -4.8676 -4.8676 2.3278 2.3278 6.3021 6.3021 6.5876 6.5876 6.8160 6.8160 11.6205 11.6205 13.4927 13.4927 13.8566 13.8566 15.4056 15.4056 k = 0.1277 0.0737 0.0521 ( 1889 PWs) bands (ev): -9.4794 -9.4794 -9.4765 -9.4765 -6.9286 -6.9286 -6.9245 -6.9245 -6.9183 -6.9183 -4.8459 -4.8459 2.2570 2.2570 6.3166 6.3166 6.5932 6.5932 6.8626 6.8626 11.5303 11.5303 13.3473 13.3473 13.7428 13.7428 15.4027 15.4027 k = 0.1383 0.0798 0.0565 ( 1889 PWs) bands (ev): -9.4794 -9.4794 -9.4761 -9.4761 -6.9290 -6.9290 -6.9242 -6.9242 -6.9177 -6.9177 -4.8225 -4.8225 2.1826 2.1826 6.3313 6.3313 6.5991 6.5991 6.9118 6.9118 11.4367 11.4367 13.2028 13.2028 13.6282 13.6282 15.4011 15.4011 k = 0.1489 0.0860 0.0608 ( 1901 PWs) bands (ev): -9.4795 -9.4795 -9.4757 -9.4757 -6.9295 -6.9295 -6.9237 -6.9237 -6.9171 -6.9171 -4.7973 -4.7973 2.1050 2.1050 6.3462 6.3462 6.6056 6.6056 6.9632 6.9632 11.3406 11.3406 13.0597 13.0597 13.5135 13.5135 15.4015 15.4015 k = 0.1596 0.0921 0.0651 ( 1907 PWs) bands (ev): -9.4796 -9.4796 -9.4753 -9.4753 -6.9302 -6.9302 -6.9231 -6.9231 -6.9165 -6.9165 -4.7706 -4.7706 2.0248 2.0248 6.3614 6.3614 6.6124 6.6124 7.0163 7.0163 11.2425 11.2425 12.9184 12.9184 13.3990 13.3990 15.4048 15.4048 k = 0.1702 0.0983 0.0695 ( 1907 PWs) bands (ev): -9.4797 -9.4797 -9.4749 -9.4749 -6.9310 -6.9310 -6.9224 -6.9224 -6.9159 -6.9159 -4.7422 -4.7422 1.9421 1.9421 6.3768 6.3768 6.6197 6.6197 7.0709 7.0709 11.1429 11.1429 12.7791 12.7791 13.2852 13.2852 15.4114 15.4114 k = 0.1809 0.1044 0.0738 ( 1907 PWs) bands (ev): -9.4798 -9.4798 -9.4744 -9.4744 -6.9319 -6.9319 -6.9216 -6.9216 -6.9152 -6.9152 -4.7122 -4.7122 1.8575 1.8575 6.3926 6.3926 6.6274 6.6274 7.1265 7.1265 11.0422 11.0422 12.6422 12.6422 13.1725 13.1725 15.4218 15.4218 k = 0.1915 0.1106 0.0782 ( 1907 PWs) bands (ev): -9.4798 -9.4798 -9.4739 -9.4739 -6.9329 -6.9329 -6.9208 -6.9208 -6.9145 -6.9145 -4.6808 -4.6808 1.7712 1.7712 6.4087 6.4087 6.6356 6.6356 7.1828 7.1828 10.9411 10.9411 12.5078 12.5078 13.0611 13.0611 15.4364 15.4364 k = 0.2021 0.1167 0.0825 ( 1901 PWs) bands (ev): -9.4799 -9.4799 -9.4734 -9.4734 -6.9338 -6.9338 -6.9199 -6.9199 -6.9138 -6.9138 -4.6480 -4.6480 1.6836 1.6836 6.4252 6.4252 6.6441 6.6441 7.2397 7.2397 10.8397 10.8397 12.3762 12.3762 12.9514 12.9514 15.4556 15.4556 k = 0.2128 0.1228 0.0869 ( 1901 PWs) bands (ev): -9.4800 -9.4800 -9.4729 -9.4729 -6.9349 -6.9349 -6.9190 -6.9190 -6.9131 -6.9131 -4.6138 -4.6138 1.5950 1.5950 6.4421 6.4421 6.6530 6.6530 7.2967 7.2967 10.7385 10.7385 12.2474 12.2474 12.8436 12.8436 15.4796 15.4796 k = 0.2234 0.1290 0.0912 ( 1910 PWs) bands (ev): -9.4801 -9.4801 -9.4724 -9.4724 -6.9359 -6.9359 -6.9181 -6.9181 -6.9123 -6.9123 -4.5784 -4.5784 1.5057 1.5057 6.4593 6.4593 6.6622 6.6622 7.3538 7.3538 10.6378 10.6378 12.1216 12.1216 12.7379 12.7379 15.5086 15.5086 k = 0.2340 0.1351 0.0955 ( 1910 PWs) bands (ev): -9.4802 -9.4802 -9.4719 -9.4719 -6.9370 -6.9370 -6.9171 -6.9171 -6.9116 -6.9116 -4.5418 -4.5418 1.4159 1.4159 6.4770 6.4770 6.6717 6.6717 7.4108 7.4108 10.5379 10.5379 11.9989 11.9989 12.6344 12.6344 15.5427 15.5427 k = 0.2447 0.1413 0.0999 ( 1904 PWs) bands (ev): -9.4803 -9.4803 -9.4714 -9.4714 -6.9380 -6.9380 -6.9162 -6.9162 -6.9108 -6.9108 -4.5041 -4.5041 1.3260 1.3260 6.4950 6.4950 6.6815 6.6815 7.4674 7.4674 10.4391 10.4391 11.8794 11.8794 12.5335 12.5335 15.5820 15.5820 k = 0.2553 0.1474 0.1042 ( 1904 PWs) bands (ev): -9.4804 -9.4804 -9.4709 -9.4709 -6.9391 -6.9391 -6.9152 -6.9152 -6.9100 -6.9100 -4.4655 -4.4655 1.2361 1.2361 6.5134 6.5134 6.6916 6.6916 7.5235 7.5235 10.3415 10.3415 11.7633 11.7633 12.4352 12.4352 15.6266 15.6266 k = 0.2660 0.1536 0.1086 ( 1904 PWs) bands (ev): -9.4805 -9.4805 -9.4704 -9.4704 -6.9402 -6.9402 -6.9143 -6.9143 -6.9093 -6.9093 -4.4260 -4.4260 1.1467 1.1467 6.5321 6.5321 6.7019 6.7019 7.5791 7.5791 10.2455 10.2455 11.6506 11.6506 12.3397 12.3397 15.6766 15.6766 k = 0.2766 0.1597 0.1129 ( 1904 PWs) bands (ev): -9.4806 -9.4806 -9.4699 -9.4699 -6.9413 -6.9413 -6.9134 -6.9134 -6.9085 -6.9085 -4.3859 -4.3859 1.0580 1.0580 6.5511 6.5511 6.7123 6.7123 7.6341 7.6341 10.1510 10.1510 11.5414 11.5414 12.2473 12.2473 15.7318 15.7318 k = 0.2872 0.1658 0.1173 ( 1901 PWs) bands (ev): -9.4807 -9.4807 -9.4694 -9.4694 -6.9423 -6.9423 -6.9124 -6.9124 -6.9078 -6.9078 -4.3452 -4.3452 0.9702 0.9702 6.5704 6.5704 6.7229 6.7229 7.6884 7.6884 10.0584 10.0584 11.4357 11.4357 12.1579 12.1579 15.7923 15.7923 k = 0.2979 0.1720 0.1216 ( 1901 PWs) bands (ev): -9.4808 -9.4808 -9.4689 -9.4689 -6.9434 -6.9434 -6.9115 -6.9115 -6.9070 -6.9070 -4.3040 -4.3040 0.8837 0.8837 6.5898 6.5898 6.7335 6.7335 7.7420 7.7420 9.9678 9.9678 11.3338 11.3338 12.0719 12.0719 15.8580 15.8580 k = 0.3085 0.1781 0.1259 ( 1901 PWs) bands (ev): -9.4809 -9.4809 -9.4684 -9.4684 -6.9444 -6.9444 -6.9106 -6.9106 -6.9063 -6.9063 -4.2627 -4.2627 0.7986 0.7986 6.6093 6.6093 6.7442 6.7442 7.7947 7.7947 9.8793 9.8793 11.2357 11.2357 11.9892 11.9892 15.9287 15.9287 k = 0.3191 0.1843 0.1303 ( 1898 PWs) bands (ev): -9.4810 -9.4810 -9.4680 -9.4680 -6.9454 -6.9454 -6.9097 -6.9097 -6.9056 -6.9056 -4.2213 -4.2213 0.7154 0.7154 6.6289 6.6289 6.7549 6.7549 7.8468 7.8468 9.7929 9.7929 11.1415 11.1415 11.9100 11.9100 16.0044 16.0044 k = 0.3298 0.1904 0.1346 ( 1898 PWs) bands (ev): -9.4811 -9.4811 -9.4675 -9.4675 -6.9464 -6.9464 -6.9089 -6.9089 -6.9049 -6.9049 -4.1801 -4.1801 0.6343 0.6343 6.6484 6.6484 6.7654 6.7654 7.8980 7.8980 9.7088 9.7088 11.0514 11.0514 11.8346 11.8346 16.0848 16.0848 k = 0.3404 0.1965 0.1390 ( 1898 PWs) bands (ev): -9.4812 -9.4812 -9.4671 -9.4671 -6.9473 -6.9473 -6.9081 -6.9081 -6.9042 -6.9042 -4.1393 -4.1393 0.5555 0.5555 6.6677 6.6677 6.7758 6.7758 7.9485 7.9485 9.6271 9.6271 10.9653 10.9653 11.7629 11.7629 16.1697 16.1697 k = 0.3511 0.2027 0.1433 ( 1898 PWs) bands (ev): -9.4813 -9.4813 -9.4667 -9.4667 -6.9482 -6.9482 -6.9073 -6.9073 -6.9036 -6.9036 -4.0991 -4.0991 0.4795 0.4795 6.6868 6.6868 6.7860 6.7860 7.9983 7.9983 9.5478 9.5478 10.8836 10.8836 11.6952 11.6952 16.2588 16.2588 k = 0.3617 0.2088 0.1477 ( 1895 PWs) bands (ev): -9.4814 -9.4814 -9.4663 -9.4663 -6.9490 -6.9490 -6.9066 -6.9066 -6.9030 -6.9030 -4.0597 -4.0597 0.4065 0.4065 6.7055 6.7055 6.7958 6.7958 8.0474 8.0474 9.4710 9.4710 10.8063 10.8063 11.6315 11.6315 16.3517 16.3517 k = 0.3723 0.2150 0.1520 ( 1901 PWs) bands (ev): -9.4814 -9.4814 -9.4659 -9.4659 -6.9499 -6.9499 -6.9059 -6.9059 -6.9024 -6.9024 -4.0216 -4.0216 0.3369 0.3369 6.7236 6.7236 6.8054 6.8054 8.0959 8.0959 9.3966 9.3966 10.7337 10.7337 11.5719 11.5719 16.4481 16.4481 k = 0.3830 0.2211 0.1564 ( 1907 PWs) bands (ev): -9.4815 -9.4815 -9.4656 -9.4656 -6.9506 -6.9506 -6.9052 -6.9052 -6.9019 -6.9019 -3.9848 -3.9848 0.2711 0.2711 6.7411 6.7411 6.8145 6.8145 8.1438 8.1438 9.3247 9.3247 10.6657 10.6657 11.5167 11.5167 16.5473 16.5473 k = 0.3936 0.2273 0.1607 ( 1904 PWs) bands (ev): -9.4816 -9.4816 -9.4653 -9.4653 -6.9513 -6.9513 -6.9046 -6.9046 -6.9014 -6.9014 -3.9498 -3.9498 0.2093 0.2093 6.7578 6.7578 6.8231 6.8231 8.1913 8.1913 9.2554 9.2554 10.6028 10.6028 11.4658 11.4658 16.6489 16.6489 k = 0.4043 0.2334 0.1650 ( 1904 PWs) bands (ev): -9.4817 -9.4817 -9.4650 -9.4650 -6.9520 -6.9520 -6.9041 -6.9041 -6.9009 -6.9009 -3.9168 -3.9168 0.1520 0.1520 6.7736 6.7736 6.8311 6.8311 8.2382 8.2382 9.1884 9.1884 10.5450 10.5450 11.4194 11.4194 16.7518 16.7518 k = 0.4149 0.2395 0.1694 ( 1904 PWs) bands (ev): -9.4817 -9.4817 -9.4647 -9.4647 -6.9526 -6.9526 -6.9036 -6.9036 -6.9005 -6.9005 -3.8862 -3.8862 0.0995 0.0995 6.7882 6.7882 6.8385 6.8385 8.2848 8.2848 9.1240 9.1240 10.4925 10.4925 11.3776 11.3776 16.8552 16.8552 k = 0.4255 0.2457 0.1737 ( 1898 PWs) bands (ev): -9.4818 -9.4818 -9.4645 -9.4645 -6.9531 -6.9531 -6.9031 -6.9031 -6.9001 -6.9001 -3.8582 -3.8582 0.0521 0.0521 6.8016 6.8016 6.8452 6.8452 8.3311 8.3311 9.0619 9.0619 10.4456 10.4456 11.3405 11.3405 16.9576 16.9576 k = 0.4362 0.2518 0.1781 ( 1898 PWs) bands (ev): -9.4818 -9.4818 -9.4643 -9.4643 -6.9535 -6.9535 -6.9027 -6.9027 -6.8998 -6.8998 -3.8332 -3.8332 0.0102 0.0102 6.8136 6.8136 6.8511 6.8511 8.3770 8.3770 9.0023 9.0023 10.4044 10.4044 11.3081 11.3081 17.0573 17.0573 k = 0.4468 0.2580 0.1824 ( 1913 PWs) bands (ev): -9.4819 -9.4819 -9.4641 -9.4641 -6.9539 -6.9539 -6.9024 -6.9024 -6.8995 -6.8995 -3.8115 -3.8115 -0.0258 -0.0258 6.8240 6.8240 6.8562 6.8562 8.4227 8.4227 8.9450 8.9450 10.3691 10.3691 11.2806 11.2806 17.1519 17.1519 k = 0.4574 0.2641 0.1868 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4639 -9.4639 -6.9543 -6.9543 -6.9021 -6.9021 -6.8993 -6.8993 -3.7933 -3.7933 -0.0558 -0.0558 6.8327 6.8327 6.8605 6.8605 8.4681 8.4681 8.8902 8.8902 10.3400 10.3400 11.2580 11.2580 17.2384 17.2384 k = 0.4681 0.2702 0.1911 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4638 -9.4638 -6.9545 -6.9545 -6.9019 -6.9019 -6.8991 -6.8991 -3.7789 -3.7789 -0.0794 -0.0794 6.8396 6.8396 6.8638 6.8638 8.5127 8.5127 8.8382 8.8382 10.3172 10.3172 11.2403 11.2403 17.3131 17.3131 k = 0.4787 0.2764 0.1954 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4638 -9.4638 -6.9547 -6.9547 -6.9017 -6.9017 -6.8989 -6.8989 -3.7685 -3.7685 -0.0964 -0.0964 6.8446 6.8446 6.8663 6.8663 8.5555 8.5555 8.7902 8.7902 10.3007 10.3007 11.2277 11.2277 17.3714 17.3714 k = 0.4894 0.2825 0.1998 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9548 -6.9548 -6.9016 -6.9016 -6.8989 -6.8989 -3.7622 -3.7622 -0.1067 -0.1067 6.8477 6.8477 6.8677 6.8677 8.5924 8.5924 8.7502 8.7502 10.2909 10.2909 11.2201 11.2201 17.4088 17.4088 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9548 -6.9548 -6.9016 -6.9016 -6.8988 -6.8988 -3.7600 -3.7600 -0.1101 -0.1101 6.8487 6.8487 6.8682 6.8682 8.6097 8.6097 8.7318 8.7318 10.2876 10.2876 11.2176 11.2176 17.4218 17.4218 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9548 -6.9548 -6.9016 -6.9016 -6.8988 -6.8988 -3.7600 -3.7600 -0.1101 -0.1101 6.8487 6.8487 6.8682 6.8682 8.6097 8.6097 8.7318 8.7318 10.2876 10.2876 11.2176 11.2176 17.4218 17.4218 k = 0.5038 0.2777 0.2103 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9549 -6.9549 -6.9016 -6.9016 -6.8989 -6.8989 -3.7592 -3.7592 -0.1090 -0.1090 6.8415 6.8415 6.8616 6.8616 8.5986 8.5986 8.7418 8.7418 10.2975 10.2975 11.2255 11.2255 17.4158 17.4158 k = 0.5076 0.2668 0.2165 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4638 -9.4638 -6.9549 -6.9549 -6.9016 -6.9016 -6.8993 -6.8993 -3.7568 -3.7568 -0.1057 -0.1057 6.8130 6.8130 6.8497 6.8497 8.5662 8.5662 8.7715 8.7715 10.3261 10.3261 11.2494 11.2494 17.3983 17.3983 k = 0.5114 0.2559 0.2227 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4639 -9.4639 -6.9551 -6.9551 -6.9015 -6.9015 -6.8997 -6.8997 -3.7527 -3.7527 -0.1001 -0.1001 6.7616 6.7616 6.8358 6.8358 8.5150 8.5150 8.8191 8.8191 10.3709 10.3709 11.2889 11.2889 17.3704 17.3704 k = 0.5152 0.2449 0.2289 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4640 -9.4640 -6.9553 -6.9553 -6.9016 -6.9016 -6.9003 -6.9003 -3.7470 -3.7470 -0.0924 -0.0924 6.6922 6.6922 6.8181 6.8181 8.4486 8.4486 8.8819 8.8819 10.4283 10.4283 11.3434 11.3434 17.3338 17.3338 k = 0.5189 0.2340 0.2351 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4642 -9.4642 -6.9556 -6.9556 -6.9020 -6.9020 -6.9007 -6.9007 -3.7398 -3.7398 -0.0825 -0.0825 6.6082 6.6082 6.7962 6.7962 8.3707 8.3707 8.9572 8.9572 10.4948 10.4948 11.4123 11.4123 17.2901 17.2901 k = 0.5227 0.2231 0.2412 ( 1900 PWs) bands (ev): -9.4819 -9.4819 -9.4644 -9.4644 -6.9560 -6.9560 -6.9029 -6.9029 -6.9007 -6.9007 -3.7310 -3.7310 -0.0704 -0.0704 6.5125 6.5125 6.7703 6.7703 8.2844 8.2844 9.0425 9.0425 10.5677 10.5677 11.4943 11.4943 17.2407 17.2407 k = 0.5265 0.2121 0.2474 ( 1903 PWs) bands (ev): -9.4819 -9.4819 -9.4646 -9.4646 -6.9565 -6.9565 -6.9040 -6.9040 -6.9006 -6.9006 -3.7208 -3.7208 -0.0562 -0.0562 6.4075 6.4075 6.7406 6.7406 8.1926 8.1926 9.1356 9.1356 10.6450 10.6450 11.5879 11.5879 17.1869 17.1869 k = 0.5303 0.2012 0.2536 ( 1899 PWs) bands (ev): -9.4819 -9.4819 -9.4648 -9.4648 -6.9571 -6.9571 -6.9053 -6.9053 -6.9004 -6.9004 -3.7092 -3.7092 -0.0399 -0.0399 6.2952 6.2952 6.7074 6.7074 8.0973 8.0973 9.2346 9.2346 10.7253 10.7253 11.6912 11.6912 17.1294 17.1294 k = 0.5341 0.1903 0.2598 ( 1903 PWs) bands (ev): -9.4819 -9.4819 -9.4651 -9.4651 -6.9579 -6.9579 -6.9067 -6.9067 -6.9001 -6.9001 -3.6962 -3.6962 -0.0215 -0.0215 6.1774 6.1774 6.6712 6.6712 8.0001 8.0001 9.3382 9.3382 10.8080 10.8080 11.8023 11.8023 17.0688 17.0688 k = 0.5379 0.1793 0.2660 ( 1900 PWs) bands (ev): -9.4819 -9.4819 -9.4654 -9.4654 -6.9589 -6.9589 -6.9081 -6.9081 -6.8997 -6.8997 -3.6820 -3.6820 -0.0010 -0.0010 6.0553 6.0553 6.6323 6.6323 7.9023 7.9023 9.4451 9.4451 10.8926 10.8926 11.9193 11.9193 17.0051 17.0051 k = 0.5417 0.1684 0.2722 ( 1896 PWs) bands (ev): -9.4819 -9.4819 -9.4657 -9.4657 -6.9600 -6.9600 -6.9095 -6.9095 -6.8994 -6.8994 -3.6666 -3.6666 0.0214 0.0214 5.9301 5.9301 6.5910 6.5910 7.8048 7.8048 9.5545 9.5545 10.9790 10.9790 12.0402 12.0402 16.9384 16.9384 k = 0.5455 0.1575 0.2784 ( 1896 PWs) bands (ev): -9.4820 -9.4820 -9.4660 -9.4660 -6.9613 -6.9613 -6.9109 -6.9109 -6.8989 -6.8989 -3.6501 -3.6501 0.0458 0.0458 5.8029 5.8029 6.5477 6.5477 7.7081 7.7081 9.6657 9.6657 11.0670 11.0670 12.1632 12.1632 16.8682 16.8682 k = 0.5492 0.1465 0.2845 ( 1894 PWs) bands (ev): -9.4820 -9.4820 -9.4664 -9.4664 -6.9629 -6.9629 -6.9123 -6.9123 -6.8984 -6.8984 -3.6326 -3.6326 0.0721 0.0721 5.6744 5.6744 6.5029 6.5029 7.6129 7.6129 9.7780 9.7780 11.1567 11.1567 12.2867 12.2867 16.7944 16.7944 k = 0.5530 0.1356 0.2907 ( 1894 PWs) bands (ev): -9.4821 -9.4821 -9.4667 -9.4667 -6.9647 -6.9647 -6.9135 -6.9135 -6.8979 -6.8979 -3.6143 -3.6143 0.1002 0.1002 5.5455 5.5455 6.4568 6.4568 7.5195 7.5195 9.8908 9.8908 11.2477 11.2477 12.4093 12.4093 16.7167 16.7167 k = 0.5568 0.1247 0.2969 ( 1895 PWs) bands (ev): -9.4822 -9.4822 -9.4670 -9.4670 -6.9666 -6.9666 -6.9147 -6.9147 -6.8973 -6.8973 -3.5952 -3.5952 0.1300 0.1300 5.4169 5.4169 6.4097 6.4097 7.4281 7.4281 10.0038 10.0038 11.3400 11.3400 12.5296 12.5296 16.6351 16.6351 k = 0.5606 0.1137 0.3031 ( 1896 PWs) bands (ev): -9.4823 -9.4823 -9.4673 -9.4673 -6.9688 -6.9688 -6.9157 -6.9157 -6.8966 -6.8966 -3.5755 -3.5755 0.1615 0.1615 5.2891 5.2891 6.3619 6.3619 7.3389 7.3389 10.1164 10.1164 11.4335 11.4335 12.6466 12.6466 16.5494 16.5494 k = 0.5644 0.1028 0.3093 ( 1896 PWs) bands (ev): -9.4825 -9.4825 -9.4676 -9.4676 -6.9712 -6.9712 -6.9167 -6.9167 -6.8959 -6.8959 -3.5553 -3.5553 0.1944 0.1944 5.1629 5.1629 6.3138 6.3138 7.2521 7.2521 10.2284 10.2284 11.5277 11.5277 12.7594 12.7594 16.4601 16.4601 k = 0.5682 0.0919 0.3155 ( 1897 PWs) bands (ev): -9.4826 -9.4826 -9.4679 -9.4679 -6.9737 -6.9737 -6.9176 -6.9176 -6.8951 -6.8951 -3.5347 -3.5347 0.2289 0.2289 5.0388 5.0388 6.2655 6.2655 7.1677 7.1677 10.3392 10.3392 11.6225 11.6225 12.8673 12.8673 16.3676 16.3676 k = 0.5720 0.0809 0.3217 ( 1894 PWs) bands (ev): -9.4828 -9.4828 -9.4681 -9.4681 -6.9764 -6.9764 -6.9183 -6.9183 -6.8943 -6.8943 -3.5139 -3.5139 0.2645 0.2645 4.9173 4.9173 6.2172 6.2172 7.0857 7.0857 10.4487 10.4487 11.7174 11.7174 12.9698 12.9698 16.2725 16.2725 k = 0.5758 0.0700 0.3278 ( 1892 PWs) bands (ev): -9.4831 -9.4831 -9.4683 -9.4683 -6.9791 -6.9791 -6.9190 -6.9190 -6.8934 -6.8934 -3.4931 -3.4931 0.3014 0.3014 4.7990 4.7990 6.1693 6.1693 7.0063 7.0063 10.5564 10.5564 11.8123 11.8123 13.0666 13.0666 16.1754 16.1754 k = 0.5795 0.0590 0.3340 ( 1890 PWs) bands (ev): -9.4834 -9.4834 -9.4685 -9.4685 -6.9819 -6.9819 -6.9196 -6.9196 -6.8925 -6.8925 -3.4724 -3.4724 0.3392 0.3392 4.6845 4.6845 6.1219 6.1219 6.9294 6.9294 10.6620 10.6620 11.9065 11.9065 13.1576 13.1576 16.0769 16.0769 k = 0.5833 0.0481 0.3402 ( 1886 PWs) bands (ev): -9.4837 -9.4837 -9.4687 -9.4687 -6.9848 -6.9848 -6.9201 -6.9201 -6.8915 -6.8915 -3.4519 -3.4519 0.3777 0.3777 4.5741 4.5741 6.0751 6.0751 6.8550 6.8550 10.7652 10.7652 11.9998 11.9998 13.2427 13.2427 15.9778 15.9778 k = 0.5871 0.0372 0.3464 ( 1892 PWs) bands (ev): -9.4840 -9.4840 -9.4688 -9.4688 -6.9877 -6.9877 -6.9206 -6.9206 -6.8905 -6.8905 -3.4319 -3.4319 0.4169 0.4169 4.4686 4.4686 6.0292 6.0292 6.7832 6.7832 10.8657 10.8657 12.0917 12.0917 13.3222 13.3222 15.8787 15.8787 k = 0.5909 0.0262 0.3526 ( 1892 PWs) bands (ev): -9.4843 -9.4843 -9.4690 -9.4690 -6.9906 -6.9906 -6.9210 -6.9210 -6.8895 -6.8895 -3.4125 -3.4125 0.4563 0.4563 4.3683 4.3683 5.9842 5.9842 6.7139 6.7139 10.9632 10.9632 12.1817 12.1817 13.3963 13.3963 15.7801 15.7801 k = 0.5947 0.0153 0.3588 ( 1892 PWs) bands (ev): -9.4847 -9.4847 -9.4691 -9.4691 -6.9934 -6.9934 -6.9214 -6.9214 -6.8885 -6.8885 -3.3939 -3.3939 0.4959 0.4959 4.2739 4.2739 5.9403 5.9403 6.6470 6.6470 11.0574 11.0574 12.2694 12.2694 13.4654 13.4654 15.6827 15.6827 k = 0.5985 0.0044 0.3649 ( 1892 PWs) bands (ev): -9.4851 -9.4851 -9.4691 -9.4691 -6.9961 -6.9961 -6.9217 -6.9217 -6.8875 -6.8875 -3.3762 -3.3762 0.5354 0.5354 4.1858 4.1858 5.8977 5.8977 6.5827 6.5827 11.1481 11.1481 12.3542 12.3542 13.5299 13.5299 15.5870 15.5870 k = 0.6023-0.0066 0.3711 ( 1894 PWs) bands (ev): -9.4855 -9.4855 -9.4692 -9.4692 -6.9988 -6.9988 -6.9221 -6.9221 -6.8864 -6.8864 -3.3597 -3.3597 0.5744 0.5744 4.1047 4.1047 5.8564 5.8564 6.5209 6.5209 11.2350 11.2350 12.4356 12.4356 13.5901 13.5901 15.4934 15.4934 k = 0.6061-0.0175 0.3773 ( 1894 PWs) bands (ev): -9.4858 -9.4858 -9.4692 -9.4692 -7.0014 -7.0014 -6.9224 -6.9224 -6.8854 -6.8854 -3.3445 -3.3445 0.6126 0.6126 4.0309 4.0309 5.8165 5.8165 6.4615 6.4615 11.3179 11.3179 12.5133 12.5133 13.6462 13.6462 15.4026 15.4026 k = 0.6098-0.0284 0.3835 ( 1890 PWs) bands (ev): -9.4862 -9.4862 -9.4692 -9.4692 -7.0038 -7.0038 -6.9227 -6.9227 -6.8844 -6.8844 -3.3308 -3.3308 0.6499 0.6499 3.9651 3.9651 5.7781 5.7781 6.4046 6.4046 11.3967 11.3967 12.5869 12.5869 13.6984 13.6984 15.3149 15.3149 k = 0.6136-0.0394 0.3897 ( 1893 PWs) bands (ev): -9.4866 -9.4866 -9.4693 -9.4693 -7.0061 -7.0061 -6.9229 -6.9229 -6.8834 -6.8834 -3.3188 -3.3188 0.6859 0.6859 3.9076 3.9076 5.7414 5.7414 6.3501 6.3501 11.4713 11.4713 12.6559 12.6559 13.7465 13.7466 15.2310 15.2310 k = 0.6174-0.0503 0.3959 ( 1891 PWs) bands (ev): -9.4869 -9.4869 -9.4693 -9.4693 -7.0082 -7.0082 -6.9232 -6.9232 -6.8824 -6.8824 -3.3087 -3.3087 0.7203 0.7203 3.8591 3.8591 5.7063 5.7063 6.2981 6.2981 11.5416 11.5416 12.7201 12.7201 13.7905 13.7905 15.1513 15.1513 k = 0.6212-0.0612 0.4021 ( 1891 PWs) bands (ev): -9.4872 -9.4872 -9.4693 -9.4693 -7.0101 -7.0101 -6.9234 -6.9234 -6.8815 -6.8815 -3.3007 -3.3007 0.7530 0.7530 3.8198 3.8198 5.6729 5.6729 6.2485 6.2485 11.6074 11.6074 12.7793 12.7793 13.8296 13.8296 15.0766 15.0766 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9237 -6.9237 -6.8806 -6.8806 -3.2948 -3.2948 0.7838 0.7838 3.7901 3.7901 5.6413 5.6413 6.2014 6.2014 11.6690 11.6690 12.8334 12.8334 13.8634 13.8634 15.0073 15.0073 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9237 -6.9237 -6.8806 -6.8806 -3.2948 -3.2948 0.7838 0.7838 3.7901 3.7901 5.6413 5.6413 6.2014 6.2014 11.6690 11.6690 12.8334 12.8334 13.8634 13.8634 15.0073 15.0073 k = 0.6184-0.0684 0.4190 ( 1891 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9236 -6.9236 -6.8807 -6.8807 -3.2945 -3.2945 0.7840 0.7840 3.7910 3.7910 5.6159 5.6159 6.2278 6.2278 11.6608 11.6608 12.8358 12.8358 13.8610 13.8610 15.0176 15.0176 k = 0.6118-0.0646 0.4297 ( 1893 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9235 -6.9235 -6.8809 -6.8809 -3.2937 -3.2937 0.7849 0.7849 3.7938 3.7938 5.5506 5.5506 6.2961 6.2961 11.6366 11.6366 12.8428 12.8428 13.8539 13.8539 15.0480 15.0480 k = 0.6053-0.0608 0.4405 ( 1893 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9232 -6.9232 -6.8811 -6.8811 -3.2924 -3.2924 0.7863 0.7863 3.7984 3.7984 5.4635 5.4635 6.3880 6.3880 11.5977 11.5977 12.8541 12.8541 13.8428 13.8428 15.0971 15.0971 k = 0.5987-0.0570 0.4512 ( 1889 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0120 -7.0120 -6.9229 -6.9229 -6.8815 -6.8815 -3.2906 -3.2906 0.7883 0.7883 3.8048 3.8048 5.3665 5.3665 6.4918 6.4918 11.5457 11.5457 12.8694 12.8694 13.8283 13.8283 15.1627 15.1627 k = 0.5921-0.0532 0.4620 ( 1887 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0120 -7.0120 -6.9224 -6.9224 -6.8820 -6.8820 -3.2883 -3.2883 0.7907 0.7907 3.8130 3.8130 5.2655 5.2655 6.6011 6.6011 11.4827 11.4827 12.8881 12.8881 13.8112 13.8112 15.2425 15.2425 k = 0.5855-0.0494 0.4727 ( 1893 PWs) bands (ev): -9.4874 -9.4874 -9.4693 -9.4693 -7.0121 -7.0121 -6.9219 -6.9219 -6.8825 -6.8825 -3.2855 -3.2855 0.7935 0.7935 3.8229 3.8229 5.1639 5.1639 6.7125 6.7125 11.4112 11.4112 12.9100 12.9100 13.7920 13.7920 15.3340 15.3340 k = 0.5789-0.0456 0.4835 ( 1893 PWs) bands (ev): -9.4874 -9.4874 -9.4694 -9.4694 -7.0122 -7.0122 -6.9213 -6.9213 -6.8831 -6.8831 -3.2824 -3.2824 0.7966 0.7966 3.8344 3.8344 5.0636 5.0636 6.8237 6.8237 11.3332 11.3332 12.9345 12.9345 13.7712 13.7712 15.4348 15.4348 k = 0.5724-0.0418 0.4942 ( 1893 PWs) bands (ev): -9.4874 -9.4874 -9.4694 -9.4694 -7.0123 -7.0123 -6.9207 -6.9207 -6.8838 -6.8838 -3.2790 -3.2790 0.8000 0.8000 3.8475 3.8475 4.9659 4.9659 6.9331 6.9331 11.2512 11.2512 12.9614 12.9614 13.7492 13.7492 15.5426 15.5426 k = 0.5658-0.0380 0.5049 ( 1891 PWs) bands (ev): -9.4873 -9.4873 -9.4694 -9.4694 -7.0124 -7.0124 -6.9200 -6.9200 -6.8846 -6.8846 -3.2753 -3.2753 0.8036 0.8036 3.8620 3.8620 4.8718 4.8718 7.0393 7.0393 11.1672 11.1672 12.9904 12.9904 13.7262 13.7262 15.6553 15.6553 k = 0.5592-0.0342 0.5157 ( 1891 PWs) bands (ev): -9.4873 -9.4873 -9.4694 -9.4694 -7.0124 -7.0124 -6.9192 -6.9192 -6.8853 -6.8853 -3.2715 -3.2715 0.8072 0.8072 3.8778 3.8778 4.7822 4.7822 7.1410 7.1410 11.0832 11.0832 13.0210 13.0210 13.7023 13.7023 15.7710 15.7710 k = 0.5526-0.0304 0.5264 ( 1895 PWs) bands (ev): -9.4873 -9.4873 -9.4695 -9.4695 -7.0125 -7.0125 -6.9185 -6.9185 -6.8861 -6.8861 -3.2676 -3.2676 0.8108 0.8108 3.8946 3.8946 4.6979 4.6979 7.2370 7.2370 11.0014 11.0014 13.0529 13.0529 13.6779 13.6779 15.8879 15.8879 k = 0.5461-0.0266 0.5372 ( 1897 PWs) bands (ev): -9.4872 -9.4872 -9.4695 -9.4695 -7.0126 -7.0126 -6.9177 -6.9177 -6.8869 -6.8869 -3.2637 -3.2637 0.8142 0.8142 3.9121 3.9121 4.6195 4.6195 7.3260 7.3260 10.9236 10.9236 13.0856 13.0856 13.6531 13.6531 16.0042 16.0042 k = 0.5395-0.0228 0.5479 ( 1891 PWs) bands (ev): -9.4872 -9.4872 -9.4695 -9.4695 -7.0127 -7.0127 -6.9170 -6.9170 -6.8877 -6.8877 -3.2599 -3.2599 0.8173 0.8173 3.9299 3.9299 4.5481 4.5481 7.4066 7.4066 10.8516 10.8516 13.1184 13.1184 13.6285 13.6285 16.1179 16.1179 k = 0.5329-0.0190 0.5587 ( 1892 PWs) bands (ev): -9.4872 -9.4872 -9.4695 -9.4695 -7.0128 -7.0128 -6.9163 -6.9163 -6.8884 -6.8884 -3.2563 -3.2563 0.8201 0.8201 3.9473 3.9473 4.4845 4.4845 7.4775 7.4775 10.7873 10.7873 13.1504 13.1504 13.6044 13.6044 16.2271 16.2271 k = 0.5263-0.0152 0.5694 ( 1898 PWs) bands (ev): -9.4871 -9.4871 -9.4695 -9.4695 -7.0128 -7.0128 -6.9157 -6.9157 -6.8890 -6.8890 -3.2531 -3.2531 0.8225 0.8225 3.9636 3.9636 4.4300 4.4300 7.5374 7.5374 10.7322 10.7322 13.1806 13.1806 13.5817 13.5817 16.3292 16.3292 k = 0.5197-0.0114 0.5801 ( 1896 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0129 -7.0129 -6.9152 -6.9152 -6.8896 -6.8896 -3.2504 -3.2504 0.8243 0.8243 3.9776 3.9776 4.3859 4.3859 7.5851 7.5851 10.6879 10.6879 13.2073 13.2073 13.5616 13.5616 16.4206 16.4206 k = 0.5132-0.0076 0.5909 ( 1896 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0129 -7.0129 -6.9148 -6.9148 -6.8900 -6.8900 -3.2483 -3.2483 0.8257 0.8257 3.9881 3.9881 4.3536 4.3536 7.6197 7.6197 10.6555 10.6555 13.2288 13.2288 13.5454 13.5454 16.4957 16.4957 k = 0.5066-0.0038 0.6016 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0130 -7.0130 -6.9146 -6.9146 -6.8902 -6.8902 -3.2469 -3.2469 0.8264 0.8264 3.9942 3.9942 4.3343 4.3343 7.6405 7.6405 10.6358 10.6358 13.2427 13.2427 13.5350 13.5350 16.5467 16.5468 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0130 -7.0130 -6.9145 -6.9145 -6.8903 -6.8903 -3.2464 -3.2464 0.8267 0.8267 3.9961 3.9961 4.3281 4.3281 7.6475 7.6475 10.6292 10.6292 13.2476 13.2476 13.5314 13.5314 16.5650 16.5650 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0130 -7.0130 -6.9145 -6.9145 -6.8903 -6.8903 -3.2464 -3.2464 0.8267 0.8267 3.9961 3.9961 4.3281 4.3281 7.6475 7.6475 10.6292 10.6292 13.2476 13.2476 13.5314 13.5314 16.5650 16.5650 k = 0.5000 0.0076 0.6016 ( 1888 PWs) bands (ev): -9.4871 -9.4871 -9.4696 -9.4696 -7.0128 -7.0128 -6.9145 -6.9145 -6.8903 -6.8903 -3.2474 -3.2474 0.8241 0.8241 4.0002 4.0002 4.3321 4.3321 7.6474 7.6474 10.6270 10.6270 13.2446 13.2446 13.5309 13.5309 16.5642 16.5642 k = 0.5000 0.0152 0.5909 ( 1892 PWs) bands (ev): -9.4870 -9.4870 -9.4696 -9.4696 -7.0125 -7.0125 -6.9145 -6.9145 -6.8904 -6.8904 -3.2502 -3.2502 0.8166 0.8166 4.0125 4.0125 4.3443 4.3443 7.6471 7.6471 10.6203 10.6203 13.2358 13.2358 13.5291 13.5291 16.5619 16.5619 k = 0.5000 0.0228 0.5801 ( 1894 PWs) bands (ev): -9.4869 -9.4869 -9.4696 -9.4696 -7.0118 -7.0118 -6.9146 -6.9146 -6.8905 -6.8905 -3.2549 -3.2549 0.8042 0.8042 4.0329 4.0329 4.3645 4.3645 7.6467 7.6467 10.6092 10.6092 13.2210 13.2210 13.5259 13.5259 16.5585 16.5585 k = 0.5000 0.0304 0.5694 ( 1890 PWs) bands (ev): -9.4868 -9.4868 -9.4696 -9.4696 -7.0110 -7.0110 -6.9147 -6.9147 -6.8907 -6.8907 -3.2614 -3.2614 0.7873 0.7873 4.0608 4.0608 4.3929 4.3929 7.6462 7.6462 10.5939 10.5939 13.1999 13.1999 13.5208 13.5208 16.5545 16.5545 k = 0.5000 0.0380 0.5587 ( 1890 PWs) bands (ev): -9.4866 -9.4866 -9.4696 -9.4696 -7.0098 -7.0098 -6.9148 -6.9148 -6.8909 -6.8909 -3.2697 -3.2697 0.7661 0.7661 4.0959 4.0959 4.4295 4.4295 7.6456 7.6456 10.5745 10.5745 13.1723 13.1723 13.5134 13.5134 16.5507 16.5507 k = 0.5000 0.0456 0.5479 ( 1892 PWs) bands (ev): -9.4864 -9.4864 -9.4695 -9.4695 -7.0085 -7.0085 -6.9149 -6.9149 -6.8912 -6.8912 -3.2796 -3.2796 0.7411 0.7411 4.1376 4.1376 4.4741 4.4741 7.6450 7.6450 10.5512 10.5512 13.1377 13.1377 13.5032 13.5032 16.5477 16.5477 k = 0.5000 0.0532 0.5372 ( 1892 PWs) bands (ev): -9.4862 -9.4862 -9.4695 -9.4695 -7.0069 -7.0069 -6.9151 -6.9151 -6.8914 -6.8914 -3.2912 -3.2912 0.7128 0.7128 4.1855 4.1855 4.5267 4.5267 7.6443 7.6443 10.5243 10.5243 13.0957 13.0957 13.4897 13.4897 16.5465 16.5465 k = 0.5000 0.0608 0.5264 ( 1896 PWs) bands (ev): -9.4859 -9.4859 -9.4695 -9.4695 -7.0051 -7.0051 -6.9152 -6.9152 -6.8918 -6.8918 -3.3043 -3.3043 0.6815 0.6815 4.2390 4.2390 4.5871 4.5871 7.6438 7.6438 10.4940 10.4940 13.0459 13.0459 13.4723 13.4723 16.5479 16.5479 k = 0.5000 0.0684 0.5157 ( 1900 PWs) bands (ev): -9.4856 -9.4856 -9.4695 -9.4695 -7.0031 -7.0031 -6.9154 -6.9154 -6.8921 -6.8921 -3.3188 -3.3188 0.6478 0.6478 4.2977 4.2977 4.6551 4.6551 7.6435 7.6435 10.4605 10.4605 12.9878 12.9878 13.4506 13.4506 16.5525 16.5525 k = 0.5000 0.0760 0.5049 ( 1900 PWs) bands (ev): -9.4854 -9.4854 -9.4694 -9.4694 -7.0009 -7.0009 -6.9155 -6.9155 -6.8925 -6.8925 -3.3346 -3.3346 0.6122 0.6122 4.3613 4.3613 4.7303 4.7303 7.6434 7.6434 10.4242 10.4242 12.9212 12.9212 13.4242 13.4242 16.5605 16.5605 k = 0.5000 0.0836 0.4942 ( 1894 PWs) bands (ev): -9.4850 -9.4850 -9.4694 -9.4694 -6.9986 -6.9986 -6.9157 -6.9157 -6.8929 -6.8929 -3.3515 -3.3515 0.5750 0.5750 4.4293 4.4293 4.8123 4.8123 7.6437 7.6437 10.3852 10.3852 12.8460 12.8460 13.3925 13.3925 16.5718 16.5718 k = 0.5000 0.0912 0.4835 ( 1892 PWs) bands (ev): -9.4847 -9.4847 -9.4693 -9.4693 -6.9961 -6.9961 -6.9158 -6.9158 -6.8934 -6.8934 -3.3695 -3.3695 0.5368 0.5368 4.5017 4.5017 4.9005 4.9005 7.6446 7.6446 10.3437 10.3437 12.7625 12.7625 13.3552 13.3552 16.5857 16.5857 k = 0.5000 0.0988 0.4727 ( 1892 PWs) bands (ev): -9.4844 -9.4844 -9.4692 -9.4692 -6.9935 -6.9935 -6.9160 -6.9160 -6.8938 -6.8938 -3.3883 -3.3883 0.4978 0.4978 4.5782 4.5782 4.9943 4.9943 7.6462 7.6462 10.2999 10.2999 12.6708 12.6708 13.3117 13.3117 16.6011 16.6011 k = 0.5000 0.1064 0.4620 ( 1890 PWs) bands (ev): -9.4841 -9.4841 -9.4691 -9.4691 -6.9908 -6.9908 -6.9161 -6.9161 -6.8943 -6.8943 -3.4079 -3.4079 0.4584 0.4584 4.6587 4.6587 5.0930 5.0930 7.6486 7.6486 10.2541 10.2541 12.5717 12.5717 13.2617 13.2617 16.6170 16.6170 k = 0.5000 0.1140 0.4512 ( 1892 PWs) bands (ev): -9.4838 -9.4838 -9.4690 -9.4690 -6.9880 -6.9880 -6.9161 -6.9161 -6.8948 -6.8948 -3.4281 -3.4281 0.4191 0.4191 4.7430 4.7430 5.1962 5.1962 7.6522 7.6522 10.2062 10.2062 12.4658 12.4658 13.2049 13.2049 16.6325 16.6325 k = 0.5000 0.1215 0.4405 ( 1892 PWs) bands (ev): -9.4835 -9.4835 -9.4688 -9.4688 -6.9852 -6.9852 -6.9161 -6.9161 -6.8952 -6.8952 -3.4488 -3.4488 0.3799 0.3799 4.8310 4.8310 5.3030 5.3030 7.6571 7.6571 10.1563 10.1563 12.3540 12.3540 13.1409 13.1409 16.6474 16.6474 k = 0.5000 0.1291 0.4297 ( 1898 PWs) bands (ev): -9.4833 -9.4833 -9.4686 -9.4686 -6.9823 -6.9823 -6.9161 -6.9161 -6.8957 -6.8957 -3.4698 -3.4698 0.3413 0.3413 4.9225 4.9225 5.4126 5.4126 7.6637 7.6637 10.1046 10.1046 12.2373 12.2373 13.0696 13.0696 16.6624 16.6624 k = 0.5000 0.1367 0.4190 ( 1896 PWs) bands (ev): -9.4830 -9.4830 -9.4684 -9.4684 -6.9795 -6.9795 -6.9159 -6.9159 -6.8962 -6.8962 -3.4909 -3.4909 0.3034 0.3034 5.0175 5.0175 5.5245 5.5245 7.6723 7.6723 10.0508 10.0508 12.1168 12.1168 12.9910 12.9910 16.6785 16.6785 k = 0.5000 0.1443 0.4082 ( 1894 PWs) bands (ev): -9.4828 -9.4828 -9.4682 -9.4682 -6.9767 -6.9767 -6.9157 -6.9157 -6.8966 -6.8966 -3.5121 -3.5121 0.2665 0.2665 5.1156 5.1156 5.6377 5.6377 7.6834 7.6834 9.9950 9.9950 11.9935 11.9935 12.9053 12.9053 16.6969 16.6969 k = 0.5000 0.1519 0.3975 ( 1904 PWs) bands (ev): -9.4826 -9.4826 -9.4679 -9.4679 -6.9741 -6.9741 -6.9153 -6.9153 -6.8971 -6.8971 -3.5332 -3.5332 0.2306 0.2306 5.2167 5.2167 5.7512 5.7512 7.6974 7.6974 9.9370 9.9370 11.8685 11.8685 12.8127 12.8127 16.7183 16.7183 k = 0.5000 0.1595 0.3868 ( 1904 PWs) bands (ev): -9.4824 -9.4824 -9.4676 -9.4676 -6.9715 -6.9715 -6.9149 -6.9149 -6.8975 -6.8975 -3.5539 -3.5539 0.1961 0.1961 5.3206 5.3206 5.8643 5.8643 7.7150 7.7150 9.8765 9.8765 11.7431 11.7431 12.7136 12.7136 16.7436 16.7436 k = 0.5000 0.1671 0.3760 ( 1902 PWs) bands (ev): -9.4823 -9.4823 -9.4673 -9.4673 -6.9691 -6.9691 -6.9142 -6.9142 -6.8979 -6.8979 -3.5743 -3.5743 0.1629 0.1629 5.4269 5.4269 5.9757 5.9757 7.7367 7.7367 9.8135 9.8135 11.6181 11.6181 12.6088 12.6088 16.7729 16.7729 k = 0.5000 0.1747 0.3653 ( 1900 PWs) bands (ev): -9.4822 -9.4822 -9.4670 -9.4670 -6.9669 -6.9669 -6.9135 -6.9135 -6.8983 -6.8983 -3.5942 -3.5942 0.1313 0.1313 5.5354 5.5354 6.0843 6.0843 7.7634 7.7634 9.7476 9.7476 11.4948 11.4948 12.4990 12.4990 16.8066 16.8066 k = 0.5000 0.1823 0.3545 ( 1900 PWs) bands (ev): -9.4821 -9.4821 -9.4667 -9.4667 -6.9648 -6.9648 -6.9126 -6.9126 -6.8987 -6.8987 -3.6134 -3.6134 0.1013 0.1013 5.6457 5.6457 6.1889 6.1889 7.7957 7.7957 9.6785 9.6785 11.3740 11.3740 12.3851 12.3851 16.8445 16.8445 k = 0.5000 0.1899 0.3438 ( 1896 PWs) bands (ev): -9.4820 -9.4820 -9.4664 -9.4664 -6.9630 -6.9630 -6.9115 -6.9115 -6.8991 -6.8991 -3.6319 -3.6319 0.0731 0.0731 5.7574 5.7574 6.2881 6.2881 7.8346 7.8346 9.6063 9.6063 11.2567 11.2567 12.2682 12.2682 16.8863 16.8863 k = 0.5000 0.1975 0.3330 ( 1896 PWs) bands (ev): -9.4819 -9.4819 -9.4660 -9.4660 -6.9614 -6.9614 -6.9104 -6.9104 -6.8994 -6.8994 -3.6495 -3.6495 0.0467 0.0467 5.8699 5.8699 6.3808 6.3808 7.8805 7.8805 9.5306 9.5306 11.1436 11.1436 12.1497 12.1497 16.9318 16.9318 k = 0.5000 0.2051 0.3223 ( 1892 PWs) bands (ev): -9.4819 -9.4819 -9.4657 -9.4657 -6.9601 -6.9601 -6.9091 -6.9091 -6.8997 -6.8997 -3.6661 -3.6661 0.0221 0.0221 5.9828 5.9828 6.4657 6.4657 7.9341 7.9341 9.4517 9.4517 11.0352 11.0352 12.0309 12.0309 16.9804 16.9804 k = 0.5000 0.2127 0.3116 ( 1896 PWs) bands (ev): -9.4819 -9.4819 -9.4654 -9.4654 -6.9589 -6.9589 -6.9078 -6.9078 -6.9000 -6.9000 -3.6816 -3.6816 -0.0004 -0.0004 6.0953 6.0953 6.5420 6.5420 7.9952 7.9952 9.3698 9.3698 10.9320 10.9320 11.9135 11.9135 17.0314 17.0314 k = 0.5000 0.2203 0.3008 ( 1898 PWs) bands (ev): -9.4819 -9.4819 -9.4651 -9.4651 -6.9580 -6.9580 -6.9065 -6.9065 -6.9003 -6.9003 -3.6959 -3.6959 -0.0210 -0.0210 6.2064 6.2064 6.6092 6.6092 8.0636 8.0636 9.2857 9.2857 10.8341 10.8341 11.7992 11.7992 17.0841 17.0841 k = 0.5000 0.2279 0.2901 ( 1898 PWs) bands (ev): -9.4819 -9.4819 -9.4648 -9.4648 -6.9572 -6.9572 -6.9052 -6.9052 -6.9005 -6.9005 -3.7089 -3.7089 -0.0395 -0.0395 6.3152 6.3152 6.6672 6.6672 8.1379 8.1379 9.2002 9.2002 10.7415 10.7415 11.6900 11.6900 17.1375 17.1375 k = 0.5000 0.2355 0.2793 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4646 -9.4646 -6.9565 -6.9565 -6.9040 -6.9040 -6.9007 -6.9007 -3.7206 -3.7206 -0.0559 -0.0559 6.4202 6.4202 6.7162 6.7162 8.2166 8.2166 9.1147 9.1147 10.6543 10.6543 11.5878 11.5878 17.1906 17.1906 k = 0.5000 0.2431 0.2686 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4644 -9.4644 -6.9560 -6.9560 -6.9028 -6.9028 -6.9008 -6.9008 -3.7309 -3.7309 -0.0702 -0.0702 6.5198 6.5198 6.7567 6.7567 8.2971 8.2971 9.0312 9.0312 10.5727 10.5727 11.4948 11.4948 17.2420 17.2420 k = 0.5000 0.2507 0.2578 ( 1902 PWs) bands (ev): -9.4819 -9.4819 -9.4642 -9.4642 -6.9556 -6.9556 -6.9020 -6.9020 -6.9007 -6.9007 -3.7397 -3.7397 -0.0824 -0.0824 6.6118 6.6118 6.7894 6.7894 8.3763 8.3763 8.9521 8.9521 10.4973 10.4973 11.4130 11.4130 17.2902 17.2902 k = 0.5000 0.2583 0.2471 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4640 -9.4640 -6.9553 -6.9553 -6.9016 -6.9016 -6.9003 -6.9003 -3.7470 -3.7470 -0.0923 -0.0923 6.6935 6.6935 6.8152 6.8152 8.4505 8.4505 8.8802 8.8802 10.4294 10.4294 11.3440 11.3440 17.3336 17.3336 k = 0.5000 0.2659 0.2364 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4639 -9.4639 -6.9551 -6.9551 -6.9015 -6.9015 -6.8997 -6.8997 -3.7527 -3.7527 -0.1001 -0.1001 6.7619 6.7619 6.8348 6.8348 8.5153 8.5153 8.8189 8.8189 10.3714 10.3714 11.2892 11.2892 17.3702 17.3702 k = 0.5000 0.2735 0.2256 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4638 -9.4638 -6.9549 -6.9549 -6.9016 -6.9016 -6.8993 -6.8993 -3.7567 -3.7567 -0.1056 -0.1056 6.8129 6.8129 6.8494 6.8494 8.5661 8.5661 8.7717 8.7717 10.3264 10.3264 11.2496 11.2496 17.3982 17.3982 k = 0.5000 0.2811 0.2149 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9549 -6.9549 -6.9016 -6.9016 -6.8989 -6.8989 -3.7592 -3.7592 -0.1090 -0.1090 6.8415 6.8415 6.8616 6.8616 8.5986 8.5986 8.7419 8.7419 10.2975 10.2975 11.2256 11.2256 17.4157 17.4157 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9548 -6.9548 -6.9016 -6.9016 -6.8988 -6.8988 -3.7600 -3.7600 -0.1101 -0.1101 6.8487 6.8487 6.8682 6.8682 8.6097 8.6097 8.7318 8.7318 10.2876 10.2876 11.2176 11.2176 17.4218 17.4218 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9548 -6.9548 -6.9016 -6.9016 -6.8988 -6.8988 -3.7600 -3.7600 -0.1101 -0.1101 6.8487 6.8487 6.8682 6.8682 8.6097 8.6097 8.7318 8.7318 10.2876 10.2876 11.2176 11.2176 17.4218 17.4218 k = 0.4962 0.2865 0.2165 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4637 -9.4637 -6.9549 -6.9549 -6.9016 -6.9016 -6.8989 -6.8989 -3.7592 -3.7592 -0.1090 -0.1090 6.8415 6.8415 6.8616 6.8616 8.5986 8.5986 8.7418 8.7418 10.2975 10.2975 11.2255 11.2255 17.4158 17.4158 k = 0.4924 0.2843 0.2289 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4638 -9.4638 -6.9549 -6.9549 -6.9016 -6.9016 -6.8993 -6.8993 -3.7568 -3.7568 -0.1057 -0.1057 6.8130 6.8130 6.8497 6.8497 8.5662 8.5662 8.7715 8.7715 10.3261 10.3261 11.2494 11.2494 17.3983 17.3983 k = 0.4886 0.2821 0.2412 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4639 -9.4639 -6.9551 -6.9551 -6.9015 -6.9015 -6.8997 -6.8997 -3.7527 -3.7527 -0.1001 -0.1001 6.7616 6.7616 6.8358 6.8358 8.5150 8.5150 8.8191 8.8191 10.3709 10.3709 11.2889 11.2889 17.3704 17.3704 k = 0.4848 0.2799 0.2536 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4640 -9.4640 -6.9553 -6.9553 -6.9016 -6.9016 -6.9003 -6.9003 -3.7470 -3.7470 -0.0924 -0.0924 6.6922 6.6922 6.8181 6.8181 8.4486 8.4486 8.8819 8.8819 10.4283 10.4283 11.3434 11.3434 17.3338 17.3338 k = 0.4811 0.2777 0.2660 ( 1904 PWs) bands (ev): -9.4819 -9.4819 -9.4642 -9.4642 -6.9556 -6.9556 -6.9020 -6.9020 -6.9007 -6.9007 -3.7398 -3.7398 -0.0825 -0.0825 6.6082 6.6082 6.7962 6.7962 8.3707 8.3707 8.9572 8.9572 10.4948 10.4948 11.4123 11.4123 17.2901 17.2901 k = 0.4773 0.2756 0.2784 ( 1900 PWs) bands (ev): -9.4819 -9.4819 -9.4644 -9.4644 -6.9560 -6.9560 -6.9029 -6.9029 -6.9007 -6.9007 -3.7310 -3.7310 -0.0704 -0.0704 6.5125 6.5125 6.7703 6.7703 8.2844 8.2844 9.0425 9.0425 10.5677 10.5677 11.4943 11.4943 17.2407 17.2407 k = 0.4735 0.2734 0.2907 ( 1903 PWs) bands (ev): -9.4819 -9.4819 -9.4646 -9.4646 -6.9565 -6.9565 -6.9040 -6.9040 -6.9006 -6.9006 -3.7208 -3.7208 -0.0562 -0.0562 6.4075 6.4075 6.7406 6.7406 8.1926 8.1926 9.1356 9.1356 10.6450 10.6450 11.5879 11.5879 17.1869 17.1869 k = 0.4697 0.2712 0.3031 ( 1899 PWs) bands (ev): -9.4819 -9.4819 -9.4648 -9.4648 -6.9571 -6.9571 -6.9053 -6.9053 -6.9004 -6.9004 -3.7092 -3.7092 -0.0399 -0.0399 6.2952 6.2952 6.7074 6.7074 8.0973 8.0973 9.2346 9.2346 10.7253 10.7253 11.6912 11.6912 17.1294 17.1294 k = 0.4659 0.2690 0.3155 ( 1903 PWs) bands (ev): -9.4819 -9.4819 -9.4651 -9.4651 -6.9579 -6.9579 -6.9067 -6.9067 -6.9001 -6.9001 -3.6962 -3.6962 -0.0215 -0.0215 6.1774 6.1774 6.6712 6.6712 8.0001 8.0001 9.3382 9.3382 10.8080 10.8080 11.8023 11.8023 17.0688 17.0688 k = 0.4621 0.2668 0.3278 ( 1900 PWs) bands (ev): -9.4819 -9.4819 -9.4654 -9.4654 -6.9589 -6.9589 -6.9081 -6.9081 -6.8997 -6.8997 -3.6820 -3.6820 -0.0010 -0.0010 6.0553 6.0553 6.6323 6.6323 7.9023 7.9023 9.4451 9.4451 10.8926 10.8926 11.9193 11.9193 17.0051 17.0051 k = 0.4583 0.2646 0.3402 ( 1896 PWs) bands (ev): -9.4819 -9.4819 -9.4657 -9.4657 -6.9600 -6.9600 -6.9095 -6.9095 -6.8994 -6.8994 -3.6666 -3.6666 0.0214 0.0214 5.9301 5.9301 6.5910 6.5910 7.8048 7.8048 9.5545 9.5545 10.9790 10.9790 12.0402 12.0402 16.9384 16.9384 k = 0.4545 0.2624 0.3526 ( 1896 PWs) bands (ev): -9.4820 -9.4820 -9.4660 -9.4660 -6.9613 -6.9613 -6.9109 -6.9109 -6.8989 -6.8989 -3.6501 -3.6501 0.0458 0.0458 5.8029 5.8029 6.5477 6.5477 7.7081 7.7081 9.6657 9.6657 11.0670 11.0670 12.1632 12.1632 16.8682 16.8682 k = 0.4508 0.2602 0.3649 ( 1894 PWs) bands (ev): -9.4820 -9.4820 -9.4664 -9.4664 -6.9629 -6.9629 -6.9123 -6.9123 -6.8984 -6.8984 -3.6326 -3.6326 0.0721 0.0721 5.6744 5.6744 6.5029 6.5029 7.6129 7.6129 9.7780 9.7780 11.1567 11.1567 12.2867 12.2867 16.7944 16.7944 k = 0.4470 0.2581 0.3773 ( 1894 PWs) bands (ev): -9.4821 -9.4821 -9.4667 -9.4667 -6.9647 -6.9647 -6.9135 -6.9135 -6.8979 -6.8979 -3.6143 -3.6143 0.1002 0.1002 5.5455 5.5455 6.4568 6.4568 7.5195 7.5195 9.8908 9.8908 11.2477 11.2477 12.4093 12.4093 16.7167 16.7167 k = 0.4432 0.2559 0.3897 ( 1895 PWs) bands (ev): -9.4822 -9.4822 -9.4670 -9.4670 -6.9666 -6.9666 -6.9147 -6.9147 -6.8973 -6.8973 -3.5952 -3.5952 0.1300 0.1300 5.4169 5.4169 6.4097 6.4097 7.4281 7.4281 10.0038 10.0038 11.3400 11.3400 12.5296 12.5296 16.6351 16.6351 k = 0.4394 0.2537 0.4021 ( 1896 PWs) bands (ev): -9.4823 -9.4823 -9.4673 -9.4673 -6.9688 -6.9688 -6.9157 -6.9157 -6.8966 -6.8966 -3.5755 -3.5755 0.1615 0.1615 5.2891 5.2891 6.3619 6.3619 7.3389 7.3389 10.1164 10.1164 11.4335 11.4335 12.6466 12.6466 16.5494 16.5494 k = 0.4356 0.2515 0.4144 ( 1896 PWs) bands (ev): -9.4825 -9.4825 -9.4676 -9.4676 -6.9712 -6.9712 -6.9167 -6.9167 -6.8959 -6.8959 -3.5553 -3.5553 0.1944 0.1944 5.1629 5.1629 6.3138 6.3138 7.2521 7.2521 10.2284 10.2284 11.5277 11.5277 12.7594 12.7594 16.4601 16.4601 k = 0.4318 0.2493 0.4268 ( 1897 PWs) bands (ev): -9.4826 -9.4826 -9.4679 -9.4679 -6.9737 -6.9737 -6.9176 -6.9176 -6.8951 -6.8951 -3.5347 -3.5347 0.2289 0.2289 5.0388 5.0388 6.2655 6.2655 7.1677 7.1677 10.3392 10.3392 11.6225 11.6225 12.8673 12.8673 16.3676 16.3676 k = 0.4280 0.2471 0.4392 ( 1894 PWs) bands (ev): -9.4828 -9.4828 -9.4681 -9.4681 -6.9764 -6.9764 -6.9183 -6.9183 -6.8943 -6.8943 -3.5139 -3.5139 0.2645 0.2645 4.9173 4.9173 6.2172 6.2172 7.0857 7.0857 10.4487 10.4487 11.7174 11.7174 12.9698 12.9698 16.2725 16.2725 k = 0.4242 0.2449 0.4515 ( 1892 PWs) bands (ev): -9.4831 -9.4831 -9.4683 -9.4683 -6.9791 -6.9791 -6.9190 -6.9190 -6.8934 -6.8934 -3.4931 -3.4931 0.3014 0.3014 4.7990 4.7990 6.1693 6.1693 7.0063 7.0063 10.5564 10.5564 11.8123 11.8123 13.0666 13.0666 16.1754 16.1754 k = 0.4205 0.2427 0.4639 ( 1890 PWs) bands (ev): -9.4834 -9.4834 -9.4685 -9.4685 -6.9819 -6.9819 -6.9196 -6.9196 -6.8925 -6.8925 -3.4724 -3.4724 0.3392 0.3392 4.6845 4.6845 6.1219 6.1219 6.9294 6.9294 10.6620 10.6620 11.9065 11.9065 13.1576 13.1576 16.0769 16.0769 k = 0.4167 0.2406 0.4763 ( 1886 PWs) bands (ev): -9.4837 -9.4837 -9.4687 -9.4687 -6.9848 -6.9848 -6.9201 -6.9201 -6.8915 -6.8915 -3.4519 -3.4519 0.3777 0.3777 4.5741 4.5741 6.0751 6.0751 6.8550 6.8550 10.7652 10.7652 11.9998 11.9998 13.2427 13.2427 15.9778 15.9778 k = 0.4129 0.2384 0.4887 ( 1892 PWs) bands (ev): -9.4840 -9.4840 -9.4688 -9.4688 -6.9877 -6.9877 -6.9206 -6.9206 -6.8905 -6.8905 -3.4319 -3.4319 0.4169 0.4169 4.4686 4.4686 6.0292 6.0292 6.7832 6.7832 10.8657 10.8657 12.0917 12.0917 13.3222 13.3222 15.8787 15.8787 k = 0.4091 0.2362 0.5010 ( 1892 PWs) bands (ev): -9.4843 -9.4843 -9.4690 -9.4690 -6.9906 -6.9906 -6.9210 -6.9210 -6.8895 -6.8895 -3.4125 -3.4125 0.4563 0.4563 4.3683 4.3683 5.9842 5.9842 6.7139 6.7139 10.9632 10.9632 12.1817 12.1817 13.3963 13.3963 15.7801 15.7801 k = 0.4053 0.2340 0.5134 ( 1892 PWs) bands (ev): -9.4847 -9.4847 -9.4691 -9.4691 -6.9934 -6.9934 -6.9214 -6.9214 -6.8885 -6.8885 -3.3939 -3.3939 0.4959 0.4959 4.2739 4.2739 5.9403 5.9403 6.6470 6.6470 11.0574 11.0574 12.2694 12.2694 13.4654 13.4654 15.6827 15.6827 k = 0.4015 0.2318 0.5258 ( 1892 PWs) bands (ev): -9.4851 -9.4851 -9.4691 -9.4691 -6.9961 -6.9961 -6.9217 -6.9217 -6.8875 -6.8875 -3.3762 -3.3762 0.5354 0.5354 4.1858 4.1858 5.8977 5.8977 6.5827 6.5827 11.1481 11.1481 12.3542 12.3542 13.5299 13.5299 15.5870 15.5870 k = 0.3977 0.2296 0.5381 ( 1894 PWs) bands (ev): -9.4855 -9.4855 -9.4692 -9.4692 -6.9988 -6.9988 -6.9221 -6.9221 -6.8864 -6.8864 -3.3597 -3.3597 0.5744 0.5744 4.1047 4.1047 5.8564 5.8564 6.5209 6.5209 11.2350 11.2350 12.4356 12.4356 13.5901 13.5901 15.4934 15.4934 k = 0.3939 0.2274 0.5505 ( 1894 PWs) bands (ev): -9.4858 -9.4858 -9.4692 -9.4692 -7.0014 -7.0014 -6.9224 -6.9224 -6.8854 -6.8854 -3.3445 -3.3445 0.6126 0.6126 4.0309 4.0309 5.8165 5.8165 6.4615 6.4615 11.3179 11.3179 12.5133 12.5133 13.6462 13.6462 15.4026 15.4026 k = 0.3902 0.2253 0.5629 ( 1890 PWs) bands (ev): -9.4862 -9.4862 -9.4692 -9.4692 -7.0038 -7.0038 -6.9227 -6.9227 -6.8844 -6.8844 -3.3308 -3.3308 0.6499 0.6499 3.9651 3.9651 5.7781 5.7781 6.4046 6.4046 11.3967 11.3967 12.5869 12.5869 13.6984 13.6984 15.3149 15.3149 k = 0.3864 0.2231 0.5753 ( 1893 PWs) bands (ev): -9.4866 -9.4866 -9.4693 -9.4693 -7.0061 -7.0061 -6.9229 -6.9229 -6.8834 -6.8834 -3.3188 -3.3188 0.6859 0.6859 3.9076 3.9076 5.7414 5.7414 6.3501 6.3501 11.4713 11.4713 12.6559 12.6559 13.7465 13.7466 15.2310 15.2310 k = 0.3826 0.2209 0.5876 ( 1891 PWs) bands (ev): -9.4869 -9.4869 -9.4693 -9.4693 -7.0082 -7.0082 -6.9232 -6.9232 -6.8824 -6.8824 -3.3087 -3.3087 0.7203 0.7203 3.8591 3.8591 5.7063 5.7063 6.2981 6.2981 11.5416 11.5416 12.7201 12.7201 13.7905 13.7905 15.1513 15.1513 k = 0.3788 0.2187 0.6000 ( 1891 PWs) bands (ev): -9.4872 -9.4872 -9.4693 -9.4693 -7.0101 -7.0101 -6.9234 -6.9234 -6.8815 -6.8815 -3.3007 -3.3007 0.7530 0.7530 3.8198 3.8198 5.6729 5.6729 6.2485 6.2485 11.6074 11.6074 12.7793 12.7793 13.8296 13.8296 15.0766 15.0766 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9237 -6.9237 -6.8806 -6.8806 -3.2948 -3.2948 0.7838 0.7838 3.7901 3.7901 5.6413 5.6413 6.2014 6.2014 11.6690 11.6690 12.8334 12.8334 13.8634 13.8634 15.0073 15.0073 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): -9.4875 -9.4875 -9.4693 -9.4693 -7.0119 -7.0119 -6.9237 -6.9237 -6.8806 -6.8806 -3.2948 -3.2948 0.7838 0.7838 3.7901 3.7901 5.6413 5.6413 6.2014 6.2014 11.6690 11.6690 12.8334 12.8334 13.8634 13.8634 15.0073 15.0073 k = 0.6184-0.0836 0.4082 ( 1890 PWs) bands (ev): -9.4881 -9.4881 -9.4692 -9.4692 -7.0147 -7.0147 -6.9241 -6.9241 -6.8792 -6.8792 -3.2874 -3.2874 0.8365 0.8365 3.7480 3.7480 5.5889 5.5889 6.1226 6.1226 11.7708 11.7708 12.9190 12.9190 13.9172 13.9172 14.8992 14.8992 k = 0.6118-0.0950 0.4082 ( 1894 PWs) bands (ev): -9.4886 -9.4886 -9.4692 -9.4692 -7.0175 -7.0175 -6.9245 -6.9245 -6.8777 -6.8777 -3.2813 -3.2813 0.8913 0.8913 3.7078 3.7078 5.5382 5.5382 6.0459 6.0459 11.8699 11.8699 12.9959 12.9959 13.9717 13.9717 14.8064 14.8064 k = 0.6053-0.1064 0.4082 ( 1896 PWs) bands (ev): -9.4891 -9.4891 -9.4692 -9.4692 -7.0202 -7.0202 -6.9249 -6.9249 -6.8763 -6.8763 -3.2764 -3.2764 0.9476 0.9476 3.6696 3.6696 5.4891 5.4891 5.9715 5.9715 11.9656 11.9656 13.0617 13.0617 14.0274 14.0274 14.7305 14.7305 k = 0.5987-0.1177 0.4082 ( 1896 PWs) bands (ev): -9.4896 -9.4896 -9.4692 -9.4692 -7.0228 -7.0228 -6.9253 -6.9253 -6.8749 -6.8749 -3.2726 -3.2726 1.0050 1.0050 3.6335 3.6335 5.4417 5.4417 5.8998 5.8998 12.0572 12.0572 13.1145 13.1145 14.0846 14.0846 14.6727 14.6727 k = 0.5921-0.1291 0.4082 ( 1896 PWs) bands (ev): -9.4901 -9.4901 -9.4692 -9.4692 -7.0253 -7.0253 -6.9257 -6.9257 -6.8736 -6.8736 -3.2698 -3.2698 1.0629 1.0629 3.5995 3.5995 5.3961 5.3961 5.8309 5.8309 12.1439 12.1439 13.1530 13.1530 14.1436 14.1436 14.6337 14.6337 k = 0.5855-0.1405 0.4082 ( 1886 PWs) bands (ev): -9.4905 -9.4905 -9.4692 -9.4692 -7.0277 -7.0277 -6.9260 -6.9260 -6.8723 -6.8723 -3.2677 -3.2677 1.1208 1.1208 3.5676 3.5676 5.3523 5.3523 5.7654 5.7654 12.2249 12.2249 13.1774 13.1774 14.2044 14.2044 14.6131 14.6131 k = 0.5789-0.1519 0.4082 ( 1894 PWs) bands (ev): -9.4910 -9.4910 -9.4692 -9.4692 -7.0299 -7.0299 -6.9264 -6.9264 -6.8711 -6.8711 -3.2664 -3.2664 1.1782 1.1782 3.5379 3.5379 5.3102 5.3102 5.7034 5.7034 12.2991 12.2991 13.1895 13.1895 14.2660 14.2660 14.6097 14.6097 k = 0.5724-0.1633 0.4082 ( 1898 PWs) bands (ev): -9.4914 -9.4914 -9.4691 -9.4691 -7.0320 -7.0320 -6.9267 -6.9267 -6.8700 -6.8700 -3.2655 -3.2655 1.2343 1.2343 3.5104 3.5104 5.2698 5.2698 5.6453 5.6453 12.3655 12.3655 13.1923 13.1923 14.3268 14.3268 14.6217 14.6217 k = 0.5658-0.1747 0.4082 ( 1900 PWs) bands (ev): -9.4918 -9.4918 -9.4691 -9.4691 -7.0340 -7.0340 -6.9270 -6.9270 -6.8689 -6.8689 -3.2651 -3.2651 1.2887 1.2887 3.4851 3.4851 5.2314 5.2314 5.5917 5.5917 12.4231 12.4231 13.1894 13.1894 14.3846 14.3846 14.6474 14.6474 k = 0.5592-0.1861 0.4082 ( 1900 PWs) bands (ev): -9.4922 -9.4922 -9.4691 -9.4691 -7.0358 -7.0358 -6.9273 -6.9273 -6.8679 -6.8679 -3.2651 -3.2651 1.3406 1.3406 3.4622 3.4622 5.1948 5.1948 5.5427 5.5427 12.4710 12.4710 13.1846 13.1846 14.4371 14.4371 14.6844 14.6844 k = 0.5526-0.1975 0.4082 ( 1896 PWs) bands (ev): -9.4926 -9.4926 -9.4691 -9.4691 -7.0374 -7.0374 -6.9276 -6.9276 -6.8670 -6.8670 -3.2653 -3.2653 1.3894 1.3894 3.4415 3.4415 5.1605 5.1605 5.4987 5.4987 12.5087 12.5087 13.1808 13.1808 14.4833 14.4833 14.7298 14.7298 k = 0.5461-0.2089 0.4082 ( 1900 PWs) bands (ev): -9.4929 -9.4929 -9.4691 -9.4691 -7.0389 -7.0389 -6.9278 -6.9278 -6.8662 -6.8662 -3.2657 -3.2657 1.4345 1.4345 3.4231 3.4231 5.1286 5.1286 5.4598 5.4598 12.5362 12.5362 13.1799 13.1799 14.5230 14.5230 14.7800 14.7800 k = 0.5395-0.2203 0.4082 ( 1902 PWs) bands (ev): -9.4932 -9.4932 -9.4690 -9.4690 -7.0401 -7.0401 -6.9280 -6.9280 -6.8655 -6.8655 -3.2662 -3.2662 1.4753 1.4753 3.4072 3.4072 5.0995 5.0995 5.4263 5.4263 12.5546 12.5546 13.1824 13.1824 14.5568 14.5568 14.8310 14.8310 k = 0.5329-0.2317 0.4082 ( 1898 PWs) bands (ev): -9.4934 -9.4934 -9.4690 -9.4690 -7.0412 -7.0412 -6.9282 -6.9282 -6.8648 -6.8648 -3.2667 -3.2667 1.5110 1.5110 3.3936 3.3936 5.0738 5.0738 5.3980 5.3980 12.5653 12.5653 13.1879 13.1879 14.5852 14.5852 14.8794 14.8794 k = 0.5263-0.2431 0.4082 ( 1896 PWs) bands (ev): -9.4936 -9.4936 -9.4690 -9.4690 -7.0421 -7.0421 -6.9284 -6.9284 -6.8643 -6.8643 -3.2672 -3.2672 1.5411 1.5411 3.3825 3.3825 5.0518 5.0518 5.3751 5.3751 12.5706 12.5706 13.1952 13.1952 14.6086 14.6086 14.9225 14.9225 k = 0.5197-0.2545 0.4082 ( 1892 PWs) bands (ev): -9.4938 -9.4938 -9.4690 -9.4690 -7.0428 -7.0428 -6.9285 -6.9285 -6.8639 -6.8639 -3.2676 -3.2676 1.5651 1.5651 3.3738 3.3738 5.0341 5.0341 5.3574 5.3574 12.5723 12.5723 13.2026 13.2026 14.6269 14.6269 14.9582 14.9582 k = 0.5132-0.2659 0.4082 ( 1892 PWs) bands (ev): -9.4939 -9.4939 -9.4690 -9.4690 -7.0433 -7.0433 -6.9286 -6.9286 -6.8637 -6.8637 -3.2679 -3.2679 1.5826 1.5826 3.3675 3.3675 5.0211 5.0211 5.3448 5.3448 12.5723 12.5723 13.2090 13.2090 14.6401 14.6401 14.9848 14.9848 k = 0.5066-0.2773 0.4082 ( 1876 PWs) bands (ev): -9.4939 -9.4939 -9.4690 -9.4690 -7.0436 -7.0436 -6.9286 -6.9286 -6.8635 -6.8635 -3.2681 -3.2681 1.5933 1.5933 3.3638 3.3638 5.0131 5.0131 5.3373 5.3373 12.5718 12.5718 13.2133 13.2133 14.6481 14.6481 15.0012 15.0012 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -9.4940 -9.4940 -9.4690 -9.4690 -7.0437 -7.0437 -6.9286 -6.9286 -6.8634 -6.8634 -3.2682 -3.2682 1.5968 1.5968 3.3625 3.3625 5.0104 5.0104 5.3348 5.3348 12.5715 12.5715 13.2148 13.2148 14.6508 14.6508 15.0068 15.0068 Writing output data file PbS.save init_run : 0.14s CPU 0.25s WALL ( 1 calls) electrons : 45.57s CPU 46.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 45.57s CPU 46.79s 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 ( 356 calls) cegterg : 42.00s CPU 42.90s WALL ( 490 calls) Called by sum_band: Called by *egterg: h_psi : 18.44s CPU 18.97s WALL ( 7848 calls) s_psi : 0.80s CPU 0.91s WALL ( 7848 calls) g_psi : 0.05s CPU 0.05s WALL ( 7002 calls) cdiaghg : 21.66s CPU 22.04s WALL ( 7358 calls) cegterg:over : 1.30s CPU 1.23s WALL ( 7002 calls) cegterg:upda : 0.94s CPU 0.97s WALL ( 7002 calls) cegterg:last : 0.44s CPU 0.46s WALL ( 1118 calls) cdiaghg:chol : 1.33s CPU 1.12s WALL ( 7358 calls) cdiaghg:inve : 0.48s CPU 0.46s WALL ( 7358 calls) cdiaghg:para : 1.30s CPU 1.37s WALL ( 14716 calls) Called by h_psi: h_psi:vloc : 16.39s CPU 16.91s WALL ( 7848 calls) h_psi:vnl : 1.99s CPU 2.02s WALL ( 7848 calls) add_vuspsi : 1.07s CPU 1.14s WALL ( 7848 calls) General routines calbec : 0.90s CPU 0.86s WALL ( 7848 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.46s CPU 15.84s WALL ( 371232 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.08s WALL ( 712 calls) Parallel routines fft_scatter : 7.77s CPU 7.96s WALL ( 371255 calls) PWSCF : 0m53.46s CPU 1m 8.35s WALL This run was terminated on: 21: 6:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=