Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 35 22 6 830 410 66 Max 36 23 7 835 431 69 Sum 1273 805 241 29939 15065 2445 bravais-lattice index = 14 lattice parameter (alat) = 7.6339 a.u. unit-cell volume = 314.5786 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.633928 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 F 7.00 18.99840 F( 1.00) Sr 10.00 87.62000 Sr( 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= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0090909 -0.0052486 0.0074227), wk = 0.0027248 k( 3) = ( 0.0181818 -0.0104973 0.0148454), wk = 0.0027248 k( 4) = ( 0.0272727 -0.0157459 0.0222681), wk = 0.0027248 k( 5) = ( 0.0363636 -0.0209946 0.0296908), wk = 0.0027248 k( 6) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0027248 k( 7) = ( 0.0545455 -0.0314918 0.0445362), wk = 0.0027248 k( 8) = ( 0.0636364 -0.0367405 0.0519589), wk = 0.0027248 k( 9) = ( 0.0727273 -0.0419891 0.0593816), wk = 0.0027248 k( 10) = ( 0.0818182 -0.0472377 0.0668043), wk = 0.0027248 k( 11) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0027248 k( 12) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0027248 k( 13) = ( 0.1090909 -0.0629837 0.0890724), wk = 0.0027248 k( 14) = ( 0.1181818 -0.0682323 0.0964951), wk = 0.0027248 k( 15) = ( 0.1272727 -0.0734809 0.1039177), wk = 0.0027248 k( 16) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0027248 k( 17) = ( 0.1454545 -0.0839782 0.1187631), wk = 0.0027248 k( 18) = ( 0.1545455 -0.0892269 0.1261858), wk = 0.0027248 k( 19) = ( 0.1636364 -0.0944755 0.1336085), wk = 0.0027248 k( 20) = ( 0.1727273 -0.0997241 0.1410312), wk = 0.0027248 k( 21) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0027248 k( 22) = ( 0.1909091 -0.1102214 0.1558766), wk = 0.0027248 k( 23) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0027248 k( 24) = ( 0.2090909 -0.1207187 0.1707220), wk = 0.0027248 k( 25) = ( 0.2181818 -0.1259673 0.1781447), wk = 0.0027248 k( 26) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0027248 k( 27) = ( 0.2363636 -0.1364646 0.1929901), wk = 0.0027248 k( 28) = ( 0.2454545 -0.1417133 0.2004128), wk = 0.0027248 k( 29) = ( 0.2545455 -0.1469619 0.2078355), wk = 0.0027248 k( 30) = ( 0.2636364 -0.1522105 0.2152582), wk = 0.0027248 k( 31) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0027248 k( 32) = ( 0.2818182 -0.1627078 0.2301036), wk = 0.0027248 k( 33) = ( 0.2909091 -0.1679564 0.2375263), wk = 0.0027248 k( 34) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0027248 k( 35) = ( 0.3090909 -0.1784537 0.2523717), wk = 0.0027248 k( 36) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0027248 k( 37) = ( 0.3272727 -0.1889510 0.2672171), wk = 0.0027248 k( 38) = ( 0.3363636 -0.1941996 0.2746398), wk = 0.0027248 k( 39) = ( 0.3454546 -0.1994483 0.2820625), wk = 0.0027248 k( 40) = ( 0.3545454 -0.2046969 0.2894851), wk = 0.0027248 k( 41) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0027248 k( 42) = ( 0.3727273 -0.2151942 0.3043305), wk = 0.0027248 k( 43) = ( 0.3818182 -0.2204428 0.3117532), wk = 0.0027248 k( 44) = ( 0.3909091 -0.2256915 0.3191759), wk = 0.0027248 k( 45) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0027248 k( 46) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0027248 k( 47) = ( 0.4181818 -0.2414374 0.3414440), wk = 0.0027248 k( 48) = ( 0.4272727 -0.2466860 0.3488667), wk = 0.0027248 k( 49) = ( 0.4363636 -0.2519347 0.3562894), wk = 0.0027248 k( 50) = ( 0.4454546 -0.2571833 0.3637121), wk = 0.0027248 k( 51) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0027248 k( 52) = ( 0.4636364 -0.2676806 0.3785575), wk = 0.0027248 k( 53) = ( 0.4727273 -0.2729292 0.3859802), wk = 0.0027248 k( 54) = ( 0.4818182 -0.2781779 0.3934029), wk = 0.0027248 k( 55) = ( 0.4909091 -0.2834265 0.4008256), wk = 0.0027248 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027248 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027248 k( 58) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0027248 k( 59) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0027248 k( 60) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0027248 k( 61) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0027248 k( 62) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0027248 k( 63) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0027248 k( 64) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0027248 k( 65) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0027248 k( 66) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0027248 k( 67) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0027248 k( 68) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0027248 k( 69) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0027248 k( 70) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0027248 k( 71) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0027248 k( 72) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0027248 k( 73) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0027248 k( 74) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0027248 k( 75) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0027248 k( 76) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0027248 k( 77) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0027248 k( 78) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0027248 k( 79) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0027248 k( 80) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0027248 k( 81) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0027248 k( 82) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0027248 k( 83) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0027248 k( 84) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0027248 k( 85) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027248 k( 86) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027248 k( 87) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027248 k( 88) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027248 k( 89) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027248 k( 90) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027248 k( 91) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027248 k( 92) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027248 k( 93) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027248 k( 94) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027248 k( 95) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027248 k( 96) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027248 k( 97) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027248 k( 98) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027248 k( 99) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027248 k( 100) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027248 k( 101) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027248 k( 102) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027248 k( 103) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027248 k( 104) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027248 k( 105) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027248 k( 106) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027248 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027248 k( 108) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0027248 k( 109) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0027248 k( 110) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0027248 k( 111) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0027248 k( 112) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0027248 k( 113) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0027248 k( 114) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0027248 k( 115) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0027248 k( 116) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0027248 k( 117) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0027248 k( 118) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0027248 k( 119) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0027248 k( 120) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0027248 k( 121) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0027248 k( 122) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0027248 k( 123) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0027248 k( 124) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0027248 k( 125) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0027248 k( 126) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0027248 k( 127) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0027248 k( 128) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0027248 k( 129) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0027248 k( 130) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0027248 k( 131) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0027248 k( 132) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0027248 k( 133) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0027248 k( 134) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0027248 k( 135) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0027248 k( 136) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0027248 k( 137) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0027248 k( 138) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0027248 k( 139) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0027248 k( 140) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0027248 k( 141) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0027248 k( 142) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0027248 k( 143) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0027248 k( 144) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0027248 k( 145) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0027248 k( 146) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0027248 k( 147) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0027248 k( 148) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0027248 k( 149) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0027248 k( 150) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0027248 k( 151) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0027248 k( 152) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0027248 k( 153) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0027248 k( 154) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0027248 k( 155) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0027248 k( 156) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0027248 k( 157) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0027248 k( 158) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0027248 k( 159) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0027248 k( 160) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0027248 k( 161) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0027248 k( 162) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0027248 k( 163) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0027248 k( 164) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0027248 k( 165) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 168) = ( 0.0104167 0.0060141 0.0042526), wk = 0.0027248 k( 169) = ( 0.0208333 0.0120281 0.0085052), wk = 0.0027248 k( 170) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0027248 k( 171) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0027248 k( 172) = ( 0.0520833 0.0300703 0.0212629), wk = 0.0027248 k( 173) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0027248 k( 174) = ( 0.0729167 0.0420985 0.0297681), wk = 0.0027248 k( 175) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0027248 k( 176) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0027248 k( 177) = ( 0.1041667 0.0601407 0.0425259), wk = 0.0027248 k( 178) = ( 0.1145833 0.0661547 0.0467784), wk = 0.0027248 k( 179) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0027248 k( 180) = ( 0.1354167 0.0781829 0.0552836), wk = 0.0027248 k( 181) = ( 0.1458333 0.0841969 0.0595362), wk = 0.0027248 k( 182) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0027248 k( 183) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0027248 k( 184) = ( 0.1770833 0.1022391 0.0722940), wk = 0.0027248 k( 185) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0027248 k( 186) = ( 0.1979167 0.1142672 0.0807991), wk = 0.0027248 k( 187) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0027248 k( 188) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0027248 k( 189) = ( 0.2291667 0.1323094 0.0935569), wk = 0.0027248 k( 190) = ( 0.2395833 0.1383235 0.0978095), wk = 0.0027248 k( 191) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0027248 k( 192) = ( 0.2604167 0.1503516 0.1063147), wk = 0.0027248 k( 193) = ( 0.2708333 0.1563657 0.1105672), wk = 0.0027248 k( 194) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0027248 k( 195) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0027248 k( 196) = ( 0.3020833 0.1744079 0.1233250), wk = 0.0027248 k( 197) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0027248 k( 198) = ( 0.3229167 0.1864360 0.1318302), wk = 0.0027248 k( 199) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0027248 k( 200) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0027248 k( 201) = ( 0.3541667 0.2044782 0.1445879), wk = 0.0027248 k( 202) = ( 0.3645833 0.2104923 0.1488405), wk = 0.0027248 k( 203) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0027248 k( 204) = ( 0.3854167 0.2225204 0.1573457), wk = 0.0027248 k( 205) = ( 0.3958333 0.2285345 0.1615983), wk = 0.0027248 k( 206) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0027248 k( 207) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0027248 k( 208) = ( 0.4270833 0.2465767 0.1743560), wk = 0.0027248 k( 209) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0027248 k( 210) = ( 0.4479167 0.2586048 0.1828612), wk = 0.0027248 k( 211) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0027248 k( 212) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0027248 k( 213) = ( 0.4791667 0.2766470 0.1956190), wk = 0.0027248 k( 214) = ( 0.4895833 0.2826611 0.1998716), wk = 0.0027248 k( 215) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 216) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 217) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027248 k( 218) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027248 k( 219) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027248 k( 220) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027248 k( 221) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027248 k( 222) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027248 k( 223) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027248 k( 224) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027248 k( 225) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027248 k( 226) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027248 k( 227) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027248 k( 228) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027248 k( 229) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027248 k( 230) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027248 k( 231) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027248 k( 232) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027248 k( 233) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027248 k( 234) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027248 k( 235) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027248 k( 236) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027248 k( 237) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027248 k( 238) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027248 k( 239) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027248 k( 240) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027248 k( 241) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027248 k( 242) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027248 k( 243) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027248 k( 244) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027248 k( 245) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027248 k( 246) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027248 k( 247) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027248 k( 248) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027248 k( 249) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027248 k( 250) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027248 k( 251) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027248 k( 252) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027248 k( 253) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027248 k( 254) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027248 k( 255) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027248 k( 256) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027248 k( 257) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027248 k( 258) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027248 k( 259) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027248 k( 260) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027248 k( 261) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027248 k( 262) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027248 k( 263) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027248 k( 264) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027248 k( 265) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027248 k( 266) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027248 k( 267) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027248 k( 268) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027248 k( 269) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027248 k( 270) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027248 k( 271) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027248 k( 272) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027248 k( 273) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027248 k( 274) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027248 k( 275) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027248 k( 276) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027248 k( 277) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027248 k( 278) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027248 k( 279) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027248 k( 280) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027248 k( 281) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027248 k( 282) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027248 k( 283) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027248 k( 284) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027248 k( 285) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027248 k( 286) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027248 k( 287) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027248 k( 288) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027248 k( 289) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027248 k( 290) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027248 k( 291) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027248 k( 292) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027248 k( 293) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027248 k( 294) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027248 k( 295) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027248 k( 296) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027248 k( 297) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027248 k( 298) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027248 k( 299) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027248 k( 300) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027248 k( 301) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027248 k( 302) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027248 k( 303) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027248 k( 304) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027248 k( 305) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027248 k( 306) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027248 k( 307) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027248 k( 308) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027248 k( 309) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027248 k( 310) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027248 k( 311) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 312) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 313) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027248 k( 314) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027248 k( 315) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027248 k( 316) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027248 k( 317) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027248 k( 318) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027248 k( 319) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027248 k( 320) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027248 k( 321) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027248 k( 322) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027248 k( 323) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027248 k( 324) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027248 k( 325) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027248 k( 326) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027248 k( 327) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027248 k( 328) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027248 k( 329) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027248 k( 330) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027248 k( 331) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027248 k( 332) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027248 k( 333) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027248 k( 334) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027248 k( 335) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027248 k( 336) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027248 k( 337) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027248 k( 338) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027248 k( 339) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027248 k( 340) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027248 k( 341) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027248 k( 342) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027248 k( 343) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027248 k( 344) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027248 k( 345) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027248 k( 346) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027248 k( 347) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027248 k( 348) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027248 k( 349) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027248 k( 350) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027248 k( 351) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027248 k( 352) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027248 k( 353) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027248 k( 354) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027248 k( 355) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027248 k( 356) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027248 k( 357) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027248 k( 358) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027248 k( 359) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027248 k( 360) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027248 k( 361) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027248 k( 362) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027248 k( 363) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027248 k( 364) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027248 k( 365) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027248 k( 366) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027248 k( 367) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0090909 -0.0000000 0.0090909), wk = 0.0027248 k( 3) = ( 0.0181818 -0.0000000 0.0181818), wk = 0.0027248 k( 4) = ( 0.0272727 0.0000000 0.0272727), wk = 0.0027248 k( 5) = ( 0.0363636 -0.0000000 0.0363636), wk = 0.0027248 k( 6) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0027248 k( 7) = ( 0.0545455 0.0000000 0.0545455), wk = 0.0027248 k( 8) = ( 0.0636364 -0.0000000 0.0636364), wk = 0.0027248 k( 9) = ( 0.0727273 -0.0000000 0.0727273), wk = 0.0027248 k( 10) = ( 0.0818182 -0.0000000 0.0818182), wk = 0.0027248 k( 11) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0027248 k( 12) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0027248 k( 13) = ( 0.1090909 0.0000000 0.1090909), wk = 0.0027248 k( 14) = ( 0.1181818 0.0000000 0.1181818), wk = 0.0027248 k( 15) = ( 0.1272727 -0.0000000 0.1272727), wk = 0.0027248 k( 16) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0027248 k( 17) = ( 0.1454545 -0.0000000 0.1454545), wk = 0.0027248 k( 18) = ( 0.1545455 -0.0000000 0.1545455), wk = 0.0027248 k( 19) = ( 0.1636364 -0.0000000 0.1636364), wk = 0.0027248 k( 20) = ( 0.1727273 -0.0000000 0.1727273), wk = 0.0027248 k( 21) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0027248 k( 22) = ( 0.1909091 -0.0000000 0.1909091), wk = 0.0027248 k( 23) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0027248 k( 24) = ( 0.2090909 0.0000000 0.2090909), wk = 0.0027248 k( 25) = ( 0.2181818 0.0000000 0.2181818), wk = 0.0027248 k( 26) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0027248 k( 27) = ( 0.2363636 0.0000000 0.2363636), wk = 0.0027248 k( 28) = ( 0.2454545 0.0000000 0.2454545), wk = 0.0027248 k( 29) = ( 0.2545455 -0.0000000 0.2545455), wk = 0.0027248 k( 30) = ( 0.2636364 -0.0000000 0.2636364), wk = 0.0027248 k( 31) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0027248 k( 32) = ( 0.2818182 -0.0000000 0.2818182), wk = 0.0027248 k( 33) = ( 0.2909091 -0.0000000 0.2909091), wk = 0.0027248 k( 34) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0027248 k( 35) = ( 0.3090909 -0.0000000 0.3090909), wk = 0.0027248 k( 36) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0027248 k( 37) = ( 0.3272727 -0.0000000 0.3272727), wk = 0.0027248 k( 38) = ( 0.3363636 -0.0000000 0.3363636), wk = 0.0027248 k( 39) = ( 0.3454546 0.0000000 0.3454546), wk = 0.0027248 k( 40) = ( 0.3545454 -0.0000000 0.3545454), wk = 0.0027248 k( 41) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0027248 k( 42) = ( 0.3727273 -0.0000000 0.3727273), wk = 0.0027248 k( 43) = ( 0.3818182 -0.0000000 0.3818182), wk = 0.0027248 k( 44) = ( 0.3909091 -0.0000000 0.3909091), wk = 0.0027248 k( 45) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0027248 k( 46) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0027248 k( 47) = ( 0.4181818 0.0000000 0.4181818), wk = 0.0027248 k( 48) = ( 0.4272727 -0.0000000 0.4272727), wk = 0.0027248 k( 49) = ( 0.4363636 0.0000000 0.4363636), wk = 0.0027248 k( 50) = ( 0.4454546 0.0000000 0.4454546), wk = 0.0027248 k( 51) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0027248 k( 52) = ( 0.4636364 -0.0000000 0.4636364), wk = 0.0027248 k( 53) = ( 0.4727273 0.0000000 0.4727273), wk = 0.0027248 k( 54) = ( 0.4818182 -0.0000000 0.4818182), wk = 0.0027248 k( 55) = ( 0.4909091 -0.0000000 0.4909091), wk = 0.0027248 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 58) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0027248 k( 59) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0027248 k( 60) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0027248 k( 61) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0027248 k( 62) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0027248 k( 63) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0027248 k( 64) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0027248 k( 65) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0027248 k( 66) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0027248 k( 67) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0027248 k( 68) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0027248 k( 69) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0027248 k( 70) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0027248 k( 71) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0027248 k( 72) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0027248 k( 73) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0027248 k( 74) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0027248 k( 75) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0027248 k( 76) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0027248 k( 77) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0027248 k( 78) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0027248 k( 79) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0027248 k( 80) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0027248 k( 81) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0027248 k( 82) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0027248 k( 83) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0027248 k( 84) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0027248 k( 85) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 87) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027248 k( 88) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027248 k( 89) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027248 k( 90) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027248 k( 91) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027248 k( 92) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027248 k( 93) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027248 k( 94) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027248 k( 95) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027248 k( 96) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027248 k( 97) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027248 k( 98) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027248 k( 99) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027248 k( 100) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027248 k( 101) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027248 k( 102) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027248 k( 103) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027248 k( 104) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027248 k( 105) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027248 k( 106) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027248 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027248 k( 108) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0027248 k( 109) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0027248 k( 110) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0027248 k( 111) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0027248 k( 112) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0027248 k( 113) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0027248 k( 114) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0027248 k( 115) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0027248 k( 116) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0027248 k( 117) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0027248 k( 118) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0027248 k( 119) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0027248 k( 120) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0027248 k( 121) = ( 0.2860169 0.2860169 0.5720339), wk = 0.0027248 k( 122) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0027248 k( 123) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0027248 k( 124) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0027248 k( 125) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0027248 k( 126) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0027248 k( 127) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0027248 k( 128) = ( 0.2415254 0.2415254 0.4830508), wk = 0.0027248 k( 129) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0027248 k( 130) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0027248 k( 131) = ( 0.2224576 0.2224576 0.4449152), wk = 0.0027248 k( 132) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0027248 k( 133) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0027248 k( 134) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0027248 k( 135) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0027248 k( 136) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0027248 k( 137) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0027248 k( 138) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0027248 k( 139) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0027248 k( 140) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0027248 k( 141) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0027248 k( 142) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0027248 k( 143) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0027248 k( 144) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0027248 k( 145) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0027248 k( 146) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0027248 k( 147) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0027248 k( 148) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0027248 k( 149) = ( 0.1080509 0.1080509 0.2161017), wk = 0.0027248 k( 150) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0027248 k( 151) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0027248 k( 152) = ( 0.0889830 0.0889830 0.1779661), wk = 0.0027248 k( 153) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0027248 k( 154) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0027248 k( 155) = ( 0.0699152 0.0699152 0.1398305), wk = 0.0027248 k( 156) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0027248 k( 157) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0027248 k( 158) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0027248 k( 159) = ( 0.0444915 0.0444915 0.0889830), wk = 0.0027248 k( 160) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0027248 k( 161) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0027248 k( 162) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0027248 k( 163) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0027248 k( 164) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0027248 k( 165) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 168) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0027248 k( 169) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0027248 k( 170) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027248 k( 171) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0027248 k( 172) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0027248 k( 173) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027248 k( 174) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0027248 k( 175) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0027248 k( 176) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027248 k( 177) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0027248 k( 178) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0027248 k( 179) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027248 k( 180) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0027248 k( 181) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0027248 k( 182) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027248 k( 183) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027248 k( 184) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0027248 k( 185) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027248 k( 186) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0027248 k( 187) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0027248 k( 188) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027248 k( 189) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0027248 k( 190) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0027248 k( 191) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 192) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0027248 k( 193) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0027248 k( 194) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027248 k( 195) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0027248 k( 196) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0027248 k( 197) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027248 k( 198) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0027248 k( 199) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027248 k( 200) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027248 k( 201) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0027248 k( 202) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0027248 k( 203) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027248 k( 204) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0027248 k( 205) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0027248 k( 206) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027248 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0027248 k( 208) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0027248 k( 209) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027248 k( 210) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0027248 k( 211) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0027248 k( 212) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027248 k( 213) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0027248 k( 214) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0027248 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 217) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027248 k( 218) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027248 k( 219) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027248 k( 220) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027248 k( 221) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027248 k( 222) = ( 0.5220588 0.4558823 0.5220588), wk = 0.0027248 k( 223) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027248 k( 224) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027248 k( 225) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027248 k( 226) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027248 k( 227) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027248 k( 228) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027248 k( 229) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027248 k( 230) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027248 k( 231) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027248 k( 232) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027248 k( 233) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027248 k( 234) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027248 k( 235) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027248 k( 236) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027248 k( 237) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027248 k( 238) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027248 k( 239) = ( 0.5845588 0.3308823 0.5845588), wk = 0.0027248 k( 240) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027248 k( 241) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027248 k( 242) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027248 k( 243) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027248 k( 244) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027248 k( 245) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027248 k( 246) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027248 k( 247) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027248 k( 248) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027248 k( 249) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027248 k( 250) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027248 k( 251) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027248 k( 252) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027248 k( 253) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027248 k( 254) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027248 k( 255) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027248 k( 256) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027248 k( 257) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027248 k( 258) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027248 k( 259) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027248 k( 260) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027248 k( 261) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027248 k( 262) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027248 k( 263) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027248 k( 264) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027248 k( 265) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027248 k( 266) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027248 k( 267) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027248 k( 268) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027248 k( 269) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027248 k( 270) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027248 k( 271) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 272) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 273) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027248 k( 274) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027248 k( 275) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027248 k( 276) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027248 k( 277) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027248 k( 278) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027248 k( 279) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027248 k( 280) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027248 k( 281) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027248 k( 282) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027248 k( 283) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027248 k( 284) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027248 k( 285) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027248 k( 286) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027248 k( 287) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0027248 k( 288) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027248 k( 289) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027248 k( 290) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027248 k( 291) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027248 k( 292) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027248 k( 293) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027248 k( 294) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027248 k( 295) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027248 k( 296) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0027248 k( 297) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027248 k( 298) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027248 k( 299) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027248 k( 300) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027248 k( 301) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027248 k( 302) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027248 k( 303) = ( 0.5000000 0.4487180 0.5512820), wk = 0.0027248 k( 304) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027248 k( 305) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027248 k( 306) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027248 k( 307) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027248 k( 308) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027248 k( 309) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027248 k( 310) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027248 k( 311) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 312) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 313) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027248 k( 314) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027248 k( 315) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027248 k( 316) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027248 k( 317) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027248 k( 318) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027248 k( 319) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027248 k( 320) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027248 k( 321) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027248 k( 322) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027248 k( 323) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027248 k( 324) = ( 0.4558823 0.4558823 0.5882353), wk = 0.0027248 k( 325) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027248 k( 326) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027248 k( 327) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027248 k( 328) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027248 k( 329) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027248 k( 330) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027248 k( 331) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027248 k( 332) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027248 k( 333) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027248 k( 334) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027248 k( 335) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027248 k( 336) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027248 k( 337) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027248 k( 338) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027248 k( 339) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027248 k( 340) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027248 k( 341) = ( 0.3933823 0.3933823 0.7132353), wk = 0.0027248 k( 342) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027248 k( 343) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027248 k( 344) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027248 k( 345) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027248 k( 346) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027248 k( 347) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027248 k( 348) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027248 k( 349) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027248 k( 350) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027248 k( 351) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027248 k( 352) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027248 k( 353) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027248 k( 354) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027248 k( 355) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027248 k( 356) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027248 k( 357) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027248 k( 358) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027248 k( 359) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027248 k( 360) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027248 k( 361) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027248 k( 362) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027248 k( 363) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027248 k( 364) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027248 k( 365) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027248 k( 366) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027248 k( 367) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 Dense grid: 29939 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 15065 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 112, 32) NL pseudopotentials 0.05 Mb ( 56, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 832) G-vector shells 0.00 Mb ( 279) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 112, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrF2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs 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 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 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 3.6 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 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.1 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.6 secs Computing kpt #: 19 total cpu time spent up to now is 4.7 secs Computing kpt #: 20 total cpu time spent up to now is 4.9 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.1 secs Computing kpt #: 23 total cpu time spent up to now is 5.3 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.7 secs Computing kpt #: 27 total cpu time spent up to now is 5.8 secs Computing kpt #: 28 total cpu time spent up to now is 5.9 secs Computing kpt #: 29 total cpu time spent up to now is 6.1 secs Computing kpt #: 30 total cpu time spent up to now is 6.2 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.5 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.7 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.0 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.3 secs Computing kpt #: 39 total cpu time spent up to now is 7.4 secs Computing kpt #: 40 total cpu time spent up to now is 7.6 secs Computing kpt #: 41 total cpu time spent up to now is 7.7 secs Computing kpt #: 42 total cpu time spent up to now is 7.8 secs Computing kpt #: 43 total cpu time spent up to now is 8.0 secs Computing kpt #: 44 total cpu time spent up to now is 8.1 secs Computing kpt #: 45 total cpu time spent up to now is 8.3 secs Computing kpt #: 46 total cpu time spent up to now is 8.4 secs Computing kpt #: 47 total cpu time spent up to now is 8.6 secs Computing kpt #: 48 total cpu time spent up to now is 8.7 secs Computing kpt #: 49 total cpu time spent up to now is 8.8 secs Computing kpt #: 50 total cpu time spent up to now is 9.0 secs Computing kpt #: 51 total cpu time spent up to now is 9.2 secs Computing kpt #: 52 total cpu time spent up to now is 9.3 secs Computing kpt #: 53 total cpu time spent up to now is 9.5 secs Computing kpt #: 54 total cpu time spent up to now is 9.7 secs Computing kpt #: 55 total cpu time spent up to now is 9.8 secs Computing kpt #: 56 total cpu time spent up to now is 10.0 secs Computing kpt #: 57 total cpu time spent up to now is 10.1 secs Computing kpt #: 58 total cpu time spent up to now is 10.3 secs Computing kpt #: 59 total cpu time spent up to now is 10.5 secs Computing kpt #: 60 total cpu time spent up to now is 10.6 secs Computing kpt #: 61 total cpu time spent up to now is 10.7 secs Computing kpt #: 62 total cpu time spent up to now is 10.9 secs Computing kpt #: 63 total cpu time spent up to now is 11.0 secs Computing kpt #: 64 total cpu time spent up to now is 11.2 secs Computing kpt #: 65 total cpu time spent up to now is 11.3 secs Computing kpt #: 66 total cpu time spent up to now is 11.5 secs Computing kpt #: 67 total cpu time spent up to now is 11.6 secs Computing kpt #: 68 total cpu time spent up to now is 11.7 secs Computing kpt #: 69 total cpu time spent up to now is 11.9 secs Computing kpt #: 70 total cpu time spent up to now is 12.0 secs Computing kpt #: 71 total cpu time spent up to now is 12.2 secs Computing kpt #: 72 total cpu time spent up to now is 12.3 secs Computing kpt #: 73 total cpu time spent up to now is 12.4 secs Computing kpt #: 74 total cpu time spent up to now is 12.6 secs Computing kpt #: 75 total cpu time spent up to now is 12.7 secs Computing kpt #: 76 total cpu time spent up to now is 12.8 secs Computing kpt #: 77 total cpu time spent up to now is 12.9 secs Computing kpt #: 78 total cpu time spent up to now is 13.1 secs Computing kpt #: 79 total cpu time spent up to now is 13.2 secs Computing kpt #: 80 total cpu time spent up to now is 13.3 secs Computing kpt #: 81 total cpu time spent up to now is 13.4 secs Computing kpt #: 82 total cpu time spent up to now is 13.6 secs Computing kpt #: 83 total cpu time spent up to now is 13.7 secs Computing kpt #: 84 total cpu time spent up to now is 13.8 secs Computing kpt #: 85 total cpu time spent up to now is 13.9 secs Computing kpt #: 86 total cpu time spent up to now is 14.0 secs Computing kpt #: 87 total cpu time spent up to now is 14.2 secs Computing kpt #: 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16.1 secs Computing kpt #: 104 total cpu time spent up to now is 16.3 secs Computing kpt #: 105 total cpu time spent up to now is 16.4 secs Computing kpt #: 106 total cpu time spent up to now is 16.5 secs Computing kpt #: 107 total cpu time spent up to now is 16.6 secs Computing kpt #: 108 total cpu time spent up to now is 16.8 secs Computing kpt #: 109 total cpu time spent up to now is 16.9 secs Computing kpt #: 110 total cpu time spent up to now is 17.0 secs Computing kpt #: 111 total cpu time spent up to now is 17.1 secs Computing kpt #: 112 total cpu time spent up to now is 17.2 secs Computing kpt #: 113 total cpu time spent up to now is 17.4 secs Computing kpt #: 114 total cpu time spent up to now is 17.5 secs Computing kpt #: 115 total cpu time spent up to now is 17.6 secs Computing kpt #: 116 total cpu time spent up to now is 17.7 secs Computing kpt #: 117 total cpu time spent up to now is 17.8 secs Computing kpt #: 118 total cpu time spent up to now is 18.0 secs Computing kpt 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spent up to now is 19.9 secs Computing kpt #: 135 total cpu time spent up to now is 20.0 secs Computing kpt #: 136 total cpu time spent up to now is 20.2 secs Computing kpt #: 137 total cpu time spent up to now is 20.3 secs Computing kpt #: 138 total cpu time spent up to now is 20.4 secs Computing kpt #: 139 total cpu time spent up to now is 20.5 secs Computing kpt #: 140 total cpu time spent up to now is 20.7 secs Computing kpt #: 141 total cpu time spent up to now is 20.8 secs Computing kpt #: 142 total cpu time spent up to now is 20.9 secs Computing kpt #: 143 total cpu time spent up to now is 21.1 secs Computing kpt #: 144 total cpu time spent up to now is 21.2 secs Computing kpt #: 145 total cpu time spent up to now is 21.3 secs Computing kpt #: 146 total cpu time spent up to now is 21.5 secs Computing kpt #: 147 total cpu time spent up to now is 21.6 secs Computing kpt #: 148 total cpu time spent up to now is 21.7 secs Computing kpt #: 149 total cpu time spent up to now is 21.9 secs Computing kpt #: 150 total cpu time spent up to now is 22.0 secs Computing kpt #: 151 total cpu time spent up to now is 22.1 secs Computing kpt #: 152 total cpu time spent up to now is 22.3 secs Computing kpt #: 153 total cpu time spent up to now is 22.4 secs Computing kpt #: 154 total cpu time spent up to now is 22.6 secs Computing kpt #: 155 total cpu time spent up to now is 22.7 secs Computing kpt #: 156 total cpu time spent up to now is 22.8 secs Computing kpt #: 157 total cpu time spent up to now is 23.0 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 23.3 secs Computing kpt #: 160 total cpu time spent up to now is 23.4 secs Computing kpt #: 161 total cpu time spent up to now is 23.6 secs Computing kpt #: 162 total cpu time spent up to now is 23.7 secs Computing kpt #: 163 total cpu time spent up to now is 23.9 secs Computing kpt #: 164 total cpu time spent up to now is 24.0 secs Computing kpt #: 165 total cpu time spent up to now is 24.1 secs Computing kpt #: 166 total cpu time spent up to now is 24.3 secs Computing kpt #: 167 total cpu time spent up to now is 24.4 secs Computing kpt #: 168 total cpu time spent up to now is 24.5 secs Computing kpt #: 169 total cpu time spent up to now is 24.7 secs Computing kpt #: 170 total cpu time spent up to now is 24.8 secs Computing kpt #: 171 total cpu time spent up to now is 25.0 secs Computing kpt #: 172 total cpu time spent up to now is 25.1 secs Computing kpt #: 173 total cpu time spent up to now is 25.3 secs Computing kpt #: 174 total cpu time spent up to now is 25.4 secs Computing kpt #: 175 total cpu time spent up to now is 25.5 secs Computing kpt #: 176 total cpu time spent up to now is 25.7 secs Computing kpt #: 177 total cpu time spent up to now is 25.8 secs Computing kpt #: 178 total cpu time spent up to now is 26.0 secs Computing kpt #: 179 total cpu time spent up to now is 26.1 secs Computing kpt #: 180 total cpu time spent up to now is 26.2 secs Computing kpt #: 181 total cpu time spent up to now is 26.4 secs Computing kpt #: 182 total cpu time spent up to now is 26.5 secs Computing kpt #: 183 total cpu time spent up to now is 26.6 secs Computing kpt #: 184 total cpu time spent up to now is 26.8 secs Computing kpt #: 185 total cpu time spent up to now is 26.9 secs Computing kpt #: 186 total cpu time spent up to now is 27.0 secs Computing kpt #: 187 total cpu time spent up to now is 27.2 secs Computing kpt #: 188 total cpu time spent up to now is 27.3 secs Computing kpt #: 189 total cpu time spent up to now is 27.4 secs Computing kpt #: 190 total cpu time spent up to now is 27.5 secs Computing kpt #: 191 total cpu time spent up to now is 27.7 secs Computing kpt #: 192 total cpu time spent up to now is 27.8 secs Computing kpt #: 193 total cpu time spent up to now is 27.9 secs Computing kpt #: 194 total cpu time spent up to now is 28.0 secs Computing kpt #: 195 total cpu time spent up to now is 28.2 secs Computing kpt #: 196 total cpu time spent up to now is 28.3 secs Computing kpt #: 197 total cpu time spent up to now is 28.4 secs Computing kpt #: 198 total cpu time spent up to now is 28.5 secs Computing kpt #: 199 total cpu time spent up to now is 28.7 secs Computing kpt #: 200 total cpu time spent up to now is 28.8 secs Computing kpt #: 201 total cpu time spent up to now is 28.9 secs Computing kpt #: 202 total cpu time spent up to now is 29.1 secs Computing kpt #: 203 total cpu time spent up to now is 29.2 secs Computing kpt #: 204 total cpu time spent up to now is 29.3 secs Computing kpt #: 205 total cpu time spent up to now is 29.4 secs Computing kpt #: 206 total cpu time spent up to now is 29.6 secs Computing kpt #: 207 total cpu time spent up to now is 29.7 secs Computing kpt #: 208 total cpu time spent up to now is 29.8 secs Computing kpt #: 209 total cpu time spent up to now is 30.0 secs Computing kpt #: 210 total cpu time spent up to now is 30.1 secs Computing kpt #: 211 total cpu time spent up to now is 30.2 secs Computing kpt #: 212 total cpu time spent up to now is 30.4 secs Computing kpt #: 213 total cpu time spent up to now is 30.5 secs Computing kpt #: 214 total cpu time spent up to now is 30.6 secs Computing kpt #: 215 total cpu time spent up to now is 30.7 secs Computing kpt #: 216 total cpu time spent up to now is 30.9 secs Computing kpt #: 217 total cpu time spent up to now is 31.0 secs Computing kpt #: 218 total cpu time spent up to now is 31.1 secs Computing kpt #: 219 total cpu time spent up to now is 31.3 secs Computing kpt #: 220 total cpu time spent up to now is 31.4 secs Computing kpt #: 221 total cpu time spent up to now is 31.5 secs Computing kpt #: 222 total cpu time spent up to now is 31.7 secs Computing kpt #: 223 total cpu time spent up to now is 31.8 secs Computing kpt #: 224 total cpu time spent up to now is 31.9 secs Computing kpt #: 225 total cpu time spent up to now is 32.1 secs Computing kpt #: 226 total cpu time spent up to now is 32.2 secs Computing kpt #: 227 total cpu time spent up to now is 32.3 secs Computing kpt #: 228 total cpu time spent up to now is 32.5 secs Computing kpt #: 229 total cpu time spent up to now is 32.6 secs Computing kpt #: 230 total cpu time spent up to now is 32.7 secs Computing kpt #: 231 total cpu time spent up to now is 32.8 secs Computing kpt #: 232 total cpu time spent up to now is 33.0 secs Computing kpt #: 233 total cpu time spent up to now is 33.1 secs Computing kpt #: 234 total cpu time spent up to now is 33.2 secs Computing kpt #: 235 total cpu time spent up to now is 33.4 secs Computing kpt #: 236 total cpu time spent up to now is 33.5 secs Computing kpt #: 237 total cpu time spent up to now is 33.6 secs Computing kpt #: 238 total cpu time spent up to now is 33.7 secs Computing kpt #: 239 total cpu time spent up to now is 33.9 secs Computing kpt #: 240 total cpu time spent up to now is 34.0 secs Computing kpt #: 241 total cpu time spent up to now is 34.1 secs Computing kpt #: 242 total cpu time spent up to now is 34.2 secs Computing kpt #: 243 total cpu time spent up to now is 34.4 secs Computing kpt #: 244 total cpu time spent up to now is 34.5 secs Computing kpt #: 245 total cpu time spent up to now is 34.6 secs Computing kpt #: 246 total cpu time spent up to now is 34.7 secs Computing kpt #: 247 total cpu time spent up to now is 34.9 secs Computing kpt #: 248 total cpu time spent up to now is 35.0 secs Computing kpt #: 249 total cpu time spent up to now is 35.1 secs Computing kpt #: 250 total cpu time spent up to now is 35.2 secs Computing kpt #: 251 total cpu time spent up to now is 35.4 secs Computing kpt #: 252 total cpu time spent up to now is 35.5 secs Computing kpt #: 253 total cpu time spent up to now is 35.6 secs Computing kpt #: 254 total cpu time spent up to now is 35.8 secs Computing kpt #: 255 total cpu time spent up to now is 35.9 secs Computing kpt #: 256 total cpu time spent up to now is 36.0 secs Computing kpt #: 257 total cpu time spent up to now is 36.1 secs Computing kpt #: 258 total cpu time spent up to now is 36.3 secs Computing kpt #: 259 total cpu time spent up to now is 36.4 secs Computing kpt #: 260 total cpu time spent up to now is 36.5 secs Computing kpt #: 261 total cpu time spent up to now is 36.7 secs Computing kpt #: 262 total cpu time spent up to now is 36.8 secs Computing kpt #: 263 total cpu time spent up to now is 36.9 secs Computing kpt #: 264 total cpu time spent up to now is 37.2 secs Computing kpt #: 265 total cpu time spent up to now is 37.3 secs Computing kpt #: 266 total cpu time spent up to now is 37.4 secs Computing kpt #: 267 total cpu time spent up to now is 37.5 secs Computing kpt #: 268 total cpu time spent up to now is 37.6 secs Computing kpt #: 269 total cpu time spent up to now is 37.8 secs Computing kpt #: 270 total cpu time spent up to now is 37.9 secs Computing kpt #: 271 total cpu time spent up to now is 38.0 secs Computing kpt #: 272 total cpu time spent up to now is 38.1 secs Computing kpt #: 273 total cpu time spent up to now is 38.2 secs Computing kpt #: 274 total cpu time spent up to now is 38.3 secs Computing kpt #: 275 total cpu time spent up to now is 38.5 secs Computing kpt #: 276 total cpu time spent up to now is 38.6 secs Computing kpt #: 277 total cpu time spent up to now is 38.7 secs Computing kpt #: 278 total cpu time spent up to now is 38.8 secs Computing kpt #: 279 total cpu time spent up to now is 38.9 secs Computing kpt #: 280 total cpu time spent up to now is 39.1 secs Computing kpt #: 281 total cpu time spent up to now is 39.2 secs Computing kpt #: 282 total cpu time spent up to now is 39.3 secs Computing kpt #: 283 total cpu time spent up to now is 39.4 secs Computing kpt #: 284 total cpu time spent up to now is 39.6 secs Computing kpt #: 285 total cpu time spent up to now is 39.7 secs Computing kpt #: 286 total cpu time spent up to now is 39.8 secs Computing kpt #: 287 total cpu time spent up to now is 40.0 secs Computing kpt #: 288 total cpu time spent up to now is 40.1 secs Computing kpt #: 289 total cpu time spent up to now is 40.2 secs Computing kpt #: 290 total cpu time spent up to now is 40.3 secs Computing kpt #: 291 total cpu time spent up to now is 40.5 secs Computing kpt #: 292 total cpu time spent up to now is 40.6 secs Computing kpt #: 293 total cpu time spent up to now is 40.7 secs Computing kpt #: 294 total cpu time spent up to now is 40.9 secs Computing kpt #: 295 total cpu time spent up to now is 41.0 secs Computing kpt #: 296 total cpu time spent up to now is 41.1 secs Computing kpt #: 297 total cpu time spent up to now is 41.3 secs Computing kpt #: 298 total cpu time spent up to now is 41.4 secs Computing kpt #: 299 total cpu time spent up to now is 41.5 secs Computing kpt #: 300 total cpu time spent up to now is 41.7 secs Computing kpt #: 301 total cpu time spent up to now is 41.8 secs Computing kpt #: 302 total cpu time spent up to now is 41.9 secs Computing kpt #: 303 total cpu time spent up to now is 42.0 secs Computing kpt #: 304 total cpu time spent up to now is 42.2 secs Computing kpt #: 305 total cpu time spent up to now is 42.3 secs Computing kpt #: 306 total cpu time spent up to now is 42.4 secs Computing kpt #: 307 total cpu time spent up to now is 42.6 secs Computing kpt #: 308 total cpu time spent up to now is 42.7 secs Computing kpt #: 309 total cpu time spent up to now is 42.8 secs Computing kpt #: 310 total cpu time spent up to now is 43.0 secs Computing kpt #: 311 total cpu time spent up to now is 43.1 secs Computing kpt #: 312 total cpu time spent up to now is 43.2 secs Computing kpt #: 313 total cpu time spent up to now is 43.3 secs Computing kpt #: 314 total cpu time spent up to now is 43.5 secs Computing kpt #: 315 total cpu time spent up to now is 43.6 secs Computing kpt #: 316 total cpu time spent up to now is 43.7 secs Computing kpt #: 317 total cpu time spent up to now is 43.9 secs Computing kpt #: 318 total cpu time spent up to now is 44.0 secs Computing kpt #: 319 total cpu time spent up to now is 44.1 secs Computing kpt #: 320 total cpu time spent up to now is 44.3 secs Computing kpt #: 321 total cpu time spent up to now is 44.4 secs Computing kpt #: 322 total cpu time spent up to now is 44.5 secs Computing kpt #: 323 total cpu time spent up to now is 44.7 secs Computing kpt #: 324 total cpu time spent up to now is 44.8 secs Computing kpt #: 325 total cpu time spent up to now is 44.9 secs Computing kpt #: 326 total cpu time spent up to now is 45.0 secs Computing kpt #: 327 total cpu time spent up to now is 45.2 secs Computing kpt #: 328 total cpu time spent up to now is 45.3 secs Computing kpt #: 329 total cpu time spent up to now is 45.4 secs Computing kpt #: 330 total cpu time spent up to now is 45.5 secs Computing kpt #: 331 total cpu time spent up to now is 45.7 secs Computing kpt #: 332 total cpu time spent up to now is 45.8 secs Computing kpt #: 333 total cpu time spent up to now is 45.9 secs Computing kpt #: 334 total cpu time spent up to now is 46.0 secs Computing kpt #: 335 total cpu time spent up to now is 46.2 secs Computing kpt #: 336 total cpu time spent up to now is 46.3 secs Computing kpt #: 337 total cpu time spent up to now is 46.4 secs Computing kpt #: 338 total cpu time spent up to now is 46.5 secs Computing kpt #: 339 total cpu time spent up to now is 46.7 secs Computing kpt #: 340 total cpu time spent up to now is 46.8 secs Computing kpt #: 341 total cpu time spent up to now is 46.9 secs Computing kpt #: 342 total cpu time spent up to now is 47.0 secs Computing kpt #: 343 total cpu time spent up to now is 47.2 secs Computing kpt #: 344 total cpu time spent up to now is 47.3 secs Computing kpt #: 345 total cpu time spent up to now is 47.4 secs Computing kpt #: 346 total cpu time spent up to now is 47.5 secs Computing kpt #: 347 total cpu time spent up to now is 47.7 secs Computing kpt #: 348 total cpu time spent up to now is 47.8 secs Computing kpt #: 349 total cpu time spent up to now is 47.9 secs Computing kpt #: 350 total cpu time spent up to now is 48.1 secs Computing kpt #: 351 total cpu time spent up to now is 48.2 secs Computing kpt #: 352 total cpu time spent up to now is 48.3 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 48.9 secs Computing kpt #: 357 total cpu time spent up to now is 49.0 secs Computing kpt #: 358 total cpu time spent up to now is 49.2 secs Computing kpt #: 359 total cpu time spent up to now is 49.3 secs Computing kpt #: 360 total cpu time spent up to now is 49.4 secs Computing kpt #: 361 total cpu time spent up to now is 49.6 secs Computing kpt #: 362 total cpu time spent up to now is 49.7 secs Computing kpt #: 363 total cpu time spent up to now is 49.9 secs Computing kpt #: 364 total cpu time spent up to now is 50.0 secs Computing kpt #: 365 total cpu time spent up to now is 50.1 secs Computing kpt #: 366 total cpu time spent up to now is 50.3 secs Computing kpt #: 367 total cpu time spent up to now is 50.5 secs ethr = 4.17E-08, avg # of iterations = 15.1 total cpu time spent up to now is 50.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1893 PWs) bands (ev): -26.2854 -26.2854 -15.8554 -15.8554 -15.4268 -15.4268 -8.9699 -8.9699 -7.8254 -7.8254 -7.8254 -7.8254 1.7344 1.7344 1.7803 1.7803 1.7803 1.7803 3.4273 3.4273 3.5142 3.5142 3.5142 3.5142 10.7710 10.7710 13.8886 13.8886 13.8886 13.8886 16.5535 16.5535 k = 0.0091-0.0052 0.0074 ( 1897 PWs) bands (ev): -26.2853 -26.2853 -15.8556 -15.8556 -15.4270 -15.4270 -8.9699 -8.9699 -7.8256 -7.8256 -7.8253 -7.8253 1.7351 1.7351 1.7807 1.7807 1.7813 1.7813 3.4266 3.4266 3.5128 3.5128 3.5143 3.5143 10.7739 10.7739 13.8877 13.8877 13.8895 13.8895 16.5523 16.5523 k = 0.0182-0.0105 0.0148 ( 1889 PWs) bands (ev): -26.2851 -26.2851 -15.8561 -15.8561 -15.4275 -15.4275 -8.9699 -8.9699 -7.8263 -7.8263 -7.8249 -7.8249 1.7374 1.7374 1.7822 1.7822 1.7844 1.7844 3.4245 3.4245 3.5088 3.5088 3.5146 3.5146 10.7828 10.7828 13.8852 13.8852 13.8924 13.8924 16.5484 16.5484 k = 0.0273-0.0157 0.0223 ( 1885 PWs) bands (ev): -26.2847 -26.2847 -15.8570 -15.8570 -15.4285 -15.4285 -8.9700 -8.9700 -7.8274 -7.8274 -7.8243 -7.8243 1.7411 1.7411 1.7845 1.7845 1.7897 1.7897 3.4205 3.4205 3.5028 3.5028 3.5151 3.5151 10.7976 10.7976 13.8810 13.8810 13.8972 13.8972 16.5412 16.5412 k = 0.0364-0.0210 0.0297 ( 1877 PWs) bands (ev): -26.2841 -26.2841 -15.8582 -15.8582 -15.4298 -15.4298 -8.9701 -8.9701 -7.8289 -7.8289 -7.8234 -7.8234 1.7461 1.7461 1.7878 1.7878 1.7973 1.7973 3.4137 3.4137 3.4955 3.4955 3.5158 3.5158 10.8182 10.8182 13.8750 13.8750 13.9040 13.9040 16.5303 16.5303 k = 0.0455-0.0262 0.0371 ( 1877 PWs) bands (ev): -26.2834 -26.2834 -15.8597 -15.8597 -15.4315 -15.4315 -8.9702 -8.9702 -7.8310 -7.8310 -7.8224 -7.8224 1.7522 1.7522 1.7921 1.7921 1.8072 1.8072 3.4030 3.4030 3.4884 3.4884 3.5166 3.5166 10.8445 10.8445 13.8674 13.8674 13.9126 13.9126 16.5154 16.5154 k = 0.0545-0.0315 0.0445 ( 1881 PWs) bands (ev): -26.2825 -26.2825 -15.8617 -15.8617 -15.4335 -15.4335 -8.9704 -8.9704 -7.8334 -7.8334 -7.8210 -7.8210 1.7592 1.7592 1.7972 1.7972 1.8197 1.8197 3.3873 3.3873 3.4823 3.4823 3.5176 3.5176 10.8765 10.8765 13.8580 13.8580 13.9231 13.9231 16.4967 16.4967 k = 0.0636-0.0367 0.0520 ( 1881 PWs) bands (ev): -26.2814 -26.2814 -15.8639 -15.8639 -15.4359 -15.4359 -8.9707 -8.9707 -7.8363 -7.8363 -7.8195 -7.8195 1.7672 1.7672 1.8033 1.8033 1.8347 1.8347 3.3664 3.3664 3.4780 3.4780 3.5187 3.5187 10.9140 10.9140 13.8468 13.8468 13.9355 13.9355 16.4743 16.4743 k = 0.0727-0.0420 0.0594 ( 1881 PWs) bands (ev): -26.2802 -26.2802 -15.8665 -15.8665 -15.4387 -15.4387 -8.9710 -8.9710 -7.8395 -7.8395 -7.8176 -7.8176 1.7760 1.7760 1.8103 1.8103 1.8523 1.8523 3.3404 3.3404 3.4753 3.4753 3.5199 3.5199 10.9567 10.9567 13.8340 13.8340 13.9498 13.9498 16.4483 16.4483 k = 0.0818-0.0472 0.0668 ( 1880 PWs) bands (ev): -26.2789 -26.2789 -15.8693 -15.8693 -15.4418 -15.4418 -8.9713 -8.9713 -7.8432 -7.8432 -7.8156 -7.8156 1.7857 1.7857 1.8182 1.8182 1.8724 1.8724 3.3098 3.3098 3.4738 3.4738 3.5212 3.5212 11.0047 11.0047 13.8194 13.8194 13.9659 13.9659 16.4189 16.4189 k = 0.0909-0.0525 0.0742 ( 1880 PWs) bands (ev): -26.2774 -26.2774 -15.8725 -15.8725 -15.4452 -15.4452 -8.9717 -8.9717 -7.8473 -7.8473 -7.8132 -7.8132 1.7962 1.7962 1.8271 1.8271 1.8950 1.8950 3.2752 3.2752 3.4731 3.4731 3.5226 3.5226 11.0576 11.0576 13.8031 13.8031 13.9839 13.9839 16.3861 16.3861 k = 0.1000-0.0577 0.0816 ( 1884 PWs) bands (ev): -26.2758 -26.2758 -15.8760 -15.8760 -15.4490 -15.4490 -8.9722 -8.9722 -7.8517 -7.8517 -7.8106 -7.8106 1.8076 1.8076 1.8368 1.8368 1.9200 1.9200 3.2371 3.2371 3.4731 3.4731 3.5240 3.5240 11.1152 11.1152 13.7851 13.7851 14.0036 14.0036 16.3500 16.3500 k = 0.1091-0.0630 0.0891 ( 1884 PWs) bands (ev): -26.2740 -26.2740 -15.8797 -15.8797 -15.4530 -15.4530 -8.9728 -8.9728 -7.8565 -7.8565 -7.8078 -7.8078 1.8198 1.8198 1.8474 1.8474 1.9473 1.9473 3.1958 3.1958 3.4734 3.4734 3.5254 3.5254 11.1773 11.1773 13.7656 13.7656 14.0251 14.0251 16.3109 16.3109 k = 0.1182-0.0682 0.0965 ( 1884 PWs) bands (ev): -26.2722 -26.2722 -15.8837 -15.8837 -15.4574 -15.4574 -8.9734 -8.9734 -7.8617 -7.8617 -7.8047 -7.8047 1.8328 1.8328 1.8589 1.8589 1.9769 1.9769 3.1516 3.1516 3.4739 3.4739 3.5268 3.5268 11.2435 11.2435 13.7448 13.7448 14.0484 14.0484 16.2687 16.2687 k = 0.1273-0.0735 0.1039 ( 1884 PWs) bands (ev): -26.2702 -26.2702 -15.8880 -15.8880 -15.4620 -15.4620 -8.9741 -8.9741 -7.8671 -7.8671 -7.8013 -7.8013 1.8467 1.8467 1.8712 1.8712 2.0086 2.0086 3.1050 3.1050 3.4746 3.4746 3.5281 3.5281 11.3137 11.3137 13.7227 13.7227 14.0733 14.0733 16.2235 16.2235 k = 0.1364-0.0787 0.1113 ( 1876 PWs) bands (ev): -26.2680 -26.2680 -15.8925 -15.8925 -15.4668 -15.4668 -8.9749 -8.9749 -7.8728 -7.8728 -7.7976 -7.7976 1.8616 1.8616 1.8844 1.8844 2.0424 2.0424 3.0561 3.0561 3.4754 3.4754 3.5294 3.5294 11.3874 11.3874 13.6997 13.6997 14.1000 14.1000 16.1756 16.1756 k = 0.1455-0.0840 0.1188 ( 1876 PWs) bands (ev): -26.2658 -26.2658 -15.8972 -15.8972 -15.4719 -15.4719 -8.9758 -8.9758 -7.8789 -7.8789 -7.7937 -7.7937 1.8772 1.8772 1.8984 1.8984 2.0782 2.0782 3.0052 3.0052 3.4761 3.4761 3.5304 3.5304 11.4643 11.4643 13.6760 13.6760 14.1283 14.1283 16.1250 16.1250 k = 0.1545-0.0892 0.1262 ( 1876 PWs) bands (ev): -26.2635 -26.2635 -15.9022 -15.9022 -15.4772 -15.4772 -8.9769 -8.9769 -7.8852 -7.8852 -7.7896 -7.7896 1.8936 1.8936 1.9133 1.9133 2.1159 2.1159 2.9527 2.9527 3.4767 3.4767 3.5314 3.5314 11.5438 11.5438 13.6522 13.6522 14.1581 14.1581 16.0718 16.0718 k = 0.1636-0.0945 0.1336 ( 1876 PWs) bands (ev): -26.2610 -26.2610 -15.9073 -15.9073 -15.4827 -15.4827 -8.9780 -8.9780 -7.8917 -7.8917 -7.7851 -7.7851 1.9109 1.9109 1.9289 1.9289 2.1554 2.1554 2.8986 2.8986 3.4772 3.4772 3.5320 3.5320 11.6253 11.6253 13.6287 13.6287 14.1895 14.1895 16.0162 16.0162 k = 0.1727-0.0997 0.1410 ( 1884 PWs) bands (ev): -26.2585 -26.2585 -15.9126 -15.9126 -15.4885 -15.4885 -8.9792 -8.9792 -7.8985 -7.8985 -7.7805 -7.7805 1.9290 1.9290 1.9453 1.9453 2.1965 2.1965 2.8434 2.8434 3.4775 3.4775 3.5325 3.5325 11.7083 11.7083 13.6062 13.6062 14.2224 14.2224 15.9583 15.9583 k = 0.1818-0.1050 0.1485 ( 1884 PWs) bands (ev): -26.2559 -26.2559 -15.9181 -15.9181 -15.4943 -15.4943 -8.9806 -8.9806 -7.9054 -7.9054 -7.7755 -7.7755 1.9478 1.9478 1.9624 1.9624 2.2393 2.2393 2.7871 2.7871 3.4775 3.4775 3.5326 3.5326 11.7919 11.7919 13.5855 13.5855 14.2566 14.2566 15.8983 15.8983 k = 0.1909-0.1102 0.1559 ( 1884 PWs) bands (ev): -26.2533 -26.2533 -15.9236 -15.9236 -15.5004 -15.5004 -8.9820 -8.9820 -7.9126 -7.9126 -7.7704 -7.7704 1.9675 1.9675 1.9803 1.9803 2.2836 2.2836 2.7301 2.7301 3.4773 3.4773 3.5324 3.5324 11.8750 11.8750 13.5678 13.5678 14.2923 14.2923 15.8364 15.8364 k = 0.2000-0.1155 0.1633 ( 1880 PWs) bands (ev): -26.2506 -26.2506 -15.9294 -15.9294 -15.5065 -15.5065 -8.9836 -8.9836 -7.9198 -7.9198 -7.7650 -7.7650 1.9878 1.9878 1.9989 1.9989 2.3292 2.3292 2.6725 2.6725 3.4767 3.4767 3.5319 3.5319 11.9564 11.9564 13.5543 13.5543 14.3292 14.3292 15.7727 15.7727 k = 0.2091-0.1207 0.1707 ( 1880 PWs) bands (ev): -26.2478 -26.2478 -15.9352 -15.9352 -15.5127 -15.5127 -8.9852 -8.9852 -7.9272 -7.9272 -7.7593 -7.7593 2.0089 2.0089 2.0182 2.0182 2.3761 2.3761 2.6146 2.6146 3.4758 3.4758 3.5309 3.5309 12.0346 12.0346 13.5466 13.5466 14.3674 14.3674 15.7074 15.7074 k = 0.2182-0.1260 0.1781 ( 1884 PWs) bands (ev): -26.2450 -26.2450 -15.9410 -15.9410 -15.5191 -15.5191 -8.9870 -8.9870 -7.9347 -7.9347 -7.7535 -7.7535 2.0306 2.0306 2.0381 2.0381 2.4241 2.4241 2.5565 2.5565 3.4744 3.4744 3.5295 3.5295 12.1079 12.1079 13.5465 13.5465 14.4067 14.4067 15.6407 15.6407 k = 0.2273-0.1312 0.1856 ( 1884 PWs) bands (ev): -26.2421 -26.2421 -15.9470 -15.9470 -15.5255 -15.5255 -8.9889 -8.9889 -7.9422 -7.9422 -7.7476 -7.7476 2.0529 2.0529 2.0586 2.0586 2.4731 2.4731 2.4985 2.4985 3.4726 3.4726 3.5276 3.5276 12.1743 12.1743 13.5561 13.5561 14.4470 14.4470 15.5728 15.5728 k = 0.2364-0.1365 0.1930 ( 1876 PWs) bands (ev): -26.2392 -26.2392 -15.9530 -15.9530 -15.5319 -15.5319 -8.9909 -8.9909 -7.9498 -7.9498 -7.7414 -7.7414 2.0759 2.0759 2.0798 2.0798 2.4407 2.4407 2.5229 2.5229 3.4704 3.4704 3.5252 3.5252 12.2319 12.2319 13.5776 13.5776 14.4883 14.4883 15.5039 15.5039 k = 0.2455-0.1417 0.2004 ( 1876 PWs) bands (ev): -26.2363 -26.2363 -15.9590 -15.9590 -15.5383 -15.5383 -8.9929 -8.9929 -7.9574 -7.9574 -7.7351 -7.7351 2.0995 2.0995 2.1014 2.1014 2.3833 2.3833 2.5735 2.5735 3.4676 3.4676 3.5223 3.5223 12.2788 12.2788 13.6126 13.6126 14.5304 14.5304 15.4341 15.4341 k = 0.2545-0.1470 0.2078 ( 1876 PWs) bands (ev): -26.2334 -26.2334 -15.9650 -15.9650 -15.5448 -15.5448 -8.9951 -8.9951 -7.9650 -7.9650 -7.7286 -7.7286 2.1235 2.1235 2.1236 2.1236 2.3265 2.3265 2.6245 2.6245 3.4643 3.4643 3.5188 3.5188 12.3141 12.3141 13.6624 13.6624 14.5733 14.5733 15.3638 15.3638 k = 0.2636-0.1522 0.2153 ( 1876 PWs) bands (ev): -26.2305 -26.2305 -15.9710 -15.9710 -15.5512 -15.5512 -8.9973 -8.9973 -7.9726 -7.9726 -7.7221 -7.7221 2.1462 2.1462 2.1480 2.1480 2.2704 2.2704 2.6760 2.6760 3.4604 3.4604 3.5148 3.5148 12.3375 12.3375 13.7275 13.7275 14.6168 14.6168 15.2932 15.2932 k = 0.2727-0.1575 0.2227 ( 1880 PWs) bands (ev): -26.2276 -26.2276 -15.9770 -15.9770 -15.5576 -15.5576 -8.9996 -8.9996 -7.9802 -7.9802 -7.7155 -7.7155 2.1691 2.1691 2.1730 2.1730 2.2153 2.2153 2.7278 2.7278 3.4560 3.4560 3.5101 3.5101 12.3495 12.3495 13.8073 13.8073 14.6607 14.6607 15.2225 15.2225 k = 0.2818-0.1627 0.2301 ( 1888 PWs) bands (ev): -26.2248 -26.2248 -15.9829 -15.9829 -15.5639 -15.5639 -9.0020 -9.0020 -7.9876 -7.9876 -7.7088 -7.7088 2.1605 2.1605 2.1931 2.1931 2.1983 2.1983 2.7795 2.7795 3.4510 3.4510 3.5048 3.5048 12.3514 12.3514 13.9007 13.9007 14.7049 14.7049 15.1520 15.1520 k = 0.2909-0.1680 0.2375 ( 1884 PWs) bands (ev): -26.2219 -26.2219 -15.9887 -15.9887 -15.5701 -15.5701 -9.0043 -9.0043 -7.9950 -7.9950 -7.7020 -7.7020 2.1078 2.1078 2.2166 2.2166 2.2239 2.2239 2.8313 2.8313 3.4454 3.4454 3.4989 3.4989 12.3447 12.3447 14.0063 14.0063 14.7490 14.7490 15.0822 15.0822 k = 0.3000-0.1732 0.2449 ( 1884 PWs) bands (ev): -26.2191 -26.2191 -15.9944 -15.9944 -15.5762 -15.5762 -9.0068 -9.0068 -8.0022 -8.0022 -7.6953 -7.6953 2.0562 2.0562 2.2406 2.2406 2.2498 2.2498 2.8827 2.8827 3.4392 3.4392 3.4924 3.4924 12.3312 12.3312 14.1224 14.1224 14.7923 14.7923 15.0137 15.0137 k = 0.3091-0.1785 0.2524 ( 1876 PWs) bands (ev): -26.2164 -26.2164 -16.0000 -16.0000 -15.5822 -15.5822 -9.0092 -9.0092 -8.0093 -8.0093 -7.6886 -7.6886 2.0060 2.0060 2.2648 2.2648 2.2760 2.2760 2.9337 2.9337 3.4324 3.4324 3.4852 3.4852 12.3122 12.3122 14.2477 14.2477 14.8323 14.8323 14.9494 14.9494 k = 0.3182-0.1837 0.2598 ( 1876 PWs) bands (ev): -26.2137 -26.2137 -16.0055 -16.0055 -15.5881 -15.5881 -9.0116 -9.0116 -8.0162 -8.0162 -7.6820 -7.6820 1.9573 1.9573 2.2892 2.2892 2.3022 2.3022 2.9841 2.9841 3.4251 3.4251 3.4775 3.4775 12.2893 12.2893 14.3808 14.3808 14.8454 14.8454 14.9129 14.9129 k = 0.3273-0.1890 0.2672 ( 1876 PWs) bands (ev): -26.2111 -26.2111 -16.0109 -16.0109 -15.5938 -15.5938 -9.0140 -9.0140 -8.0229 -8.0229 -7.6754 -7.6754 1.9103 1.9103 2.3136 2.3136 2.3285 2.3285 3.0337 3.0337 3.4172 3.4172 3.4691 3.4691 12.2635 12.2635 14.5206 14.5206 14.7960 14.7960 14.9397 14.9397 k = 0.3364-0.1942 0.2746 ( 1876 PWs) bands (ev): -26.2085 -26.2085 -16.0160 -16.0160 -15.5993 -15.5993 -9.0164 -9.0164 -8.0294 -8.0294 -7.6689 -7.6689 1.8650 1.8650 2.3381 2.3381 2.3548 2.3548 3.0822 3.0822 3.4087 3.4087 3.4602 3.4602 12.2358 12.2358 14.6662 14.6662 14.7339 14.7339 14.9803 14.9803 k = 0.3455-0.1994 0.2821 ( 1876 PWs) bands (ev): -26.2061 -26.2061 -16.0210 -16.0210 -15.6047 -15.6047 -9.0188 -9.0188 -8.0357 -8.0357 -7.6626 -7.6626 1.8217 1.8217 2.3624 2.3624 2.3810 2.3810 3.1296 3.1296 3.3997 3.3997 3.4507 3.4507 12.2069 12.2069 14.6714 14.6714 14.8167 14.8167 15.0222 15.0222 k = 0.3545-0.2047 0.2895 ( 1880 PWs) bands (ev): -26.2037 -26.2037 -16.0258 -16.0258 -15.6098 -15.6098 -9.0211 -9.0211 -8.0417 -8.0417 -7.6565 -7.6565 1.7802 1.7802 2.3866 2.3866 2.4070 2.4070 3.1755 3.1755 3.3903 3.3903 3.4408 3.4408 12.1775 12.1775 14.6103 14.6103 14.9716 14.9716 15.0639 15.0639 k = 0.3636-0.2099 0.2969 ( 1880 PWs) bands (ev): -26.2014 -26.2014 -16.0304 -16.0304 -15.6146 -15.6146 -9.0234 -9.0234 -8.0474 -8.0474 -7.6506 -7.6506 1.7409 1.7409 2.4105 2.4105 2.4328 2.4328 3.2199 3.2199 3.3805 3.3805 3.4304 3.4304 12.1482 12.1482 14.5512 14.5512 15.1048 15.1048 15.1301 15.1301 k = 0.3727-0.2152 0.3043 ( 1872 PWs) bands (ev): -26.1993 -26.1993 -16.0348 -16.0348 -15.6193 -15.6193 -9.0255 -9.0255 -8.0529 -8.0529 -7.6448 -7.6448 1.7037 1.7037 2.4341 2.4341 2.4581 2.4581 3.2625 3.2625 3.3703 3.3703 3.4196 3.4196 12.1192 12.1192 14.4944 14.4944 15.1446 15.1446 15.2916 15.2916 k = 0.3818-0.2204 0.3118 ( 1868 PWs) bands (ev): -26.1972 -26.1972 -16.0389 -16.0389 -15.6237 -15.6237 -9.0276 -9.0276 -8.0581 -8.0581 -7.6394 -7.6394 1.6688 1.6688 2.4572 2.4572 2.4829 2.4829 3.3031 3.3031 3.3599 3.3599 3.4087 3.4087 12.0911 12.0911 14.4402 14.4402 15.1829 15.1829 15.4556 15.4556 k = 0.3909-0.2257 0.3192 ( 1868 PWs) bands (ev): -26.1953 -26.1953 -16.0428 -16.0428 -15.6278 -15.6278 -9.0296 -9.0296 -8.0629 -8.0629 -7.6342 -7.6342 1.6362 1.6362 2.4796 2.4796 2.5071 2.5071 3.3411 3.3411 3.3492 3.3492 3.3978 3.3978 12.0641 12.0641 14.3890 14.3890 15.2195 15.2195 15.6215 15.6215 k = 0.4000-0.2309 0.3266 ( 1868 PWs) bands (ev): -26.1935 -26.1935 -16.0464 -16.0464 -15.6316 -15.6316 -9.0315 -9.0315 -8.0674 -8.0674 -7.6294 -7.6294 1.6059 1.6059 2.5013 2.5013 2.5304 2.5304 3.3385 3.3385 3.3735 3.3735 3.3903 3.3903 12.0385 12.0385 14.3409 14.3409 15.2542 15.2542 15.7884 15.7884 k = 0.4091-0.2362 0.3340 ( 1884 PWs) bands (ev): -26.1919 -26.1919 -16.0497 -16.0497 -15.6352 -15.6352 -9.0333 -9.0333 -8.0716 -8.0716 -7.6248 -7.6248 1.5780 1.5780 2.5221 2.5221 2.5528 2.5528 3.3279 3.3279 3.3725 3.3725 3.4137 3.4137 12.0145 12.0145 14.2962 14.2962 15.2868 15.2868 15.9556 15.9556 k = 0.4182-0.2414 0.3414 ( 1884 PWs) bands (ev): -26.1904 -26.1904 -16.0527 -16.0527 -15.6384 -15.6384 -9.0349 -9.0349 -8.0754 -8.0754 -7.6207 -7.6207 1.5527 1.5527 2.5418 2.5418 2.5741 2.5741 3.3174 3.3174 3.3620 3.3620 3.4440 3.4440 11.9923 11.9923 14.2550 14.2550 15.3170 15.3170 16.1222 16.1222 k = 0.4273-0.2467 0.3489 ( 1884 PWs) bands (ev): -26.1890 -26.1890 -16.0555 -16.0555 -15.6413 -15.6413 -9.0363 -9.0363 -8.0789 -8.0789 -7.6169 -7.6169 1.5298 1.5298 2.5603 2.5603 2.5940 2.5940 3.3073 3.3073 3.3513 3.3513 3.4721 3.4721 11.9721 11.9721 14.2176 14.2176 15.3448 15.3448 16.2867 16.2867 k = 0.4364-0.2519 0.3563 ( 1888 PWs) bands (ev): -26.1878 -26.1878 -16.0579 -16.0579 -15.6439 -15.6439 -9.0377 -9.0377 -8.0819 -8.0819 -7.6135 -7.6135 1.5096 1.5096 2.5773 2.5773 2.6124 2.6124 3.2977 3.2977 3.3411 3.3411 3.4973 3.4973 11.9539 11.9539 14.1842 14.1842 15.3697 15.3697 16.4474 16.4474 k = 0.4455-0.2572 0.3637 ( 1876 PWs) bands (ev): -26.1867 -26.1867 -16.0601 -16.0601 -15.6462 -15.6462 -9.0388 -9.0388 -8.0846 -8.0846 -7.6105 -7.6105 1.4919 1.4919 2.5926 2.5926 2.6290 2.6290 3.2888 3.2888 3.3316 3.3316 3.5195 3.5195 11.9380 11.9380 14.1549 14.1549 15.3918 15.3918 16.6002 16.6002 k = 0.4545-0.2624 0.3711 ( 1872 PWs) bands (ev): -26.1858 -26.1858 -16.0618 -16.0618 -15.6481 -15.6481 -9.0398 -9.0398 -8.0868 -8.0868 -7.6080 -7.6080 1.4770 1.4770 2.6061 2.6061 2.6436 2.6436 3.2809 3.2809 3.3230 3.3230 3.5385 3.5385 11.9243 11.9243 14.1299 14.1299 15.4107 15.4107 16.6537 16.6537 k = 0.4636-0.2677 0.3786 ( 1864 PWs) bands (ev): -26.1850 -26.1850 -16.0633 -16.0633 -15.6497 -15.6497 -9.0406 -9.0406 -8.0887 -8.0887 -7.6058 -7.6058 1.4647 1.4647 2.6175 2.6175 2.6560 2.6560 3.2741 3.2741 3.3156 3.3156 3.5542 3.5542 11.9130 11.9130 14.1092 14.1092 15.4265 15.4265 16.6560 16.6560 k = 0.4727-0.2729 0.3860 ( 1868 PWs) bands (ev): -26.1845 -26.1845 -16.0645 -16.0645 -15.6510 -15.6510 -9.0413 -9.0413 -8.0902 -8.0902 -7.6042 -7.6042 1.4551 1.4551 2.6266 2.6266 2.6659 2.6659 3.2685 3.2685 3.3095 3.3095 3.5664 3.5664 11.9042 11.9042 14.0930 14.0930 15.4388 15.4388 16.6573 16.6573 k = 0.4818-0.2782 0.3934 ( 1868 PWs) bands (ev): -26.1840 -26.1840 -16.0653 -16.0653 -15.6519 -15.6519 -9.0417 -9.0417 -8.0912 -8.0912 -7.6030 -7.6030 1.4483 1.4483 2.6332 2.6332 2.6731 2.6731 3.2644 3.2644 3.3050 3.3050 3.5753 3.5753 11.8978 11.8978 14.0814 14.0814 15.4477 15.4477 16.6582 16.6582 k = 0.4909-0.2834 0.4008 ( 1868 PWs) bands (ev): -26.1838 -26.1838 -16.0658 -16.0658 -15.6524 -15.6524 -9.0420 -9.0420 -8.0918 -8.0918 -7.6023 -7.6023 1.4442 1.4442 2.6373 2.6373 2.6776 2.6776 3.2618 3.2618 3.3023 3.3023 3.5806 3.5806 11.8940 11.8940 14.0744 14.0744 15.4531 15.4531 16.6587 16.6587 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0660 -16.0660 -15.6526 -15.6526 -9.0421 -9.0421 -8.0920 -8.0920 -7.6021 -7.6021 1.4428 1.4428 2.6386 2.6386 2.6790 2.6790 3.2610 3.2610 3.3013 3.3013 3.5824 3.5824 11.8928 11.8928 14.0720 14.0720 15.4549 15.4549 16.6589 16.6589 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0660 -16.0660 -15.6526 -15.6526 -9.0421 -9.0421 -8.0920 -8.0920 -7.6021 -7.6021 1.4428 1.4428 2.6386 2.6386 2.6790 2.6790 3.2610 3.2610 3.3013 3.3013 3.5824 3.5824 11.8928 11.8928 14.0720 14.0720 15.4549 15.4549 16.6589 16.6589 k = 0.5000-0.2784 0.4155 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0657 -16.0657 -15.6529 -15.6529 -9.0420 -9.0420 -8.0918 -8.0918 -7.6024 -7.6024 1.4436 1.4436 2.6384 2.6384 2.6788 2.6788 3.2608 3.2608 3.3011 3.3011 3.5822 3.5822 11.8936 11.8936 14.0728 14.0728 15.4524 15.4524 16.6469 16.6469 k = 0.5000-0.2681 0.4228 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0648 -16.0648 -15.6540 -15.6540 -9.0415 -9.0415 -8.0910 -8.0910 -7.6035 -7.6035 1.4461 1.4461 2.6377 2.6377 2.6782 2.6782 3.2602 3.2602 3.3006 3.3006 3.5816 3.5816 11.8962 11.8962 14.0752 14.0752 15.4450 15.4450 16.6026 16.6026 k = 0.5000-0.2577 0.4301 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0633 -16.0633 -15.6557 -15.6557 -9.0408 -9.0408 -8.0897 -8.0897 -7.6052 -7.6052 1.4503 1.4503 2.6359 2.6359 2.6777 2.6777 3.2590 3.2590 3.2998 3.2998 3.5807 3.5807 11.9004 11.9004 14.0791 14.0791 15.4327 15.4327 16.5339 16.5339 k = 0.5000-0.2474 0.4374 ( 1874 PWs) bands (ev): -26.1837 -26.1837 -16.0612 -16.0612 -15.6582 -15.6582 -9.0399 -9.0399 -8.0880 -8.0880 -7.6077 -7.6077 1.4560 1.4560 2.6328 2.6328 2.6777 2.6777 3.2571 3.2571 3.2990 3.2990 3.5795 3.5795 11.9064 11.9064 14.0846 14.0846 15.4157 15.4157 16.4541 16.4541 k = 0.5000-0.2371 0.4447 ( 1876 PWs) bands (ev): -26.1837 -26.1837 -16.0586 -16.0586 -15.6613 -15.6613 -9.0387 -9.0387 -8.0857 -8.0857 -7.6108 -7.6108 1.4634 1.4634 2.6278 2.6278 2.6789 2.6789 3.2543 3.2543 3.2983 3.2983 3.5779 3.5779 11.9139 11.9139 14.0917 14.0917 15.3943 15.3943 16.3694 16.3694 k = 0.5000-0.2268 0.4520 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0553 -16.0553 -15.6651 -15.6651 -9.0372 -9.0372 -8.0829 -8.0829 -7.6146 -7.6146 1.4724 1.4724 2.6206 2.6206 2.6813 2.6813 3.2504 3.2504 3.2980 3.2980 3.5760 3.5760 11.9230 11.9230 14.1005 14.1005 15.3687 15.3687 16.2829 16.2829 k = 0.5000-0.2165 0.4593 ( 1870 PWs) bands (ev): -26.1837 -26.1837 -16.0515 -16.0515 -15.6696 -15.6696 -9.0355 -9.0355 -8.0796 -8.0796 -7.6190 -7.6190 1.4829 1.4829 2.6112 2.6112 2.6851 2.6851 3.2452 3.2452 3.2983 3.2983 3.5737 3.5737 11.9336 11.9336 14.1108 14.1108 15.3392 15.3392 16.1959 16.1959 k = 0.5000-0.2062 0.4666 ( 1866 PWs) bands (ev): -26.1837 -26.1837 -16.0471 -16.0471 -15.6747 -15.6747 -9.0337 -9.0337 -8.0758 -8.0758 -7.6241 -7.6241 1.4949 1.4949 2.5999 2.5999 2.6902 2.6902 3.2388 3.2388 3.2991 3.2991 3.5711 3.5711 11.9456 11.9456 14.1227 14.1227 15.3062 15.3062 16.1092 16.1092 k = 0.5000-0.1959 0.4739 ( 1864 PWs) bands (ev): -26.1837 -26.1837 -16.0421 -16.0421 -15.6804 -15.6804 -9.0316 -9.0316 -8.0716 -8.0716 -7.6297 -7.6297 1.5084 1.5084 2.5867 2.5867 2.6963 2.6963 3.2311 3.2311 3.3005 3.3005 3.5683 3.5683 11.9590 11.9590 14.1362 14.1362 15.2702 15.2702 16.0235 16.0235 k = 0.5000-0.1856 0.4811 ( 1866 PWs) bands (ev): -26.1837 -26.1837 -16.0366 -16.0366 -15.6868 -15.6868 -9.0294 -9.0294 -8.0669 -8.0669 -7.6359 -7.6359 1.5232 1.5232 2.5719 2.5719 2.7035 2.7035 3.2223 3.2223 3.3024 3.3024 3.5651 3.5651 11.9735 11.9735 14.1514 14.1514 15.2314 15.2314 15.9389 15.9389 k = 0.5000-0.1753 0.4884 ( 1866 PWs) bands (ev): -26.1837 -26.1837 -16.0306 -16.0306 -15.6937 -15.6937 -9.0271 -9.0271 -8.0617 -8.0617 -7.6427 -7.6427 1.5394 1.5394 2.5555 2.5555 2.7116 2.7116 3.2123 3.2123 3.3047 3.3047 3.5617 3.5617 11.9892 11.9892 14.1683 14.1683 15.1906 15.1906 15.8558 15.8558 k = 0.5000-0.1650 0.4957 ( 1862 PWs) bands (ev): -26.1837 -26.1837 -16.0241 -16.0241 -15.7011 -15.7011 -9.0247 -9.0247 -8.0562 -8.0562 -7.6499 -7.6499 1.5568 1.5568 2.5378 2.5378 2.7205 2.7205 3.2014 3.2014 3.3074 3.3074 3.5581 3.5581 12.0058 12.0058 14.1868 14.1868 15.1480 15.1480 15.7743 15.7743 k = 0.5000-0.1546 0.5030 ( 1864 PWs) bands (ev): -26.1837 -26.1837 -16.0171 -16.0171 -15.7091 -15.7091 -9.0223 -9.0223 -8.0502 -8.0502 -7.6575 -7.6575 1.5753 1.5753 2.5188 2.5188 2.7303 2.7303 3.1896 3.1896 3.3104 3.3104 3.5543 3.5543 12.0231 12.0231 14.2070 14.2070 15.1042 15.1042 15.6945 15.6945 k = 0.5000-0.1443 0.5103 ( 1872 PWs) bands (ev): -26.1837 -26.1837 -16.0096 -16.0096 -15.7176 -15.7176 -9.0199 -9.0199 -8.0439 -8.0439 -7.6656 -7.6656 1.5948 1.5948 2.4987 2.4987 2.7408 2.7408 3.1769 3.1769 3.3137 3.3137 3.5503 3.5503 12.0411 12.0411 14.2290 14.2290 15.0598 15.0598 15.6165 15.6165 k = 0.5000-0.1340 0.5176 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0016 -16.0016 -15.7265 -15.7265 -9.0174 -9.0174 -8.0372 -8.0372 -7.6739 -7.6739 1.6153 1.6153 2.4777 2.4777 2.7521 2.7521 3.1635 3.1635 3.3172 3.3172 3.5462 3.5462 12.0595 12.0595 14.2526 14.2526 15.0153 15.0153 15.5403 15.5403 k = 0.5000-0.1237 0.5249 ( 1872 PWs) bands (ev): -26.1837 -26.1837 -15.9933 -15.9933 -15.7358 -15.7358 -9.0150 -9.0150 -8.0302 -8.0302 -7.6825 -7.6825 1.6366 1.6366 2.4559 2.4559 2.7641 2.7641 3.1494 3.1494 3.3208 3.3208 3.5421 3.5421 12.0780 12.0780 14.2780 14.2780 14.9712 14.9712 15.4661 15.4661 k = 0.5000-0.1134 0.5322 ( 1872 PWs) bands (ev): -26.1837 -26.1837 -15.9845 -15.9845 -15.7455 -15.7455 -9.0127 -9.0127 -8.0231 -8.0231 -7.6912 -7.6912 1.6584 1.6584 2.4334 2.4334 2.7766 2.7766 3.1347 3.1347 3.3246 3.3246 3.5378 3.5378 12.0966 12.0966 14.3051 14.3051 14.9281 14.9281 15.3938 15.3938 k = 0.5000-0.1031 0.5395 ( 1868 PWs) bands (ev): -26.1836 -26.1836 -15.9753 -15.9753 -15.7556 -15.7556 -9.0104 -9.0104 -8.0158 -8.0158 -7.7001 -7.7001 1.6807 1.6807 2.4106 2.4106 2.7899 2.7899 3.1194 3.1194 3.3284 3.3284 3.5336 3.5336 12.1148 12.1148 14.3341 14.3341 14.8865 14.8865 15.3235 15.3235 k = 0.5000-0.0928 0.5468 ( 1864 PWs) bands (ev): -26.1836 -26.1836 -15.9657 -15.9657 -15.7660 -15.7660 -9.0083 -9.0083 -8.0084 -8.0084 -7.7089 -7.7089 1.7032 1.7032 2.3875 2.3875 2.8036 2.8036 3.1038 3.1038 3.3321 3.3321 3.5295 3.5295 12.1325 12.1325 14.3648 14.3648 14.8468 14.8468 15.2552 15.2552 k = 0.5000-0.0825 0.5541 ( 1868 PWs) bands (ev): -26.1836 -26.1836 -15.9559 -15.9559 -15.7766 -15.7766 -9.0063 -9.0063 -8.0011 -8.0011 -7.7175 -7.7175 1.7256 1.7256 2.3646 2.3646 2.8179 2.8179 3.0877 3.0877 3.3358 3.3358 3.5255 3.5255 12.1493 12.1493 14.3972 14.3972 14.8098 14.8098 15.1890 15.1890 k = 0.5000-0.0722 0.5613 ( 1872 PWs) bands (ev): -26.1836 -26.1836 -15.9457 -15.9457 -15.7875 -15.7875 -9.0045 -9.0045 -7.9940 -7.9940 -7.7259 -7.7259 1.7476 1.7476 2.3421 2.3421 2.8326 2.8326 3.0713 3.0713 3.3393 3.3393 3.5217 3.5217 12.1650 12.1650 14.4315 14.4315 14.7757 14.7757 15.1247 15.1247 k = 0.5000-0.0619 0.5686 ( 1880 PWs) bands (ev): -26.1836 -26.1836 -15.9352 -15.9352 -15.7986 -15.7986 -9.0029 -9.0029 -7.9872 -7.9872 -7.7338 -7.7338 1.7687 1.7687 2.3205 2.3205 2.8477 2.8477 3.0547 3.0547 3.3425 3.3425 3.5181 3.5181 12.1794 12.1794 14.4675 14.4675 14.7453 14.7453 15.0626 15.0626 k = 0.5000-0.0515 0.5759 ( 1884 PWs) bands (ev): -26.1837 -26.1837 -15.9245 -15.9245 -15.8099 -15.8099 -9.0016 -9.0016 -7.9809 -7.9809 -7.7410 -7.7410 1.7885 1.7885 2.3002 2.3002 2.8632 2.8632 3.0379 3.0379 3.3454 3.3454 3.5150 3.5150 12.1921 12.1921 14.5051 14.5051 14.7189 14.7189 15.0026 15.0026 k = 0.5000-0.0412 0.5832 ( 1884 PWs) bands (ev): -26.1836 -26.1836 -15.9136 -15.9136 -15.8213 -15.8213 -9.0004 -9.0004 -7.9753 -7.9753 -7.7474 -7.7474 1.8064 1.8064 2.2820 2.2820 2.8788 2.8788 3.0211 3.0211 3.3480 3.3480 3.5122 3.5122 12.2028 12.2028 14.5441 14.5441 14.6974 14.6974 14.9446 14.9446 k = 0.5000-0.0309 0.5905 ( 1880 PWs) bands (ev): -26.1836 -26.1836 -15.9026 -15.9026 -15.8327 -15.8327 -8.9995 -8.9995 -7.9706 -7.9706 -7.7527 -7.7527 1.8215 1.8215 2.2666 2.2666 2.8945 2.8945 3.0046 3.0046 3.3501 3.3501 3.5100 3.5100 12.2115 12.2115 14.5835 14.5835 14.6818 14.6818 14.8889 14.8889 k = 0.5000-0.0206 0.5978 ( 1880 PWs) bands (ev): -26.1836 -26.1836 -15.8914 -15.8914 -15.8440 -15.8440 -8.9988 -8.9988 -7.9671 -7.9671 -7.7566 -7.7566 1.8332 1.8332 2.2548 2.2548 2.9098 2.9098 2.9887 2.9887 3.3517 3.3517 3.5083 3.5083 12.2178 12.2178 14.6192 14.6192 14.6766 14.6766 14.8355 14.8355 k = 0.5000-0.0103 0.6051 ( 1884 PWs) bands (ev): -26.1836 -26.1836 -15.8806 -15.8806 -15.8551 -15.8551 -8.9984 -8.9984 -7.9649 -7.9649 -7.7591 -7.7591 1.8405 1.8405 2.2473 2.2473 2.9232 2.9232 2.9749 2.9749 3.3526 3.3526 3.5073 3.5073 12.2216 12.2216 14.6370 14.6370 14.6956 14.6956 14.7848 14.7848 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -26.1837 -26.1837 -15.8733 -15.8733 -15.8624 -15.8624 -8.9983 -8.9983 -7.9641 -7.9641 -7.7600 -7.7600 1.8431 1.8431 2.2447 2.2447 2.9297 2.9297 2.9682 2.9682 3.3529 3.3529 3.5069 3.5069 12.2229 12.2229 14.6393 14.6393 14.7303 14.7303 14.7431 14.7431 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -26.1837 -26.1837 -15.8733 -15.8733 -15.8624 -15.8624 -8.9983 -8.9983 -7.9641 -7.9641 -7.7600 -7.7600 1.8431 1.8431 2.2447 2.2447 2.9297 2.9297 2.9682 2.9682 3.3529 3.3529 3.5069 3.5069 12.2229 12.2229 14.6393 14.6393 14.7303 14.7303 14.7431 14.7431 k = 0.4938 0.0108 0.6124 ( 1888 PWs) bands (ev): -26.1837 -26.1837 -15.8775 -15.8775 -15.8581 -15.8581 -8.9983 -8.9983 -7.9644 -7.9644 -7.7596 -7.7596 1.8422 1.8422 2.2459 2.2459 2.9261 2.9261 2.9713 2.9713 3.3531 3.3531 3.5067 3.5067 12.2227 12.2227 14.6379 14.6379 14.7061 14.7061 14.7707 14.7707 k = 0.4875 0.0217 0.6124 ( 1876 PWs) bands (ev): -26.1837 -26.1837 -15.8844 -15.8844 -15.8509 -15.8509 -8.9984 -8.9984 -7.9654 -7.9654 -7.7586 -7.7586 1.8398 1.8398 2.2497 2.2497 2.9178 2.9178 2.9779 2.9779 3.3535 3.3535 3.5060 3.5060 12.2221 12.2221 14.6312 14.6312 14.6829 14.6829 14.8067 14.8067 k = 0.4813 0.0325 0.6124 ( 1876 PWs) bands (ev): -26.1838 -26.1838 -15.8915 -15.8915 -15.8434 -15.8434 -8.9985 -8.9985 -7.9669 -7.9669 -7.7569 -7.7569 1.8356 1.8356 2.2560 2.2560 2.9074 2.9074 2.9855 2.9855 3.3540 3.3540 3.5050 3.5050 12.2211 12.2211 14.6137 14.6137 14.6720 14.6720 14.8450 14.8450 k = 0.4750 0.0433 0.6124 ( 1876 PWs) bands (ev): -26.1839 -26.1839 -15.8984 -15.8984 -15.8359 -15.8359 -8.9987 -8.9987 -7.9689 -7.9689 -7.7548 -7.7548 1.8301 1.8301 2.2647 2.2647 2.8959 2.8959 2.9928 2.9928 3.3547 3.3547 3.5039 3.5039 12.2197 12.2197 14.5884 14.5884 14.6710 14.6710 14.8851 14.8851 k = 0.4688 0.0541 0.6124 ( 1876 PWs) bands (ev): -26.1840 -26.1840 -15.9050 -15.9050 -15.8285 -15.8285 -8.9990 -8.9990 -7.9713 -7.9713 -7.7521 -7.7521 1.8233 1.8233 2.2754 2.2754 2.8839 2.8839 2.9997 2.9997 3.3553 3.3553 3.5026 3.5026 12.2178 12.2178 14.5608 14.5608 14.6745 14.6745 14.9266 14.9266 k = 0.4625 0.0650 0.6124 ( 1878 PWs) bands (ev): -26.1842 -26.1842 -15.9113 -15.9113 -15.8214 -15.8214 -8.9992 -8.9992 -7.9741 -7.9741 -7.7491 -7.7491 1.8155 1.8155 2.2881 2.2881 2.8714 2.8714 3.0059 3.0059 3.3558 3.3558 3.5015 3.5015 12.2155 12.2155 14.5333 14.5333 14.6802 14.6802 14.9692 14.9692 k = 0.4562 0.0758 0.6124 ( 1876 PWs) bands (ev): -26.1843 -26.1843 -15.9173 -15.9173 -15.8146 -15.8146 -8.9995 -8.9995 -7.9771 -7.9771 -7.7457 -7.7457 1.8071 1.8071 2.3023 2.3023 2.8586 2.8586 3.0115 3.0115 3.3562 3.3562 3.5005 3.5005 12.2129 12.2129 14.5067 14.5067 14.6872 14.6872 15.0124 15.0124 k = 0.4500 0.0866 0.6124 ( 1876 PWs) bands (ev): -26.1845 -26.1845 -15.9228 -15.9228 -15.8081 -15.8081 -8.9998 -8.9998 -7.9803 -7.9803 -7.7423 -7.7423 1.7982 1.7982 2.3178 2.3178 2.8455 2.8455 3.0163 3.0163 3.3563 3.3563 3.4997 3.4997 12.2100 12.2100 14.4815 14.4815 14.6953 14.6953 15.0560 15.0560 k = 0.4437 0.0974 0.6124 ( 1875 PWs) bands (ev): -26.1847 -26.1847 -15.9280 -15.9280 -15.8020 -15.8020 -9.0001 -9.0001 -7.9836 -7.9836 -7.7387 -7.7387 1.7892 1.7892 2.3342 2.3342 2.8321 2.8321 3.0206 3.0206 3.3562 3.3562 3.4991 3.4991 12.2069 12.2069 14.4578 14.4578 14.7039 14.7039 15.0995 15.0995 k = 0.4375 0.1083 0.6124 ( 1869 PWs) bands (ev): -26.1848 -26.1848 -15.9328 -15.9328 -15.7962 -15.7962 -9.0004 -9.0004 -7.9868 -7.9868 -7.7351 -7.7351 1.7803 1.7803 2.3514 2.3514 2.8186 2.8186 3.0243 3.0243 3.3558 3.3558 3.4989 3.4989 12.2037 12.2037 14.4359 14.4359 14.7130 14.7130 15.1424 15.1424 k = 0.4313 0.1191 0.6124 ( 1877 PWs) bands (ev): -26.1850 -26.1850 -15.9372 -15.9372 -15.7909 -15.7909 -9.0008 -9.0008 -7.9900 -7.9900 -7.7317 -7.7317 1.7717 1.7717 2.3688 2.3688 2.8050 2.8050 3.0275 3.0275 3.3552 3.3552 3.4989 3.4989 12.2003 12.2003 14.4158 14.4158 14.7221 14.7221 15.1842 15.1842 k = 0.4250 0.1299 0.6124 ( 1877 PWs) bands (ev): -26.1852 -26.1852 -15.9411 -15.9411 -15.7861 -15.7861 -9.0011 -9.0011 -7.9930 -7.9930 -7.7284 -7.7284 1.7636 1.7636 2.3863 2.3863 2.7914 2.7914 3.0302 3.0302 3.3543 3.3543 3.4991 3.4991 12.1971 12.1971 14.3977 14.3977 14.7311 14.7311 15.2243 15.2243 k = 0.4188 0.1407 0.6124 ( 1871 PWs) bands (ev): -26.1853 -26.1853 -15.9446 -15.9446 -15.7818 -15.7818 -9.0013 -9.0013 -7.9958 -7.9958 -7.7253 -7.7253 1.7561 1.7561 2.4036 2.4036 2.7780 2.7780 3.0326 3.0326 3.3533 3.3533 3.4995 3.4995 12.1939 12.1939 14.3816 14.3816 14.7397 14.7397 15.2622 15.2622 k = 0.4125 0.1516 0.6124 ( 1873 PWs) bands (ev): -26.1854 -26.1854 -15.9477 -15.9477 -15.7780 -15.7780 -9.0016 -9.0016 -7.9983 -7.9983 -7.7225 -7.7225 1.7494 1.7494 2.4202 2.4202 2.7650 2.7650 3.0345 3.0345 3.3523 3.3523 3.5001 3.5001 12.1910 12.1910 14.3676 14.3676 14.7478 14.7478 15.2971 15.2971 k = 0.4062 0.1624 0.6124 ( 1873 PWs) bands (ev): -26.1856 -26.1856 -15.9503 -15.9503 -15.7747 -15.7747 -9.0018 -9.0018 -8.0005 -8.0005 -7.7201 -7.7201 1.7435 1.7435 2.4357 2.4357 2.7527 2.7527 3.0361 3.0361 3.3512 3.3512 3.5006 3.5006 12.1884 12.1884 14.3556 14.3556 14.7550 14.7550 15.3283 15.3283 k = 0.4000 0.1732 0.6124 ( 1873 PWs) bands (ev): -26.1857 -26.1857 -15.9524 -15.9524 -15.7720 -15.7720 -9.0020 -9.0020 -8.0024 -8.0024 -7.7180 -7.7180 1.7386 1.7386 2.4497 2.4497 2.7415 2.7415 3.0373 3.0373 3.3502 3.3502 3.5012 3.5012 12.1861 12.1861 14.3458 14.3458 14.7612 14.7612 15.3552 15.3552 k = 0.3937 0.1840 0.6124 ( 1868 PWs) bands (ev): -26.1857 -26.1857 -15.9541 -15.9541 -15.7699 -15.7699 -9.0022 -9.0022 -8.0039 -8.0039 -7.7164 -7.7164 1.7347 1.7347 2.4617 2.4617 2.7318 2.7318 3.0383 3.0383 3.3494 3.3494 3.5018 3.5018 12.1843 12.1843 14.3381 14.3381 14.7662 14.7662 15.3769 15.3769 k = 0.3875 0.1949 0.6124 ( 1872 PWs) bands (ev): -26.1858 -26.1858 -15.9553 -15.9553 -15.7684 -15.7684 -9.0023 -9.0023 -8.0050 -8.0050 -7.7152 -7.7152 1.7319 1.7319 2.4708 2.4708 2.7243 2.7243 3.0390 3.0390 3.3487 3.3487 3.5021 3.5021 12.1829 12.1829 14.3327 14.3327 14.7699 14.7699 15.3930 15.3930 k = 0.3812 0.2057 0.6124 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9560 -15.9560 -15.7675 -15.7675 -9.0024 -9.0024 -8.0056 -8.0056 -7.7145 -7.7145 1.7302 1.7302 2.4767 2.4767 2.7194 2.7194 3.0393 3.0393 3.3483 3.3483 3.5024 3.5024 12.1821 12.1821 14.3294 14.3294 14.7721 14.7721 15.4029 15.4029 k = 0.3750 0.2165 0.6124 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9562 -15.9562 -15.7672 -15.7672 -9.0024 -9.0024 -8.0058 -8.0058 -7.7143 -7.7143 1.7296 1.7296 2.4787 2.4787 2.7178 2.7178 3.0395 3.0395 3.3482 3.3482 3.5025 3.5025 12.1818 12.1818 14.3283 14.3283 14.7729 14.7729 15.4062 15.4062 k = 0.3750 0.2165 0.6124 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9562 -15.9562 -15.7672 -15.7672 -9.0024 -9.0024 -8.0058 -8.0058 -7.7143 -7.7143 1.7296 1.7296 2.4787 2.4787 2.7178 2.7178 3.0395 3.0395 3.3482 3.3482 3.5025 3.5025 12.1818 12.1818 14.3283 14.3283 14.7729 14.7729 15.4062 15.4062 k = 0.3686 0.2128 0.6020 ( 1878 PWs) bands (ev): -26.1863 -26.1863 -15.9456 -15.9456 -15.7767 -15.7767 -8.9997 -8.9997 -7.9984 -7.9984 -7.7233 -7.7233 1.7552 1.7552 2.4650 2.4650 2.7243 2.7243 3.0163 3.0163 3.3488 3.3488 3.4956 3.4956 12.2077 12.2077 14.3479 14.3479 14.7239 14.7239 15.3662 15.3662 k = 0.3623 0.2092 0.5916 ( 1882 PWs) bands (ev): -26.1868 -26.1868 -15.9347 -15.9347 -15.7862 -15.7862 -8.9972 -8.9972 -7.9909 -7.9909 -7.7322 -7.7322 1.7812 1.7812 2.4515 2.4515 2.7313 2.7313 2.9923 2.9923 3.3477 3.3477 3.4893 3.4893 12.2342 12.2342 14.3669 14.3669 14.6755 14.6755 15.3300 15.3300 k = 0.3559 0.2055 0.5812 ( 1882 PWs) bands (ev): -26.1874 -26.1874 -15.9235 -15.9235 -15.7957 -15.7957 -8.9947 -8.9947 -7.9834 -7.9834 -7.7410 -7.7410 1.8076 1.8076 2.4382 2.4382 2.7388 2.7388 2.9676 2.9676 3.3443 3.3443 3.4842 3.4842 12.2612 12.2612 14.3848 14.3848 14.6279 14.6279 15.2975 15.2975 k = 0.3496 0.2018 0.5709 ( 1882 PWs) bands (ev): -26.1880 -26.1880 -15.9119 -15.9119 -15.8051 -15.8051 -8.9924 -8.9924 -7.9759 -7.9759 -7.7497 -7.7497 1.8341 1.8341 2.4254 2.4254 2.7467 2.7467 2.9421 2.9421 3.3383 3.3383 3.4805 3.4805 12.2886 12.2886 14.4012 14.4012 14.5816 14.5816 15.2690 15.2690 k = 0.3432 0.1982 0.5605 ( 1878 PWs) bands (ev): -26.1887 -26.1887 -15.9001 -15.9001 -15.8144 -15.8144 -8.9903 -8.9903 -7.9684 -7.9684 -7.7581 -7.7581 1.8608 1.8608 2.4130 2.4130 2.7551 2.7551 2.9160 2.9160 3.3294 3.3294 3.4784 3.4784 12.3165 12.3165 14.4153 14.4153 14.5370 14.5370 15.2442 15.2442 k = 0.3369 0.1945 0.5501 ( 1872 PWs) bands (ev): -26.1895 -26.1895 -15.8880 -15.8880 -15.8236 -15.8236 -8.9883 -8.9883 -7.9611 -7.9611 -7.7663 -7.7663 1.8873 1.8873 2.4012 2.4012 2.7640 2.7640 2.8893 2.8893 3.3178 3.3178 3.4777 3.4777 12.3446 12.3446 14.4248 14.4248 14.4965 14.4965 15.2232 15.2232 k = 0.3305 0.1908 0.5397 ( 1872 PWs) bands (ev): -26.1904 -26.1904 -15.8759 -15.8759 -15.8324 -15.8324 -8.9865 -8.9865 -7.9539 -7.9539 -7.7742 -7.7742 1.9137 1.9137 2.3902 2.3902 2.7734 2.7734 2.8619 2.8619 3.3033 3.3033 3.4784 3.4784 12.3729 12.3729 14.4194 14.4194 14.4699 14.4699 15.2060 15.2060 k = 0.3242 0.1871 0.5293 ( 1870 PWs) bands (ev): -26.1914 -26.1914 -15.8639 -15.8639 -15.8406 -15.8406 -8.9848 -8.9848 -7.9469 -7.9469 -7.7817 -7.7817 1.9396 1.9396 2.3801 2.3801 2.7833 2.7833 2.8341 2.8341 3.2863 3.2863 3.4801 3.4801 12.4012 12.4012 14.3896 14.3896 14.4666 14.4666 15.1926 15.1926 k = 0.3178 0.1835 0.5190 ( 1876 PWs) bands (ev): -26.1924 -26.1924 -15.8551 -15.8551 -15.8451 -15.8451 -8.9833 -8.9833 -7.9402 -7.9402 -7.7887 -7.7887 1.9649 1.9649 2.3711 2.3711 2.7936 2.7936 2.8058 2.8058 3.2671 3.2671 3.4826 3.4826 12.4295 12.4295 14.3516 14.3516 14.4702 14.4702 15.1828 15.1828 k = 0.3114 0.1798 0.5086 ( 1876 PWs) bands (ev): -26.1936 -26.1936 -15.8596 -15.8596 -15.8360 -15.8360 -8.9820 -8.9820 -7.9338 -7.9338 -7.7953 -7.7953 1.9894 1.9894 2.3634 2.3634 2.7769 2.7769 2.8047 2.8047 3.2458 3.2458 3.4856 3.4856 12.4575 12.4575 14.3128 14.3128 14.4732 14.4732 15.1767 15.1767 k = 0.3051 0.1761 0.4982 ( 1868 PWs) bands (ev): -26.1948 -26.1948 -15.8669 -15.8669 -15.8235 -15.8235 -8.9809 -8.9809 -7.9278 -7.9278 -7.8013 -7.8013 2.0126 2.0126 2.3574 2.3574 2.7478 2.7478 2.8161 2.8161 3.2226 3.2226 3.4890 3.4890 12.4851 12.4851 14.2747 14.2747 14.4738 14.4738 15.1741 15.1741 k = 0.2987 0.1725 0.4878 ( 1868 PWs) bands (ev): -26.1961 -26.1961 -15.8743 -15.8743 -15.8105 -15.8105 -8.9799 -8.9799 -7.9222 -7.9222 -7.8067 -7.8067 2.0343 2.0343 2.3533 2.3533 2.7184 2.7184 2.8280 2.8280 3.1977 3.1977 3.4926 3.4926 12.5121 12.5121 14.2377 14.2377 14.4713 14.4713 15.1751 15.1751 k = 0.2924 0.1688 0.4774 ( 1865 PWs) bands (ev): -26.1975 -26.1975 -15.8813 -15.8813 -15.7974 -15.7974 -8.9790 -8.9790 -7.9171 -7.9171 -7.8115 -7.8115 2.0541 2.0541 2.3516 2.3516 2.6887 2.6887 2.8404 2.8404 3.1711 3.1711 3.4962 3.4962 12.5381 12.5381 14.2021 14.2021 14.4656 14.4656 15.1794 15.1794 k = 0.2860 0.1651 0.4671 ( 1865 PWs) bands (ev): -26.1990 -26.1990 -15.8879 -15.8879 -15.7842 -15.7842 -8.9784 -8.9784 -7.9125 -7.9125 -7.8155 -7.8155 2.0713 2.0713 2.3528 2.3528 2.6588 2.6588 2.8534 2.8534 3.1430 3.1430 3.4999 3.4999 12.5630 12.5630 14.1680 14.1680 14.4562 14.4562 15.1870 15.1870 k = 0.2797 0.1615 0.4567 ( 1873 PWs) bands (ev): -26.2006 -26.2006 -15.8942 -15.8942 -15.7709 -15.7709 -8.9778 -8.9778 -7.9085 -7.9085 -7.8188 -7.8188 2.0856 2.0856 2.3572 2.3572 2.6287 2.6287 2.8668 2.8668 3.1134 3.1134 3.5034 3.5034 12.5864 12.5864 14.1353 14.1353 14.4433 14.4433 15.1978 15.1978 k = 0.2733 0.1578 0.4463 ( 1881 PWs) bands (ev): -26.2023 -26.2023 -15.9000 -15.9000 -15.7577 -15.7577 -8.9774 -8.9774 -7.9052 -7.9052 -7.8212 -7.8212 2.0968 2.0968 2.3651 2.3651 2.5985 2.5985 2.8806 2.8806 3.0825 3.0825 3.5069 3.5069 12.6079 12.6079 14.1042 14.1042 14.4268 14.4268 15.2117 15.2117 k = 0.2669 0.1541 0.4359 ( 1881 PWs) bands (ev): -26.2041 -26.2041 -15.9053 -15.9053 -15.7445 -15.7445 -8.9771 -8.9771 -7.9025 -7.9025 -7.8229 -7.8229 2.1045 2.1045 2.3766 2.3766 2.5682 2.5682 2.8949 2.8949 3.0503 3.0503 3.5101 3.5101 12.6270 12.6270 14.0747 14.0747 14.4070 14.4070 15.2285 15.2285 k = 0.2606 0.1505 0.4255 ( 1875 PWs) bands (ev): -26.2059 -26.2059 -15.9101 -15.9101 -15.7313 -15.7313 -8.9769 -8.9769 -7.9004 -7.9004 -7.8239 -7.8239 2.1091 2.1091 2.3916 2.3916 2.5380 2.5380 2.9097 2.9097 3.0169 3.0169 3.5131 3.5131 12.6433 12.6433 14.0468 14.0468 14.3841 14.3841 15.2482 15.2482 k = 0.2542 0.1468 0.4152 ( 1875 PWs) bands (ev): -26.2079 -26.2079 -15.9144 -15.9144 -15.7182 -15.7182 -8.9768 -8.9768 -7.8989 -7.8989 -7.8242 -7.8242 2.1109 2.1109 2.4096 2.4096 2.5079 2.5079 2.9246 2.9246 2.9827 2.9827 3.5159 3.5159 12.6561 12.6561 14.0205 14.0205 14.3584 14.3584 15.2706 15.2706 k = 0.2479 0.1431 0.4048 ( 1883 PWs) bands (ev): -26.2099 -26.2099 -15.9182 -15.9182 -15.7052 -15.7052 -8.9768 -8.9768 -7.8978 -7.8978 -7.8239 -7.8239 2.1102 2.1102 2.4301 2.4301 2.4781 2.4781 2.9359 2.9359 2.9514 2.9514 3.5184 3.5184 12.6649 12.6649 13.9959 13.9959 14.3307 14.3307 15.2955 15.2955 k = 0.2415 0.1394 0.3944 ( 1875 PWs) bands (ev): -26.2120 -26.2120 -15.9216 -15.9216 -15.6922 -15.6922 -8.9768 -8.9768 -7.8970 -7.8970 -7.8232 -7.8232 2.1075 2.1075 2.4436 2.4436 2.4578 2.4578 2.9082 2.9082 2.9586 2.9586 3.5207 3.5207 12.6691 12.6691 13.9729 13.9729 14.3015 14.3015 15.3229 15.3229 k = 0.2352 0.1358 0.3840 ( 1877 PWs) bands (ev): -26.2142 -26.2142 -15.9244 -15.9244 -15.6795 -15.6795 -8.9768 -8.9768 -7.8965 -7.8965 -7.8221 -7.8221 2.1031 2.1031 2.4168 2.4168 2.4797 2.4797 2.8711 2.8711 2.9746 2.9746 3.5227 3.5227 12.6680 12.6680 13.9515 13.9515 14.2715 14.2715 15.3525 15.3525 k = 0.2288 0.1321 0.3737 ( 1877 PWs) bands (ev): -26.2165 -26.2165 -15.9267 -15.9267 -15.6669 -15.6669 -8.9769 -8.9769 -7.8960 -7.8960 -7.8209 -7.8209 2.0974 2.0974 2.3875 2.3875 2.5060 2.5060 2.8329 2.8329 2.9913 2.9913 3.5244 3.5244 12.6610 12.6610 13.9317 13.9317 14.2416 14.2416 15.3842 15.3842 k = 0.2225 0.1284 0.3633 ( 1885 PWs) bands (ev): -26.2188 -26.2188 -15.9285 -15.9285 -15.6545 -15.6545 -8.9770 -8.9770 -7.8956 -7.8956 -7.8195 -7.8195 2.0905 2.0905 2.3582 2.3582 2.5337 2.5337 2.7938 2.7938 3.0085 3.0085 3.5257 3.5257 12.6475 12.6475 13.9135 13.9135 14.2125 14.2125 15.4179 15.4179 k = 0.2161 0.1248 0.3529 ( 1883 PWs) bands (ev): -26.2212 -26.2212 -15.9298 -15.9298 -15.6423 -15.6423 -8.9770 -8.9770 -7.8951 -7.8951 -7.8182 -7.8182 2.0828 2.0828 2.3293 2.3293 2.5626 2.5626 2.7541 2.7541 3.0261 3.0261 3.5269 3.5269 12.6271 12.6271 13.8968 13.8968 14.1849 14.1849 15.4534 15.4534 k = 0.2097 0.1211 0.3425 ( 1883 PWs) bands (ev): -26.2236 -26.2236 -15.9306 -15.9306 -15.6304 -15.6304 -8.9771 -8.9771 -7.8945 -7.8945 -7.8168 -7.8168 2.0742 2.0742 2.3006 2.3006 2.5924 2.5924 2.7139 2.7139 3.0440 3.0440 3.5277 3.5277 12.5995 12.5995 13.8818 13.8818 14.1594 14.1594 15.4906 15.4906 k = 0.2034 0.1174 0.3321 ( 1891 PWs) bands (ev): -26.2261 -26.2261 -15.9310 -15.9310 -15.6187 -15.6187 -8.9772 -8.9772 -7.8938 -7.8938 -7.8156 -7.8156 2.0649 2.0649 2.2724 2.2724 2.6225 2.6225 2.6738 2.6738 3.0621 3.0621 3.5282 3.5282 12.5645 12.5645 13.8682 13.8682 14.1365 14.1365 15.5292 15.5292 k = 0.1970 0.1138 0.3218 ( 1893 PWs) bands (ev): -26.2287 -26.2287 -15.9309 -15.9309 -15.6072 -15.6072 -8.9772 -8.9772 -7.8928 -7.8928 -7.8145 -7.8145 2.0550 2.0550 2.2446 2.2446 2.6289 2.6289 2.6579 2.6579 3.0804 3.0804 3.5285 3.5285 12.5223 12.5223 13.8562 13.8562 14.1162 14.1162 15.5691 15.5691 k = 0.1907 0.1101 0.3114 ( 1889 PWs) bands (ev): -26.2313 -26.2313 -15.9303 -15.9303 -15.5961 -15.5961 -8.9772 -8.9772 -7.8917 -7.8917 -7.8135 -7.8135 2.0446 2.0446 2.2172 2.2172 2.5892 2.5892 2.6885 2.6885 3.0990 3.0990 3.5285 3.5285 12.4733 12.4733 13.8457 13.8457 14.0988 14.0988 15.6102 15.6102 k = 0.1843 0.1064 0.3010 ( 1889 PWs) bands (ev): -26.2339 -26.2339 -15.9294 -15.9294 -15.5852 -15.5852 -8.9771 -8.9771 -7.8903 -7.8903 -7.8127 -7.8127 2.0336 2.0336 2.1905 2.1905 2.5479 2.5479 2.7213 2.7213 3.1177 3.1177 3.5283 3.5283 12.4178 12.4178 13.8365 13.8365 14.0839 14.0839 15.6523 15.6523 k = 0.1780 0.1027 0.2906 ( 1889 PWs) bands (ev): -26.2365 -26.2365 -15.9281 -15.9281 -15.5746 -15.5746 -8.9770 -8.9770 -7.8888 -7.8888 -7.8121 -7.8121 2.0222 2.0222 2.1642 2.1642 2.5064 2.5064 2.7548 2.7548 3.1364 3.1364 3.5279 3.5279 12.3566 12.3566 13.8288 13.8288 14.0714 14.0714 15.6951 15.6951 k = 0.1716 0.0991 0.2802 ( 1895 PWs) bands (ev): -26.2391 -26.2391 -15.9263 -15.9263 -15.5644 -15.5644 -8.9769 -8.9769 -7.8870 -7.8870 -7.8117 -7.8117 2.0103 2.0103 2.1386 2.1386 2.4649 2.4649 2.7888 2.7888 3.1552 3.1552 3.5272 3.5272 12.2903 12.2903 13.8224 13.8224 14.0609 14.0609 15.7387 15.7387 k = 0.1653 0.0954 0.2699 ( 1895 PWs) bands (ev): -26.2418 -26.2418 -15.9243 -15.9243 -15.5544 -15.5544 -8.9767 -8.9767 -7.8850 -7.8850 -7.8114 -7.8114 1.9981 1.9981 2.1137 2.1137 2.4236 2.4236 2.8233 2.8233 3.1740 3.1740 3.5264 3.5264 12.2197 12.2197 13.8173 13.8173 14.0520 14.0520 15.7827 15.7827 k = 0.1589 0.0917 0.2595 ( 1895 PWs) bands (ev): -26.2444 -26.2444 -15.9219 -15.9219 -15.5448 -15.5448 -8.9765 -8.9765 -7.8828 -7.8828 -7.8113 -7.8113 1.9856 1.9856 2.0894 2.0894 2.3826 2.3826 2.8581 2.8581 3.1928 3.1928 3.5254 3.5254 12.1457 12.1457 13.8134 13.8134 14.0442 14.0442 15.8270 15.8270 k = 0.1525 0.0881 0.2491 ( 1895 PWs) bands (ev): -26.2470 -26.2470 -15.9193 -15.9193 -15.5356 -15.5356 -8.9763 -8.9763 -7.8805 -7.8805 -7.8113 -7.8113 1.9728 1.9728 2.0659 2.0659 2.3420 2.3420 2.8932 2.8932 3.2114 3.2114 3.5242 3.5242 12.0689 12.0689 13.8108 13.8108 14.0373 14.0373 15.8715 15.8715 k = 0.1462 0.0844 0.2387 ( 1899 PWs) bands (ev): -26.2496 -26.2496 -15.9164 -15.9164 -15.5267 -15.5267 -8.9760 -8.9760 -7.8779 -7.8779 -7.8115 -7.8115 1.9598 1.9598 2.0431 2.0431 2.3020 2.3020 2.9285 2.9285 3.2298 3.2298 3.5229 3.5229 11.9902 11.9902 13.8093 13.8093 14.0308 14.0308 15.9159 15.9159 k = 0.1398 0.0807 0.2283 ( 1899 PWs) bands (ev): -26.2522 -26.2522 -15.9133 -15.9133 -15.5182 -15.5182 -8.9757 -8.9757 -7.8752 -7.8752 -7.8118 -7.8118 1.9466 1.9466 2.0211 2.0211 2.2626 2.2626 2.9638 2.9638 3.2481 3.2481 3.5215 3.5215 11.9103 11.9103 13.8088 13.8088 14.0244 14.0244 15.9602 15.9602 k = 0.1335 0.0771 0.2180 ( 1891 PWs) bands (ev): -26.2547 -26.2547 -15.9100 -15.9100 -15.5100 -15.5100 -8.9753 -8.9753 -7.8724 -7.8724 -7.8123 -7.8123 1.9332 1.9332 2.0000 2.0000 2.2241 2.2241 2.9991 2.9991 3.2661 3.2661 3.5200 3.5200 11.8297 11.8297 13.8093 13.8093 14.0181 14.0181 16.0041 16.0041 k = 0.1271 0.0734 0.2076 ( 1895 PWs) bands (ev): -26.2572 -26.2572 -15.9066 -15.9066 -15.5023 -15.5023 -8.9750 -8.9750 -7.8695 -7.8695 -7.8128 -7.8128 1.9198 1.9198 1.9798 1.9798 2.1863 2.1863 3.0341 3.0341 3.2838 3.2838 3.5185 3.5185 11.7491 11.7491 13.8108 13.8108 14.0115 14.0115 16.0474 16.0474 k = 0.1208 0.0697 0.1972 ( 1895 PWs) bands (ev): -26.2596 -26.2596 -15.9030 -15.9030 -15.4949 -15.4949 -8.9746 -8.9746 -7.8665 -7.8665 -7.8135 -7.8135 1.9064 1.9064 1.9605 1.9605 2.1497 2.1497 3.0688 3.0688 3.3011 3.3011 3.5169 3.5169 11.6691 11.6691 13.8131 13.8131 14.0047 14.0047 16.0901 16.0901 k = 0.1144 0.0661 0.1868 ( 1891 PWs) bands (ev): -26.2620 -26.2620 -15.8994 -15.8994 -15.4878 -15.4878 -8.9742 -8.9742 -7.8634 -7.8634 -7.8142 -7.8142 1.8930 1.8930 1.9422 1.9422 2.1142 2.1142 3.1030 3.1030 3.3179 3.3179 3.5154 3.5154 11.5902 11.5902 13.8161 13.8161 13.9975 13.9975 16.1319 16.1319 k = 0.1081 0.0624 0.1764 ( 1883 PWs) bands (ev): -26.2643 -26.2643 -15.8957 -15.8957 -15.4812 -15.4812 -8.9738 -8.9738 -7.8602 -7.8602 -7.8150 -7.8150 1.8797 1.8797 1.9248 1.9248 2.0799 2.0799 3.1365 3.1365 3.3344 3.3344 3.5139 3.5139 11.5128 11.5128 13.8199 13.8199 13.9901 13.9901 16.1727 16.1727 k = 0.1017 0.0587 0.1661 ( 1883 PWs) bands (ev): -26.2665 -26.2665 -15.8920 -15.8920 -15.4749 -15.4749 -8.9734 -8.9734 -7.8571 -7.8571 -7.8158 -7.8158 1.8665 1.8665 1.9084 1.9084 2.0470 2.0470 3.1692 3.1692 3.3503 3.3503 3.5124 3.5124 11.4375 11.4375 13.8241 13.8241 13.9822 13.9822 16.2123 16.2123 k = 0.0953 0.0550 0.1557 ( 1883 PWs) bands (ev): -26.2686 -26.2686 -15.8883 -15.8883 -15.4690 -15.4690 -8.9730 -8.9730 -7.8540 -7.8540 -7.8166 -7.8166 1.8536 1.8536 1.8930 1.8930 2.0156 2.0156 3.2009 3.2009 3.3656 3.3656 3.5111 3.5111 11.3646 11.3646 13.8289 13.8289 13.9741 13.9741 16.2505 16.2505 k = 0.0890 0.0514 0.1453 ( 1883 PWs) bands (ev): -26.2707 -26.2707 -15.8847 -15.8847 -15.4636 -15.4636 -8.9726 -8.9726 -7.8509 -7.8509 -7.8175 -7.8175 1.8410 1.8410 1.8786 1.8786 1.9857 1.9857 3.2313 3.2313 3.3804 3.3804 3.5099 3.5099 11.2945 11.2945 13.8340 13.8340 13.9658 13.9658 16.2872 16.2872 k = 0.0826 0.0477 0.1349 ( 1883 PWs) bands (ev): -26.2726 -26.2726 -15.8812 -15.8812 -15.4584 -15.4584 -8.9723 -8.9723 -7.8479 -7.8479 -7.8184 -7.8184 1.8287 1.8287 1.8652 1.8652 1.9576 1.9576 3.2602 3.2602 3.3946 3.3946 3.5089 3.5089 11.2275 11.2275 13.8393 13.8393 13.9575 13.9575 16.3222 16.3222 k = 0.0763 0.0440 0.1246 ( 1875 PWs) bands (ev): -26.2744 -26.2744 -15.8777 -15.8777 -15.4537 -15.4537 -8.9719 -8.9719 -7.8449 -7.8449 -7.8193 -7.8193 1.8169 1.8169 1.8528 1.8528 1.9312 1.9312 3.2874 3.2874 3.4082 3.4082 3.5081 3.5081 11.1641 11.1641 13.8449 13.8449 13.9491 13.9491 16.3553 16.3553 k = 0.0699 0.0404 0.1142 ( 1881 PWs) bands (ev): -26.2761 -26.2761 -15.8745 -15.8745 -15.4494 -15.4494 -8.9716 -8.9716 -7.8421 -7.8421 -7.8201 -7.8201 1.8056 1.8056 1.8414 1.8414 1.9067 1.9067 3.3126 3.3126 3.4212 3.4212 3.5075 3.5075 11.1046 11.1046 13.8504 13.8504 13.9409 13.9409 16.3864 16.3864 k = 0.0636 0.0367 0.1038 ( 1877 PWs) bands (ev): -26.2776 -26.2776 -15.8714 -15.8714 -15.4454 -15.4454 -8.9713 -8.9713 -7.8395 -7.8395 -7.8209 -7.8209 1.7949 1.7949 1.8309 1.8309 1.8843 1.8843 3.3355 3.3355 3.4338 3.4338 3.5073 3.5073 11.0491 11.0491 13.8560 13.8560 13.9330 13.9330 16.4153 16.4153 k = 0.0572 0.0330 0.0934 ( 1877 PWs) bands (ev): -26.2791 -26.2791 -15.8686 -15.8686 -15.4419 -15.4419 -8.9710 -8.9710 -7.8370 -7.8370 -7.8217 -7.8217 1.7849 1.7849 1.8214 1.8214 1.8640 1.8640 3.3559 3.3559 3.4459 3.4459 3.5073 3.5073 10.9981 10.9981 13.8614 13.8614 13.9254 13.9254 16.4419 16.4419 k = 0.0508 0.0294 0.0830 ( 1879 PWs) bands (ev): -26.2804 -26.2804 -15.8659 -15.8659 -15.4387 -15.4387 -8.9708 -8.9708 -7.8347 -7.8347 -7.8224 -7.8224 1.7755 1.7755 1.8129 1.8129 1.8458 1.8458 3.3735 3.3735 3.4576 3.4576 3.5077 3.5077 10.9517 10.9517 13.8665 13.8665 13.9183 13.9183 16.4660 16.4660 k = 0.0445 0.0257 0.0727 ( 1875 PWs) bands (ev): -26.2815 -26.2815 -15.8635 -15.8635 -15.4359 -15.4359 -8.9706 -8.9706 -7.8326 -7.8326 -7.8231 -7.8231 1.7668 1.7668 1.8053 1.8053 1.8299 1.8299 3.3882 3.3882 3.4688 3.4688 3.5084 3.5084 10.9103 10.9103 13.8712 13.8712 13.9117 13.9117 16.4874 16.4874 k = 0.0381 0.0220 0.0623 ( 1875 PWs) bands (ev): -26.2825 -26.2825 -15.8614 -15.8614 -15.4334 -15.4334 -8.9704 -8.9704 -7.8307 -7.8307 -7.8237 -7.8237 1.7589 1.7589 1.7987 1.7987 1.8163 1.8163 3.4001 3.4001 3.4795 3.4795 3.5094 3.5094 10.8739 10.8739 13.8756 13.8756 13.9058 13.9058 16.5059 16.5059 k = 0.0318 0.0183 0.0519 ( 1879 PWs) bands (ev): -26.2834 -26.2834 -15.8596 -15.8596 -15.4314 -15.4314 -8.9702 -8.9702 -7.8291 -7.8291 -7.8242 -7.8242 1.7519 1.7519 1.7931 1.7931 1.8050 1.8050 3.4094 3.4094 3.4892 3.4892 3.5105 3.5105 10.8428 10.8428 13.8794 13.8794 13.9007 13.9007 16.5214 16.5214 k = 0.0254 0.0147 0.0415 ( 1887 PWs) bands (ev): -26.2841 -26.2841 -15.8581 -15.8581 -15.4297 -15.4297 -8.9701 -8.9701 -7.8278 -7.8278 -7.8246 -7.8246 1.7459 1.7459 1.7885 1.7885 1.7959 1.7959 3.4164 3.4164 3.4977 3.4977 3.5116 3.5116 10.8171 10.8171 13.8826 13.8826 13.8964 13.8964 16.5338 16.5338 k = 0.0191 0.0110 0.0311 ( 1887 PWs) bands (ev): -26.2847 -26.2847 -15.8569 -15.8569 -15.4284 -15.4284 -8.9700 -8.9700 -7.8267 -7.8267 -7.8249 -7.8249 1.7410 1.7410 1.7849 1.7849 1.7890 1.7890 3.4214 3.4214 3.5047 3.5047 3.5126 3.5126 10.7970 10.7970 13.8852 13.8852 13.8930 13.8930 16.5429 16.5429 k = 0.0127 0.0073 0.0208 ( 1895 PWs) bands (ev): -26.2851 -26.2851 -15.8561 -15.8561 -15.4275 -15.4275 -8.9699 -8.9699 -7.8260 -7.8260 -7.8252 -7.8252 1.7374 1.7374 1.7823 1.7823 1.7841 1.7841 3.4247 3.4247 3.5099 3.5099 3.5135 3.5135 10.7826 10.7826 13.8870 13.8870 13.8906 13.8906 16.5490 16.5490 k = 0.0064 0.0037 0.0104 ( 1893 PWs) bands (ev): -26.2853 -26.2853 -15.8555 -15.8555 -15.4270 -15.4270 -8.9699 -8.9699 -7.8255 -7.8255 -7.8253 -7.8253 1.7351 1.7351 1.7808 1.7808 1.7812 1.7812 3.4266 3.4266 3.5132 3.5132 3.5140 3.5140 10.7739 10.7739 13.8882 13.8882 13.8891 13.8891 16.5524 16.5525 k = 0.0000 0.0000 0.0000 ( 1893 PWs) bands (ev): -26.2854 -26.2854 -15.8554 -15.8554 -15.4268 -15.4268 -8.9699 -8.9699 -7.8254 -7.8254 -7.8254 -7.8254 1.7344 1.7344 1.7803 1.7803 1.7803 1.7803 3.4273 3.4273 3.5142 3.5142 3.5142 3.5142 10.7710 10.7710 13.8886 13.8886 13.8886 13.8886 16.5535 16.5535 k = 0.0000 0.0000 0.0000 ( 1893 PWs) bands (ev): -26.2854 -26.2854 -15.8554 -15.8554 -15.4268 -15.4268 -8.9699 -8.9699 -7.8254 -7.8254 -7.8254 -7.8254 1.7344 1.7344 1.7803 1.7803 1.7803 1.7803 3.4273 3.4273 3.5142 3.5142 3.5142 3.5142 10.7710 10.7710 13.8886 13.8886 13.8886 13.8886 16.5535 16.5535 k = 0.0104 0.0060 0.0043 ( 1893 PWs) bands (ev): -26.2853 -26.2853 -15.8555 -15.8555 -15.4270 -15.4270 -8.9699 -8.9699 -7.8255 -7.8255 -7.8254 -7.8254 1.7351 1.7351 1.7808 1.7808 1.7812 1.7812 3.4266 3.4266 3.5133 3.5133 3.5139 3.5139 10.7739 10.7739 13.8886 13.8886 13.8886 13.8886 16.5525 16.5525 k = 0.0208 0.0120 0.0085 ( 1892 PWs) bands (ev): -26.2851 -26.2851 -15.8561 -15.8561 -15.4275 -15.4275 -8.9699 -8.9699 -7.8258 -7.8258 -7.8253 -7.8253 1.7374 1.7374 1.7825 1.7825 1.7841 1.7841 3.4247 3.4247 3.5105 3.5105 3.5128 3.5128 10.7826 10.7826 13.8888 13.8888 13.8888 13.8888 16.5492 16.5492 k = 0.0312 0.0180 0.0128 ( 1892 PWs) bands (ev): -26.2847 -26.2847 -15.8569 -15.8569 -15.4284 -15.4284 -8.9700 -8.9700 -7.8264 -7.8264 -7.8253 -7.8253 1.7411 1.7411 1.7851 1.7851 1.7888 1.7888 3.4215 3.4215 3.5060 3.5060 3.5111 3.5111 10.7972 10.7972 13.8891 13.8891 13.8892 13.8892 16.5433 16.5433 k = 0.0417 0.0241 0.0170 ( 1892 PWs) bands (ev): -26.2841 -26.2841 -15.8581 -15.8581 -15.4298 -15.4298 -8.9701 -8.9701 -7.8272 -7.8272 -7.8252 -7.8252 1.7460 1.7460 1.7889 1.7889 1.7956 1.7956 3.4169 3.4169 3.4999 3.4999 3.5087 3.5087 10.8174 10.8174 13.8895 13.8895 13.8896 13.8896 16.5346 16.5346 k = 0.0521 0.0301 0.0213 ( 1883 PWs) bands (ev): -26.2834 -26.2834 -15.8596 -15.8596 -15.4314 -15.4314 -8.9702 -8.9702 -7.8283 -7.8283 -7.8250 -7.8250 1.7521 1.7521 1.7937 1.7937 1.8045 1.8045 3.4108 3.4108 3.4924 3.4924 3.5056 3.5056 10.8432 10.8432 13.8900 13.8900 13.8902 13.8902 16.5229 16.5229 k = 0.0625 0.0361 0.0255 ( 1877 PWs) bands (ev): -26.2825 -26.2825 -15.8615 -15.8615 -15.4335 -15.4335 -8.9704 -8.9704 -7.8295 -7.8295 -7.8249 -7.8249 1.7592 1.7592 1.7996 1.7996 1.8156 1.8156 3.4030 3.4030 3.4837 3.4837 3.5018 3.5018 10.8745 10.8745 13.8906 13.8906 13.8910 13.8910 16.5083 16.5083 k = 0.0729 0.0421 0.0298 ( 1877 PWs) bands (ev): -26.2815 -26.2815 -15.8636 -15.8636 -15.4360 -15.4360 -8.9705 -8.9705 -7.8310 -7.8310 -7.8247 -7.8247 1.7672 1.7672 1.8064 1.8064 1.8289 1.8289 3.3933 3.3933 3.4743 3.4743 3.4974 3.4974 10.9111 10.9111 13.8914 13.8914 13.8919 13.8919 16.4909 16.4909 k = 0.0833 0.0481 0.0340 ( 1877 PWs) bands (ev): -26.2803 -26.2803 -15.8659 -15.8659 -15.4388 -15.4388 -8.9707 -8.9707 -7.8327 -7.8327 -7.8244 -7.8244 1.7760 1.7760 1.8142 1.8142 1.8444 1.8444 3.3816 3.3816 3.4643 3.4643 3.4924 3.4924 10.9527 10.9527 13.8924 13.8924 13.8929 13.8929 16.4709 16.4709 k = 0.0938 0.0541 0.0383 ( 1874 PWs) bands (ev): -26.2790 -26.2790 -15.8685 -15.8685 -15.4421 -15.4421 -8.9710 -8.9710 -7.8345 -7.8345 -7.8242 -7.8242 1.7856 1.7856 1.8230 1.8230 1.8621 1.8621 3.3678 3.3678 3.4540 3.4540 3.4868 3.4868 10.9993 10.9993 13.8935 13.8935 13.8942 13.8942 16.4485 16.4485 k = 0.1042 0.0601 0.0425 ( 1874 PWs) bands (ev): -26.2776 -26.2776 -15.8713 -15.8713 -15.4457 -15.4457 -8.9712 -8.9712 -7.8366 -7.8366 -7.8238 -7.8238 1.7959 1.7959 1.8326 1.8326 1.8819 1.8819 3.3517 3.3517 3.4437 3.4437 3.4806 3.4806 11.0504 11.0504 13.8947 13.8947 13.8956 13.8956 16.4240 16.4240 k = 0.1146 0.0662 0.0468 ( 1880 PWs) bands (ev): -26.2760 -26.2760 -15.8744 -15.8744 -15.4498 -15.4498 -8.9715 -8.9715 -7.8389 -7.8389 -7.8234 -7.8234 1.8070 1.8070 1.8432 1.8432 1.9037 1.9037 3.3336 3.3336 3.4333 3.4333 3.4739 3.4739 11.1060 11.1060 13.8962 13.8962 13.8972 13.8972 16.3976 16.3976 k = 0.1250 0.0722 0.0510 ( 1880 PWs) bands (ev): -26.2743 -26.2743 -15.8775 -15.8775 -15.4542 -15.4542 -8.9718 -8.9718 -7.8413 -7.8413 -7.8229 -7.8229 1.8187 1.8187 1.8546 1.8546 1.9273 1.9273 3.3136 3.3136 3.4230 3.4230 3.4667 3.4667 11.1656 11.1656 13.8978 13.8978 13.8990 13.8990 16.3693 16.3693 k = 0.1354 0.0782 0.0553 ( 1880 PWs) bands (ev): -26.2725 -26.2725 -15.8808 -15.8808 -15.4591 -15.4591 -8.9721 -8.9721 -7.8439 -7.8439 -7.8224 -7.8224 1.8312 1.8312 1.8668 1.8668 1.9527 1.9527 3.2919 3.2919 3.4127 3.4127 3.4589 3.4589 11.2291 11.2291 13.8996 13.8996 13.9010 13.9010 16.3395 16.3395 k = 0.1458 0.0842 0.0595 ( 1883 PWs) bands (ev): -26.2706 -26.2706 -15.8842 -15.8842 -15.4643 -15.4643 -8.9724 -8.9724 -7.8466 -7.8466 -7.8218 -7.8218 1.8442 1.8442 1.8797 1.8797 1.9796 1.9796 3.2688 3.2688 3.4023 3.4023 3.4508 3.4508 11.2961 11.2961 13.9016 13.9016 13.9032 13.9032 16.3082 16.3082 k = 0.1562 0.0902 0.0638 ( 1877 PWs) bands (ev): -26.2686 -26.2686 -15.8877 -15.8877 -15.4699 -15.4699 -8.9727 -8.9727 -7.8495 -7.8495 -7.8211 -7.8211 1.8579 1.8579 1.8933 1.8933 2.0081 2.0081 3.2445 3.2445 3.3918 3.3918 3.4422 3.4422 11.3663 11.3663 13.9039 13.9039 13.9057 13.9057 16.2757 16.2757 k = 0.1667 0.0962 0.0680 ( 1877 PWs) bands (ev): -26.2665 -26.2665 -15.8912 -15.8912 -15.4759 -15.4759 -8.9730 -8.9730 -7.8525 -7.8525 -7.8203 -7.8203 1.8722 1.8722 1.9076 1.9076 2.0379 2.0379 3.2192 3.2192 3.3812 3.3812 3.4333 3.4333 11.4395 11.4395 13.9064 13.9064 13.9083 13.9083 16.2420 16.2420 k = 0.1771 0.1022 0.0723 ( 1877 PWs) bands (ev): -26.2643 -26.2643 -15.8947 -15.8947 -15.4823 -15.4823 -8.9734 -8.9734 -7.8556 -7.8556 -7.8194 -7.8194 1.8870 1.8870 1.9224 1.9224 2.0688 2.0688 3.1931 3.1931 3.3704 3.3704 3.4240 3.4240 11.5152 11.5152 13.9090 13.9090 13.9112 13.9112 16.2072 16.2072 k = 0.1875 0.1083 0.0765 ( 1895 PWs) bands (ev): -26.2621 -26.2621 -15.8983 -15.8983 -15.4890 -15.4890 -8.9737 -8.9737 -7.8588 -7.8588 -7.8185 -7.8185 1.9023 1.9023 1.9377 1.9377 2.1008 2.1008 3.1664 3.1664 3.3595 3.3595 3.4144 3.4144 11.5931 11.5931 13.9119 13.9119 13.9142 13.9142 16.1714 16.1714 k = 0.1979 0.1143 0.0808 ( 1901 PWs) bands (ev): -26.2597 -26.2597 -15.9017 -15.9017 -15.4961 -15.4961 -8.9741 -8.9741 -7.8621 -7.8621 -7.8174 -7.8174 1.9180 1.9180 1.9536 1.9536 2.1337 2.1337 3.1393 3.1393 3.3484 3.3484 3.4046 3.4046 11.6730 11.6730 13.9150 13.9150 13.9175 13.9175 16.1345 16.1345 k = 0.2083 0.1203 0.0851 ( 1895 PWs) bands (ev): -26.2574 -26.2574 -15.9051 -15.9051 -15.5035 -15.5035 -8.9745 -8.9745 -7.8655 -7.8655 -7.8162 -7.8162 1.9341 1.9341 1.9698 1.9698 2.1674 2.1674 3.1121 3.1121 3.3372 3.3372 3.3945 3.3945 11.7546 11.7546 13.9184 13.9184 13.9210 13.9210 16.0966 16.0966 k = 0.2188 0.1263 0.0893 ( 1895 PWs) bands (ev): -26.2549 -26.2549 -15.9083 -15.9083 -15.5112 -15.5112 -8.9748 -8.9748 -7.8689 -7.8689 -7.8150 -7.8150 1.9505 1.9505 1.9863 1.9863 2.2017 2.2017 3.0848 3.0848 3.3259 3.3259 3.3843 3.3843 11.8375 11.8375 13.9219 13.9219 13.9248 13.9248 16.0575 16.0575 k = 0.2292 0.1323 0.0936 ( 1889 PWs) bands (ev): -26.2525 -26.2525 -15.9115 -15.9115 -15.5193 -15.5193 -8.9752 -8.9752 -7.8723 -7.8723 -7.8136 -7.8136 1.9672 1.9672 2.0031 2.0031 2.2365 2.2365 3.0575 3.0575 3.3145 3.3145 3.3740 3.3740 11.9214 11.9214 13.9257 13.9257 13.9287 13.9287 16.0170 16.0170 k = 0.2396 0.1383 0.0978 ( 1889 PWs) bands (ev): -26.2500 -26.2500 -15.9144 -15.9144 -15.5276 -15.5276 -8.9755 -8.9755 -7.8758 -7.8758 -7.8122 -7.8122 1.9841 1.9841 2.0201 2.0201 2.2716 2.2716 3.0304 3.0304 3.3030 3.3030 3.3636 3.3636 12.0060 12.0060 13.9296 13.9296 13.9327 13.9327 15.9750 15.9750 k = 0.2500 0.1443 0.1021 ( 1886 PWs) bands (ev): -26.2475 -26.2475 -15.9172 -15.9172 -15.5361 -15.5361 -8.9759 -8.9759 -7.8793 -7.8793 -7.8106 -7.8106 2.0012 2.0012 2.0373 2.0373 2.3068 2.3068 3.0037 3.0037 3.2916 3.2916 3.3531 3.3531 12.0912 12.0912 13.9337 13.9337 13.9370 13.9370 15.9310 15.9310 k = 0.2604 0.1504 0.1063 ( 1886 PWs) bands (ev): -26.2450 -26.2450 -15.9198 -15.9198 -15.5449 -15.5449 -8.9763 -8.9763 -7.8828 -7.8828 -7.8090 -7.8090 2.0183 2.0183 2.0545 2.0545 2.3419 2.3419 2.9774 2.9774 3.2801 3.2801 3.3427 3.3427 12.1766 12.1766 13.9379 13.9379 13.9414 13.9414 15.8849 15.8849 k = 0.2708 0.1564 0.1106 ( 1880 PWs) bands (ev): -26.2425 -26.2425 -15.9222 -15.9222 -15.5538 -15.5538 -8.9766 -8.9766 -7.8862 -7.8862 -7.8073 -7.8073 2.0354 2.0354 2.0716 2.0716 2.3769 2.3769 2.9517 2.9517 3.2687 3.2687 3.3323 3.3323 12.2620 12.2620 13.9423 13.9423 13.9459 13.9459 15.8362 15.8362 k = 0.2812 0.1624 0.1148 ( 1880 PWs) bands (ev): -26.2400 -26.2400 -15.9243 -15.9243 -15.5630 -15.5630 -8.9770 -8.9770 -7.8896 -7.8896 -7.8056 -7.8056 2.0525 2.0525 2.0887 2.0887 2.4115 2.4115 2.9267 2.9267 3.2574 3.2574 3.3220 3.3220 12.3473 12.3473 13.9468 13.9468 13.9505 13.9505 15.7847 15.7847 k = 0.2917 0.1684 0.1191 ( 1886 PWs) bands (ev): -26.2376 -26.2376 -15.9262 -15.9262 -15.5722 -15.5722 -8.9773 -8.9773 -7.8930 -7.8930 -7.8038 -7.8038 2.0694 2.0694 2.1056 2.1056 2.4457 2.4457 2.9024 2.9024 3.2461 3.2461 3.3118 3.3118 12.4323 12.4323 13.9513 13.9513 13.9552 13.9552 15.7300 15.7300 k = 0.3021 0.1744 0.1233 ( 1892 PWs) bands (ev): -26.2352 -26.2352 -15.9278 -15.9278 -15.5815 -15.5815 -8.9777 -8.9777 -7.8963 -7.8963 -7.8020 -7.8020 2.0861 2.0861 2.1223 2.1223 2.4791 2.4791 2.8789 2.8789 3.2351 3.2351 3.3018 3.3018 12.5169 12.5169 13.9560 13.9560 13.9599 13.9599 15.6718 15.6718 k = 0.3125 0.1804 0.1276 ( 1892 PWs) bands (ev): -26.2328 -26.2328 -15.9292 -15.9292 -15.5909 -15.5909 -8.9780 -8.9780 -7.8995 -7.8995 -7.8002 -7.8002 2.1025 2.1025 2.1386 2.1386 2.5118 2.5118 2.8564 2.8564 3.2243 3.2243 3.2920 3.2920 12.6010 12.6010 13.9606 13.9606 13.9646 13.9646 15.6099 15.6099 k = 0.3229 0.1864 0.1318 ( 1886 PWs) bands (ev): -26.2306 -26.2306 -15.9302 -15.9302 -15.6003 -15.6003 -8.9784 -8.9784 -7.9027 -7.9027 -7.7983 -7.7983 2.1186 2.1186 2.1546 2.1546 2.5436 2.5436 2.8349 2.8349 3.2137 3.2137 3.2825 3.2825 12.6846 12.6846 13.9653 13.9653 13.9694 13.9694 15.5444 15.5444 k = 0.3333 0.1925 0.1361 ( 1886 PWs) bands (ev): -26.2283 -26.2283 -15.9310 -15.9310 -15.6096 -15.6096 -8.9787 -8.9787 -7.9057 -7.9057 -7.7964 -7.7964 2.1342 2.1342 2.1702 2.1702 2.5741 2.5741 2.8144 2.8144 3.2034 3.2034 3.2732 3.2732 12.7677 12.7677 13.9699 13.9699 13.9741 13.9741 15.4752 15.4752 k = 0.3438 0.1985 0.1403 ( 1886 PWs) bands (ev): -26.2262 -26.2262 -15.9316 -15.9316 -15.6188 -15.6188 -8.9790 -8.9790 -7.9086 -7.9086 -7.7945 -7.7945 2.1493 2.1493 2.1852 2.1852 2.6034 2.6034 2.7952 2.7952 3.1935 3.1935 3.2643 3.2643 12.8502 12.8502 13.9744 13.9744 13.9787 13.9787 15.4023 15.4023 k = 0.3542 0.2045 0.1446 ( 1886 PWs) bands (ev): -26.2241 -26.2241 -15.9319 -15.9319 -15.6279 -15.6279 -8.9794 -8.9794 -7.9114 -7.9114 -7.7927 -7.7927 2.1639 2.1639 2.1996 2.1996 2.6310 2.6310 2.7775 2.7775 3.1839 3.1839 3.2558 3.2558 12.9323 12.9323 13.9789 13.9789 13.9832 13.9832 15.3262 15.3262 k = 0.3646 0.2105 0.1488 ( 1886 PWs) bands (ev): -26.2222 -26.2222 -15.9319 -15.9319 -15.6368 -15.6368 -8.9797 -8.9797 -7.9140 -7.9140 -7.7909 -7.7909 2.1779 2.1779 2.2133 2.2133 2.6567 2.6567 2.7614 2.7614 3.1748 3.1748 3.2477 3.2477 13.0140 13.0140 13.9832 13.9832 13.9876 13.9876 15.2469 15.2469 k = 0.3750 0.2165 0.1531 ( 1880 PWs) bands (ev): -26.2203 -26.2203 -15.9317 -15.9317 -15.6453 -15.6453 -8.9799 -8.9799 -7.9165 -7.9165 -7.7892 -7.7892 2.1911 2.1911 2.2264 2.2264 2.6793 2.6793 2.7481 2.7481 3.1661 3.1661 3.2400 3.2400 13.0954 13.0954 13.9874 13.9874 13.9918 13.9918 15.1649 15.1649 k = 0.3854 0.2225 0.1573 ( 1883 PWs) bands (ev): -26.2186 -26.2186 -15.9313 -15.9313 -15.6536 -15.6536 -8.9802 -8.9802 -7.9188 -7.9188 -7.7875 -7.7875 2.2036 2.2036 2.2386 2.2386 2.6954 2.6954 2.7408 2.7408 3.1579 3.1579 3.2328 3.2328 13.1766 13.1766 13.9914 13.9914 13.9958 13.9958 15.0806 15.0806 k = 0.3958 0.2285 0.1616 ( 1877 PWs) bands (ev): -26.2170 -26.2170 -15.9307 -15.9307 -15.6615 -15.6615 -8.9805 -8.9805 -7.9210 -7.9210 -7.7859 -7.7859 2.2152 2.2152 2.2500 2.2500 2.6983 2.6983 2.7461 2.7461 3.1503 3.1503 3.2261 3.2261 13.2579 13.2579 13.9952 13.9952 13.9996 13.9996 14.9943 14.9943 k = 0.4062 0.2345 0.1659 ( 1883 PWs) bands (ev): -26.2155 -26.2155 -15.9300 -15.9300 -15.6690 -15.6690 -8.9807 -8.9807 -7.9230 -7.9230 -7.7845 -7.7845 2.2259 2.2259 2.2605 2.2605 2.6917 2.6917 2.7605 2.7605 3.1432 3.1432 3.2200 3.2200 13.3392 13.3392 13.9986 13.9986 14.0031 14.0031 14.9065 14.9065 k = 0.4167 0.2406 0.1701 ( 1883 PWs) bands (ev): -26.2142 -26.2142 -15.9292 -15.9292 -15.6759 -15.6759 -8.9809 -8.9809 -7.9248 -7.9248 -7.7831 -7.7831 2.2357 2.2357 2.2700 2.2700 2.6828 2.6828 2.7765 2.7765 3.1368 3.1368 3.2144 3.2144 13.4208 13.4208 14.0019 14.0019 14.0063 14.0063 14.8176 14.8176 k = 0.4271 0.2466 0.1744 ( 1877 PWs) bands (ev): -26.2130 -26.2130 -15.9283 -15.9283 -15.6823 -15.6823 -8.9811 -8.9811 -7.9264 -7.9264 -7.7819 -7.7819 2.2444 2.2444 2.2786 2.2786 2.6740 2.6740 2.7918 2.7918 3.1310 3.1310 3.2094 3.2094 13.5028 13.5028 14.0048 14.0048 14.0092 14.0092 14.7279 14.7279 k = 0.4375 0.2526 0.1786 ( 1877 PWs) bands (ev): -26.2120 -26.2120 -15.9274 -15.9274 -15.6880 -15.6880 -8.9813 -8.9813 -7.9277 -7.9277 -7.7808 -7.7808 2.2521 2.2521 2.2861 2.2861 2.6661 2.6661 2.8054 2.8054 3.1260 3.1260 3.2050 3.2050 13.5853 13.5853 14.0074 14.0074 14.0118 14.0118 14.6377 14.6377 k = 0.4479 0.2586 0.1829 ( 1883 PWs) bands (ev): -26.2111 -26.2111 -15.9265 -15.9265 -15.6930 -15.6930 -8.9814 -8.9814 -7.9290 -7.9290 -7.7799 -7.7799 2.2586 2.2586 2.2925 2.2925 2.6592 2.6592 2.8172 2.8172 3.1216 3.1216 3.2012 3.2012 13.6684 13.6684 14.0097 14.0097 14.0140 14.0140 14.5474 14.5474 k = 0.4583 0.2646 0.1871 ( 1883 PWs) bands (ev): -26.2103 -26.2103 -15.9257 -15.9257 -15.6971 -15.6971 -8.9816 -8.9816 -7.9299 -7.9299 -7.7791 -7.7791 2.2641 2.2641 2.2978 2.2978 2.6535 2.6535 2.8270 2.8270 3.1180 3.1180 3.1981 3.1981 13.7520 13.7520 14.0116 14.0116 14.0159 14.0159 14.4572 14.4572 k = 0.4688 0.2706 0.1914 ( 1883 PWs) bands (ev): -26.2098 -26.2098 -15.9250 -15.9250 -15.7004 -15.7004 -8.9816 -8.9816 -7.9307 -7.9307 -7.7785 -7.7785 2.2683 2.2683 2.3019 2.3019 2.6490 2.6490 2.8347 2.8347 3.1152 3.1152 3.1957 3.1957 13.8361 13.8361 14.0134 14.0134 14.0173 14.0173 14.3675 14.3675 k = 0.4792 0.2766 0.1956 ( 1892 PWs) bands (ev): -26.2094 -26.2094 -15.9245 -15.9245 -15.7029 -15.7029 -8.9817 -8.9817 -7.9313 -7.9313 -7.7780 -7.7780 2.2714 2.2714 2.3049 2.3049 2.6458 2.6458 2.8402 2.8402 3.1131 3.1131 3.1940 3.1940 13.9199 13.9199 14.0155 14.0155 14.0183 14.0183 14.2787 14.2787 k = 0.4896 0.2827 0.1999 ( 1892 PWs) bands (ev): -26.2091 -26.2091 -15.9242 -15.9242 -15.7043 -15.7043 -8.9818 -8.9818 -7.9316 -7.9316 -7.7778 -7.7778 2.2732 2.2732 2.3067 2.3067 2.6438 2.6438 2.8435 2.8435 3.1119 3.1119 3.1929 3.1929 13.9939 13.9939 14.0190 14.0190 14.0264 14.0264 14.1919 14.1919 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9241 -15.9241 -15.7048 -15.7048 -8.9818 -8.9818 -7.9317 -7.9317 -7.7777 -7.7777 2.2739 2.2739 2.3073 2.3073 2.6432 2.6432 2.8446 2.8446 3.1115 3.1115 3.1926 3.1926 14.0083 14.0083 14.0192 14.0192 14.0770 14.0770 14.1264 14.1264 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9241 -15.9241 -15.7048 -15.7048 -8.9818 -8.9818 -7.9317 -7.9317 -7.7777 -7.7777 2.2739 2.2739 2.3073 2.3073 2.6432 2.6432 2.8446 2.8446 3.1115 3.1115 3.1926 3.1926 14.0083 14.0083 14.0192 14.0192 14.0770 14.0770 14.1264 14.1264 k = 0.5037 0.2781 0.2101 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9240 -15.9240 -15.7051 -15.7051 -8.9818 -8.9818 -7.9317 -7.9317 -7.7778 -7.7778 2.2741 2.2741 2.3074 2.3074 2.6409 2.6409 2.8459 2.8459 3.1123 3.1123 3.1932 3.1932 13.9499 13.9499 14.0147 14.0147 14.1201 14.1201 14.1485 14.1485 k = 0.5074 0.2674 0.2161 ( 1892 PWs) bands (ev): -26.2089 -26.2089 -15.9237 -15.9237 -15.7059 -15.7059 -8.9817 -8.9817 -7.9315 -7.9315 -7.7782 -7.7782 2.2745 2.2745 2.3079 2.3079 2.6342 2.6342 2.8498 2.8498 3.1144 3.1144 3.1952 3.1952 13.8632 13.8632 14.0172 14.0172 14.1267 14.1267 14.2334 14.2334 k = 0.5110 0.2568 0.2221 ( 1889 PWs) bands (ev): -26.2087 -26.2087 -15.9233 -15.9233 -15.7072 -15.7072 -8.9816 -8.9816 -7.9312 -7.9312 -7.7788 -7.7788 2.2750 2.2750 2.3090 2.3090 2.6234 2.6234 2.8562 2.8562 3.1174 3.1174 3.1987 3.1987 13.7756 13.7756 14.0215 14.0215 14.1323 14.1323 14.3227 14.3227 k = 0.5147 0.2462 0.2281 ( 1887 PWs) bands (ev): -26.2084 -26.2084 -15.9227 -15.9227 -15.7090 -15.7090 -8.9815 -8.9815 -7.9308 -7.9308 -7.7797 -7.7797 2.2750 2.2750 2.3113 2.3113 2.6090 2.6090 2.8650 2.8650 3.1205 3.1205 3.2041 3.2041 13.6889 13.6889 14.0275 14.0275 14.1398 14.1398 14.4116 14.4116 k = 0.5184 0.2356 0.2341 ( 1883 PWs) bands (ev): -26.2080 -26.2080 -15.9219 -15.9219 -15.7114 -15.7114 -8.9814 -8.9814 -7.9304 -7.9304 -7.7807 -7.7807 2.2742 2.2742 2.3150 2.3150 2.5916 2.5916 2.8761 2.8761 3.1229 3.1229 3.2116 3.2116 13.6037 13.6037 14.0352 14.0352 14.1493 14.1493 14.4989 14.4989 k = 0.5221 0.2250 0.2401 ( 1883 PWs) bands (ev): -26.2076 -26.2076 -15.9210 -15.9210 -15.7142 -15.7142 -8.9812 -8.9812 -7.9299 -7.9299 -7.7819 -7.7819 2.2722 2.2722 2.3206 2.3206 2.5719 2.5719 2.8893 2.8893 3.1243 3.1243 3.2212 3.2212 13.5202 13.5202 14.0447 14.0447 14.1606 14.1606 14.5837 14.5837 k = 0.5257 0.2144 0.2461 ( 1882 PWs) bands (ev): -26.2071 -26.2071 -15.9199 -15.9199 -15.7175 -15.7175 -8.9811 -8.9811 -7.9294 -7.9294 -7.7833 -7.7833 2.2691 2.2691 2.3279 2.3279 2.5504 2.5504 2.9044 2.9044 3.1244 3.1244 3.2325 3.2325 13.4388 13.4388 14.0557 14.0557 14.1739 14.1739 14.6650 14.6650 k = 0.5294 0.2038 0.2522 ( 1880 PWs) bands (ev): -26.2065 -26.2065 -15.9186 -15.9186 -15.7212 -15.7212 -8.9810 -8.9810 -7.9289 -7.9289 -7.7847 -7.7847 2.2647 2.2647 2.3368 2.3368 2.5278 2.5278 2.9213 2.9213 3.1233 3.1233 3.2453 3.2453 13.3595 13.3595 14.0685 14.0685 14.1889 14.1889 14.7418 14.7418 k = 0.5331 0.1932 0.2582 ( 1878 PWs) bands (ev): -26.2059 -26.2059 -15.9173 -15.9173 -15.7253 -15.7253 -8.9808 -8.9808 -7.9284 -7.9284 -7.7861 -7.7861 2.2591 2.2591 2.3472 2.3472 2.5048 2.5048 2.9398 2.9398 3.1211 3.1211 3.2590 3.2590 13.2825 13.2825 14.0828 14.0828 14.2056 14.2056 14.8131 14.8131 k = 0.5368 0.1825 0.2642 ( 1876 PWs) bands (ev): -26.2052 -26.2052 -15.9158 -15.9158 -15.7299 -15.7299 -8.9808 -8.9808 -7.9280 -7.9280 -7.7874 -7.7874 2.2521 2.2521 2.3588 2.3588 2.4820 2.4820 2.9597 2.9597 3.1179 3.1179 3.2732 3.2732 13.2079 13.2079 14.0986 14.0986 14.2237 14.2237 14.8778 14.8778 k = 0.5404 0.1719 0.2702 ( 1878 PWs) bands (ev): -26.2044 -26.2044 -15.9142 -15.9142 -15.7347 -15.7347 -8.9807 -8.9807 -7.9278 -7.9278 -7.7887 -7.7887 2.2433 2.2433 2.3716 2.3716 2.4604 2.4604 2.9808 2.9808 3.1140 3.1140 3.2876 3.2876 13.1358 13.1358 14.1160 14.1160 14.2432 14.2432 14.9353 14.9353 k = 0.5441 0.1613 0.2762 ( 1875 PWs) bands (ev): -26.2036 -26.2036 -15.9125 -15.9125 -15.7399 -15.7399 -8.9807 -8.9807 -7.9279 -7.9279 -7.7897 -7.7897 2.2324 2.2324 2.3852 2.3852 2.4410 2.4410 3.0029 3.0029 3.1094 3.1094 3.3018 3.3018 13.0662 13.0662 14.1348 14.1348 14.2638 14.2638 14.9848 14.9848 k = 0.5478 0.1507 0.2822 ( 1877 PWs) bands (ev): -26.2028 -26.2028 -15.9108 -15.9108 -15.7452 -15.7452 -8.9808 -8.9808 -7.9281 -7.9281 -7.7905 -7.7905 2.2190 2.2190 2.3979 2.3979 2.4259 2.4259 3.0258 3.0258 3.1042 3.1042 3.3157 3.3157 12.9992 12.9992 14.1551 14.1551 14.2852 14.2852 15.0262 15.0262 k = 0.5515 0.1401 0.2882 ( 1875 PWs) bands (ev): -26.2019 -26.2019 -15.9090 -15.9090 -15.7508 -15.7508 -8.9809 -8.9809 -7.9288 -7.9288 -7.7909 -7.7909 2.2027 2.2027 2.4004 2.4004 2.4249 2.4249 3.0492 3.0492 3.0986 3.0986 3.3292 3.3292 12.9348 12.9348 14.1767 14.1767 14.3071 14.3071 15.0596 15.0596 k = 0.5551 0.1295 0.2942 ( 1873 PWs) bands (ev): -26.2010 -26.2010 -15.9073 -15.9073 -15.7565 -15.7565 -8.9811 -8.9811 -7.9298 -7.9298 -7.7909 -7.7909 2.1835 2.1835 2.3923 2.3923 2.4388 2.4388 3.0724 3.0724 3.0932 3.0932 3.3420 3.3420 12.8731 12.8731 14.1996 14.1996 14.3292 14.3292 15.0854 15.0854 k = 0.5588 0.1189 0.3002 ( 1873 PWs) bands (ev): -26.2000 -26.2000 -15.9056 -15.9056 -15.7622 -15.7622 -8.9814 -8.9814 -7.9312 -7.9312 -7.7903 -7.7903 2.1617 2.1617 2.3848 2.3848 2.4560 2.4560 3.0830 3.0830 3.1002 3.1002 3.3542 3.3542 12.8141 12.8141 14.2236 14.2236 14.3510 14.3510 15.1047 15.1047 k = 0.5625 0.1083 0.3062 ( 1868 PWs) bands (ev): -26.1990 -26.1990 -15.9041 -15.9041 -15.7679 -15.7679 -8.9818 -8.9818 -7.9331 -7.9331 -7.7893 -7.7893 2.1377 2.1377 2.3798 2.3798 2.4745 2.4745 3.0772 3.0772 3.1234 3.1234 3.3656 3.3656 12.7577 12.7577 14.2488 14.2488 14.3722 14.3722 15.1186 15.1186 k = 0.5662 0.0976 0.3122 ( 1869 PWs) bands (ev): -26.1980 -26.1980 -15.9028 -15.9028 -15.7733 -15.7733 -8.9823 -8.9823 -7.9354 -7.9354 -7.7877 -7.7877 2.1120 2.1120 2.3771 2.3771 2.4937 2.4937 3.0701 3.0701 3.1475 3.1475 3.3763 3.3763 12.7039 12.7039 14.2750 14.2750 14.3921 14.3921 15.1285 15.1285 k = 0.5699 0.0870 0.3182 ( 1871 PWs) bands (ev): -26.1970 -26.1970 -15.9018 -15.9018 -15.7785 -15.7785 -8.9829 -8.9829 -7.9382 -7.9382 -7.7856 -7.7856 2.0851 2.0851 2.3766 2.3766 2.5135 2.5135 3.0627 3.0627 3.1714 3.1714 3.3862 3.3862 12.6529 12.6529 14.3020 14.3020 14.4103 14.4103 15.1357 15.1357 k = 0.5735 0.0764 0.3242 ( 1871 PWs) bands (ev): -26.1960 -26.1960 -15.9012 -15.9012 -15.7833 -15.7833 -8.9837 -8.9837 -7.9414 -7.9414 -7.7829 -7.7829 2.0575 2.0575 2.3778 2.3778 2.5337 2.5337 3.0550 3.0550 3.1948 3.1948 3.3955 3.3955 12.6044 12.6044 14.3296 14.3296 14.4263 14.4263 15.1416 15.1416 k = 0.5772 0.0658 0.3302 ( 1869 PWs) bands (ev): -26.1950 -26.1950 -15.9011 -15.9011 -15.7875 -15.7875 -8.9845 -8.9845 -7.9451 -7.9451 -7.7797 -7.7797 2.0296 2.0296 2.3805 2.3805 2.5542 2.5542 3.0474 3.0474 3.2175 3.2175 3.4041 3.4041 12.5586 12.5586 14.3575 14.3575 14.4399 14.4399 15.1476 15.1476 k = 0.5809 0.0552 0.3362 ( 1869 PWs) bands (ev): -26.1941 -26.1941 -15.9016 -15.9016 -15.7909 -15.7909 -8.9854 -8.9854 -7.9490 -7.9490 -7.7761 -7.7761 2.0016 2.0016 2.3845 2.3845 2.5747 2.5747 3.0397 3.0397 3.2391 3.2391 3.4123 3.4123 12.5154 12.5154 14.3847 14.3847 14.4512 14.4512 15.1549 15.1549 k = 0.5846 0.0446 0.3422 ( 1867 PWs) bands (ev): -26.1931 -26.1931 -15.9029 -15.9029 -15.7935 -15.7935 -8.9865 -8.9865 -7.9533 -7.9533 -7.7720 -7.7720 1.9739 1.9739 2.3896 2.3896 2.5950 2.5950 3.0323 3.0323 3.2594 3.2594 3.4200 3.4200 12.4747 12.4747 14.4092 14.4092 14.4621 14.4621 15.1642 15.1642 k = 0.5882 0.0340 0.3482 ( 1867 PWs) bands (ev): -26.1922 -26.1922 -15.9050 -15.9050 -15.7952 -15.7952 -8.9876 -8.9876 -7.9578 -7.9578 -7.7675 -7.7675 1.9466 1.9466 2.3957 2.3957 2.6150 2.6150 3.0253 3.0253 3.2780 3.2780 3.4276 3.4276 12.4365 12.4365 14.4258 14.4258 14.4773 14.4773 15.1762 15.1762 k = 0.5919 0.0233 0.3542 ( 1869 PWs) bands (ev): -26.1913 -26.1913 -15.9079 -15.9079 -15.7959 -15.7959 -8.9888 -8.9888 -7.9626 -7.9626 -7.7627 -7.7627 1.9199 1.9199 2.4025 2.4025 2.6343 2.6343 3.0189 3.0189 3.2947 3.2947 3.4352 3.4352 12.4007 12.4007 14.4312 14.4312 14.5004 14.5004 15.1912 15.1912 k = 0.5956 0.0127 0.3602 ( 1873 PWs) bands (ev): -26.1904 -26.1904 -15.9116 -15.9116 -15.7956 -15.7956 -8.9902 -8.9902 -7.9674 -7.9674 -7.7577 -7.7577 1.8940 1.8940 2.4100 2.4100 2.6527 2.6527 3.0133 3.0133 3.3092 3.3092 3.4429 3.4429 12.3674 12.3674 14.4284 14.4284 14.5285 14.5285 15.2091 15.2091 k = 0.5993 0.0021 0.3662 ( 1875 PWs) bands (ev): -26.1896 -26.1896 -15.9160 -15.9160 -15.7944 -15.7944 -8.9916 -8.9916 -7.9724 -7.9724 -7.7525 -7.7525 1.8691 1.8691 2.4180 2.4180 2.6696 2.6696 3.0090 3.0090 3.3213 3.3213 3.4509 3.4509 12.3364 12.3364 14.4207 14.4207 14.5587 14.5587 15.2296 15.2296 k = 0.6029-0.0085 0.3722 ( 1875 PWs) bands (ev): -26.1888 -26.1888 -15.9209 -15.9209 -15.7923 -15.7923 -8.9930 -8.9930 -7.9774 -7.9774 -7.7471 -7.7471 1.8452 1.8452 2.4265 2.4265 2.6848 2.6848 3.0062 3.0062 3.3310 3.3310 3.4592 3.4592 12.3078 12.3078 14.4099 14.4099 14.5897 14.5897 15.2525 15.2525 k = 0.6066-0.0191 0.3782 ( 1876 PWs) bands (ev): -26.1881 -26.1881 -15.9263 -15.9263 -15.7895 -15.7895 -8.9945 -8.9945 -7.9824 -7.9824 -7.7416 -7.7416 1.8224 1.8224 2.4352 2.4352 2.6978 2.6978 3.0054 3.0054 3.3382 3.3382 3.4677 3.4677 12.2814 12.2814 14.3970 14.3970 14.6211 14.6211 15.2770 15.2770 k = 0.6103-0.0297 0.3842 ( 1876 PWs) bands (ev): -26.1875 -26.1875 -15.9320 -15.9320 -15.7860 -15.7860 -8.9961 -8.9961 -7.9873 -7.9873 -7.7360 -7.7360 1.8009 1.8009 2.4441 2.4441 2.7080 2.7080 3.0069 3.0069 3.3433 3.3433 3.4761 3.4761 12.2573 12.2573 14.3829 14.3829 14.6524 14.6524 15.3027 15.3027 k = 0.6140-0.0403 0.3902 ( 1879 PWs) bands (ev): -26.1870 -26.1870 -15.9380 -15.9380 -15.7820 -15.7820 -8.9976 -8.9976 -7.9922 -7.9922 -7.7305 -7.7305 1.7808 1.7808 2.4531 2.4531 2.7152 2.7152 3.0110 3.0110 3.3465 3.3465 3.4841 3.4841 12.2353 12.2353 14.3684 14.3684 14.6835 14.6835 15.3291 15.3291 k = 0.6176-0.0509 0.3962 ( 1879 PWs) bands (ev): -26.1865 -26.1865 -15.9441 -15.9441 -15.7775 -15.7775 -8.9992 -8.9992 -7.9969 -7.9969 -7.7250 -7.7250 1.7622 1.7622 2.4619 2.4619 2.7192 2.7192 3.0179 3.0179 3.3482 3.3482 3.4914 3.4914 12.2154 12.2154 14.3541 14.3541 14.7140 14.7140 15.3554 15.3554 k = 0.6213-0.0616 0.4022 ( 1878 PWs) bands (ev): -26.1861 -26.1861 -15.9502 -15.9502 -15.7725 -15.7725 -9.0008 -9.0008 -8.0015 -8.0015 -7.7196 -7.7196 1.7451 1.7451 2.4705 2.4705 2.7200 2.7200 3.0274 3.0274 3.3486 3.3486 3.4976 3.4976 12.1976 12.1976 14.3405 14.3405 14.7439 14.7439 15.3813 15.3813 k = 0.6250-0.0722 0.4082 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9562 -15.9562 -15.7672 -15.7672 -9.0024 -9.0024 -8.0058 -8.0058 -7.7143 -7.7143 1.7296 1.7296 2.4787 2.4787 2.7178 2.7178 3.0395 3.0395 3.3482 3.3482 3.5025 3.5025 12.1818 12.1818 14.3283 14.3283 14.7729 14.7729 15.4062 15.4062 k = 0.6250-0.0722 0.4082 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9562 -15.9562 -15.7672 -15.7672 -9.0024 -9.0024 -8.0058 -8.0058 -7.7143 -7.7143 1.7296 1.7296 2.4787 2.4787 2.7178 2.7178 3.0395 3.0395 3.3482 3.3482 3.5025 3.5025 12.1818 12.1818 14.3283 14.3283 14.7729 14.7729 15.4062 15.4062 k = 0.6188-0.0686 0.4185 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9560 -15.9560 -15.7675 -15.7675 -9.0024 -9.0024 -8.0056 -8.0056 -7.7145 -7.7145 1.7302 1.7302 2.4767 2.4767 2.7194 2.7194 3.0393 3.0393 3.3483 3.3483 3.5024 3.5024 12.1821 12.1821 14.3294 14.3294 14.7721 14.7721 15.4029 15.4029 k = 0.6125-0.0650 0.4287 ( 1872 PWs) bands (ev): -26.1858 -26.1858 -15.9553 -15.9553 -15.7684 -15.7684 -9.0023 -9.0023 -8.0050 -8.0050 -7.7152 -7.7152 1.7319 1.7319 2.4708 2.4708 2.7243 2.7243 3.0390 3.0390 3.3487 3.3487 3.5021 3.5021 12.1829 12.1829 14.3327 14.3327 14.7699 14.7699 15.3930 15.3930 k = 0.6062-0.0613 0.4389 ( 1868 PWs) bands (ev): -26.1857 -26.1857 -15.9541 -15.9541 -15.7699 -15.7699 -9.0022 -9.0022 -8.0039 -8.0039 -7.7164 -7.7164 1.7347 1.7347 2.4617 2.4617 2.7318 2.7318 3.0383 3.0383 3.3494 3.3494 3.5018 3.5018 12.1843 12.1843 14.3381 14.3381 14.7662 14.7662 15.3769 15.3769 k = 0.6000-0.0577 0.4491 ( 1873 PWs) bands (ev): -26.1857 -26.1857 -15.9524 -15.9524 -15.7720 -15.7720 -9.0020 -9.0020 -8.0024 -8.0024 -7.7180 -7.7180 1.7386 1.7386 2.4497 2.4497 2.7415 2.7415 3.0373 3.0373 3.3502 3.3502 3.5012 3.5012 12.1861 12.1861 14.3458 14.3458 14.7612 14.7612 15.3552 15.3552 k = 0.5938-0.0541 0.4593 ( 1873 PWs) bands (ev): -26.1856 -26.1856 -15.9503 -15.9503 -15.7747 -15.7747 -9.0018 -9.0018 -8.0005 -8.0005 -7.7201 -7.7201 1.7435 1.7435 2.4357 2.4357 2.7527 2.7527 3.0361 3.0361 3.3512 3.3512 3.5006 3.5006 12.1884 12.1884 14.3556 14.3556 14.7550 14.7550 15.3283 15.3283 k = 0.5875-0.0505 0.4695 ( 1873 PWs) bands (ev): -26.1854 -26.1854 -15.9477 -15.9477 -15.7780 -15.7780 -9.0016 -9.0016 -7.9983 -7.9983 -7.7225 -7.7225 1.7494 1.7494 2.4202 2.4202 2.7650 2.7650 3.0345 3.0345 3.3523 3.3523 3.5001 3.5001 12.1910 12.1910 14.3676 14.3676 14.7478 14.7478 15.2971 15.2971 k = 0.5813-0.0469 0.4797 ( 1871 PWs) bands (ev): -26.1853 -26.1853 -15.9446 -15.9446 -15.7818 -15.7818 -9.0013 -9.0013 -7.9958 -7.9958 -7.7253 -7.7253 1.7561 1.7561 2.4036 2.4036 2.7780 2.7780 3.0326 3.0326 3.3533 3.3533 3.4995 3.4995 12.1939 12.1939 14.3816 14.3816 14.7397 14.7397 15.2622 15.2622 k = 0.5750-0.0433 0.4899 ( 1877 PWs) bands (ev): -26.1852 -26.1852 -15.9411 -15.9411 -15.7861 -15.7861 -9.0011 -9.0011 -7.9930 -7.9930 -7.7284 -7.7284 1.7636 1.7636 2.3863 2.3863 2.7914 2.7914 3.0302 3.0302 3.3543 3.3543 3.4991 3.4991 12.1971 12.1971 14.3977 14.3977 14.7311 14.7311 15.2243 15.2243 k = 0.5687-0.0397 0.5001 ( 1877 PWs) bands (ev): -26.1850 -26.1850 -15.9372 -15.9372 -15.7909 -15.7909 -9.0008 -9.0008 -7.9900 -7.9900 -7.7317 -7.7317 1.7717 1.7717 2.3688 2.3688 2.8050 2.8050 3.0275 3.0275 3.3552 3.3552 3.4989 3.4989 12.2003 12.2003 14.4158 14.4158 14.7221 14.7221 15.1842 15.1842 k = 0.5625-0.0361 0.5103 ( 1869 PWs) bands (ev): -26.1848 -26.1848 -15.9328 -15.9328 -15.7962 -15.7962 -9.0004 -9.0004 -7.9868 -7.9868 -7.7351 -7.7351 1.7803 1.7803 2.3514 2.3514 2.8186 2.8186 3.0243 3.0243 3.3558 3.3558 3.4989 3.4989 12.2037 12.2037 14.4359 14.4359 14.7130 14.7130 15.1424 15.1424 k = 0.5563-0.0325 0.5205 ( 1875 PWs) bands (ev): -26.1847 -26.1847 -15.9280 -15.9280 -15.8020 -15.8020 -9.0001 -9.0001 -7.9836 -7.9836 -7.7387 -7.7387 1.7892 1.7892 2.3342 2.3342 2.8321 2.8321 3.0206 3.0206 3.3562 3.3562 3.4991 3.4991 12.2069 12.2069 14.4578 14.4578 14.7039 14.7039 15.0995 15.0995 k = 0.5500-0.0289 0.5307 ( 1876 PWs) bands (ev): -26.1845 -26.1845 -15.9228 -15.9228 -15.8081 -15.8081 -8.9998 -8.9998 -7.9803 -7.9803 -7.7423 -7.7423 1.7982 1.7982 2.3178 2.3178 2.8455 2.8455 3.0163 3.0163 3.3563 3.3563 3.4997 3.4997 12.2100 12.2100 14.4815 14.4815 14.6953 14.6953 15.0560 15.0560 k = 0.5437-0.0253 0.5409 ( 1876 PWs) bands (ev): -26.1843 -26.1843 -15.9173 -15.9173 -15.8146 -15.8146 -8.9995 -8.9995 -7.9771 -7.9771 -7.7457 -7.7457 1.8071 1.8071 2.3023 2.3023 2.8586 2.8586 3.0115 3.0115 3.3562 3.3562 3.5005 3.5005 12.2129 12.2129 14.5067 14.5067 14.6872 14.6872 15.0124 15.0124 k = 0.5375-0.0217 0.5511 ( 1878 PWs) bands (ev): -26.1842 -26.1842 -15.9113 -15.9113 -15.8214 -15.8214 -8.9992 -8.9992 -7.9741 -7.9741 -7.7491 -7.7491 1.8155 1.8155 2.2881 2.2881 2.8714 2.8714 3.0059 3.0059 3.3558 3.3558 3.5015 3.5015 12.2155 12.2155 14.5333 14.5333 14.6802 14.6802 14.9692 14.9692 k = 0.5312-0.0180 0.5613 ( 1876 PWs) bands (ev): -26.1840 -26.1840 -15.9050 -15.9050 -15.8285 -15.8285 -8.9990 -8.9990 -7.9713 -7.9713 -7.7521 -7.7521 1.8233 1.8233 2.2754 2.2754 2.8839 2.8839 2.9997 2.9997 3.3553 3.3553 3.5026 3.5026 12.2178 12.2178 14.5608 14.5608 14.6745 14.6745 14.9266 14.9266 k = 0.5250-0.0144 0.5715 ( 1876 PWs) bands (ev): -26.1839 -26.1839 -15.8984 -15.8984 -15.8359 -15.8359 -8.9987 -8.9987 -7.9689 -7.9689 -7.7548 -7.7548 1.8301 1.8301 2.2647 2.2647 2.8959 2.8959 2.9928 2.9928 3.3547 3.3547 3.5039 3.5039 12.2197 12.2197 14.5884 14.5884 14.6710 14.6710 14.8851 14.8851 k = 0.5188-0.0108 0.5818 ( 1876 PWs) bands (ev): -26.1838 -26.1838 -15.8915 -15.8915 -15.8434 -15.8434 -8.9985 -8.9985 -7.9669 -7.9669 -7.7569 -7.7569 1.8356 1.8356 2.2560 2.2560 2.9074 2.9074 2.9855 2.9855 3.3540 3.3540 3.5050 3.5050 12.2211 12.2211 14.6137 14.6137 14.6720 14.6720 14.8450 14.8450 k = 0.5125-0.0072 0.5920 ( 1876 PWs) bands (ev): -26.1837 -26.1837 -15.8844 -15.8844 -15.8509 -15.8509 -8.9984 -8.9984 -7.9654 -7.9654 -7.7586 -7.7586 1.8398 1.8398 2.2497 2.2497 2.9178 2.9178 2.9779 2.9779 3.3535 3.3535 3.5060 3.5060 12.2221 12.2221 14.6312 14.6312 14.6829 14.6829 14.8067 14.8067 k = 0.5062-0.0036 0.6022 ( 1888 PWs) bands (ev): -26.1837 -26.1837 -15.8775 -15.8775 -15.8581 -15.8581 -8.9983 -8.9983 -7.9644 -7.9644 -7.7596 -7.7596 1.8422 1.8422 2.2459 2.2459 2.9261 2.9261 2.9713 2.9713 3.3531 3.3531 3.5067 3.5067 12.2227 12.2227 14.6379 14.6379 14.7061 14.7061 14.7707 14.7707 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -26.1837 -26.1837 -15.8733 -15.8733 -15.8624 -15.8624 -8.9983 -8.9983 -7.9641 -7.9641 -7.7600 -7.7600 1.8431 1.8431 2.2447 2.2447 2.9297 2.9297 2.9682 2.9682 3.3529 3.3529 3.5069 3.5069 12.2229 12.2229 14.6393 14.6393 14.7303 14.7303 14.7431 14.7431 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): -26.1837 -26.1837 -15.8733 -15.8733 -15.8624 -15.8624 -8.9983 -8.9983 -7.9641 -7.9641 -7.7600 -7.7600 1.8431 1.8431 2.2447 2.2447 2.9297 2.9297 2.9682 2.9682 3.3529 3.3529 3.5069 3.5069 12.2229 12.2229 14.6393 14.6393 14.7303 14.7303 14.7431 14.7431 k = 0.5000 0.0074 0.6019 ( 1884 PWs) bands (ev): -26.1837 -26.1837 -15.8732 -15.8732 -15.8624 -15.8624 -8.9982 -8.9982 -7.9640 -7.9640 -7.7601 -7.7601 1.8440 1.8440 2.2446 2.2446 2.9291 2.9291 2.9675 2.9675 3.3536 3.3536 3.5060 3.5060 12.2239 12.2239 14.6383 14.6383 14.7305 14.7305 14.7433 14.7433 k = 0.5000 0.0148 0.5914 ( 1880 PWs) bands (ev): -26.1838 -26.1838 -15.8730 -15.8730 -15.8621 -15.8621 -8.9980 -8.9980 -7.9637 -7.9637 -7.7605 -7.7605 1.8467 1.8467 2.2444 2.2444 2.9270 2.9270 2.9657 2.9657 3.3555 3.3555 3.5032 3.5032 12.2267 12.2267 14.6352 14.6352 14.7302 14.7302 14.7449 14.7449 k = 0.5000 0.0222 0.5810 ( 1876 PWs) bands (ev): -26.1840 -26.1840 -15.8727 -15.8727 -15.8615 -15.8615 -8.9976 -8.9976 -7.9631 -7.9631 -7.7612 -7.7612 1.8512 1.8512 2.2440 2.2440 2.9227 2.9227 2.9638 2.9638 3.3585 3.3585 3.4985 3.4985 12.2315 12.2315 14.6300 14.6300 14.7276 14.7276 14.7497 14.7497 k = 0.5000 0.0296 0.5705 ( 1878 PWs) bands (ev): -26.1843 -26.1843 -15.8726 -15.8726 -15.8605 -15.8605 -8.9972 -8.9972 -7.9623 -7.9623 -7.7621 -7.7621 1.8575 1.8575 2.2435 2.2435 2.9152 2.9152 2.9628 2.9628 3.3624 3.3624 3.4920 3.4920 12.2381 12.2381 14.6224 14.6224 14.7226 14.7226 14.7579 14.7579 k = 0.5000 0.0370 0.5600 ( 1878 PWs) bands (ev): -26.1847 -26.1847 -15.8727 -15.8727 -15.8589 -15.8589 -8.9966 -8.9966 -7.9613 -7.9613 -7.7633 -7.7633 1.8655 1.8655 2.2428 2.2428 2.9042 2.9042 2.9633 2.9633 3.3670 3.3670 3.4837 3.4837 12.2468 12.2468 14.6126 14.6126 14.7155 14.7155 14.7691 14.7691 k = 0.5000 0.0444 0.5496 ( 1876 PWs) bands (ev): -26.1851 -26.1851 -15.8731 -15.8731 -15.8567 -15.8567 -8.9959 -8.9959 -7.9601 -7.9601 -7.7648 -7.7648 1.8753 1.8753 2.2421 2.2421 2.8902 2.8902 2.9652 2.9652 3.3719 3.3719 3.4736 3.4736 12.2575 12.2575 14.6006 14.6006 14.7066 14.7066 14.7831 14.7831 k = 0.5000 0.0518 0.5391 ( 1874 PWs) bands (ev): -26.1856 -26.1856 -15.8738 -15.8738 -15.8539 -15.8539 -8.9950 -8.9950 -7.9587 -7.9587 -7.7664 -7.7664 1.8867 1.8867 2.2413 2.2413 2.8736 2.8736 2.9683 2.9683 3.3769 3.3769 3.4619 3.4619 12.2703 12.2703 14.5865 14.5865 14.6961 14.6961 14.7996 14.7996 k = 0.5000 0.0592 0.5286 ( 1868 PWs) bands (ev): -26.1862 -26.1862 -15.8748 -15.8748 -15.8506 -15.8506 -8.9941 -8.9941 -7.9571 -7.9571 -7.7682 -7.7682 1.8999 1.8999 2.2405 2.2405 2.8549 2.8549 2.9723 2.9723 3.3817 3.3817 3.4485 3.4485 12.2853 12.2853 14.5704 14.5704 14.6839 14.6839 14.8182 14.8182 k = 0.5000 0.0666 0.5182 ( 1868 PWs) bands (ev): -26.1868 -26.1868 -15.8760 -15.8760 -15.8467 -15.8467 -8.9932 -8.9932 -7.9553 -7.9553 -7.7702 -7.7702 1.9146 1.9146 2.2397 2.2397 2.8346 2.8346 2.9770 2.9770 3.3861 3.3861 3.4336 3.4336 12.3024 12.3024 14.5524 14.5524 14.6701 14.6701 14.8388 14.8388 k = 0.5000 0.0740 0.5077 ( 1870 PWs) bands (ev): -26.1875 -26.1875 -15.8774 -15.8774 -15.8424 -15.8424 -8.9922 -8.9922 -7.9534 -7.9534 -7.7723 -7.7723 1.9308 1.9308 2.2388 2.2388 2.8129 2.8129 2.9824 2.9824 3.3897 3.3897 3.4175 3.4175 12.3219 12.3219 14.5328 14.5328 14.6549 14.6549 14.8610 14.8610 k = 0.5000 0.0814 0.4972 ( 1868 PWs) bands (ev): -26.1883 -26.1883 -15.8790 -15.8790 -15.8377 -15.8377 -8.9911 -8.9911 -7.9514 -7.9514 -7.7745 -7.7745 1.9486 1.9486 2.2381 2.2381 2.7902 2.7902 2.9882 2.9882 3.3909 3.3909 3.4017 3.4017 12.3437 12.3437 14.5118 14.5118 14.6381 14.6381 14.8845 14.8845 k = 0.5000 0.0888 0.4868 ( 1868 PWs) bands (ev): -26.1891 -26.1891 -15.8807 -15.8807 -15.8326 -15.8326 -8.9901 -8.9901 -7.9492 -7.9492 -7.7768 -7.7768 1.9678 1.9678 2.2375 2.2375 2.7668 2.7668 2.9945 2.9945 3.3784 3.3784 3.3975 3.3975 12.3680 12.3680 14.4896 14.4896 14.6200 14.6200 14.9090 14.9090 k = 0.5000 0.0962 0.4763 ( 1866 PWs) bands (ev): -26.1900 -26.1900 -15.8825 -15.8825 -15.8272 -15.8272 -8.9890 -8.9890 -7.9470 -7.9470 -7.7791 -7.7791 1.9884 1.9884 2.2370 2.2370 2.7428 2.7428 3.0011 3.0011 3.3587 3.3587 3.3983 3.3983 12.3948 12.3948 14.4663 14.4663 14.6006 14.6006 14.9339 14.9339 k = 0.5000 0.1036 0.4658 ( 1874 PWs) bands (ev): -26.1909 -26.1909 -15.8845 -15.8845 -15.8215 -15.8215 -8.9880 -8.9880 -7.9448 -7.9448 -7.7813 -7.7813 2.0102 2.0102 2.2366 2.2366 2.7184 2.7184 3.0079 3.0079 3.3375 3.3375 3.3985 3.3985 12.4242 12.4242 14.4421 14.4421 14.5799 14.5799 14.9589 14.9589 k = 0.5000 0.1110 0.4554 ( 1876 PWs) bands (ev): -26.1919 -26.1919 -15.8865 -15.8865 -15.8156 -15.8156 -8.9869 -8.9869 -7.9425 -7.9425 -7.7835 -7.7835 2.0332 2.0332 2.2365 2.2365 2.6938 2.6938 3.0149 3.0149 3.3153 3.3153 3.3977 3.3977 12.4562 12.4562 14.4173 14.4173 14.5582 14.5582 14.9836 14.9836 k = 0.5000 0.1184 0.4449 ( 1874 PWs) bands (ev): -26.1928 -26.1928 -15.8886 -15.8886 -15.8095 -15.8095 -8.9860 -8.9860 -7.9403 -7.9403 -7.7855 -7.7855 2.0573 2.0573 2.2366 2.2366 2.6692 2.6692 3.0220 3.0220 3.2923 3.2923 3.3959 3.3959 12.4910 12.4910 14.3921 14.3921 14.5354 14.5354 15.0072 15.0072 k = 0.5000 0.1258 0.4344 ( 1876 PWs) bands (ev): -26.1938 -26.1938 -15.8908 -15.8908 -15.8032 -15.8032 -8.9851 -8.9851 -7.9381 -7.9381 -7.7874 -7.7874 2.0824 2.0824 2.2370 2.2370 2.6448 2.6448 3.0291 3.0291 3.2686 3.2686 3.3929 3.3929 12.5285 12.5285 14.3666 14.3666 14.5118 14.5118 15.0293 15.0293 k = 0.5000 0.1332 0.4240 ( 1874 PWs) bands (ev): -26.1948 -26.1948 -15.8930 -15.8930 -15.7967 -15.7967 -8.9842 -8.9842 -7.9360 -7.9360 -7.7891 -7.7891 2.1082 2.1082 2.2378 2.2378 2.6207 2.6207 3.0360 3.0360 3.2445 3.2445 3.3887 3.3887 12.5689 12.5689 14.3410 14.3410 14.4875 14.4875 15.0492 15.0492 k = 0.5000 0.1406 0.4135 ( 1868 PWs) bands (ev): -26.1958 -26.1958 -15.8952 -15.8952 -15.7902 -15.7902 -8.9835 -8.9835 -7.9341 -7.9341 -7.7905 -7.7905 2.1347 2.1347 2.2390 2.2390 2.5971 2.5971 3.0427 3.0427 3.2202 3.2202 3.3833 3.3833 12.6121 12.6121 14.3156 14.3156 14.4626 14.4626 15.0660 15.0660 k = 0.5000 0.1480 0.4030 ( 1868 PWs) bands (ev): -26.1969 -26.1969 -15.8975 -15.8975 -15.7837 -15.7837 -8.9828 -8.9828 -7.9324 -7.9324 -7.7916 -7.7916 2.1614 2.1614 2.2407 2.2407 2.5742 2.5742 3.0488 3.0488 3.1960 3.1960 3.3768 3.3768 12.6583 12.6583 14.2904 14.2904 14.4374 14.4374 15.0789 15.0789 k = 0.5000 0.1554 0.3925 ( 1874 PWs) bands (ev): -26.1979 -26.1979 -15.8997 -15.8997 -15.7772 -15.7772 -8.9823 -8.9823 -7.9309 -7.9309 -7.7924 -7.7924 2.1881 2.1881 2.2433 2.2433 2.5522 2.5522 3.0541 3.0541 3.1724 3.1724 3.3690 3.3690 12.7073 12.7073 14.2657 14.2657 14.4120 14.4120 15.0871 15.0871 k = 0.5000 0.1628 0.3821 ( 1874 PWs) bands (ev): -26.1989 -26.1989 -15.9019 -15.9019 -15.7707 -15.7707 -8.9818 -8.9818 -7.9297 -7.9297 -7.7928 -7.7928 2.2132 2.2132 2.2477 2.2477 2.5314 2.5314 3.0576 3.0576 3.1502 3.1502 3.3601 3.3601 12.7593 12.7593 14.2415 14.2415 14.3867 14.3867 15.0896 15.0896 k = 0.5000 0.1702 0.3716 ( 1874 PWs) bands (ev): -26.1999 -26.1999 -15.9041 -15.9041 -15.7643 -15.7643 -8.9814 -8.9814 -7.9287 -7.9287 -7.7929 -7.7929 2.2322 2.2322 2.2582 2.2582 2.5121 2.5121 3.0578 3.0578 3.1313 3.1313 3.3502 3.3502 12.8142 12.8142 14.2180 14.2180 14.3615 14.3615 15.0853 15.0853 k = 0.5000 0.1776 0.3611 ( 1878 PWs) bands (ev): -26.2009 -26.2009 -15.9062 -15.9062 -15.7580 -15.7580 -8.9811 -8.9811 -7.9280 -7.9280 -7.7927 -7.7927 2.2412 2.2412 2.2782 2.2782 2.4950 2.4950 3.0521 3.0521 3.1182 3.1182 3.3392 3.3392 12.8720 12.8720 14.1954 14.1954 14.3367 14.3367 15.0734 15.0734 k = 0.5000 0.1850 0.3507 ( 1874 PWs) bands (ev): -26.2018 -26.2018 -15.9083 -15.9083 -15.7520 -15.7520 -8.9809 -8.9809 -7.9275 -7.9275 -7.7922 -7.7922 2.2461 2.2461 2.3007 2.3007 2.4808 2.4808 3.0392 3.0392 3.1125 3.1125 3.3273 3.3273 12.9328 12.9328 14.1737 14.1737 14.3125 14.3125 15.0531 15.0531 k = 0.5000 0.1925 0.3402 ( 1880 PWs) bands (ev): -26.2027 -26.2027 -15.9103 -15.9103 -15.7461 -15.7461 -8.9808 -8.9808 -7.9273 -7.9273 -7.7914 -7.7914 2.2499 2.2499 2.3209 2.3209 2.4713 2.4713 3.0211 3.0211 3.1119 3.1119 3.3146 3.3146 12.9964 12.9964 14.1530 14.1530 14.2891 14.2891 15.0238 15.0238 k = 0.5000 0.1999 0.3297 ( 1874 PWs) bands (ev): -26.2036 -26.2036 -15.9121 -15.9121 -15.7405 -15.7405 -8.9807 -8.9807 -7.9273 -7.9273 -7.7903 -7.7903 2.2537 2.2537 2.3357 2.3357 2.4684 2.4684 3.0009 3.0009 3.1138 3.1138 3.3013 3.3013 13.0629 13.0629 14.1335 14.1335 14.2667 14.2667 14.9852 14.9852 k = 0.5000 0.2073 0.3193 ( 1876 PWs) bands (ev): -26.2044 -26.2044 -15.9139 -15.9139 -15.7352 -15.7352 -8.9807 -8.9807 -7.9275 -7.9275 -7.7891 -7.7891 2.2573 2.2573 2.3431 2.3431 2.4741 2.4741 2.9802 2.9802 3.1166 3.1166 3.2874 3.2874 13.1321 13.1321 14.1152 14.1152 14.2454 14.2454 14.9374 14.9374 k = 0.5000 0.2147 0.3088 ( 1876 PWs) bands (ev): -26.2051 -26.2051 -15.9156 -15.9156 -15.7302 -15.7302 -8.9807 -8.9807 -7.9278 -7.9278 -7.7877 -7.7877 2.2609 2.2609 2.3434 2.3434 2.4878 2.4878 2.9598 2.9598 3.1195 3.1195 3.2734 3.2734 13.2041 13.2041 14.0983 14.0983 14.2254 14.2254 14.8811 14.8811 k = 0.5000 0.2221 0.2983 ( 1880 PWs) bands (ev): -26.2059 -26.2059 -15.9171 -15.9171 -15.7256 -15.7256 -8.9808 -8.9808 -7.9283 -7.9283 -7.7863 -7.7863 2.2644 2.2644 2.3391 2.3391 2.5066 2.5066 2.9403 2.9403 3.1219 3.1219 3.2593 3.2593 13.2787 13.2787 14.0827 14.0827 14.2068 14.2068 14.8168 14.8168 k = 0.5000 0.2295 0.2879 ( 1878 PWs) bands (ev): -26.2065 -26.2065 -15.9185 -15.9185 -15.7214 -15.7214 -8.9810 -8.9810 -7.9288 -7.9288 -7.7848 -7.7848 2.2677 2.2677 2.3328 2.3328 2.5279 2.5279 2.9219 2.9219 3.1238 3.1238 3.2457 3.2457 13.3558 13.3558 14.0685 14.0685 14.1899 14.1899 14.7456 14.7456 k = 0.5000 0.2369 0.2774 ( 1880 PWs) bands (ev): -26.2071 -26.2071 -15.9198 -15.9198 -15.7176 -15.7176 -8.9811 -8.9811 -7.9293 -7.9293 -7.7833 -7.7833 2.2706 2.2706 2.3260 2.3260 2.5499 2.5499 2.9050 2.9050 3.1247 3.1247 3.2329 3.2329 13.4353 13.4353 14.0559 14.0559 14.1746 14.1746 14.6687 14.6687 k = 0.5000 0.2443 0.2669 ( 1882 PWs) bands (ev): -26.2076 -26.2076 -15.9209 -15.9209 -15.7143 -15.7143 -8.9812 -8.9812 -7.9299 -7.9299 -7.7820 -7.7820 2.2729 2.2729 2.3199 2.3199 2.5712 2.5712 2.8898 2.8898 3.1245 3.1245 3.2215 3.2215 13.5171 13.5171 14.0449 14.0449 14.1612 14.1612 14.5870 14.5870 k = 0.5000 0.2517 0.2565 ( 1880 PWs) bands (ev): -26.2080 -26.2080 -15.9219 -15.9219 -15.7114 -15.7114 -8.9814 -8.9814 -7.9304 -7.9304 -7.7807 -7.7807 2.2745 2.2745 2.3148 2.3148 2.5911 2.5911 2.8765 2.8765 3.1230 3.1230 3.2118 3.2118 13.6009 13.6009 14.0354 14.0354 14.1496 14.1496 14.5018 14.5018 k = 0.5000 0.2591 0.2460 ( 1888 PWs) bands (ev): -26.2084 -26.2084 -15.9227 -15.9227 -15.7091 -15.7091 -8.9815 -8.9815 -7.9308 -7.9308 -7.7797 -7.7797 2.2751 2.2751 2.3112 2.3112 2.6086 2.6086 2.8653 2.8653 3.1205 3.1205 3.2042 3.2042 13.6866 13.6866 14.0276 14.0276 14.1400 14.1400 14.4140 14.4140 k = 0.5000 0.2665 0.2355 ( 1892 PWs) bands (ev): -26.2087 -26.2087 -15.9233 -15.9233 -15.7072 -15.7072 -8.9816 -8.9816 -7.9312 -7.9312 -7.7788 -7.7788 2.2750 2.2750 2.3090 2.3090 2.6231 2.6231 2.8563 2.8563 3.1175 3.1175 3.1988 3.1988 13.7738 13.7738 14.0215 14.0215 14.1325 14.1325 14.3245 14.3245 k = 0.5000 0.2739 0.2251 ( 1892 PWs) bands (ev): -26.2089 -26.2089 -15.9237 -15.9237 -15.7059 -15.7059 -8.9817 -8.9817 -7.9315 -7.9315 -7.7782 -7.7782 2.2745 2.2745 2.3079 2.3079 2.6341 2.6341 2.8499 2.8499 3.1145 3.1145 3.1952 3.1952 13.8620 13.8620 14.0172 14.0172 14.1267 14.1267 14.2346 14.2346 k = 0.5000 0.2813 0.2146 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9240 -15.9240 -15.7051 -15.7051 -8.9818 -8.9818 -7.9317 -7.9317 -7.7778 -7.7778 2.2741 2.2741 2.3074 2.3074 2.6409 2.6409 2.8459 2.8459 3.1123 3.1123 3.1932 3.1932 13.9493 13.9493 14.0147 14.0147 14.1202 14.1202 14.1490 14.1490 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9241 -15.9241 -15.7048 -15.7048 -8.9818 -8.9818 -7.9317 -7.9317 -7.7777 -7.7777 2.2739 2.2739 2.3073 2.3073 2.6432 2.6432 2.8446 2.8446 3.1115 3.1115 3.1926 3.1926 14.0083 14.0083 14.0192 14.0192 14.0770 14.0770 14.1264 14.1264 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9241 -15.9241 -15.7048 -15.7048 -8.9818 -8.9818 -7.9317 -7.9317 -7.7777 -7.7777 2.2739 2.2739 2.3073 2.3073 2.6432 2.6432 2.8446 2.8446 3.1115 3.1115 3.1926 3.1926 14.0083 14.0083 14.0192 14.0192 14.0770 14.0770 14.1264 14.1264 k = 0.4963 0.2866 0.2161 ( 1892 PWs) bands (ev): -26.2090 -26.2090 -15.9240 -15.9240 -15.7051 -15.7051 -8.9818 -8.9818 -7.9317 -7.9317 -7.7778 -7.7778 2.2741 2.2741 2.3074 2.3074 2.6409 2.6409 2.8459 2.8459 3.1123 3.1123 3.1932 3.1932 13.9499 13.9499 14.0147 14.0147 14.1201 14.1201 14.1485 14.1485 k = 0.4926 0.2844 0.2281 ( 1892 PWs) bands (ev): -26.2089 -26.2089 -15.9237 -15.9237 -15.7059 -15.7059 -8.9817 -8.9817 -7.9315 -7.9315 -7.7782 -7.7782 2.2745 2.2745 2.3079 2.3079 2.6342 2.6342 2.8498 2.8498 3.1144 3.1144 3.1952 3.1952 13.8632 13.8632 14.0172 14.0172 14.1267 14.1267 14.2334 14.2334 k = 0.4890 0.2823 0.2401 ( 1889 PWs) bands (ev): -26.2087 -26.2087 -15.9233 -15.9233 -15.7072 -15.7072 -8.9816 -8.9816 -7.9312 -7.9312 -7.7788 -7.7788 2.2750 2.2750 2.3090 2.3090 2.6234 2.6234 2.8562 2.8562 3.1174 3.1174 3.1987 3.1987 13.7756 13.7756 14.0215 14.0215 14.1323 14.1323 14.3227 14.3227 k = 0.4853 0.2802 0.2522 ( 1887 PWs) bands (ev): -26.2084 -26.2084 -15.9227 -15.9227 -15.7090 -15.7090 -8.9815 -8.9815 -7.9308 -7.9308 -7.7797 -7.7797 2.2750 2.2750 2.3113 2.3113 2.6090 2.6090 2.8650 2.8650 3.1205 3.1205 3.2041 3.2041 13.6889 13.6889 14.0275 14.0275 14.1398 14.1398 14.4116 14.4116 k = 0.4816 0.2781 0.2642 ( 1883 PWs) bands (ev): -26.2080 -26.2080 -15.9219 -15.9219 -15.7114 -15.7114 -8.9814 -8.9814 -7.9304 -7.9304 -7.7807 -7.7807 2.2742 2.2742 2.3150 2.3150 2.5916 2.5916 2.8761 2.8761 3.1229 3.1229 3.2116 3.2116 13.6037 13.6037 14.0352 14.0352 14.1493 14.1493 14.4989 14.4989 k = 0.4779 0.2759 0.2762 ( 1883 PWs) bands (ev): -26.2076 -26.2076 -15.9210 -15.9210 -15.7142 -15.7142 -8.9812 -8.9812 -7.9299 -7.9299 -7.7819 -7.7819 2.2722 2.2722 2.3206 2.3206 2.5719 2.5719 2.8893 2.8893 3.1243 3.1243 3.2212 3.2212 13.5202 13.5202 14.0447 14.0447 14.1606 14.1606 14.5837 14.5837 k = 0.4743 0.2738 0.2882 ( 1882 PWs) bands (ev): -26.2071 -26.2071 -15.9199 -15.9199 -15.7175 -15.7175 -8.9811 -8.9811 -7.9294 -7.9294 -7.7833 -7.7833 2.2691 2.2691 2.3279 2.3279 2.5504 2.5504 2.9044 2.9044 3.1244 3.1244 3.2325 3.2325 13.4388 13.4388 14.0557 14.0557 14.1739 14.1739 14.6650 14.6650 k = 0.4706 0.2717 0.3002 ( 1880 PWs) bands (ev): -26.2065 -26.2065 -15.9186 -15.9186 -15.7212 -15.7212 -8.9810 -8.9810 -7.9289 -7.9289 -7.7847 -7.7847 2.2647 2.2647 2.3368 2.3368 2.5278 2.5278 2.9213 2.9213 3.1233 3.1233 3.2453 3.2453 13.3595 13.3595 14.0685 14.0685 14.1889 14.1889 14.7418 14.7418 k = 0.4669 0.2696 0.3122 ( 1878 PWs) bands (ev): -26.2059 -26.2059 -15.9173 -15.9173 -15.7253 -15.7253 -8.9808 -8.9808 -7.9284 -7.9284 -7.7861 -7.7861 2.2591 2.2591 2.3472 2.3472 2.5048 2.5048 2.9398 2.9398 3.1211 3.1211 3.2590 3.2590 13.2825 13.2825 14.0828 14.0828 14.2056 14.2056 14.8131 14.8131 k = 0.4632 0.2674 0.3242 ( 1876 PWs) bands (ev): -26.2052 -26.2052 -15.9158 -15.9158 -15.7299 -15.7299 -8.9808 -8.9808 -7.9280 -7.9280 -7.7874 -7.7874 2.2521 2.2521 2.3588 2.3588 2.4820 2.4820 2.9597 2.9597 3.1179 3.1179 3.2732 3.2732 13.2079 13.2079 14.0986 14.0986 14.2237 14.2237 14.8778 14.8778 k = 0.4596 0.2653 0.3362 ( 1878 PWs) bands (ev): -26.2044 -26.2044 -15.9142 -15.9142 -15.7347 -15.7347 -8.9807 -8.9807 -7.9278 -7.9278 -7.7887 -7.7887 2.2433 2.2433 2.3716 2.3716 2.4604 2.4604 2.9808 2.9808 3.1140 3.1140 3.2876 3.2876 13.1358 13.1358 14.1160 14.1160 14.2432 14.2432 14.9353 14.9353 k = 0.4559 0.2632 0.3482 ( 1875 PWs) bands (ev): -26.2036 -26.2036 -15.9125 -15.9125 -15.7399 -15.7399 -8.9807 -8.9807 -7.9279 -7.9279 -7.7897 -7.7897 2.2324 2.2324 2.3852 2.3852 2.4410 2.4410 3.0029 3.0029 3.1094 3.1094 3.3018 3.3018 13.0662 13.0662 14.1348 14.1348 14.2638 14.2638 14.9848 14.9848 k = 0.4522 0.2611 0.3602 ( 1877 PWs) bands (ev): -26.2028 -26.2028 -15.9108 -15.9108 -15.7452 -15.7452 -8.9808 -8.9808 -7.9281 -7.9281 -7.7905 -7.7905 2.2190 2.2190 2.3979 2.3979 2.4259 2.4259 3.0258 3.0258 3.1042 3.1042 3.3157 3.3157 12.9992 12.9992 14.1551 14.1551 14.2852 14.2852 15.0262 15.0262 k = 0.4485 0.2590 0.3722 ( 1875 PWs) bands (ev): -26.2019 -26.2019 -15.9090 -15.9090 -15.7508 -15.7508 -8.9809 -8.9809 -7.9288 -7.9288 -7.7909 -7.7909 2.2027 2.2027 2.4004 2.4004 2.4249 2.4249 3.0492 3.0492 3.0986 3.0986 3.3292 3.3292 12.9348 12.9348 14.1767 14.1767 14.3071 14.3071 15.0596 15.0596 k = 0.4449 0.2568 0.3842 ( 1873 PWs) bands (ev): -26.2010 -26.2010 -15.9073 -15.9073 -15.7565 -15.7565 -8.9811 -8.9811 -7.9298 -7.9298 -7.7909 -7.7909 2.1835 2.1835 2.3923 2.3923 2.4388 2.4388 3.0724 3.0724 3.0932 3.0932 3.3420 3.3420 12.8731 12.8731 14.1996 14.1996 14.3292 14.3292 15.0854 15.0854 k = 0.4412 0.2547 0.3962 ( 1873 PWs) bands (ev): -26.2000 -26.2000 -15.9056 -15.9056 -15.7622 -15.7622 -8.9814 -8.9814 -7.9312 -7.9312 -7.7903 -7.7903 2.1617 2.1617 2.3848 2.3848 2.4560 2.4560 3.0830 3.0830 3.1002 3.1002 3.3542 3.3542 12.8141 12.8141 14.2236 14.2236 14.3510 14.3510 15.1047 15.1047 k = 0.4375 0.2526 0.4082 ( 1868 PWs) bands (ev): -26.1990 -26.1990 -15.9041 -15.9041 -15.7679 -15.7679 -8.9818 -8.9818 -7.9331 -7.9331 -7.7893 -7.7893 2.1377 2.1377 2.3798 2.3798 2.4745 2.4745 3.0772 3.0772 3.1234 3.1234 3.3656 3.3656 12.7577 12.7577 14.2488 14.2488 14.3722 14.3722 15.1186 15.1186 k = 0.4338 0.2505 0.4203 ( 1869 PWs) bands (ev): -26.1980 -26.1980 -15.9028 -15.9028 -15.7733 -15.7733 -8.9823 -8.9823 -7.9354 -7.9354 -7.7877 -7.7877 2.1120 2.1120 2.3771 2.3771 2.4937 2.4937 3.0701 3.0701 3.1475 3.1475 3.3763 3.3763 12.7039 12.7039 14.2750 14.2750 14.3921 14.3921 15.1285 15.1285 k = 0.4301 0.2483 0.4323 ( 1871 PWs) bands (ev): -26.1970 -26.1970 -15.9018 -15.9018 -15.7785 -15.7785 -8.9829 -8.9829 -7.9382 -7.9382 -7.7856 -7.7856 2.0851 2.0851 2.3766 2.3766 2.5135 2.5135 3.0627 3.0627 3.1714 3.1714 3.3862 3.3862 12.6529 12.6529 14.3020 14.3020 14.4103 14.4103 15.1357 15.1357 k = 0.4265 0.2462 0.4443 ( 1871 PWs) bands (ev): -26.1960 -26.1960 -15.9012 -15.9012 -15.7833 -15.7833 -8.9837 -8.9837 -7.9414 -7.9414 -7.7829 -7.7829 2.0575 2.0575 2.3778 2.3778 2.5337 2.5337 3.0550 3.0550 3.1948 3.1948 3.3955 3.3955 12.6044 12.6044 14.3296 14.3296 14.4263 14.4263 15.1416 15.1416 k = 0.4228 0.2441 0.4563 ( 1869 PWs) bands (ev): -26.1950 -26.1950 -15.9011 -15.9011 -15.7875 -15.7875 -8.9845 -8.9845 -7.9451 -7.9451 -7.7797 -7.7797 2.0296 2.0296 2.3805 2.3805 2.5542 2.5542 3.0474 3.0474 3.2175 3.2175 3.4041 3.4041 12.5586 12.5586 14.3575 14.3575 14.4399 14.4399 15.1476 15.1476 k = 0.4191 0.2420 0.4683 ( 1869 PWs) bands (ev): -26.1941 -26.1941 -15.9016 -15.9016 -15.7909 -15.7909 -8.9854 -8.9854 -7.9490 -7.9490 -7.7761 -7.7761 2.0016 2.0016 2.3845 2.3845 2.5747 2.5747 3.0397 3.0397 3.2391 3.2391 3.4123 3.4123 12.5154 12.5154 14.3847 14.3847 14.4512 14.4512 15.1549 15.1549 k = 0.4154 0.2399 0.4803 ( 1867 PWs) bands (ev): -26.1931 -26.1931 -15.9029 -15.9029 -15.7935 -15.7935 -8.9865 -8.9865 -7.9533 -7.9533 -7.7720 -7.7720 1.9739 1.9739 2.3896 2.3896 2.5950 2.5950 3.0323 3.0323 3.2594 3.2594 3.4200 3.4200 12.4747 12.4747 14.4092 14.4092 14.4621 14.4621 15.1642 15.1642 k = 0.4118 0.2377 0.4923 ( 1867 PWs) bands (ev): -26.1922 -26.1922 -15.9050 -15.9050 -15.7952 -15.7952 -8.9876 -8.9876 -7.9578 -7.9578 -7.7675 -7.7675 1.9466 1.9466 2.3957 2.3957 2.6150 2.6150 3.0253 3.0253 3.2780 3.2780 3.4276 3.4276 12.4365 12.4365 14.4258 14.4258 14.4773 14.4773 15.1762 15.1762 k = 0.4081 0.2356 0.5043 ( 1869 PWs) bands (ev): -26.1913 -26.1913 -15.9079 -15.9079 -15.7959 -15.7959 -8.9888 -8.9888 -7.9626 -7.9626 -7.7627 -7.7627 1.9199 1.9199 2.4025 2.4025 2.6343 2.6343 3.0189 3.0189 3.2947 3.2947 3.4352 3.4352 12.4007 12.4007 14.4312 14.4312 14.5004 14.5004 15.1912 15.1912 k = 0.4044 0.2335 0.5163 ( 1873 PWs) bands (ev): -26.1904 -26.1904 -15.9116 -15.9116 -15.7956 -15.7956 -8.9902 -8.9902 -7.9674 -7.9674 -7.7577 -7.7577 1.8940 1.8940 2.4100 2.4100 2.6527 2.6527 3.0133 3.0133 3.3092 3.3092 3.4429 3.4429 12.3674 12.3674 14.4284 14.4284 14.5285 14.5285 15.2091 15.2091 k = 0.4007 0.2314 0.5283 ( 1875 PWs) bands (ev): -26.1896 -26.1896 -15.9160 -15.9160 -15.7944 -15.7944 -8.9916 -8.9916 -7.9724 -7.9724 -7.7525 -7.7525 1.8691 1.8691 2.4180 2.4180 2.6696 2.6696 3.0090 3.0090 3.3213 3.3213 3.4509 3.4509 12.3364 12.3364 14.4207 14.4207 14.5587 14.5587 15.2296 15.2296 k = 0.3971 0.2292 0.5403 ( 1875 PWs) bands (ev): -26.1888 -26.1888 -15.9209 -15.9209 -15.7923 -15.7923 -8.9930 -8.9930 -7.9774 -7.9774 -7.7471 -7.7471 1.8452 1.8452 2.4265 2.4265 2.6848 2.6848 3.0062 3.0062 3.3310 3.3310 3.4592 3.4592 12.3078 12.3078 14.4099 14.4099 14.5897 14.5897 15.2525 15.2525 k = 0.3934 0.2271 0.5523 ( 1876 PWs) bands (ev): -26.1881 -26.1881 -15.9263 -15.9263 -15.7895 -15.7895 -8.9945 -8.9945 -7.9824 -7.9824 -7.7416 -7.7416 1.8224 1.8224 2.4352 2.4352 2.6978 2.6978 3.0054 3.0054 3.3382 3.3382 3.4677 3.4677 12.2814 12.2814 14.3970 14.3970 14.6211 14.6211 15.2770 15.2770 k = 0.3897 0.2250 0.5643 ( 1876 PWs) bands (ev): -26.1875 -26.1875 -15.9320 -15.9320 -15.7860 -15.7860 -8.9961 -8.9961 -7.9873 -7.9873 -7.7360 -7.7360 1.8009 1.8009 2.4441 2.4441 2.7080 2.7080 3.0069 3.0069 3.3433 3.3433 3.4761 3.4761 12.2573 12.2573 14.3829 14.3829 14.6524 14.6524 15.3027 15.3027 k = 0.3860 0.2229 0.5764 ( 1879 PWs) bands (ev): -26.1870 -26.1870 -15.9380 -15.9380 -15.7820 -15.7820 -8.9976 -8.9976 -7.9922 -7.9922 -7.7305 -7.7305 1.7808 1.7808 2.4531 2.4531 2.7152 2.7152 3.0110 3.0110 3.3465 3.3465 3.4841 3.4841 12.2353 12.2353 14.3684 14.3684 14.6835 14.6835 15.3291 15.3291 k = 0.3824 0.2208 0.5884 ( 1879 PWs) bands (ev): -26.1865 -26.1865 -15.9441 -15.9441 -15.7775 -15.7775 -8.9992 -8.9992 -7.9969 -7.9969 -7.7250 -7.7250 1.7622 1.7622 2.4619 2.4619 2.7192 2.7192 3.0179 3.0179 3.3482 3.3482 3.4914 3.4914 12.2154 12.2154 14.3541 14.3541 14.7140 14.7140 15.3554 15.3554 k = 0.3787 0.2186 0.6004 ( 1878 PWs) bands (ev): -26.1861 -26.1861 -15.9502 -15.9502 -15.7725 -15.7725 -9.0008 -9.0008 -8.0015 -8.0015 -7.7196 -7.7196 1.7451 1.7451 2.4705 2.4705 2.7200 2.7200 3.0274 3.0274 3.3486 3.3486 3.4976 3.4976 12.1976 12.1976 14.3405 14.3405 14.7439 14.7439 15.3813 15.3813 k = 0.3750 0.2165 0.6124 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9562 -15.9562 -15.7672 -15.7672 -9.0024 -9.0024 -8.0058 -8.0058 -7.7143 -7.7143 1.7296 1.7296 2.4787 2.4787 2.7178 2.7178 3.0395 3.0395 3.3482 3.3482 3.5025 3.5025 12.1818 12.1818 14.3283 14.3283 14.7729 14.7729 15.4062 15.4062 k = 0.6250-0.0722 0.4082 ( 1878 PWs) bands (ev): -26.1858 -26.1858 -15.9562 -15.9562 -15.7672 -15.7672 -9.0024 -9.0024 -8.0058 -8.0058 -7.7143 -7.7143 1.7296 1.7296 2.4787 2.4787 2.7178 2.7178 3.0395 3.0395 3.3482 3.3482 3.5025 3.5025 12.1818 12.1818 14.3283 14.3283 14.7729 14.7729 15.4062 15.4062 k = 0.6188-0.0830 0.4082 ( 1878 PWs) bands (ev): -26.1855 -26.1855 -15.9663 -15.9663 -15.7580 -15.7580 -9.0051 -9.0051 -8.0131 -8.0131 -7.7055 -7.7055 1.7050 1.7050 2.4922 2.4922 2.7118 2.7118 3.0614 3.0614 3.3461 3.3461 3.5097 3.5097 12.1570 12.1570 14.3085 14.3085 14.8214 14.8214 15.4493 15.4493 k = 0.6125-0.0938 0.4082 ( 1872 PWs) bands (ev): -26.1851 -26.1851 -15.9759 -15.9759 -15.7488 -15.7488 -9.0078 -9.0078 -8.0201 -8.0201 -7.6967 -7.6967 1.6810 1.6810 2.5057 2.5057 2.7062 2.7062 3.0825 3.0825 3.3431 3.3431 3.5170 3.5170 12.1329 12.1329 14.2887 14.2887 14.8701 14.8701 15.4959 15.4959 k = 0.6062-0.1046 0.4082 ( 1872 PWs) bands (ev): -26.1848 -26.1848 -15.9852 -15.9852 -15.7399 -15.7399 -9.0106 -9.0106 -8.0270 -8.0270 -7.6881 -7.6881 1.6577 1.6577 2.5190 2.5190 2.7010 2.7010 3.1026 3.1026 3.3394 3.3394 3.5241 3.5241 12.1096 12.1096 14.2689 14.2689 14.9187 14.9187 15.5461 15.5461 k = 0.6000-0.1155 0.4082 ( 1864 PWs) bands (ev): -26.1846 -26.1846 -15.9940 -15.9940 -15.7311 -15.7311 -9.0134 -9.0134 -8.0337 -8.0337 -7.6796 -7.6796 1.6352 1.6352 2.5321 2.5321 2.6964 2.6964 3.1217 3.1217 3.3352 3.3352 3.5310 3.5310 12.0871 12.0871 14.2493 14.2493 14.9671 14.9671 15.5999 15.5999 k = 0.5938-0.1263 0.4082 ( 1868 PWs) bands (ev): -26.1844 -26.1844 -16.0024 -16.0024 -15.7226 -15.7226 -9.0162 -9.0162 -8.0402 -8.0402 -7.6713 -7.6713 1.6136 1.6136 2.5449 2.5449 2.6920 2.6920 3.1399 3.1399 3.3308 3.3308 3.5376 3.5376 12.0655 12.0655 14.2302 14.2302 15.0149 15.0149 15.6570 15.6570 k = 0.5875-0.1371 0.4082 ( 1868 PWs) bands (ev): -26.1842 -26.1842 -16.0103 -16.0103 -15.7144 -15.7144 -9.0190 -9.0190 -8.0464 -8.0464 -7.6633 -7.6633 1.5930 1.5930 2.5573 2.5573 2.6882 2.6882 3.1570 3.1570 3.3263 3.3263 3.5437 3.5437 12.0449 12.0449 14.2117 14.2117 15.0619 15.0619 15.7175 15.7175 k = 0.5813-0.1479 0.4082 ( 1866 PWs) bands (ev): -26.1841 -26.1841 -16.0177 -16.0177 -15.7066 -15.7066 -9.0217 -9.0217 -8.0522 -8.0522 -7.6556 -7.6556 1.5734 1.5734 2.5691 2.5691 2.6847 2.6847 3.1729 3.1729 3.3218 3.3218 3.5493 3.5493 12.0253 12.0253 14.1939 14.1939 15.1078 15.1078 15.7812 15.7812 k = 0.5750-0.1588 0.4082 ( 1866 PWs) bands (ev): -26.1840 -26.1840 -16.0247 -16.0247 -15.6991 -15.6991 -9.0244 -9.0244 -8.0578 -8.0578 -7.6483 -7.6483 1.5550 1.5550 2.5803 2.5803 2.6817 2.6817 3.1877 3.1877 3.3174 3.3174 3.5545 3.5545 12.0068 12.0068 14.1770 14.1770 15.1522 15.1522 15.8481 15.8481 k = 0.5687-0.1696 0.4082 ( 1866 PWs) bands (ev): -26.1839 -26.1839 -16.0312 -16.0312 -15.6921 -15.6921 -9.0269 -9.0269 -8.0630 -8.0630 -7.6414 -7.6414 1.5378 1.5378 2.5908 2.5908 2.6792 2.6792 3.2013 3.2013 3.3132 3.3132 3.5592 3.5592 11.9894 11.9894 14.1611 14.1611 15.1950 15.1950 15.9179 15.9179 k = 0.5625-0.1804 0.4082 ( 1868 PWs) bands (ev): -26.1838 -26.1838 -16.0371 -16.0371 -15.6856 -15.6856 -9.0293 -9.0293 -8.0679 -8.0679 -7.6349 -7.6349 1.5218 1.5218 2.6004 2.6004 2.6771 2.6771 3.2136 3.2136 3.3094 3.3094 3.5635 3.5635 11.9733 11.9733 14.1463 14.1463 15.2356 15.2356 15.9905 15.9905 k = 0.5563-0.1912 0.4082 ( 1862 PWs) bands (ev): -26.1838 -26.1838 -16.0425 -16.0425 -15.6795 -15.6795 -9.0316 -9.0316 -8.0723 -8.0723 -7.6290 -7.6290 1.5072 1.5072 2.6090 2.6090 2.6755 2.6755 3.2246 3.2246 3.3061 3.3061 3.5672 3.5672 11.9585 11.9585 14.1326 14.1326 15.2739 15.2739 16.0657 16.0657 k = 0.5500-0.2021 0.4082 ( 1866 PWs) bands (ev): -26.1837 -26.1837 -16.0474 -16.0474 -15.6741 -15.6741 -9.0337 -9.0337 -8.0764 -8.0764 -7.6235 -7.6235 1.4939 1.4939 2.6166 2.6166 2.6746 2.6746 3.2341 3.2341 3.3033 3.3033 3.5705 3.5705 11.9451 11.9451 14.1202 14.1202 15.3093 15.3093 16.1432 16.1432 k = 0.5437-0.2129 0.4082 ( 1874 PWs) bands (ev): -26.1837 -26.1837 -16.0518 -16.0518 -15.6691 -15.6691 -9.0356 -9.0356 -8.0800 -8.0800 -7.6186 -7.6186 1.4821 1.4821 2.6229 2.6229 2.6742 2.6742 3.2421 3.2421 3.3012 3.3012 3.5734 3.5734 11.9331 11.9331 14.1092 14.1092 15.3416 15.3416 16.2226 16.2226 k = 0.5375-0.2237 0.4082 ( 1882 PWs) bands (ev): -26.1837 -26.1837 -16.0555 -16.0555 -15.6648 -15.6648 -9.0373 -9.0373 -8.0832 -8.0832 -7.6143 -7.6143 1.4718 1.4718 2.6280 2.6280 2.6744 2.6744 3.2485 3.2485 3.2998 3.2998 3.5758 3.5758 11.9225 11.9225 14.0994 14.0994 15.3705 15.3705 16.3032 16.3032 k = 0.5312-0.2345 0.4082 ( 1866 PWs) bands (ev): -26.1837 -26.1837 -16.0587 -16.0587 -15.6611 -15.6611 -9.0387 -9.0387 -8.0858 -8.0858 -7.6106 -7.6106 1.4630 1.4630 2.6319 2.6319 2.6751 2.6751 3.2533 3.2533 3.2993 3.2993 3.5778 3.5778 11.9135 11.9135 14.0912 14.0912 15.3956 15.3956 16.3843 16.3843 k = 0.5250-0.2454 0.4082 ( 1876 PWs) bands (ev): -26.1837 -26.1837 -16.0613 -16.0613 -15.6581 -15.6581 -9.0399 -9.0399 -8.0881 -8.0881 -7.6076 -7.6076 1.4558 1.4558 2.6347 2.6347 2.6761 2.6761 3.2567 3.2567 3.2994 3.2994 3.5795 3.5795 11.9061 11.9061 14.0843 14.0843 15.4165 15.4165 16.4642 16.4642 k = 0.5188-0.2562 0.4082 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0634 -16.0634 -15.6557 -15.6557 -9.0409 -9.0409 -8.0898 -8.0898 -7.6052 -7.6052 1.4501 1.4501 2.6366 2.6366 2.6772 2.6772 3.2589 3.2589 3.3000 3.3000 3.5807 3.5807 11.9003 11.9003 14.0790 14.0790 15.4332 15.4332 16.5400 16.5400 k = 0.5125-0.2670 0.4082 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0648 -16.0648 -15.6539 -15.6539 -9.0416 -9.0416 -8.0910 -8.0910 -7.6035 -7.6035 1.4460 1.4460 2.6378 2.6378 2.6781 2.6781 3.2602 3.2602 3.3006 3.3006 3.5816 3.5816 11.8961 11.8961 14.0751 14.0751 15.4452 15.4452 16.6054 16.6054 k = 0.5062-0.2778 0.4082 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0657 -16.0657 -15.6529 -15.6529 -9.0420 -9.0420 -8.0918 -8.0918 -7.6024 -7.6024 1.4436 1.4436 2.6384 2.6384 2.6788 2.6788 3.2608 3.2608 3.3011 3.3011 3.5822 3.5822 11.8936 11.8936 14.0728 14.0728 15.4525 15.4525 16.6473 16.6473 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -26.1837 -26.1837 -16.0660 -16.0660 -15.6526 -15.6526 -9.0421 -9.0421 -8.0920 -8.0920 -7.6021 -7.6021 1.4428 1.4428 2.6386 2.6386 2.6790 2.6790 3.2610 3.2610 3.3013 3.3013 3.5824 3.5824 11.8928 11.8928 14.0720 14.0720 15.4549 15.4549 16.6589 16.6589 Writing output data file SrF2.save init_run : 0.30s CPU 0.62s WALL ( 1 calls) electrons : 46.97s CPU 48.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 46.96s CPU 48.39s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 367 calls) cegterg : 43.51s CPU 44.29s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 21.31s CPU 22.41s WALL ( 6298 calls) s_psi : 0.81s CPU 0.77s WALL ( 6298 calls) g_psi : 0.08s CPU 0.07s WALL ( 5555 calls) cdiaghg : 20.40s CPU 20.10s WALL ( 5922 calls) cegterg:over : 1.46s CPU 1.48s WALL ( 5555 calls) cegterg:upda : 0.96s CPU 1.02s WALL ( 5555 calls) cegterg:last : 0.58s CPU 0.64s WALL ( 1110 calls) cdiaghg:chol : 1.08s CPU 1.01s WALL ( 5922 calls) cdiaghg:inve : 0.40s CPU 0.44s WALL ( 5922 calls) cdiaghg:para : 1.08s CPU 1.20s WALL ( 11844 calls) Called by h_psi: h_psi:vloc : 19.48s CPU 20.48s WALL ( 6298 calls) h_psi:vnl : 1.81s CPU 1.90s WALL ( 6298 calls) add_vuspsi : 1.00s CPU 0.99s WALL ( 6298 calls) General routines calbec : 0.80s CPU 0.89s WALL ( 6298 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 18.14s CPU 19.01s WALL ( 452616 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.09s WALL ( 734 calls) Parallel routines fft_scatter : 8.59s CPU 9.31s WALL ( 452639 calls) PWSCF : 0m55.93s CPU 1m 9.24s WALL This run was terminated on: 17:59:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=