Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1: 3 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Sr2H3NO6.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 96 57 16 2494 1095 174 Max 98 58 17 2497 1114 177 Sum 3493 2053 595 89823 39701 6285 bravais-lattice index = 14 lattice parameter (alat) = 12.5175 a.u. unit-cell volume = 912.8373 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 4 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.517545 celldm(2)= 1.000000 celldm(3)= 0.537409 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 0.537409 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.860779 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no 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 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] 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 [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 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. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -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 [1,-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 [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 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'-3C2' 2 5 -6 -2 6 -5 180 deg rotation - cart. axis [1,0,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 -12 -11 11 12 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0033784 k( 7) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033784 k( 8) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0033784 k( 13) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033784 k( 14) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0033784 k( 15) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033784 k( 16) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033784 k( 18) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0033784 k( 19) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033784 k( 20) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0033784 k( 21) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033784 k( 22) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033784 k( 23) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033784 k( 24) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0033784 k( 25) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033784 k( 26) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0033784 k( 27) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033784 k( 28) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0033784 k( 29) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 31) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0033784 k( 32) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033784 k( 33) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0033784 k( 40) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033784 k( 41) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0033784 k( 42) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033784 k( 43) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0033784 k( 44) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033784 k( 45) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0033784 k( 46) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 47) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 48) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0033784 k( 49) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033784 k( 50) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0033784 k( 51) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033784 k( 52) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0033784 k( 53) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033784 k( 54) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0033784 k( 55) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033784 k( 56) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0033784 k( 57) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033784 k( 58) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0033784 k( 59) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033784 k( 60) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0033784 k( 61) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033784 k( 62) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0033784 k( 63) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033784 k( 64) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0033784 k( 65) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033784 k( 66) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0033784 k( 67) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033784 k( 68) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0033784 k( 69) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033784 k( 70) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0033784 k( 71) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033784 k( 72) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0033784 k( 73) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033784 k( 74) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0033784 k( 75) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033784 k( 76) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0033784 k( 77) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033784 k( 78) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0033784 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 80) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 81) = ( 0.0000000 0.0000000 0.0206753), wk = 0.0033784 k( 82) = ( 0.0000000 0.0000000 0.0413506), wk = 0.0033784 k( 83) = ( 0.0000000 0.0000000 0.0620260), wk = 0.0033784 k( 84) = ( 0.0000000 0.0000000 0.0827013), wk = 0.0033784 k( 85) = ( 0.0000000 0.0000000 0.1033766), wk = 0.0033784 k( 86) = ( 0.0000000 0.0000000 0.1240519), wk = 0.0033784 k( 87) = ( 0.0000000 0.0000000 0.1447272), wk = 0.0033784 k( 88) = ( 0.0000000 0.0000000 0.1654026), wk = 0.0033784 k( 89) = ( 0.0000000 0.0000000 0.1860779), wk = 0.0033784 k( 90) = ( 0.0000000 0.0000000 0.2067532), wk = 0.0033784 k( 91) = ( 0.0000000 0.0000000 0.2274285), wk = 0.0033784 k( 92) = ( 0.0000000 0.0000000 0.2481038), wk = 0.0033784 k( 93) = ( 0.0000000 0.0000000 0.2687791), wk = 0.0033784 k( 94) = ( 0.0000000 0.0000000 0.2894545), wk = 0.0033784 k( 95) = ( 0.0000000 0.0000000 0.3101298), wk = 0.0033784 k( 96) = ( 0.0000000 0.0000000 0.3308051), wk = 0.0033784 k( 97) = ( 0.0000000 0.0000000 0.3514804), wk = 0.0033784 k( 98) = ( 0.0000000 0.0000000 0.3721557), wk = 0.0033784 k( 99) = ( 0.0000000 0.0000000 0.3928311), wk = 0.0033784 k( 100) = ( 0.0000000 0.0000000 0.4135064), wk = 0.0033784 k( 101) = ( 0.0000000 0.0000000 0.4341817), wk = 0.0033784 k( 102) = ( 0.0000000 0.0000000 0.4548570), wk = 0.0033784 k( 103) = ( 0.0000000 0.0000000 0.4755323), wk = 0.0033784 k( 104) = ( 0.0000000 0.0000000 0.4962077), wk = 0.0033784 k( 105) = ( 0.0000000 0.0000000 0.5168830), wk = 0.0033784 k( 106) = ( 0.0000000 0.0000000 0.5375583), wk = 0.0033784 k( 107) = ( 0.0000000 0.0000000 0.5582336), wk = 0.0033784 k( 108) = ( 0.0000000 0.0000000 0.5789089), wk = 0.0033784 k( 109) = ( 0.0000000 0.0000000 0.5995842), wk = 0.0033784 k( 110) = ( 0.0000000 0.0000000 0.6202596), wk = 0.0033784 k( 111) = ( 0.0000000 0.0000000 0.6409349), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.6616102), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.6822855), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.7029608), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.7236362), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.7443115), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.7649868), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.7856621), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.8063374), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.8270127), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.8476881), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.8683634), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.8890387), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.9097140), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.9303893), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.9303893), wk = 0.0033784 k( 127) = ( 0.0178571 0.0103098 0.9303893), wk = 0.0033784 k( 128) = ( 0.0357143 0.0206197 0.9303893), wk = 0.0033784 k( 129) = ( 0.0535714 0.0309295 0.9303893), wk = 0.0033784 k( 130) = ( 0.0714286 0.0412393 0.9303893), wk = 0.0033784 k( 131) = ( 0.0892857 0.0515491 0.9303893), wk = 0.0033784 k( 132) = ( 0.1071429 0.0618590 0.9303893), wk = 0.0033784 k( 133) = ( 0.1250000 0.0721688 0.9303893), wk = 0.0033784 k( 134) = ( 0.1428571 0.0824786 0.9303893), wk = 0.0033784 k( 135) = ( 0.1607143 0.0927884 0.9303893), wk = 0.0033784 k( 136) = ( 0.1785714 0.1030983 0.9303893), wk = 0.0033784 k( 137) = ( 0.1964286 0.1134081 0.9303893), wk = 0.0033784 k( 138) = ( 0.2142857 0.1237179 0.9303893), wk = 0.0033784 k( 139) = ( 0.2321429 0.1340277 0.9303893), wk = 0.0033784 k( 140) = ( 0.2500000 0.1443376 0.9303893), wk = 0.0033784 k( 141) = ( 0.2678571 0.1546474 0.9303893), wk = 0.0033784 k( 142) = ( 0.2857143 0.1649572 0.9303893), wk = 0.0033784 k( 143) = ( 0.3035714 0.1752670 0.9303893), wk = 0.0033784 k( 144) = ( 0.3214286 0.1855769 0.9303893), wk = 0.0033784 k( 145) = ( 0.3392857 0.1958867 0.9303893), wk = 0.0033784 k( 146) = ( 0.3571429 0.2061965 0.9303893), wk = 0.0033784 k( 147) = ( 0.3750000 0.2165064 0.9303893), wk = 0.0033784 k( 148) = ( 0.3928571 0.2268162 0.9303893), wk = 0.0033784 k( 149) = ( 0.4107143 0.2371260 0.9303893), wk = 0.0033784 k( 150) = ( 0.4285714 0.2474358 0.9303893), wk = 0.0033784 k( 151) = ( 0.4464286 0.2577457 0.9303893), wk = 0.0033784 k( 152) = ( 0.4642857 0.2680555 0.9303893), wk = 0.0033784 k( 153) = ( 0.4821429 0.2783653 0.9303893), wk = 0.0033784 k( 154) = ( 0.5000000 0.2886751 0.9303893), wk = 0.0033784 k( 155) = ( 0.5000000 0.2886751 0.9303893), wk = 0.0033784 k( 156) = ( 0.4895833 0.3067173 0.9303893), wk = 0.0033784 k( 157) = ( 0.4791667 0.3247595 0.9303893), wk = 0.0033784 k( 158) = ( 0.4687500 0.3428017 0.9303893), wk = 0.0033784 k( 159) = ( 0.4583333 0.3608439 0.9303893), wk = 0.0033784 k( 160) = ( 0.4479167 0.3788861 0.9303893), wk = 0.0033784 k( 161) = ( 0.4375000 0.3969283 0.9303893), wk = 0.0033784 k( 162) = ( 0.4270833 0.4149705 0.9303893), wk = 0.0033784 k( 163) = ( 0.4166667 0.4330127 0.9303893), wk = 0.0033784 k( 164) = ( 0.4062500 0.4510549 0.9303893), wk = 0.0033784 k( 165) = ( 0.3958333 0.4690971 0.9303893), wk = 0.0033784 k( 166) = ( 0.3854167 0.4871393 0.9303893), wk = 0.0033784 k( 167) = ( 0.3750000 0.5051815 0.9303893), wk = 0.0033784 k( 168) = ( 0.3645833 0.5232237 0.9303893), wk = 0.0033784 k( 169) = ( 0.3541667 0.5412659 0.9303893), wk = 0.0033784 k( 170) = ( 0.3437500 0.5593081 0.9303893), wk = 0.0033784 k( 171) = ( 0.3333333 0.5773503 0.9303893), wk = 0.0033784 k( 172) = ( 0.3333333 0.5773503 0.9303893), wk = 0.0033784 k( 173) = ( 0.3229167 0.5593081 0.9303893), wk = 0.0033784 k( 174) = ( 0.3125000 0.5412659 0.9303893), wk = 0.0033784 k( 175) = ( 0.3020833 0.5232237 0.9303893), wk = 0.0033784 k( 176) = ( 0.2916667 0.5051815 0.9303893), wk = 0.0033784 k( 177) = ( 0.2812500 0.4871393 0.9303893), wk = 0.0033784 k( 178) = ( 0.2708333 0.4690971 0.9303893), wk = 0.0033784 k( 179) = ( 0.2604167 0.4510549 0.9303893), wk = 0.0033784 k( 180) = ( 0.2500000 0.4330127 0.9303893), wk = 0.0033784 k( 181) = ( 0.2395833 0.4149705 0.9303893), wk = 0.0033784 k( 182) = ( 0.2291667 0.3969283 0.9303893), wk = 0.0033784 k( 183) = ( 0.2187500 0.3788861 0.9303893), wk = 0.0033784 k( 184) = ( 0.2083333 0.3608439 0.9303893), wk = 0.0033784 k( 185) = ( 0.1979167 0.3428017 0.9303893), wk = 0.0033784 k( 186) = ( 0.1875000 0.3247595 0.9303893), wk = 0.0033784 k( 187) = ( 0.1770833 0.3067173 0.9303893), wk = 0.0033784 k( 188) = ( 0.1666667 0.2886751 0.9303893), wk = 0.0033784 k( 189) = ( 0.1562500 0.2706329 0.9303893), wk = 0.0033784 k( 190) = ( 0.1458333 0.2525907 0.9303893), wk = 0.0033784 k( 191) = ( 0.1354167 0.2345486 0.9303893), wk = 0.0033784 k( 192) = ( 0.1250000 0.2165064 0.9303893), wk = 0.0033784 k( 193) = ( 0.1145833 0.1984641 0.9303893), wk = 0.0033784 k( 194) = ( 0.1041667 0.1804220 0.9303893), wk = 0.0033784 k( 195) = ( 0.0937500 0.1623798 0.9303893), wk = 0.0033784 k( 196) = ( 0.0833333 0.1443376 0.9303893), wk = 0.0033784 k( 197) = ( 0.0729167 0.1262954 0.9303893), wk = 0.0033784 k( 198) = ( 0.0625000 0.1082532 0.9303893), wk = 0.0033784 k( 199) = ( 0.0520833 0.0902110 0.9303893), wk = 0.0033784 k( 200) = ( 0.0416667 0.0721688 0.9303893), wk = 0.0033784 k( 201) = ( 0.0312500 0.0541266 0.9303893), wk = 0.0033784 k( 202) = ( 0.0208333 0.0360844 0.9303893), wk = 0.0033784 k( 203) = ( 0.0104167 0.0180422 0.9303893), wk = 0.0033784 k( 204) = ( 0.0000000 0.0000000 0.9303893), wk = 0.0033784 k( 205) = ( 0.5000000 0.2886751 0.9303893), wk = 0.0033784 k( 206) = ( 0.5000000 0.2886751 0.9097140), wk = 0.0033784 k( 207) = ( 0.5000000 0.2886751 0.8890387), wk = 0.0033784 k( 208) = ( 0.5000000 0.2886751 0.8683634), wk = 0.0033784 k( 209) = ( 0.5000000 0.2886751 0.8476881), wk = 0.0033784 k( 210) = ( 0.5000000 0.2886751 0.8270127), wk = 0.0033784 k( 211) = ( 0.5000000 0.2886751 0.8063374), wk = 0.0033784 k( 212) = ( 0.5000000 0.2886751 0.7856621), wk = 0.0033784 k( 213) = ( 0.5000000 0.2886751 0.7649868), wk = 0.0033784 k( 214) = ( 0.5000000 0.2886751 0.7443115), wk = 0.0033784 k( 215) = ( 0.5000000 0.2886751 0.7236362), wk = 0.0033784 k( 216) = ( 0.5000000 0.2886751 0.7029608), wk = 0.0033784 k( 217) = ( 0.5000000 0.2886751 0.6822855), wk = 0.0033784 k( 218) = ( 0.5000000 0.2886751 0.6616102), wk = 0.0033784 k( 219) = ( 0.5000000 0.2886751 0.6409349), wk = 0.0033784 k( 220) = ( 0.5000000 0.2886751 0.6202596), wk = 0.0033784 k( 221) = ( 0.5000000 0.2886751 0.5995842), wk = 0.0033784 k( 222) = ( 0.5000000 0.2886751 0.5789089), wk = 0.0033784 k( 223) = ( 0.5000000 0.2886751 0.5582336), wk = 0.0033784 k( 224) = ( 0.5000000 0.2886751 0.5375583), wk = 0.0033784 k( 225) = ( 0.5000000 0.2886751 0.5168830), wk = 0.0033784 k( 226) = ( 0.5000000 0.2886751 0.4962077), wk = 0.0033784 k( 227) = ( 0.5000000 0.2886751 0.4755323), wk = 0.0033784 k( 228) = ( 0.5000000 0.2886751 0.4548570), wk = 0.0033784 k( 229) = ( 0.5000000 0.2886751 0.4341817), wk = 0.0033784 k( 230) = ( 0.5000000 0.2886751 0.4135064), wk = 0.0033784 k( 231) = ( 0.5000000 0.2886751 0.3928311), wk = 0.0033784 k( 232) = ( 0.5000000 0.2886751 0.3721557), wk = 0.0033784 k( 233) = ( 0.5000000 0.2886751 0.3514804), wk = 0.0033784 k( 234) = ( 0.5000000 0.2886751 0.3308051), wk = 0.0033784 k( 235) = ( 0.5000000 0.2886751 0.3101298), wk = 0.0033784 k( 236) = ( 0.5000000 0.2886751 0.2894545), wk = 0.0033784 k( 237) = ( 0.5000000 0.2886751 0.2687791), wk = 0.0033784 k( 238) = ( 0.5000000 0.2886751 0.2481038), wk = 0.0033784 k( 239) = ( 0.5000000 0.2886751 0.2274285), wk = 0.0033784 k( 240) = ( 0.5000000 0.2886751 0.2067532), wk = 0.0033784 k( 241) = ( 0.5000000 0.2886751 0.1860779), wk = 0.0033784 k( 242) = ( 0.5000000 0.2886751 0.1654026), wk = 0.0033784 k( 243) = ( 0.5000000 0.2886751 0.1447272), wk = 0.0033784 k( 244) = ( 0.5000000 0.2886751 0.1240519), wk = 0.0033784 k( 245) = ( 0.5000000 0.2886751 0.1033766), wk = 0.0033784 k( 246) = ( 0.5000000 0.2886751 0.0827013), wk = 0.0033784 k( 247) = ( 0.5000000 0.2886751 0.0620260), wk = 0.0033784 k( 248) = ( 0.5000000 0.2886751 0.0413506), wk = 0.0033784 k( 249) = ( 0.5000000 0.2886751 0.0206753), wk = 0.0033784 k( 250) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 251) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 252) = ( 0.3333333 0.5773503 0.0206753), wk = 0.0033784 k( 253) = ( 0.3333333 0.5773503 0.0413506), wk = 0.0033784 k( 254) = ( 0.3333333 0.5773503 0.0620260), wk = 0.0033784 k( 255) = ( 0.3333333 0.5773503 0.0827013), wk = 0.0033784 k( 256) = ( 0.3333333 0.5773503 0.1033766), wk = 0.0033784 k( 257) = ( 0.3333333 0.5773503 0.1240519), wk = 0.0033784 k( 258) = ( 0.3333333 0.5773503 0.1447272), wk = 0.0033784 k( 259) = ( 0.3333333 0.5773503 0.1654026), wk = 0.0033784 k( 260) = ( 0.3333333 0.5773503 0.1860779), wk = 0.0033784 k( 261) = ( 0.3333333 0.5773503 0.2067532), wk = 0.0033784 k( 262) = ( 0.3333333 0.5773503 0.2274285), wk = 0.0033784 k( 263) = ( 0.3333333 0.5773503 0.2481038), wk = 0.0033784 k( 264) = ( 0.3333333 0.5773503 0.2687791), wk = 0.0033784 k( 265) = ( 0.3333333 0.5773503 0.2894545), wk = 0.0033784 k( 266) = ( 0.3333333 0.5773503 0.3101298), wk = 0.0033784 k( 267) = ( 0.3333333 0.5773503 0.3308051), wk = 0.0033784 k( 268) = ( 0.3333333 0.5773503 0.3514804), wk = 0.0033784 k( 269) = ( 0.3333333 0.5773503 0.3721557), wk = 0.0033784 k( 270) = ( 0.3333333 0.5773503 0.3928311), wk = 0.0033784 k( 271) = ( 0.3333333 0.5773503 0.4135064), wk = 0.0033784 k( 272) = ( 0.3333333 0.5773503 0.4341817), wk = 0.0033784 k( 273) = ( 0.3333333 0.5773503 0.4548570), wk = 0.0033784 k( 274) = ( 0.3333333 0.5773503 0.4755323), wk = 0.0033784 k( 275) = ( 0.3333333 0.5773503 0.4962077), wk = 0.0033784 k( 276) = ( 0.3333333 0.5773503 0.5168830), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.5375583), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.5582336), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.5789089), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.5995842), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.6202596), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.6409349), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.6616102), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.6822855), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.7029608), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.7236362), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.7443115), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.7649868), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.7856621), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.8063374), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.8270127), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.8476881), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.8683634), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.8890387), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.9097140), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.9303893), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0033784 k( 3) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0033784 k( 4) = ( 0.0535714 0.0000000 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0033784 k( 6) = ( 0.0892857 0.0000000 -0.0000000), wk = 0.0033784 k( 7) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0033784 k( 8) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0033784 k( 10) = ( 0.1607143 0.0000000 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0033784 k( 12) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0033784 k( 13) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0033784 k( 14) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0033784 k( 15) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033784 k( 16) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033784 k( 18) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0033784 k( 19) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0033784 k( 20) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0033784 k( 21) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0033784 k( 22) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0033784 k( 23) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0033784 k( 24) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0033784 k( 25) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033784 k( 26) = ( 0.4464286 0.0000000 -0.0000000), wk = 0.0033784 k( 27) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0033784 k( 28) = ( 0.4821429 0.0000000 -0.0000000), wk = 0.0033784 k( 29) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 30) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 31) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0033784 k( 32) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033784 k( 33) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0033784 k( 34) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0033784 k( 36) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0033784 k( 40) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033784 k( 41) = ( 0.3854167 0.2291667 -0.0000000), wk = 0.0033784 k( 42) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033784 k( 43) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0033784 k( 44) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033784 k( 45) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0033784 k( 46) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 47) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 48) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0033784 k( 49) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033784 k( 50) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0033784 k( 51) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033784 k( 52) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033784 k( 53) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033784 k( 54) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0033784 k( 55) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033784 k( 56) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0033784 k( 57) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033784 k( 58) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0033784 k( 59) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033784 k( 60) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033784 k( 61) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033784 k( 62) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0033784 k( 63) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033784 k( 64) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0033784 k( 65) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033784 k( 66) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0033784 k( 67) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033784 k( 68) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033784 k( 69) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033784 k( 70) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033784 k( 71) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033784 k( 72) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0033784 k( 73) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033784 k( 74) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0033784 k( 75) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033784 k( 76) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0033784 k( 77) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033784 k( 78) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0033784 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 80) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 81) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0033784 k( 82) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0033784 k( 83) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033784 k( 84) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0033784 k( 85) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033784 k( 86) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033784 k( 87) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0033784 k( 88) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0033784 k( 89) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033784 k( 90) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033784 k( 91) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0033784 k( 92) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033784 k( 93) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0033784 k( 94) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0033784 k( 95) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033784 k( 96) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0033784 k( 97) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0033784 k( 98) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033784 k( 99) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0033784 k( 100) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033784 k( 101) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033784 k( 102) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0033784 k( 103) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0033784 k( 104) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033784 k( 105) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033784 k( 106) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0033784 k( 107) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033784 k( 108) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0033784 k( 109) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0033784 k( 110) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033784 k( 111) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 127) = ( 0.0178571 0.0000000 0.5000000), wk = 0.0033784 k( 128) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033784 k( 129) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0033784 k( 130) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033784 k( 131) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0033784 k( 132) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0033784 k( 133) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033784 k( 134) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033784 k( 135) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0033784 k( 136) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0033784 k( 137) = ( 0.1964286 -0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0033784 k( 140) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033784 k( 141) = ( 0.2678571 -0.0000000 0.5000000), wk = 0.0033784 k( 142) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033784 k( 143) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0033784 k( 144) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0033784 k( 145) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0033784 k( 146) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0033784 k( 147) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033784 k( 148) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0033784 k( 149) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0033784 k( 150) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033784 k( 151) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0033784 k( 152) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0033784 k( 153) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0033784 k( 154) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 155) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 156) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0033784 k( 157) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033784 k( 158) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0033784 k( 159) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033784 k( 160) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0033784 k( 161) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033784 k( 162) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0033784 k( 163) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033784 k( 164) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0033784 k( 165) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033784 k( 166) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0033784 k( 167) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033784 k( 168) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0033784 k( 169) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033784 k( 170) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0033784 k( 171) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 172) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 173) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0033784 k( 174) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033784 k( 175) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0033784 k( 176) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033784 k( 177) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0033784 k( 178) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033784 k( 179) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0033784 k( 180) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033784 k( 181) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0033784 k( 182) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033784 k( 183) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0033784 k( 184) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033784 k( 185) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0033784 k( 186) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033784 k( 187) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0033784 k( 188) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033784 k( 189) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0033784 k( 190) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033784 k( 191) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0033784 k( 192) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033784 k( 193) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0033784 k( 194) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033784 k( 195) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0033784 k( 196) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033784 k( 197) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0033784 k( 198) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033784 k( 199) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0033784 k( 200) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033784 k( 201) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0033784 k( 202) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033784 k( 203) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0033784 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 206) = ( 0.5000000 0.0000000 0.4888889), wk = 0.0033784 k( 207) = ( 0.5000000 0.0000000 0.4777778), wk = 0.0033784 k( 208) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0033784 k( 209) = ( 0.5000000 0.0000000 0.4555556), wk = 0.0033784 k( 210) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033784 k( 211) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0033784 k( 212) = ( 0.5000000 0.0000000 0.4222222), wk = 0.0033784 k( 213) = ( 0.5000000 0.0000000 0.4111111), wk = 0.0033784 k( 214) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033784 k( 215) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033784 k( 216) = ( 0.5000000 0.0000000 0.3777778), wk = 0.0033784 k( 217) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0033784 k( 218) = ( 0.5000000 0.0000000 0.3555556), wk = 0.0033784 k( 219) = ( 0.5000000 0.0000000 0.3444444), wk = 0.0033784 k( 220) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033784 k( 221) = ( 0.5000000 0.0000000 0.3222222), wk = 0.0033784 k( 222) = ( 0.5000000 0.0000000 0.3111111), wk = 0.0033784 k( 223) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033784 k( 224) = ( 0.5000000 0.0000000 0.2888889), wk = 0.0033784 k( 225) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033784 k( 226) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0033784 k( 227) = ( 0.5000000 0.0000000 0.2555556), wk = 0.0033784 k( 228) = ( 0.5000000 0.0000000 0.2444444), wk = 0.0033784 k( 229) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0033784 k( 230) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033784 k( 231) = ( 0.5000000 0.0000000 0.2111111), wk = 0.0033784 k( 232) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033784 k( 233) = ( 0.5000000 0.0000000 0.1888889), wk = 0.0033784 k( 234) = ( 0.5000000 0.0000000 0.1777778), wk = 0.0033784 k( 235) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033784 k( 236) = ( 0.5000000 0.0000000 0.1555556), wk = 0.0033784 k( 237) = ( 0.5000000 0.0000000 0.1444444), wk = 0.0033784 k( 238) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0033784 k( 239) = ( 0.5000000 0.0000000 0.1222222), wk = 0.0033784 k( 240) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033784 k( 241) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033784 k( 242) = ( 0.5000000 0.0000000 0.0888889), wk = 0.0033784 k( 243) = ( 0.5000000 0.0000000 0.0777778), wk = 0.0033784 k( 244) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0033784 k( 245) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033784 k( 246) = ( 0.5000000 0.0000000 0.0444444), wk = 0.0033784 k( 247) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0033784 k( 248) = ( 0.5000000 0.0000000 0.0222222), wk = 0.0033784 k( 249) = ( 0.5000000 0.0000000 0.0111111), wk = 0.0033784 k( 250) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 251) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 252) = ( 0.3333333 0.3333333 0.0111111), wk = 0.0033784 k( 253) = ( 0.3333333 0.3333333 0.0222222), wk = 0.0033784 k( 254) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0033784 k( 255) = ( 0.3333333 0.3333333 0.0444444), wk = 0.0033784 k( 256) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033784 k( 257) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0033784 k( 258) = ( 0.3333333 0.3333333 0.0777778), wk = 0.0033784 k( 259) = ( 0.3333333 0.3333333 0.0888889), wk = 0.0033784 k( 260) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033784 k( 261) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033784 k( 262) = ( 0.3333333 0.3333333 0.1222222), wk = 0.0033784 k( 263) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0033784 k( 264) = ( 0.3333333 0.3333333 0.1444444), wk = 0.0033784 k( 265) = ( 0.3333333 0.3333333 0.1555556), wk = 0.0033784 k( 266) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033784 k( 267) = ( 0.3333333 0.3333333 0.1777778), wk = 0.0033784 k( 268) = ( 0.3333333 0.3333333 0.1888889), wk = 0.0033784 k( 269) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033784 k( 270) = ( 0.3333333 0.3333333 0.2111111), wk = 0.0033784 k( 271) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033784 k( 272) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0033784 k( 273) = ( 0.3333333 0.3333333 0.2444444), wk = 0.0033784 k( 274) = ( 0.3333333 0.3333333 0.2555556), wk = 0.0033784 k( 275) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0033784 k( 276) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033784 k( 277) = ( 0.3333333 0.3333333 0.2888889), wk = 0.0033784 k( 278) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033784 k( 279) = ( 0.3333333 0.3333333 0.3111111), wk = 0.0033784 k( 280) = ( 0.3333333 0.3333333 0.3222222), wk = 0.0033784 k( 281) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033784 k( 282) = ( 0.3333333 0.3333333 0.3444444), wk = 0.0033784 k( 283) = ( 0.3333333 0.3333333 0.3555556), wk = 0.0033784 k( 284) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0033784 k( 285) = ( 0.3333333 0.3333333 0.3777778), wk = 0.0033784 k( 286) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033784 k( 287) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033784 k( 288) = ( 0.3333333 0.3333333 0.4111111), wk = 0.0033784 k( 289) = ( 0.3333333 0.3333333 0.4222222), wk = 0.0033784 k( 290) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0033784 k( 291) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033784 k( 292) = ( 0.3333333 0.3333333 0.4555556), wk = 0.0033784 k( 293) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0033784 k( 294) = ( 0.3333333 0.3333333 0.4777778), wk = 0.0033784 k( 295) = ( 0.3333333 0.3333333 0.4888889), wk = 0.0033784 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 Dense grid: 89823 G-vectors FFT dimensions: ( 72, 72, 40) Smooth grid: 39701 G-vectors FFT dimensions: ( 60, 60, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 296, 76) NL pseudopotentials 0.39 Mb ( 148, 172) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2494) G-vector shells 0.01 Mb ( 1113) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.37 Mb ( 296, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.40 Mb ( 172, 2, 76) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Sr2H3NO6.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.0 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.8 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.6 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.4 secs Computing kpt #: 13 total cpu time spent up to now is 26.7 secs Computing kpt #: 14 total cpu time spent up to now is 28.3 secs Computing kpt #: 15 total cpu time spent up to now is 30.0 secs Computing kpt #: 16 total cpu time spent up to now is 31.6 secs Computing kpt #: 17 total cpu time spent up to now is 33.2 secs Computing kpt #: 18 total cpu time spent up to now is 34.7 secs Computing kpt #: 19 total cpu time spent up to now is 36.3 secs Computing kpt #: 20 total cpu time spent up to now is 37.8 secs Computing kpt #: 21 total cpu time spent up to now is 39.3 secs Computing kpt #: 22 total cpu time spent up to now is 40.6 secs Computing kpt #: 23 total cpu time spent up to now is 42.1 secs Computing kpt #: 24 total cpu time spent up to now is 43.7 secs Computing kpt #: 25 total cpu time spent up to now is 45.3 secs Computing kpt #: 26 total cpu time spent up to now is 46.6 secs Computing kpt #: 27 total cpu time spent up to now is 47.9 secs Computing kpt #: 28 total cpu time spent up to now is 49.1 secs Computing kpt #: 29 total cpu time spent up to now is 50.4 secs Computing kpt #: 30 total cpu time spent up to now is 51.6 secs Computing kpt #: 31 total cpu time spent up to now is 53.1 secs Computing kpt #: 32 total cpu time spent up to now is 54.4 secs Computing kpt #: 33 total cpu time spent up to now is 55.7 secs Computing kpt #: 34 total cpu time spent up to now is 57.0 secs Computing kpt #: 35 total cpu time spent up to now is 58.4 secs Computing kpt #: 36 total cpu time spent up to now is 59.6 secs Computing kpt #: 37 total cpu time spent up to now is 61.0 secs Computing kpt #: 38 total cpu time spent up to now is 62.2 secs Computing kpt #: 39 total cpu time spent up to now is 63.3 secs Computing kpt #: 40 total cpu time spent up to now is 64.8 secs Computing kpt #: 41 total cpu time spent up to now is 66.0 secs Computing kpt #: 42 total cpu time spent up to now is 67.2 secs Computing kpt #: 43 total cpu time spent up to now is 68.4 secs Computing kpt #: 44 total cpu time spent up to now is 69.9 secs Computing kpt #: 45 total cpu time spent up to now is 71.2 secs Computing kpt #: 46 total cpu time spent up to now is 73.8 secs Computing kpt #: 47 total cpu time spent up to now is 75.0 secs Computing kpt #: 48 total cpu time spent up to now is 76.2 secs Computing kpt #: 49 total cpu time spent up to now is 77.7 secs Computing kpt #: 50 total cpu time spent up to now is 78.9 secs Computing kpt #: 51 total cpu time spent up to now is 80.1 secs Computing kpt #: 52 total cpu time spent up to now is 81.3 secs Computing kpt #: 53 total cpu time spent up to now is 82.5 secs Computing kpt #: 54 total cpu time spent up to now is 83.7 secs Computing kpt #: 55 total cpu time spent up to now is 85.2 secs Computing kpt #: 56 total cpu time spent up to now is 86.4 secs Computing kpt #: 57 total cpu time spent up to now is 87.9 secs Computing kpt #: 58 total cpu time spent up to now is 89.1 secs Computing kpt #: 59 total cpu time spent up to now is 90.4 secs Computing kpt #: 60 total cpu time spent up to now is 91.7 secs Computing kpt #: 61 total cpu time spent up to now is 93.0 secs Computing kpt #: 62 total cpu time spent up to now is 94.4 secs Computing kpt #: 63 total cpu time spent up to now is 95.9 secs Computing kpt #: 64 total cpu time spent up to now is 97.4 secs Computing kpt #: 65 total cpu time spent up to now is 99.0 secs Computing kpt #: 66 total cpu time spent up to now is 100.7 secs Computing kpt #: 67 total cpu time spent up to now is 103.0 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.7 secs Computing kpt #: 69 total cpu time spent up to now is 107.5 secs Computing kpt #: 70 total cpu time spent up to now is 110.1 secs Computing kpt #: 71 total cpu time spent up to now is 112.3 secs Computing kpt #: 72 total cpu time spent up to now is 113.5 secs Computing kpt #: 73 total cpu time spent up to now is 114.9 secs Computing kpt #: 74 total cpu time spent up to now is 116.1 secs Computing kpt #: 75 total cpu time spent up to now is 117.3 secs Computing kpt #: 76 total cpu time spent up to now is 118.5 secs Computing kpt #: 77 total cpu time spent up to now is 119.7 secs Computing kpt #: 78 total cpu time spent up to now is 120.7 secs Computing kpt #: 79 total cpu time spent up to now is 121.8 secs Computing kpt #: 80 total cpu time spent up to now is 122.8 secs Computing kpt #: 81 total cpu time spent up to now is 123.8 secs Computing kpt #: 82 total cpu time spent up to now is 124.7 secs Computing kpt #: 83 total cpu time spent up to now is 125.7 secs Computing kpt #: 84 total cpu time spent up to now is 126.7 secs Computing kpt #: 85 total cpu time spent up to now is 127.8 secs Computing kpt #: 86 total cpu time spent up to now is 128.9 secs Computing kpt #: 87 total cpu time spent up to now is 129.9 secs Computing kpt #: 88 total cpu time spent up to now is 131.0 secs Computing kpt #: 89 total cpu time spent up to now is 132.1 secs Computing kpt #: 90 total cpu time spent up to now is 133.2 secs Computing kpt #: 91 total cpu time spent up to now is 134.5 secs Computing kpt #: 92 total cpu time spent up to now is 136.0 secs Computing kpt #: 93 total cpu time spent up to now is 138.3 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.2 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.9 secs Computing kpt #: 97 total cpu time spent up to now is 149.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.0 secs Computing kpt #: 99 total cpu time spent up to now is 154.0 secs Computing kpt #: 100 total cpu time spent up to now is 156.3 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.1 secs Computing kpt #: 102 total cpu time spent up to now is 161.4 secs Computing kpt #: 103 total cpu time spent up to now is 163.8 secs Computing kpt #: 104 total cpu time spent up to now is 165.9 secs Computing kpt #: 105 total cpu time spent up to now is 168.2 secs Computing kpt #: 106 total cpu time spent up to now is 170.5 secs Computing kpt #: 107 total cpu time spent up to now is 172.9 secs Computing kpt #: 108 total cpu time spent up to now is 175.7 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.6 secs Computing kpt #: 110 total cpu time spent up to now is 181.6 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.4 secs Computing kpt #: 112 total cpu time spent up to now is 187.2 secs Computing kpt #: 113 total cpu time spent up to now is 188.8 secs Computing kpt #: 114 total cpu time spent up to now is 190.7 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.7 secs Computing kpt #: 116 total cpu time spent up to now is 195.2 secs Computing kpt #: 117 total cpu time spent up to now is 196.7 secs Computing kpt #: 118 total cpu time spent up to now is 198.2 secs Computing kpt #: 119 total cpu time spent up to now is 199.6 secs Computing kpt #: 120 total cpu time spent up to now is 201.1 secs Computing kpt #: 121 total cpu time spent up to now is 202.6 secs Computing kpt #: 122 total cpu time spent up to now is 204.1 secs Computing kpt #: 123 total cpu time spent up to now is 205.5 secs Computing kpt #: 124 total cpu time spent up to now is 207.2 secs Computing kpt #: 125 total cpu time spent up to now is 208.9 secs Computing kpt #: 126 total cpu time spent up to now is 210.1 secs Computing kpt #: 127 total cpu time spent up to now is 211.6 secs Computing kpt #: 128 total cpu time spent up to now is 213.0 secs Computing kpt #: 129 total cpu time spent up to now is 214.5 secs Computing kpt #: 130 total cpu time spent up to now is 215.7 secs Computing kpt #: 131 total cpu time spent up to now is 217.2 secs Computing kpt #: 132 total cpu time spent up to now is 218.6 secs Computing kpt #: 133 total cpu time spent up to now is 219.9 secs Computing kpt #: 134 total cpu time spent up to now is 221.3 secs Computing kpt #: 135 total cpu time spent up to now is 222.7 secs Computing kpt #: 136 total cpu time spent up to now is 223.9 secs Computing kpt #: 137 total cpu time spent up to now is 225.4 secs Computing kpt #: 138 total cpu time spent up to now is 226.8 secs Computing kpt #: 139 total cpu time spent up to now is 228.3 secs Computing kpt #: 140 total cpu time spent up to now is 229.7 secs Computing kpt #: 141 total cpu time spent up to now is 231.1 secs Computing kpt #: 142 total cpu time spent up to now is 232.6 secs Computing kpt #: 143 total cpu time spent up to now is 234.1 secs Computing kpt #: 144 total cpu time spent up to now is 235.5 secs Computing kpt #: 145 total cpu time spent up to now is 237.1 secs Computing kpt #: 146 total cpu time spent up to now is 238.7 secs Computing kpt #: 147 total cpu time spent up to now is 240.5 secs Computing kpt #: 148 total cpu time spent up to now is 242.2 secs Computing kpt #: 149 total cpu time spent up to now is 243.8 secs Computing kpt #: 150 total cpu time spent up to now is 245.4 secs Computing kpt #: 151 total cpu time spent up to now is 246.9 secs Computing kpt #: 152 total cpu time spent up to now is 248.4 secs Computing kpt #: 153 total cpu time spent up to now is 249.9 secs Computing kpt #: 154 total cpu time spent up to now is 251.3 secs Computing kpt #: 155 total cpu time spent up to now is 252.8 secs Computing kpt #: 156 total cpu time spent up to now is 254.3 secs Computing kpt #: 157 total cpu time spent up to now is 255.7 secs Computing kpt #: 158 total cpu time spent up to now is 257.2 secs Computing kpt #: 159 total cpu time spent up to now is 258.7 secs Computing kpt #: 160 total cpu time spent up to now is 260.2 secs Computing kpt #: 161 total cpu time spent up to now is 261.8 secs Computing kpt #: 162 total cpu time spent up to now is 263.3 secs Computing kpt #: 163 total cpu time spent up to now is 264.9 secs Computing kpt #: 164 total cpu time spent up to now is 266.5 secs Computing kpt #: 165 total cpu time spent up to now is 268.2 secs Computing kpt #: 166 total cpu time spent up to now is 269.5 secs Computing kpt #: 167 total cpu time spent up to now is 271.3 secs Computing kpt #: 168 total cpu time spent up to now is 272.6 secs Computing kpt #: 169 total cpu time spent up to now is 274.3 secs Computing kpt #: 170 total cpu time spent up to now is 275.5 secs Computing kpt #: 171 total cpu time spent up to now is 277.3 secs Computing kpt #: 172 total cpu time spent up to now is 278.9 secs Computing kpt #: 173 total cpu time spent up to now is 280.7 secs Computing kpt #: 174 total cpu time spent up to now is 282.0 secs Computing kpt #: 175 total cpu time spent up to now is 283.9 secs Computing kpt #: 176 total cpu time spent up to now is 285.2 secs Computing kpt #: 177 total cpu time spent up to now is 286.9 secs Computing kpt #: 178 total cpu time spent up to now is 288.2 secs Computing kpt #: 179 total cpu time spent up to now is 289.7 secs Computing kpt #: 180 total cpu time spent up to now is 291.4 secs Computing kpt #: 181 total cpu time spent up to now is 293.0 secs Computing kpt #: 182 total cpu time spent up to now is 294.5 secs Computing kpt #: 183 total cpu time spent up to now is 295.9 secs Computing kpt #: 184 total cpu time spent up to now is 297.3 secs Computing kpt #: 185 total cpu time spent up to now is 298.7 secs Computing kpt #: 186 total cpu time spent up to now is 300.0 secs Computing kpt #: 187 total cpu time spent up to now is 301.4 secs Computing kpt #: 188 total cpu time spent up to now is 302.8 secs Computing kpt #: 189 total cpu time spent up to now is 304.2 secs Computing kpt #: 190 total cpu time spent up to now is 305.6 secs Computing kpt #: 191 total cpu time spent up to now is 307.0 secs Computing kpt #: 192 total cpu time spent up to now is 308.4 secs Computing kpt #: 193 total cpu time spent up to now is 309.8 secs Computing kpt #: 194 total cpu time spent up to now is 311.3 secs Computing kpt #: 195 total cpu time spent up to now is 312.6 secs Computing kpt #: 196 total cpu time spent up to now is 314.1 secs Computing kpt #: 197 total cpu time spent up to now is 315.5 secs Computing kpt #: 198 total cpu time spent up to now is 316.9 secs Computing kpt #: 199 total cpu time spent up to now is 318.3 secs Computing kpt #: 200 total cpu time spent up to now is 319.6 secs Computing kpt #: 201 total cpu time spent up to now is 321.0 secs Computing kpt #: 202 total cpu time spent up to now is 322.4 secs Computing kpt #: 203 total cpu time spent up to now is 323.8 secs Computing kpt #: 204 total cpu time spent up to now is 325.2 secs Computing kpt #: 205 total cpu time spent up to now is 326.7 secs Computing kpt #: 206 total cpu time spent up to now is 328.1 secs Computing kpt #: 207 total cpu time spent up to now is 329.7 secs Computing kpt #: 208 total cpu time spent up to now is 331.2 secs Computing kpt #: 209 total cpu time spent up to now is 332.7 secs Computing kpt #: 210 total cpu time spent up to now is 334.1 secs Computing kpt #: 211 total cpu time spent up to now is 335.6 secs Computing kpt #: 212 total cpu time spent up to now is 337.1 secs Computing kpt #: 213 total cpu time spent up to now is 338.6 secs Computing kpt #: 214 total cpu time spent up to now is 340.1 secs Computing kpt #: 215 total cpu time spent up to now is 341.5 secs Computing kpt #: 216 total cpu time spent up to now is 343.1 secs Computing kpt #: 217 total cpu time spent up to now is 344.6 secs Computing kpt #: 218 total cpu time spent up to now is 346.2 secs Computing kpt #: 219 total cpu time spent up to now is 348.0 secs Computing kpt #: 220 total cpu time spent up to now is 350.0 secs Computing kpt #: 221 total cpu time spent up to now is 352.1 secs Computing kpt #: 222 total cpu time spent up to now is 354.1 secs Computing kpt #: 223 total cpu time spent up to now is 355.5 secs Computing kpt #: 224 total cpu time spent up to now is 357.0 secs Computing kpt #: 225 total cpu time spent up to now is 358.4 secs Computing kpt #: 226 total cpu time spent up to now is 359.9 secs Computing kpt #: 227 total cpu time spent up to now is 361.3 secs Computing kpt #: 228 total cpu time spent up to now is 362.7 secs Computing kpt #: 229 total cpu time spent up to now is 364.1 secs Computing kpt #: 230 total cpu time spent up to now is 365.5 secs Computing kpt #: 231 total cpu time spent up to now is 366.9 secs Computing kpt #: 232 total cpu time spent up to now is 368.4 secs Computing kpt #: 233 total cpu time spent up to now is 369.8 secs Computing kpt #: 234 total cpu time spent up to now is 371.1 secs Computing kpt #: 235 total cpu time spent up to now is 372.5 secs Computing kpt #: 236 total cpu time spent up to now is 373.9 secs Computing kpt #: 237 total cpu time spent up to now is 375.5 secs Computing kpt #: 238 total cpu time spent up to now is 376.8 secs Computing kpt #: 239 total cpu time spent up to now is 378.3 secs Computing kpt #: 240 total cpu time spent up to now is 379.7 secs Computing kpt #: 241 total cpu time spent up to now is 380.9 secs Computing kpt #: 242 total cpu time spent up to now is 382.1 secs Computing kpt #: 243 total cpu time spent up to now is 383.2 secs Computing kpt #: 244 total cpu time spent up to now is 384.6 secs Computing kpt #: 245 total cpu time spent up to now is 385.8 secs Computing kpt #: 246 total cpu time spent up to now is 387.1 secs Computing kpt #: 247 total cpu time spent up to now is 388.5 secs Computing kpt #: 248 total cpu time spent up to now is 389.7 secs Computing kpt #: 249 total cpu time spent up to now is 390.8 secs Computing kpt #: 250 total cpu time spent up to now is 392.1 secs Computing kpt #: 251 total cpu time spent up to now is 393.4 secs Computing kpt #: 252 total cpu time spent up to now is 394.7 secs Computing kpt #: 253 total cpu time spent up to now is 395.9 secs Computing kpt #: 254 total cpu time spent up to now is 397.2 secs Computing kpt #: 255 total cpu time spent up to now is 398.9 secs Computing kpt #: 256 total cpu time spent up to now is 400.6 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.4 secs Computing kpt #: 258 total cpu time spent up to now is 404.7 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.4 secs Computing kpt #: 260 total cpu time spent up to now is 409.2 secs Computing kpt #: 261 total cpu time spent up to now is 411.0 secs Computing kpt #: 262 total cpu time spent up to now is 412.7 secs Computing kpt #: 263 total cpu time spent up to now is 414.5 secs Computing kpt #: 264 total cpu time spent up to now is 417.0 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.9 secs Computing kpt #: 266 total cpu time spent up to now is 421.7 secs Computing kpt #: 267 total cpu time spent up to now is 423.5 secs Computing kpt #: 268 total cpu time spent up to now is 425.3 secs Computing kpt #: 269 total cpu time spent up to now is 427.0 secs Computing kpt #: 270 total cpu time spent up to now is 428.7 secs Computing kpt #: 271 total cpu time spent up to now is 430.3 secs Computing kpt #: 272 total cpu time spent up to now is 432.0 secs Computing kpt #: 273 total cpu time spent up to now is 433.8 secs Computing kpt #: 274 total cpu time spent up to now is 435.6 secs Computing kpt #: 275 total cpu time spent up to now is 437.4 secs Computing kpt #: 276 total cpu time spent up to now is 439.1 secs Computing kpt #: 277 total cpu time spent up to now is 440.8 secs Computing kpt #: 278 total cpu time spent up to now is 442.6 secs Computing kpt #: 279 total cpu time spent up to now is 444.3 secs Computing kpt #: 280 total cpu time spent up to now is 446.0 secs Computing kpt #: 281 total cpu time spent up to now is 447.7 secs Computing kpt #: 282 total cpu time spent up to now is 449.4 secs Computing kpt #: 283 total cpu time spent up to now is 451.1 secs Computing kpt #: 284 total cpu time spent up to now is 452.8 secs Computing kpt #: 285 total cpu time spent up to now is 454.5 secs Computing kpt #: 286 total cpu time spent up to now is 456.3 secs Computing kpt #: 287 total cpu time spent up to now is 458.0 secs Computing kpt #: 288 total cpu time spent up to now is 459.8 secs Computing kpt #: 289 total cpu time spent up to now is 461.4 secs Computing kpt #: 290 total cpu time spent up to now is 462.7 secs Computing kpt #: 291 total cpu time spent up to now is 464.3 secs Computing kpt #: 292 total cpu time spent up to now is 466.0 secs Computing kpt #: 293 total cpu time spent up to now is 467.2 secs Computing kpt #: 294 total cpu time spent up to now is 468.9 secs Computing kpt #: 295 total cpu time spent up to now is 470.2 secs Computing kpt #: 296 total cpu time spent up to now is 471.9 secs ethr = 1.56E-08, avg # of iterations = 46.9 total cpu time spent up to now is 471.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4965 PWs) bands (ev): -27.4814 -27.4814 -27.4371 -27.4371 -21.5955 -21.5955 -16.0376 -16.0376 -16.0347 -16.0347 -15.0349 -15.0349 -15.0211 -15.0211 -14.9531 -14.9531 -10.2292 -10.2292 -10.1085 -10.1085 -9.2075 -9.2075 -9.0264 -9.0264 -8.9670 -8.9670 -8.8866 -8.8866 -5.3921 -5.3921 -3.3646 -3.3646 -3.0871 -3.0871 -3.0687 -3.0687 -0.2203 -0.2203 -0.2082 -0.2082 -0.0851 -0.0851 2.0759 2.0759 2.1003 2.1003 2.2376 2.2376 2.6630 2.6630 2.6632 2.6632 3.5331 3.5331 3.5340 3.5340 3.8805 3.8805 3.9407 3.9407 3.9816 3.9816 4.0393 4.0393 7.9954 7.9954 9.8845 9.8845 10.3382 10.3382 11.9344 11.9344 11.9639 11.9639 12.8860 12.8860 k = 0.0179 0.0103-0.0000 ( 4969 PWs) bands (ev): -27.4813 -27.4813 -27.4372 -27.4372 -21.5955 -21.5955 -16.0377 -16.0377 -16.0347 -16.0347 -15.0348 -15.0348 -15.0211 -15.0211 -14.9531 -14.9531 -10.2291 -10.2291 -10.1086 -10.1086 -9.2075 -9.2075 -9.0266 -9.0266 -8.9670 -8.9670 -8.8866 -8.8866 -5.3917 -5.3917 -3.3646 -3.3646 -3.0874 -3.0874 -3.0690 -3.0690 -0.2200 -0.2200 -0.2079 -0.2079 -0.0850 -0.0850 2.0748 2.0749 2.0991 2.0992 2.2402 2.2402 2.6628 2.6628 2.6630 2.6630 3.5334 3.5334 3.5344 3.5344 3.8790 3.8791 3.9408 3.9408 3.9815 3.9815 4.0391 4.0391 7.9951 7.9951 9.8868 9.8868 10.3398 10.3398 11.9338 11.9338 11.9633 11.9633 12.8830 12.8830 k = 0.0357 0.0206-0.0000 ( 4969 PWs) bands (ev): -27.4812 -27.4812 -27.4372 -27.4372 -21.5955 -21.5955 -16.0377 -16.0377 -16.0348 -16.0348 -15.0346 -15.0345 -15.0209 -15.0209 -14.9532 -14.9532 -10.2290 -10.2290 -10.1088 -10.1088 -9.2073 -9.2073 -9.0270 -9.0270 -8.9669 -8.9669 -8.8868 -8.8868 -5.3907 -5.3907 -3.3647 -3.3647 -3.0883 -3.0883 -3.0700 -3.0699 -0.2191 -0.2190 -0.2070 -0.2069 -0.0846 -0.0846 2.0716 2.0719 2.0957 2.0960 2.2479 2.2479 2.6621 2.6621 2.6625 2.6625 3.5343 3.5343 3.5359 3.5359 3.8748 3.8749 3.9403 3.9407 3.9812 3.9815 4.0384 4.0384 7.9944 7.9944 9.8939 9.8939 10.3447 10.3447 11.9315 11.9316 11.9616 11.9617 12.8741 12.8742 k = 0.0536 0.0309-0.0000 ( 4971 PWs) bands (ev): -27.4811 -27.4811 -27.4374 -27.4374 -21.5955 -21.5955 -16.0379 -16.0379 -16.0349 -16.0349 -15.0342 -15.0342 -15.0206 -15.0206 -14.9534 -14.9534 -10.2288 -10.2288 -10.1092 -10.1092 -9.2071 -9.2069 -9.0278 -9.0277 -8.9668 -8.9668 -8.8871 -8.8871 -5.3889 -5.3889 -3.3647 -3.3647 -3.0898 -3.0897 -3.0716 -3.0715 -0.2176 -0.2173 -0.2055 -0.2052 -0.0839 -0.0839 2.0664 2.0674 2.0904 2.0914 2.2598 2.2598 2.6608 2.6609 2.6616 2.6616 3.5355 3.5356 3.5386 3.5386 3.8684 3.8688 3.9378 3.9390 3.9816 3.9824 4.0373 4.0374 7.9931 7.9931 9.9055 9.9055 10.3527 10.3527 11.9268 11.9270 11.9597 11.9598 12.8599 12.8600 k = 0.0714 0.0412-0.0000 ( 4973 PWs) bands (ev): -27.4809 -27.4809 -27.4376 -27.4376 -21.5956 -21.5956 -16.0380 -16.0380 -16.0351 -16.0351 -15.0337 -15.0337 -15.0202 -15.0201 -14.9535 -14.9535 -10.2286 -10.2285 -10.1098 -10.1097 -9.2067 -9.2065 -9.0289 -9.0286 -8.9667 -8.9666 -8.8875 -8.8875 -5.3864 -5.3864 -3.3647 -3.3647 -3.0920 -3.0917 -3.0739 -3.0736 -0.2158 -0.2150 -0.2035 -0.2027 -0.0829 -0.0829 2.0596 2.0616 2.0839 2.0859 2.2752 2.2752 2.6592 2.6592 2.6604 2.6604 3.5371 3.5372 3.5423 3.5424 3.8604 3.8613 3.9320 3.9343 3.9833 3.9849 4.0360 4.0362 7.9914 7.9914 9.9216 9.9216 10.3639 10.3639 11.9189 11.9192 11.9581 11.9584 12.8410 12.8412 k = 0.0893 0.0515-0.0000 ( 4987 PWs) bands (ev): -27.4806 -27.4806 -27.4379 -27.4379 -21.5956 -21.5956 -16.0383 -16.0382 -16.0354 -16.0353 -15.0332 -15.0330 -15.0197 -15.0196 -14.9538 -14.9538 -10.2282 -10.2280 -10.1106 -10.1104 -9.2063 -9.2058 -9.0304 -9.0298 -8.9664 -8.9664 -8.8880 -8.8879 -5.3833 -5.3832 -3.3648 -3.3648 -3.0948 -3.0942 -3.0769 -3.0763 -0.2136 -0.2123 -0.2007 -0.1994 -0.0817 -0.0817 2.0515 2.0549 2.0763 2.0798 2.2933 2.2933 2.6570 2.6571 2.6589 2.6590 3.5392 3.5392 3.5471 3.5471 3.8514 3.8530 3.9226 3.9260 3.9864 3.9886 4.0346 4.0350 7.9893 7.9893 9.9421 9.9421 10.3781 10.3781 11.9077 11.9081 11.9568 11.9571 12.8182 12.8186 k = 0.1071 0.0619-0.0000 ( 4987 PWs) bands (ev): -27.4803 -27.4803 -27.4382 -27.4382 -21.5957 -21.5957 -16.0385 -16.0385 -16.0357 -16.0356 -15.0325 -15.0322 -15.0192 -15.0189 -14.9541 -14.9541 -10.2278 -10.2275 -10.1115 -10.1112 -9.2058 -9.2050 -9.0322 -9.0312 -8.9662 -8.9661 -8.8886 -8.8885 -5.3796 -5.3795 -3.3648 -3.3648 -3.0982 -3.0972 -3.0804 -3.0795 -0.2112 -0.2091 -0.1973 -0.1952 -0.0803 -0.0802 2.0425 2.0478 2.0677 2.0730 2.3138 2.3138 2.6546 2.6546 2.6572 2.6572 3.5416 3.5416 3.5527 3.5527 3.8415 3.8440 3.9099 3.9145 3.9902 3.9929 4.0335 4.0340 7.9868 7.9868 9.9667 9.9668 10.3953 10.3953 11.8935 11.8941 11.9549 11.9553 12.7924 12.7932 k = 0.1250 0.0722-0.0000 ( 4979 PWs) bands (ev): -27.4799 -27.4799 -27.4386 -27.4386 -21.5958 -21.5958 -16.0388 -16.0387 -16.0360 -16.0359 -15.0317 -15.0313 -15.0185 -15.0180 -14.9543 -14.9543 -10.2274 -10.2268 -10.1126 -10.1121 -9.2053 -9.2040 -9.0344 -9.0328 -8.9658 -8.9657 -8.8893 -8.8892 -5.3753 -5.3751 -3.3649 -3.3649 -3.1021 -3.1005 -3.0845 -3.0830 -0.2086 -0.2057 -0.1930 -0.1901 -0.0785 -0.0784 2.0330 2.0406 2.0582 2.0657 2.3362 2.3362 2.6517 2.6518 2.6552 2.6552 3.5443 3.5444 3.5592 3.5592 3.8310 3.8347 3.8943 3.9002 3.9939 3.9969 4.0330 4.0337 7.9839 7.9839 9.9954 9.9955 10.4153 10.4153 11.8770 11.8775 11.9517 11.9519 12.7644 12.7659 k = 0.1429 0.0825-0.0000 ( 4973 PWs) bands (ev): -27.4794 -27.4794 -27.4391 -27.4391 -21.5958 -21.5958 -16.0392 -16.0391 -16.0364 -16.0363 -15.0309 -15.0302 -15.0177 -15.0170 -14.9546 -14.9546 -10.2268 -10.2261 -10.1139 -10.1131 -9.2047 -9.2028 -9.0368 -9.0346 -8.9654 -8.9653 -8.8901 -8.8900 -5.3705 -5.3703 -3.3650 -3.3650 -3.1065 -3.1043 -3.0892 -3.0870 -0.2059 -0.2023 -0.1878 -0.1842 -0.0764 -0.0763 2.0231 2.0335 2.0478 2.0581 2.3603 2.3604 2.6487 2.6487 2.6529 2.6530 3.5474 3.5474 3.5663 3.5663 3.8198 3.8251 3.8761 3.8838 3.9968 3.9999 4.0336 4.0343 7.9806 7.9806 10.0278 10.0279 10.4380 10.4381 11.8584 11.8590 11.9459 11.9461 12.7350 12.7375 k = 0.1607 0.0928-0.0000 ( 4981 PWs) bands (ev): -27.4789 -27.4789 -27.4396 -27.4396 -21.5959 -21.5959 -16.0396 -16.0394 -16.0368 -16.0367 -15.0301 -15.0292 -15.0169 -15.0160 -14.9550 -14.9550 -10.2262 -10.2252 -10.1154 -10.1143 -9.2040 -9.2014 -9.0396 -9.0365 -8.9650 -8.9647 -8.8910 -8.8909 -5.3652 -5.3650 -3.3650 -3.3650 -3.1114 -3.1083 -3.0943 -3.0913 -0.2031 -0.1990 -0.1818 -0.1776 -0.0742 -0.0740 2.0128 2.0265 2.0367 2.0502 2.3858 2.3861 2.6454 2.6455 2.6505 2.6506 3.5507 3.5507 3.5739 3.5739 3.8076 3.8152 3.8559 3.8657 3.9984 4.0014 4.0356 4.0361 7.9770 7.9770 10.0636 10.0638 10.4634 10.4635 11.8384 11.8390 11.9367 11.9368 12.7040 12.7083 k = 0.1786 0.1031-0.0000 ( 4982 PWs) bands (ev): -27.4784 -27.4784 -27.4401 -27.4401 -21.5960 -21.5960 -16.0400 -16.0397 -16.0373 -16.0371 -15.0292 -15.0280 -15.0160 -15.0148 -14.9554 -14.9553 -10.2256 -10.2242 -10.1170 -10.1156 -9.2033 -9.1998 -9.0427 -9.0386 -8.9644 -8.9641 -8.8920 -8.8918 -5.3596 -5.3593 -3.3651 -3.3651 -3.1167 -3.1126 -3.0998 -3.0958 -0.2003 -0.1957 -0.1749 -0.1703 -0.0717 -0.0714 2.0020 2.0193 2.0254 2.0424 2.4128 2.4131 2.6420 2.6421 2.6479 2.6480 3.5542 3.5543 3.5820 3.5820 3.7940 3.8047 3.8341 3.8471 3.9985 4.0012 4.0389 4.0392 7.9732 7.9732 10.1026 10.1028 10.4911 10.4912 11.8171 11.8177 11.9230 11.9235 12.6692 12.6759 k = 0.1964 0.1134-0.0000 ( 4976 PWs) bands (ev): -27.4778 -27.4778 -27.4407 -27.4407 -21.5961 -21.5961 -16.0404 -16.0401 -16.0377 -16.0375 -15.0283 -15.0268 -15.0151 -15.0135 -14.9557 -14.9556 -10.2248 -10.2230 -10.1188 -10.1170 -9.2025 -9.1980 -9.0461 -9.0409 -8.9638 -8.9634 -8.8931 -8.8929 -5.3537 -5.3533 -3.3652 -3.3652 -3.1223 -3.1171 -3.1056 -3.1006 -0.1974 -0.1926 -0.1673 -0.1623 -0.0690 -0.0686 1.9908 2.0097 2.0162 2.0348 2.4410 2.4414 2.6385 2.6386 2.6452 2.6453 3.5579 3.5580 3.5904 3.5904 3.7779 3.7919 3.8129 3.8290 3.9975 3.9998 4.0433 4.0433 7.9692 7.9692 10.1443 10.1446 10.5210 10.5212 11.7950 11.7955 11.9046 11.9054 12.6279 12.6352 k = 0.2143 0.1237-0.0000 ( 4986 PWs) bands (ev): -27.4771 -27.4771 -27.4413 -27.4413 -21.5962 -21.5962 -16.0408 -16.0405 -16.0382 -16.0379 -15.0275 -15.0257 -15.0141 -15.0122 -14.9562 -14.9560 -10.2239 -10.2218 -10.1207 -10.1185 -9.2016 -9.1961 -9.0496 -9.0433 -8.9631 -8.9626 -8.8943 -8.8940 -5.3476 -5.3471 -3.3653 -3.3653 -3.1282 -3.1218 -3.1117 -3.1056 -0.1946 -0.1896 -0.1592 -0.1539 -0.0661 -0.0656 1.9790 1.9972 2.0099 2.0276 2.4703 2.4709 2.6350 2.6350 2.6424 2.6424 3.5618 3.5618 3.5989 3.5990 3.7585 3.7727 3.7966 3.8126 3.9956 3.9976 4.0480 4.0482 7.9650 7.9650 10.1885 10.1888 10.5530 10.5532 11.7724 11.7728 11.8811 11.8824 12.5826 12.5895 k = 0.2321 0.1340-0.0000 ( 4982 PWs) bands (ev): -27.4764 -27.4764 -27.4420 -27.4420 -21.5964 -21.5964 -16.0413 -16.0409 -16.0387 -16.0383 -15.0266 -15.0245 -15.0131 -15.0108 -14.9565 -14.9563 -10.2230 -10.2204 -10.1227 -10.1201 -9.2006 -9.1940 -9.0534 -9.0458 -8.9623 -8.9618 -8.8956 -8.8953 -5.3413 -5.3407 -3.3654 -3.3654 -3.1342 -3.1265 -3.1180 -3.1107 -0.1917 -0.1867 -0.1505 -0.1451 -0.0631 -0.0624 1.9668 1.9836 2.0046 2.0209 2.5005 2.5013 2.6315 2.6316 2.6395 2.6396 3.5657 3.5657 3.6074 3.6077 3.7356 3.7471 3.7854 3.7987 3.9932 3.9949 4.0529 4.0534 7.9608 7.9608 10.2346 10.2350 10.5868 10.5871 11.7494 11.7497 11.8529 11.8546 12.5371 12.5435 k = 0.2500 0.1443-0.0000 ( 4986 PWs) bands (ev): -27.4757 -27.4757 -27.4428 -27.4428 -21.5965 -21.5965 -16.0418 -16.0414 -16.0391 -16.0387 -15.0257 -15.0234 -15.0120 -15.0095 -14.9568 -14.9566 -10.2220 -10.2189 -10.1249 -10.1219 -9.1995 -9.1917 -9.0574 -9.0485 -8.9614 -8.9609 -8.8969 -8.8966 -5.3350 -5.3343 -3.3655 -3.3655 -3.1402 -3.1312 -3.1245 -3.1158 -0.1890 -0.1840 -0.1415 -0.1359 -0.0600 -0.0591 1.9542 1.9697 2.0000 2.0148 2.5316 2.5325 2.6280 2.6282 2.6366 2.6367 3.5696 3.5697 3.6157 3.6162 3.7097 3.7186 3.7762 3.7869 3.9905 3.9919 4.0579 4.0585 7.9565 7.9565 10.2823 10.2828 10.6222 10.6225 11.7264 11.7266 11.8207 11.8227 12.4927 12.4987 k = 0.2679 0.1546-0.0000 ( 4978 PWs) bands (ev): -27.4749 -27.4749 -27.4435 -27.4435 -21.5966 -21.5966 -16.0423 -16.0418 -16.0396 -16.0391 -15.0249 -15.0223 -15.0109 -15.0081 -14.9571 -14.9569 -10.2209 -10.2173 -10.1271 -10.1237 -9.1983 -9.1893 -9.0614 -9.0513 -8.9604 -8.9599 -8.8983 -8.8979 -5.3286 -5.3279 -3.3656 -3.3656 -3.1463 -3.1359 -3.1310 -3.1210 -0.1864 -0.1814 -0.1322 -0.1266 -0.0568 -0.0557 1.9414 1.9555 1.9958 2.0092 2.5634 2.5645 2.6247 2.6249 2.6337 2.6338 3.5735 3.5736 3.6233 3.6243 3.6821 3.6888 3.7680 3.7767 3.9876 3.9888 4.0628 4.0635 7.9522 7.9522 10.3310 10.3315 10.6590 10.6594 11.7035 11.7035 11.7852 11.7875 12.4500 12.4557 k = 0.2857 0.1650-0.0000 ( 4976 PWs) bands (ev): -27.4741 -27.4741 -27.4443 -27.4443 -21.5967 -21.5967 -16.0427 -16.0423 -16.0400 -16.0395 -15.0242 -15.0214 -15.0098 -15.0068 -14.9574 -14.9571 -10.2197 -10.2157 -10.1294 -10.1255 -9.1970 -9.1869 -9.0655 -9.0542 -8.9594 -8.9588 -8.8997 -8.8993 -5.3223 -5.3216 -3.3657 -3.3657 -3.1522 -3.1406 -3.1374 -3.1262 -0.1839 -0.1791 -0.1228 -0.1171 -0.0537 -0.0523 1.9285 1.9414 1.9920 2.0041 2.5954 2.5968 2.6217 2.6221 2.6310 2.6311 3.5772 3.5775 3.6277 3.6309 3.6557 3.6590 3.7604 3.7676 3.9848 3.9858 4.0675 4.0682 7.9480 7.9480 10.3801 10.3808 10.6970 10.6974 11.6806 11.6807 11.7477 11.7502 12.4092 12.4147 k = 0.3036 0.1753-0.0000 ( 4972 PWs) bands (ev): -27.4733 -27.4733 -27.4451 -27.4451 -21.5968 -21.5968 -16.0432 -16.0427 -16.0403 -16.0399 -15.0234 -15.0205 -15.0087 -15.0055 -14.9576 -14.9573 -10.2184 -10.2140 -10.1317 -10.1275 -9.1955 -9.1844 -9.0696 -9.0572 -8.9583 -8.9577 -8.9012 -8.9008 -5.3162 -5.3154 -3.3658 -3.3658 -3.1579 -3.1453 -3.1435 -3.1312 -0.1815 -0.1769 -0.1134 -0.1077 -0.0506 -0.0490 1.9158 1.9275 1.9887 1.9996 2.6172 2.6181 2.6265 2.6271 2.6313 2.6322 3.5805 3.5812 3.6133 3.6209 3.6450 3.6466 3.7535 3.7594 3.9819 3.9828 4.0720 4.0727 7.9439 7.9439 10.4291 10.4299 10.7359 10.7364 11.6580 11.6583 11.7091 11.7117 12.3709 12.3761 k = 0.3214 0.1856-0.0000 ( 4974 PWs) bands (ev): -27.4725 -27.4725 -27.4459 -27.4459 -21.5969 -21.5969 -16.0436 -16.0432 -16.0407 -16.0402 -15.0227 -15.0197 -15.0076 -15.0043 -14.9578 -14.9575 -10.2170 -10.2123 -10.1341 -10.1295 -9.1939 -9.1820 -9.0735 -9.0602 -8.9572 -8.9565 -8.9027 -8.9022 -5.3104 -5.3095 -3.3659 -3.3659 -3.1634 -3.1507 -3.1484 -3.1362 -0.1793 -0.1750 -0.1041 -0.0984 -0.0476 -0.0457 1.9034 1.9140 1.9858 1.9955 2.6154 2.6156 2.6253 2.6253 2.6624 2.6635 3.5809 3.5831 3.5855 3.5936 3.6502 3.6514 3.7471 3.7521 3.9792 3.9800 4.0762 4.0769 7.9399 7.9399 10.4773 10.4781 10.7757 10.7762 11.6358 11.6360 11.6704 11.6730 12.3354 12.3403 k = 0.3393 0.1959-0.0000 ( 4970 PWs) bands (ev): -27.4717 -27.4717 -27.4467 -27.4467 -21.5970 -21.5970 -16.0440 -16.0436 -16.0410 -16.0405 -15.0220 -15.0191 -15.0065 -15.0032 -14.9580 -14.9576 -10.2156 -10.2106 -10.1364 -10.1315 -9.1922 -9.1796 -9.0773 -9.0634 -8.9560 -8.9554 -8.9041 -8.9037 -5.3048 -5.3039 -3.3660 -3.3660 -3.1685 -3.1564 -3.1525 -3.1409 -0.1772 -0.1732 -0.0950 -0.0893 -0.0449 -0.0426 1.8915 1.9010 1.9833 1.9919 2.6130 2.6131 2.6229 2.6229 2.6952 2.6965 3.5522 3.5559 3.5882 3.5894 3.6567 3.6575 3.7412 3.7455 3.9767 3.9774 4.0801 4.0807 7.9362 7.9362 10.5239 10.5248 10.8159 10.8165 11.6138 11.6139 11.6328 11.6349 12.3033 12.3079 k = 0.3571 0.2062-0.0000 ( 4976 PWs) bands (ev): -27.4708 -27.4708 -27.4476 -27.4476 -21.5971 -21.5971 -16.0444 -16.0440 -16.0412 -16.0408 -15.0214 -15.0186 -15.0054 -15.0022 -14.9581 -14.9577 -10.2141 -10.2090 -10.1386 -10.1336 -9.1903 -9.1774 -9.0808 -9.0666 -8.9548 -8.9542 -8.9056 -8.9052 -5.2996 -5.2987 -3.3661 -3.3661 -3.1731 -3.1621 -3.1560 -3.1454 -0.1754 -0.1717 -0.0863 -0.0806 -0.0424 -0.0399 1.8803 1.8888 1.9811 1.9887 2.6108 2.6108 2.6206 2.6206 2.7277 2.7291 3.5203 3.5239 3.5914 3.5920 3.6628 3.6634 3.7360 3.7395 3.9744 3.9750 4.0836 4.0842 7.9327 7.9327 10.5681 10.5691 10.8566 10.8571 11.5898 11.5923 11.5981 11.5985 12.2752 12.2795 k = 0.3750 0.2165-0.0000 ( 4986 PWs) bands (ev): -27.4700 -27.4700 -27.4484 -27.4484 -21.5972 -21.5972 -16.0448 -16.0444 -16.0415 -16.0411 -15.0209 -15.0182 -15.0044 -15.0014 -14.9582 -14.9578 -10.2125 -10.2075 -10.1406 -10.1356 -9.1883 -9.1755 -9.0839 -9.0698 -8.9536 -8.9531 -8.9070 -8.9066 -5.2949 -5.2940 -3.3661 -3.3661 -3.1773 -3.1673 -3.1591 -3.1495 -0.1737 -0.1705 -0.0781 -0.0724 -0.0403 -0.0374 1.8700 1.8774 1.9793 1.9859 2.6088 2.6088 2.6184 2.6184 2.7595 2.7610 3.4888 3.4921 3.5942 3.5946 3.6683 3.6688 3.7313 3.7343 3.9724 3.9728 4.0867 4.0872 7.9296 7.9296 10.6092 10.6102 10.8973 10.8978 11.5583 11.5625 11.5716 11.5741 12.2517 12.2555 k = 0.3929 0.2268-0.0000 ( 4972 PWs) bands (ev): -27.4693 -27.4693 -27.4491 -27.4491 -21.5973 -21.5973 -16.0451 -16.0447 -16.0417 -16.0413 -15.0203 -15.0179 -15.0034 -15.0007 -14.9582 -14.9579 -10.2110 -10.2061 -10.1425 -10.1376 -9.1862 -9.1738 -9.0866 -9.0730 -8.9525 -8.9520 -8.9083 -8.9079 -5.2906 -5.2898 -3.3662 -3.3662 -3.1809 -3.1721 -3.1618 -3.1534 -0.1722 -0.1694 -0.0703 -0.0647 -0.0385 -0.0353 1.8608 1.8672 1.9778 1.9835 2.6070 2.6070 2.6165 2.6165 2.7902 2.7917 3.4584 3.4613 3.5967 3.5971 3.6732 3.6737 3.7273 3.7298 3.9706 3.9710 4.0895 4.0899 7.9268 7.9268 10.6463 10.6473 10.9378 10.9382 11.5255 11.5291 11.5515 11.5534 12.2332 12.2366 k = 0.4107 0.2371-0.0000 ( 4970 PWs) bands (ev): -27.4685 -27.4685 -27.4499 -27.4499 -21.5973 -21.5973 -16.0454 -16.0451 -16.0418 -16.0415 -15.0198 -15.0177 -15.0025 -15.0001 -14.9582 -14.9579 -10.2094 -10.2049 -10.1441 -10.1396 -9.1841 -9.1726 -9.0886 -9.0761 -8.9514 -8.9510 -8.9095 -8.9092 -5.2869 -5.2862 -3.3663 -3.3663 -3.1839 -3.1764 -3.1640 -3.1568 -0.1709 -0.1685 -0.0633 -0.0578 -0.0372 -0.0336 1.8528 1.8581 1.9767 1.9814 2.6055 2.6056 2.6149 2.6149 2.8190 2.8204 3.4297 3.4323 3.5989 3.5992 3.6774 3.6778 3.7239 3.7259 3.9691 3.9694 4.0918 4.0922 7.9243 7.9243 10.6788 10.6797 10.9774 10.9777 11.4944 11.4975 11.5328 11.5345 12.2200 12.2230 k = 0.4286 0.2474-0.0000 ( 4976 PWs) bands (ev): -27.4679 -27.4679 -27.4505 -27.4505 -21.5974 -21.5974 -16.0456 -16.0453 -16.0419 -16.0417 -15.0193 -15.0176 -15.0018 -14.9997 -14.9582 -14.9579 -10.2080 -10.2040 -10.1453 -10.1414 -9.1819 -9.1719 -9.0900 -9.0792 -8.9505 -8.9501 -8.9106 -8.9103 -5.2838 -5.2832 -3.3663 -3.3663 -3.1863 -3.1802 -3.1657 -3.1599 -0.1698 -0.1678 -0.0571 -0.0516 -0.0365 -0.0326 1.8461 1.8504 1.9759 1.9796 2.6043 2.6043 2.6135 2.6135 2.8452 2.8465 3.4037 3.4059 3.6008 3.6010 3.6809 3.6812 3.7212 3.7227 3.9678 3.9681 4.0938 4.0941 7.9223 7.9223 10.7060 10.7068 11.0151 11.0154 11.4653 11.4679 11.5161 11.5176 12.2121 12.2144 k = 0.4464 0.2577-0.0000 ( 4970 PWs) bands (ev): -27.4673 -27.4673 -27.4511 -27.4511 -21.5974 -21.5974 -16.0457 -16.0456 -16.0420 -16.0418 -15.0189 -15.0176 -15.0011 -14.9995 -14.9581 -14.9579 -10.2066 -10.2034 -10.1462 -10.1430 -9.1798 -9.1717 -9.0908 -9.0820 -8.9496 -8.9494 -8.9115 -8.9112 -5.2813 -5.2808 -3.3664 -3.3664 -3.1880 -3.1834 -3.1668 -3.1624 -0.1688 -0.1674 -0.0517 -0.0463 -0.0364 -0.0322 1.8409 1.8441 1.9753 1.9781 2.6034 2.6034 2.6124 2.6124 2.8677 2.8688 3.3814 3.3832 3.6022 3.6024 3.6836 3.6838 3.7190 3.7202 3.9669 3.9671 4.0953 4.0955 7.9207 7.9207 10.7275 10.7282 11.0495 11.0497 11.4389 11.4410 11.5023 11.5034 12.2087 12.2104 k = 0.4643 0.2681-0.0000 ( 4958 PWs) bands (ev): -27.4669 -27.4669 -27.4515 -27.4515 -21.5975 -21.5975 -16.0458 -16.0457 -16.0421 -16.0419 -15.0185 -15.0176 -15.0005 -14.9994 -14.9581 -14.9579 -10.2053 -10.2031 -10.1467 -10.1444 -9.1777 -9.1720 -9.0907 -9.0846 -8.9490 -8.9488 -8.9121 -8.9119 -5.2795 -5.2792 -3.3664 -3.3664 -3.1890 -3.1859 -3.1675 -3.1645 -0.1681 -0.1671 -0.0471 -0.0418 -0.0368 -0.0324 1.8373 1.8395 1.9751 1.9769 2.6027 2.6027 2.6116 2.6116 2.8852 2.8861 3.3642 3.3654 3.6033 3.6034 3.6856 3.6857 3.7176 3.7183 3.9663 3.9664 4.0964 4.0966 7.9195 7.9195 10.7431 10.7436 11.0782 11.0783 11.4167 11.4182 11.4919 11.4927 12.2086 12.2097 k = 0.4821 0.2784-0.0000 ( 4962 PWs) bands (ev): -27.4666 -27.4666 -27.4518 -27.4518 -21.5975 -21.5975 -16.0459 -16.0458 -16.0421 -16.0420 -15.0182 -15.0177 -15.0000 -14.9995 -14.9581 -14.9580 -10.2043 -10.2032 -10.1467 -10.1455 -9.1758 -9.1729 -9.0900 -9.0869 -8.9486 -8.9485 -8.9125 -8.9124 -5.2783 -5.2782 -3.3664 -3.3664 -3.1893 -3.1877 -3.1675 -3.1660 -0.1675 -0.1671 -0.0433 -0.0390 -0.0374 -0.0334 1.8353 1.8364 1.9751 1.9760 2.6023 2.6023 2.6111 2.6111 2.8966 2.8970 3.3533 3.3539 3.6039 3.6040 3.6868 3.6868 3.7168 3.7171 3.9659 3.9659 4.0971 4.0972 7.9188 7.9188 10.7526 10.7528 11.0979 11.0979 11.4014 11.4022 11.4856 11.4860 12.2099 12.2105 k = 0.5000 0.2887-0.0000 ( 4966 PWs) bands (ev): -27.4665 -27.4665 -27.4519 -27.4519 -21.5975 -21.5975 -16.0459 -16.0459 -16.0421 -16.0421 -15.0179 -15.0179 -14.9997 -14.9997 -14.9581 -14.9581 -10.2036 -10.2036 -10.1463 -10.1463 -9.1742 -9.1742 -9.0887 -9.0887 -8.9484 -8.9484 -8.9126 -8.9126 -5.2779 -5.2779 -3.3664 -3.3664 -3.1889 -3.1889 -3.1671 -3.1671 -0.1672 -0.1672 -0.0405 -0.0405 -0.0352 -0.0352 1.8350 1.8350 1.9754 1.9754 2.6022 2.6022 2.6109 2.6109 2.9006 2.9006 3.3498 3.3498 3.6042 3.6042 3.6872 3.6872 3.7166 3.7166 3.9658 3.9658 4.0973 4.0973 7.9186 7.9186 10.7558 10.7558 11.1050 11.1050 11.3960 11.3960 11.4836 11.4836 12.2109 12.2109 k = 0.5000 0.2887-0.0000 ( 4966 PWs) bands (ev): -27.4665 -27.4665 -27.4519 -27.4519 -21.5975 -21.5975 -16.0459 -16.0459 -16.0421 -16.0421 -15.0179 -15.0179 -14.9997 -14.9997 -14.9581 -14.9581 -10.2036 -10.2036 -10.1463 -10.1463 -9.1742 -9.1742 -9.0887 -9.0887 -8.9484 -8.9484 -8.9126 -8.9126 -5.2779 -5.2779 -3.3664 -3.3664 -3.1889 -3.1889 -3.1671 -3.1671 -0.1672 -0.1672 -0.0405 -0.0405 -0.0352 -0.0352 1.8350 1.8350 1.9754 1.9754 2.6022 2.6022 2.6109 2.6109 2.9006 2.9006 3.3498 3.3498 3.6042 3.6042 3.6872 3.6872 3.7166 3.7166 3.9658 3.9658 4.0973 4.0973 7.9186 7.9186 10.7558 10.7558 11.1050 11.1050 11.3960 11.3960 11.4836 11.4836 12.2109 12.2109 k = 0.4896 0.3067-0.0000 ( 4962 PWs) bands (ev): -27.4665 -27.4665 -27.4519 -27.4519 -21.5975 -21.5975 -16.0459 -16.0459 -16.0421 -16.0421 -15.0181 -15.0181 -14.9993 -14.9993 -14.9581 -14.9581 -10.2035 -10.2035 -10.1464 -10.1464 -9.1740 -9.1740 -9.0889 -9.0889 -8.9483 -8.9483 -8.9127 -8.9127 -5.2778 -5.2778 -3.3664 -3.3664 -3.1889 -3.1889 -3.1672 -3.1672 -0.1667 -0.1667 -0.0406 -0.0406 -0.0354 -0.0354 1.8353 1.8353 1.9748 1.9748 2.6022 2.6022 2.6109 2.6109 2.9017 2.9017 3.3491 3.3491 3.6023 3.6023 3.6895 3.6895 3.7161 3.7161 3.9654 3.9654 4.0975 4.0975 7.9185 7.9185 10.7555 10.7555 11.1056 11.1056 11.3953 11.3953 11.4848 11.4848 12.2098 12.2098 k = 0.4792 0.3248-0.0000 ( 4962 PWs) bands (ev): -27.4664 -27.4664 -27.4520 -27.4520 -21.5975 -21.5975 -16.0459 -16.0459 -16.0421 -16.0421 -15.0188 -15.0188 -14.9985 -14.9985 -14.9582 -14.9582 -10.2031 -10.2031 -10.1468 -10.1468 -9.1736 -9.1736 -9.0895 -9.0895 -8.9481 -8.9481 -8.9129 -8.9129 -5.2775 -5.2775 -3.3664 -3.3664 -3.1892 -3.1892 -3.1676 -3.1676 -0.1650 -0.1650 -0.0409 -0.0409 -0.0357 -0.0357 1.8360 1.8360 1.9731 1.9731 2.6022 2.6022 2.6108 2.6108 2.9049 2.9049 3.3471 3.3471 3.5972 3.5972 3.6960 3.6960 3.7146 3.7146 3.9643 3.9643 4.0980 4.0980 7.9183 7.9183 10.7545 10.7545 11.1073 11.1073 11.3930 11.3930 11.4884 11.4884 12.2067 12.2067 k = 0.4688 0.3428-0.0000 ( 4962 PWs) bands (ev): -27.4662 -27.4662 -27.4521 -27.4521 -21.5975 -21.5975 -16.0459 -16.0459 -16.0422 -16.0422 -15.0197 -15.0197 -14.9972 -14.9972 -14.9585 -14.9585 -10.2026 -10.2026 -10.1475 -10.1475 -9.1728 -9.1728 -9.0904 -9.0904 -8.9476 -8.9476 -8.9133 -8.9133 -5.2770 -5.2770 -3.3664 -3.3664 -3.1895 -3.1895 -3.1683 -3.1683 -0.1624 -0.1624 -0.0414 -0.0414 -0.0364 -0.0364 1.8371 1.8371 1.9703 1.9703 2.6021 2.6021 2.6106 2.6106 2.9101 2.9101 3.3438 3.3438 3.5902 3.5902 3.7052 3.7052 3.7123 3.7123 3.9624 3.9624 4.0988 4.0988 7.9180 7.9180 10.7529 10.7529 11.1102 11.1102 11.3894 11.3894 11.4941 11.4941 12.2019 12.2019 k = 0.4583 0.3608-0.0000 ( 4958 PWs) bands (ev): -27.4660 -27.4660 -27.4523 -27.4523 -21.5975 -21.5975 -16.0458 -16.0458 -16.0423 -16.0423 -15.0208 -15.0208 -14.9956 -14.9956 -14.9588 -14.9588 -10.2018 -10.2018 -10.1483 -10.1483 -9.1718 -9.1718 -9.0917 -9.0917 -8.9471 -8.9471 -8.9138 -8.9138 -5.2763 -5.2763 -3.3664 -3.3664 -3.1900 -3.1900 -3.1692 -3.1692 -0.1587 -0.1587 -0.0422 -0.0422 -0.0372 -0.0372 1.8387 1.8387 1.9664 1.9664 2.6021 2.6021 2.6104 2.6104 2.9174 2.9174 3.3390 3.3390 3.5822 3.5822 3.7082 3.7082 3.7172 3.7172 3.9598 3.9598 4.0998 4.0998 7.9176 7.9176 10.7508 10.7508 11.1143 11.1143 11.3847 11.3847 11.5015 11.5015 12.1959 12.1959 k = 0.4479 0.3789-0.0000 ( 4968 PWs) bands (ev): -27.4657 -27.4657 -27.4526 -27.4526 -21.5975 -21.5975 -16.0458 -16.0458 -16.0424 -16.0424 -15.0220 -15.0220 -14.9938 -14.9938 -14.9593 -14.9593 -10.2007 -10.2007 -10.1495 -10.1495 -9.1704 -9.1704 -9.0933 -9.0933 -8.9463 -8.9463 -8.9145 -8.9145 -5.2755 -5.2755 -3.3665 -3.3665 -3.1906 -3.1906 -3.1704 -3.1704 -0.1541 -0.1541 -0.0432 -0.0432 -0.0383 -0.0383 1.8407 1.8407 1.9615 1.9615 2.6021 2.6021 2.6102 2.6102 2.9267 2.9267 3.3328 3.3328 3.5739 3.5739 3.7043 3.7043 3.7295 3.7295 3.9565 3.9565 4.1010 4.1010 7.9170 7.9170 10.7484 10.7484 11.1194 11.1194 11.3790 11.3790 11.5104 11.5104 12.1891 12.1891 k = 0.4375 0.3969-0.0000 ( 4972 PWs) bands (ev): -27.4654 -27.4654 -27.4530 -27.4530 -21.5976 -21.5976 -16.0457 -16.0457 -16.0425 -16.0425 -15.0231 -15.0231 -14.9918 -14.9918 -14.9599 -14.9599 -10.1995 -10.1995 -10.1508 -10.1508 -9.1688 -9.1688 -9.0952 -9.0952 -8.9455 -8.9455 -8.9154 -8.9154 -5.2745 -5.2745 -3.3665 -3.3665 -3.1913 -3.1913 -3.1717 -3.1717 -0.1486 -0.1486 -0.0444 -0.0444 -0.0396 -0.0396 1.8431 1.8431 1.9558 1.9558 2.6021 2.6021 2.6098 2.6098 2.9380 2.9380 3.3249 3.3249 3.5658 3.5658 3.6999 3.6999 3.7426 3.7426 3.9523 3.9523 4.1024 4.1024 7.9163 7.9163 10.7458 10.7458 11.1256 11.1256 11.3724 11.3724 11.5202 11.5202 12.1823 12.1823 k = 0.4271 0.4150-0.0000 ( 4970 PWs) bands (ev): -27.4650 -27.4650 -27.4534 -27.4534 -21.5976 -21.5976 -16.0457 -16.0457 -16.0427 -16.0427 -15.0242 -15.0242 -14.9897 -14.9897 -14.9606 -14.9606 -10.1981 -10.1981 -10.1523 -10.1523 -9.1670 -9.1670 -9.0974 -9.0974 -8.9444 -8.9444 -8.9164 -8.9164 -5.2734 -5.2734 -3.3665 -3.3665 -3.1921 -3.1921 -3.1732 -3.1732 -0.1423 -0.1423 -0.0460 -0.0460 -0.0411 -0.0411 1.8459 1.8459 1.9494 1.9494 2.6020 2.6020 2.6094 2.6094 2.9511 2.9511 3.3153 3.3153 3.5581 3.5581 3.6951 3.6951 3.7562 3.7562 3.9475 3.9475 4.1039 4.1039 7.9156 7.9156 10.7432 10.7432 11.1328 11.1328 11.3649 11.3649 11.5308 11.5308 12.1761 12.1761 k = 0.4167 0.4330-0.0000 ( 4980 PWs) bands (ev): -27.4646 -27.4646 -27.4538 -27.4538 -21.5976 -21.5976 -16.0456 -16.0456 -16.0429 -16.0429 -15.0253 -15.0253 -14.9877 -14.9877 -14.9613 -14.9613 -10.1965 -10.1965 -10.1541 -10.1541 -9.1650 -9.1650 -9.0998 -9.0998 -8.9433 -8.9433 -8.9175 -8.9175 -5.2722 -5.2722 -3.3665 -3.3665 -3.1929 -3.1929 -3.1747 -3.1747 -0.1354 -0.1354 -0.0479 -0.0479 -0.0427 -0.0427 1.8491 1.8491 1.9425 1.9425 2.6020 2.6020 2.6089 2.6089 2.9661 2.9661 3.3039 3.3039 3.5511 3.5511 3.6903 3.6903 3.7700 3.7700 3.9419 3.9419 4.1054 4.1054 7.9148 7.9148 10.7408 10.7408 11.1411 11.1411 11.3565 11.3565 11.5416 11.5416 12.1711 12.1711 k = 0.4062 0.4511-0.0000 ( 4980 PWs) bands (ev): -27.4641 -27.4641 -27.4543 -27.4543 -21.5976 -21.5976 -16.0456 -16.0456 -16.0431 -16.0431 -15.0263 -15.0263 -14.9856 -14.9856 -14.9622 -14.9622 -10.1948 -10.1948 -10.1560 -10.1560 -9.1628 -9.1628 -9.1024 -9.1024 -8.9420 -8.9420 -8.9187 -8.9187 -5.2710 -5.2710 -3.3666 -3.3666 -3.1937 -3.1937 -3.1763 -3.1763 -0.1279 -0.1279 -0.0500 -0.0500 -0.0444 -0.0444 1.8526 1.8526 1.9351 1.9351 2.6021 2.6021 2.6084 2.6084 2.9828 2.9828 3.2906 3.2906 3.5448 3.5448 3.6856 3.6856 3.7838 3.7838 3.9355 3.9355 4.1069 4.1069 7.9140 7.9140 10.7386 10.7386 11.1503 11.1503 11.3473 11.3473 11.5524 11.5524 12.1678 12.1678 k = 0.3958 0.4691-0.0000 ( 4984 PWs) bands (ev): -27.4635 -27.4635 -27.4549 -27.4549 -21.5977 -21.5977 -16.0455 -16.0455 -16.0432 -16.0432 -15.0271 -15.0271 -14.9835 -14.9835 -14.9631 -14.9631 -10.1929 -10.1929 -10.1580 -10.1580 -9.1604 -9.1604 -9.1052 -9.1052 -8.9407 -8.9407 -8.9200 -8.9200 -5.2699 -5.2699 -3.3666 -3.3666 -3.1945 -3.1945 -3.1779 -3.1779 -0.1200 -0.1200 -0.0526 -0.0526 -0.0463 -0.0463 1.8564 1.8564 1.9275 1.9275 2.6021 2.6021 2.6078 2.6078 3.0012 3.0012 3.2753 3.2753 3.5393 3.5393 3.6812 3.6812 3.7974 3.7974 3.9285 3.9285 4.1084 4.1084 7.9133 7.9133 10.7369 10.7369 11.1606 11.1606 11.3370 11.3370 11.5628 11.5628 12.1667 12.1667 k = 0.3854 0.4871-0.0000 ( 4974 PWs) bands (ev): -27.4629 -27.4629 -27.4555 -27.4555 -21.5977 -21.5977 -16.0455 -16.0455 -16.0434 -16.0434 -15.0278 -15.0278 -14.9815 -14.9815 -14.9641 -14.9641 -10.1909 -10.1909 -10.1601 -10.1601 -9.1580 -9.1580 -9.1079 -9.1079 -8.9392 -8.9392 -8.9215 -8.9215 -5.2687 -5.2687 -3.3666 -3.3666 -3.1953 -3.1953 -3.1794 -3.1794 -0.1119 -0.1119 -0.0554 -0.0554 -0.0482 -0.0482 1.8604 1.8604 1.9198 1.9198 2.6022 2.6022 2.6072 2.6072 3.0212 3.0212 3.2581 3.2581 3.5347 3.5347 3.6773 3.6773 3.8109 3.8109 3.9208 3.9208 4.1097 4.1097 7.9125 7.9125 10.7356 10.7356 11.1720 11.1720 11.3257 11.3257 11.5725 11.5725 12.1680 12.1680 k = 0.3750 0.5052-0.0000 ( 4978 PWs) bands (ev): -27.4622 -27.4622 -27.4561 -27.4561 -21.5977 -21.5977 -16.0454 -16.0454 -16.0436 -16.0436 -15.0284 -15.0284 -14.9796 -14.9796 -14.9652 -14.9652 -10.1888 -10.1888 -10.1623 -10.1623 -9.1556 -9.1556 -9.1107 -9.1107 -8.9377 -8.9377 -8.9230 -8.9230 -5.2677 -5.2677 -3.3666 -3.3666 -3.1960 -3.1960 -3.1808 -3.1808 -0.1036 -0.1036 -0.0586 -0.0586 -0.0502 -0.0502 1.8647 1.8647 1.9123 1.9123 2.6024 2.6024 2.6065 2.6065 3.0426 3.0426 3.2389 3.2389 3.5309 3.5309 3.6741 3.6741 3.8241 3.8241 3.9124 3.9124 4.1108 4.1108 7.9118 7.9118 10.7348 10.7348 11.1846 11.1846 11.3133 11.3133 11.5810 11.5810 12.1720 12.1720 k = 0.3646 0.5232-0.0000 ( 4978 PWs) bands (ev): -27.4615 -27.4615 -27.4568 -27.4568 -21.5977 -21.5977 -16.0454 -16.0454 -16.0437 -16.0437 -15.0288 -15.0288 -14.9778 -14.9778 -14.9663 -14.9663 -10.1869 -10.1869 -10.1644 -10.1644 -9.1534 -9.1534 -9.1132 -9.1132 -8.9361 -8.9361 -8.9246 -8.9246 -5.2668 -5.2668 -3.3666 -3.3666 -3.1966 -3.1966 -3.1819 -3.1819 -0.0955 -0.0955 -0.0621 -0.0621 -0.0522 -0.0522 1.8691 1.8691 1.9051 1.9051 2.6027 2.6027 2.6059 2.6059 3.0655 3.0655 3.2177 3.2177 3.5281 3.5281 3.6715 3.6715 3.8370 3.8370 3.9033 3.9033 4.1118 4.1118 7.9113 7.9113 10.7345 10.7345 11.1984 11.1984 11.2996 11.2996 11.5881 11.5881 12.1789 12.1789 k = 0.3542 0.5413-0.0000 ( 4988 PWs) bands (ev): -27.4608 -27.4608 -27.4576 -27.4576 -21.5977 -21.5977 -16.0453 -16.0453 -16.0438 -16.0438 -15.0291 -15.0291 -14.9763 -14.9763 -14.9673 -14.9673 -10.1850 -10.1850 -10.1662 -10.1662 -9.1515 -9.1515 -9.1153 -9.1153 -8.9345 -8.9345 -8.9261 -8.9261 -5.2661 -5.2661 -3.3667 -3.3667 -3.1971 -3.1971 -3.1828 -3.1828 -0.0879 -0.0879 -0.0658 -0.0658 -0.0542 -0.0542 1.8735 1.8735 1.8985 1.8985 2.6030 2.6030 2.6052 2.6052 3.0896 3.0896 3.1948 3.1948 3.5261 3.5261 3.6696 3.6696 3.8493 3.8493 3.8937 3.8937 4.1125 4.1125 7.9108 7.9108 10.7345 10.7345 11.2136 11.2136 11.2846 11.2846 11.5935 11.5935 12.1886 12.1886 k = 0.3438 0.5593-0.0000 ( 4990 PWs) bands (ev): -27.4600 -27.4600 -27.4584 -27.4584 -21.5977 -21.5977 -16.0453 -16.0453 -16.0439 -16.0439 -15.0294 -15.0294 -14.9752 -14.9752 -14.9682 -14.9682 -10.1837 -10.1837 -10.1676 -10.1676 -9.1502 -9.1502 -9.1167 -9.1167 -8.9331 -8.9331 -8.9276 -8.9276 -5.2657 -5.2657 -3.3667 -3.3667 -3.1974 -3.1974 -3.1834 -3.1834 -0.0811 -0.0811 -0.0696 -0.0696 -0.0559 -0.0559 1.8774 1.8774 1.8932 1.8932 2.6034 2.6034 2.6045 2.6045 3.1147 3.1147 3.1704 3.1704 3.5249 3.5249 3.6684 3.6684 3.8612 3.8612 3.8834 3.8834 4.1129 4.1129 7.9105 7.9105 10.7347 10.7347 11.2301 11.2301 11.2681 11.2681 11.5968 11.5968 12.2009 12.2009 k = 0.3333 0.5774-0.0000 ( 4998 PWs) bands (ev): -27.4592 -27.4592 -27.4592 -27.4592 -21.5978 -21.5978 -16.0453 -16.0453 -16.0439 -16.0439 -15.0295 -15.0295 -14.9747 -14.9747 -14.9686 -14.9686 -10.1832 -10.1832 -10.1682 -10.1682 -9.1497 -9.1497 -9.1172 -9.1172 -8.9324 -8.9324 -8.9283 -8.9283 -5.2655 -5.2655 -3.3667 -3.3667 -3.1975 -3.1975 -3.1836 -3.1836 -0.0775 -0.0775 -0.0719 -0.0719 -0.0568 -0.0568 1.8793 1.8793 1.8908 1.8908 2.6039 2.6039 2.6039 2.6039 3.1349 3.1349 3.1504 3.1504 3.5245 3.5245 3.6681 3.6681 3.8723 3.8723 3.8728 3.8728 4.1130 4.1130 7.9104 7.9104 10.7348 10.7348 11.2447 11.2447 11.2536 11.2536 11.5979 11.5979 12.2123 12.2124 k = 0.3333 0.5774-0.0000 ( 4998 PWs) bands (ev): -27.4592 -27.4592 -27.4592 -27.4592 -21.5978 -21.5978 -16.0453 -16.0453 -16.0439 -16.0439 -15.0295 -15.0295 -14.9747 -14.9747 -14.9686 -14.9686 -10.1832 -10.1832 -10.1682 -10.1682 -9.1497 -9.1497 -9.1172 -9.1172 -8.9324 -8.9324 -8.9283 -8.9283 -5.2655 -5.2655 -3.3667 -3.3667 -3.1975 -3.1975 -3.1836 -3.1836 -0.0775 -0.0775 -0.0719 -0.0719 -0.0568 -0.0568 1.8793 1.8793 1.8908 1.8908 2.6039 2.6039 2.6039 2.6039 3.1349 3.1349 3.1504 3.1504 3.5245 3.5245 3.6681 3.6681 3.8723 3.8723 3.8728 3.8728 4.1130 4.1130 7.9104 7.9104 10.7348 10.7348 11.2447 11.2447 11.2536 11.2536 11.5979 11.5979 12.2123 12.2124 k = 0.3229 0.5593-0.0000 ( 4994 PWs) bands (ev): -27.4600 -27.4600 -27.4583 -27.4583 -21.5977 -21.5977 -16.0453 -16.0453 -16.0439 -16.0439 -15.0294 -15.0294 -14.9752 -14.9752 -14.9682 -14.9682 -10.1837 -10.1837 -10.1676 -10.1676 -9.1502 -9.1502 -9.1167 -9.1167 -8.9331 -8.9331 -8.9275 -8.9275 -5.2657 -5.2657 -3.3667 -3.3667 -3.1974 -3.1974 -3.1834 -3.1834 -0.0803 -0.0803 -0.0709 -0.0709 -0.0555 -0.0555 1.8777 1.8777 1.8930 1.8930 2.6034 2.6034 2.6045 2.6045 3.1135 3.1135 3.1717 3.1717 3.5249 3.5249 3.6684 3.6684 3.8613 3.8613 3.8834 3.8834 4.1129 4.1129 7.9105 7.9105 10.7345 10.7345 11.2283 11.2283 11.2699 11.2699 11.5968 11.5968 12.2004 12.2004 k = 0.3125 0.5413-0.0000 ( 4988 PWs) bands (ev): -27.4609 -27.4609 -27.4575 -27.4575 -21.5977 -21.5977 -16.0453 -16.0453 -16.0438 -16.0438 -15.0292 -15.0292 -14.9763 -14.9763 -14.9674 -14.9674 -10.1852 -10.1852 -10.1661 -10.1661 -9.1516 -9.1516 -9.1151 -9.1151 -8.9347 -8.9347 -8.9260 -8.9260 -5.2663 -5.2663 -3.3667 -3.3667 -3.1970 -3.1970 -3.1828 -3.1828 -0.0848 -0.0848 -0.0715 -0.0715 -0.0519 -0.0519 1.8750 1.8750 1.8973 1.8973 2.6030 2.6030 2.6053 2.6053 3.0844 3.0844 3.2001 3.2001 3.5259 3.5259 3.6695 3.6695 3.8494 3.8494 3.8936 3.8936 4.1124 4.1124 7.9109 7.9109 10.7334 10.7334 11.2062 11.2062 11.2919 11.2919 11.5936 11.5936 12.1870 12.1870 k = 0.3021 0.5232-0.0000 ( 4980 PWs) bands (ev): -27.4618 -27.4618 -27.4566 -27.4566 -21.5977 -21.5977 -16.0453 -16.0453 -16.0437 -16.0437 -15.0289 -15.0289 -14.9778 -14.9778 -14.9663 -14.9663 -10.1872 -10.1872 -10.1639 -10.1639 -9.1538 -9.1538 -9.1127 -9.1127 -8.9364 -8.9364 -8.9242 -8.9242 -5.2672 -5.2672 -3.3666 -3.3666 -3.1962 -3.1962 -3.1817 -3.1817 -0.0898 -0.0898 -0.0736 -0.0736 -0.0475 -0.0475 1.8728 1.8728 1.9023 1.9023 2.6027 2.6027 2.6062 2.6062 3.0538 3.0538 3.2299 3.2299 3.5275 3.5275 3.6713 3.6713 3.8372 3.8372 3.9032 3.9032 4.1116 4.1116 7.9115 7.9115 10.7311 10.7311 11.1816 11.1816 11.3161 11.3161 11.5886 11.5886 12.1760 12.1760 k = 0.2917 0.5052-0.0000 ( 4972 PWs) bands (ev): -27.4627 -27.4627 -27.4556 -27.4556 -21.5977 -21.5977 -16.0453 -16.0453 -16.0436 -16.0436 -15.0286 -15.0286 -14.9795 -14.9795 -14.9653 -14.9653 -10.1896 -10.1896 -10.1614 -10.1614 -9.1564 -9.1564 -9.1096 -9.1096 -8.9383 -8.9383 -8.9223 -8.9223 -5.2686 -5.2686 -3.3666 -3.3666 -3.1951 -3.1951 -3.1801 -3.1801 -0.0950 -0.0950 -0.0764 -0.0764 -0.0433 -0.0433 1.8717 1.8717 1.9076 1.9076 2.6025 2.6025 2.6072 2.6072 3.0220 3.0220 3.2607 3.2607 3.5296 3.5296 3.6737 3.6737 3.8245 3.8245 3.9122 3.9122 4.1105 4.1105 7.9124 7.9124 10.7268 10.7268 11.1547 11.1547 11.3425 11.3425 11.5824 11.5824 12.1682 12.1682 k = 0.2812 0.4871-0.0000 ( 4976 PWs) bands (ev): -27.4637 -27.4637 -27.4547 -27.4547 -21.5976 -21.5976 -16.0452 -16.0452 -16.0434 -16.0434 -15.0282 -15.0282 -14.9814 -14.9814 -14.9643 -14.9643 -10.1921 -10.1921 -10.1587 -10.1587 -9.1594 -9.1594 -9.1061 -9.1061 -8.9402 -8.9402 -8.9203 -8.9203 -5.2704 -5.2704 -3.3666 -3.3666 -3.1936 -3.1936 -3.1781 -3.1781 -0.1005 -0.1005 -0.0797 -0.0797 -0.0398 -0.0398 1.8718 1.8718 1.9130 1.9130 2.6026 2.6026 2.6084 2.6084 2.9891 2.9891 3.2922 3.2922 3.5321 3.5321 3.6768 3.6768 3.8115 3.8115 3.9205 3.9205 4.1090 4.1090 7.9136 7.9136 10.7199 10.7199 11.1253 11.1253 11.3710 11.3710 11.5758 11.5758 12.1640 12.1640 k = 0.2708 0.4691-0.0000 ( 4972 PWs) bands (ev): -27.4646 -27.4646 -27.4538 -27.4538 -21.5976 -21.5976 -16.0451 -16.0451 -16.0432 -16.0432 -15.0278 -15.0278 -14.9834 -14.9834 -14.9633 -14.9633 -10.1947 -10.1947 -10.1558 -10.1558 -9.1625 -9.1625 -9.1024 -9.1024 -8.9421 -8.9421 -8.9184 -8.9184 -5.2728 -5.2728 -3.3665 -3.3665 -3.1917 -3.1917 -3.1757 -3.1757 -0.1061 -0.1061 -0.0834 -0.0834 -0.0370 -0.0370 1.8731 1.8731 1.9185 1.9185 2.6028 2.6028 2.6097 2.6097 2.9555 2.9555 3.3244 3.3244 3.5349 3.5349 3.6805 3.6805 3.7982 3.7982 3.9284 3.9284 4.1072 4.1072 7.9152 7.9152 10.7099 10.7099 11.0936 11.0936 11.4017 11.4017 11.5697 11.5697 12.1638 12.1638 k = 0.2604 0.4511-0.0000 ( 4974 PWs) bands (ev): -27.4656 -27.4656 -27.4528 -27.4528 -21.5975 -21.5975 -16.0450 -16.0450 -16.0430 -16.0430 -15.0273 -15.0273 -14.9854 -14.9854 -14.9625 -14.9625 -10.1973 -10.1973 -10.1529 -10.1529 -9.1658 -9.1658 -9.0984 -9.0984 -8.9440 -8.9440 -8.9164 -8.9164 -5.2756 -5.2756 -3.3665 -3.3665 -3.1893 -3.1893 -3.1729 -3.1729 -0.1119 -0.1119 -0.0873 -0.0873 -0.0351 -0.0351 1.8758 1.8758 1.9241 1.9241 2.6033 2.6033 2.6112 2.6112 2.9211 2.9211 3.3573 3.3573 3.5380 3.5380 3.6847 3.6847 3.7846 3.7846 3.9356 3.9356 4.1050 4.1050 7.9171 7.9171 10.6961 10.6961 11.0595 11.0595 11.4345 11.4345 11.5650 11.5650 12.1676 12.1676 k = 0.2500 0.4330-0.0000 ( 4970 PWs) bands (ev): -27.4665 -27.4665 -27.4518 -27.4518 -21.5975 -21.5975 -16.0449 -16.0449 -16.0428 -16.0428 -15.0268 -15.0268 -14.9876 -14.9876 -14.9617 -14.9617 -10.1998 -10.1998 -10.1500 -10.1500 -9.1690 -9.1690 -9.0943 -9.0943 -8.9459 -8.9459 -8.9145 -8.9145 -5.2789 -5.2789 -3.3664 -3.3664 -3.1865 -3.1865 -3.1696 -3.1696 -0.1178 -0.1178 -0.0914 -0.0914 -0.0341 -0.0341 1.8798 1.8798 1.9297 1.9297 2.6041 2.6041 2.6128 2.6128 2.8863 2.8863 3.3906 3.3906 3.5411 3.5411 3.6895 3.6895 3.7709 3.7709 3.9423 3.9423 4.1025 4.1025 7.9193 7.9193 10.6779 10.6779 11.0234 11.0234 11.4692 11.4692 11.5626 11.5626 12.1756 12.1756 k = 0.2396 0.4150-0.0000 ( 4968 PWs) bands (ev): -27.4675 -27.4675 -27.4509 -27.4509 -21.5974 -21.5974 -16.0447 -16.0447 -16.0425 -16.0425 -15.0264 -15.0264 -14.9897 -14.9897 -14.9610 -14.9610 -10.2023 -10.2023 -10.1471 -10.1471 -9.1721 -9.1721 -9.0901 -9.0901 -8.9477 -8.9477 -8.9125 -8.9125 -5.2827 -5.2827 -3.3664 -3.3664 -3.1831 -3.1831 -3.1659 -3.1659 -0.1238 -0.1238 -0.0958 -0.0958 -0.0340 -0.0340 1.8851 1.8851 1.9353 1.9353 2.6051 2.6051 2.6146 2.6146 2.8510 2.8510 3.4242 3.4242 3.5442 3.5442 3.6948 3.6948 3.7570 3.7570 3.9486 3.9486 4.0997 4.0997 7.9218 7.9218 10.6552 10.6552 10.9855 10.9855 11.5057 11.5057 11.5633 11.5633 12.1877 12.1877 k = 0.2292 0.3969-0.0000 ( 4972 PWs) bands (ev): -27.4685 -27.4685 -27.4499 -27.4499 -21.5973 -21.5973 -16.0444 -16.0444 -16.0422 -16.0422 -15.0260 -15.0260 -14.9920 -14.9920 -14.9604 -14.9604 -10.2047 -10.2047 -10.1442 -10.1442 -9.1752 -9.1752 -9.0858 -9.0858 -8.9495 -8.9495 -8.9106 -8.9106 -5.2870 -5.2870 -3.3663 -3.3663 -3.1794 -3.1794 -3.1619 -3.1619 -0.1298 -0.1298 -0.1005 -0.1005 -0.0347 -0.0347 1.8916 1.8916 1.9410 1.9410 2.6065 2.6065 2.6166 2.6166 2.8155 2.8155 3.4579 3.4579 3.5473 3.5473 3.7006 3.7006 3.7430 3.7430 3.9544 3.9544 4.0965 4.0965 7.9246 7.9246 10.6277 10.6277 10.9462 10.9462 11.5436 11.5436 11.5675 11.5675 12.2039 12.2039 k = 0.2188 0.3789-0.0000 ( 4966 PWs) bands (ev): -27.4694 -27.4694 -27.4490 -27.4490 -21.5972 -21.5972 -16.0442 -16.0442 -16.0419 -16.0419 -15.0256 -15.0256 -14.9942 -14.9942 -14.9598 -14.9598 -10.2071 -10.2071 -10.1414 -10.1414 -9.1782 -9.1782 -9.0816 -9.0816 -8.9512 -8.9512 -8.9087 -8.9087 -5.2917 -5.2917 -3.3662 -3.3662 -3.1752 -3.1752 -3.1575 -3.1575 -0.1359 -0.1359 -0.1055 -0.1055 -0.0362 -0.0362 1.8993 1.8993 1.9468 1.9468 2.6081 2.6081 2.6187 2.6187 2.7799 2.7799 3.4916 3.4916 3.5504 3.5504 3.7066 3.7066 3.7293 3.7293 3.9598 3.9598 4.0930 4.0930 7.9278 7.9278 10.5956 10.5956 10.9060 10.9060 11.5750 11.5750 11.5831 11.5831 12.2241 12.2241 k = 0.2083 0.3608-0.0000 ( 4970 PWs) bands (ev): -27.4704 -27.4704 -27.4480 -27.4480 -21.5971 -21.5971 -16.0439 -16.0439 -16.0416 -16.0416 -15.0253 -15.0253 -14.9964 -14.9964 -14.9593 -14.9593 -10.2093 -10.2093 -10.1386 -10.1386 -9.1811 -9.1811 -9.0774 -9.0774 -8.9528 -8.9528 -8.9069 -8.9069 -5.2968 -5.2968 -3.3661 -3.3661 -3.1706 -3.1706 -3.1528 -3.1528 -0.1419 -0.1419 -0.1107 -0.1107 -0.0383 -0.0383 1.9080 1.9080 1.9526 1.9526 2.6100 2.6100 2.6209 2.6209 2.7444 2.7444 3.5245 3.5245 3.5539 3.5539 3.7100 3.7100 3.7186 3.7186 3.9648 3.9648 4.0892 4.0892 7.9312 7.9312 10.5591 10.5591 10.8652 10.8652 11.5866 11.5866 11.6229 11.6229 12.2482 12.2482 k = 0.1979 0.3428-0.0000 ( 4972 PWs) bands (ev): -27.4713 -27.4713 -27.4471 -27.4471 -21.5970 -21.5970 -16.0435 -16.0435 -16.0412 -16.0412 -15.0251 -15.0251 -14.9986 -14.9986 -14.9589 -14.9589 -10.2114 -10.2114 -10.1359 -10.1359 -9.1838 -9.1838 -9.0732 -9.0732 -8.9543 -8.9543 -8.9051 -8.9051 -5.3023 -5.3023 -3.3660 -3.3660 -3.1657 -3.1657 -3.1478 -3.1478 -0.1478 -0.1478 -0.1162 -0.1162 -0.0409 -0.0409 1.9176 1.9176 1.9586 1.9586 2.6122 2.6122 2.6233 2.6233 2.7090 2.7090 3.5488 3.5488 3.5655 3.5655 3.6995 3.6995 3.7225 3.7225 3.9696 3.9696 4.0850 4.0850 7.9349 7.9349 10.5190 10.5190 10.8243 10.8243 11.6014 11.6014 11.6631 11.6631 12.2761 12.2761 k = 0.1875 0.3248-0.0000 ( 4964 PWs) bands (ev): -27.4722 -27.4722 -27.4462 -27.4462 -21.5969 -21.5969 -16.0432 -16.0432 -16.0408 -16.0408 -15.0250 -15.0250 -15.0008 -15.0008 -14.9584 -14.9584 -10.2134 -10.2134 -10.1333 -10.1333 -9.1864 -9.1864 -9.0691 -9.0691 -8.9558 -8.9558 -8.9034 -8.9034 -5.3082 -5.3082 -3.3659 -3.3659 -3.1605 -3.1605 -3.1426 -3.1426 -0.1537 -0.1537 -0.1220 -0.1220 -0.0440 -0.0440 1.9280 1.9280 1.9648 1.9648 2.6146 2.6146 2.6257 2.6257 2.6740 2.6740 3.5540 3.5540 3.5953 3.5953 3.6861 3.6861 3.7299 3.7299 3.9741 3.9741 4.0806 4.0806 7.9388 7.9388 10.4757 10.4757 10.7835 10.7835 11.6191 11.6191 11.7030 11.7030 12.3077 12.3077 k = 0.1771 0.3067-0.0000 ( 4974 PWs) bands (ev): -27.4731 -27.4731 -27.4453 -27.4453 -21.5968 -21.5968 -16.0428 -16.0428 -16.0404 -16.0404 -15.0250 -15.0250 -15.0030 -15.0030 -14.9581 -14.9581 -10.2152 -10.2152 -10.1308 -10.1308 -9.1888 -9.1888 -9.0651 -9.0651 -8.9572 -8.9572 -8.9017 -8.9017 -5.3143 -5.3143 -3.3658 -3.3658 -3.1550 -3.1550 -3.1372 -3.1372 -0.1596 -0.1596 -0.1281 -0.1281 -0.0474 -0.0474 1.9389 1.9389 1.9712 1.9712 2.6172 2.6172 2.6277 2.6277 2.6400 2.6400 3.5557 3.5557 3.6273 3.6273 3.6730 3.6730 3.7380 3.7380 3.9784 3.9784 4.0758 4.0758 7.9428 7.9428 10.4301 10.4301 10.7432 10.7432 11.6392 11.6392 11.7420 11.7420 12.3429 12.3429 k = 0.1667 0.2887-0.0000 ( 4971 PWs) bands (ev): -27.4739 -27.4739 -27.4445 -27.4445 -21.5967 -21.5967 -16.0424 -16.0424 -16.0400 -16.0400 -15.0252 -15.0252 -15.0050 -15.0050 -14.9577 -14.9577 -10.2170 -10.2170 -10.1284 -10.1284 -9.1911 -9.1911 -9.0612 -9.0612 -8.9585 -8.9585 -8.9001 -8.9001 -5.3206 -5.3206 -3.3657 -3.3657 -3.1493 -3.1493 -3.1316 -3.1316 -0.1652 -0.1652 -0.1345 -0.1345 -0.0509 -0.0509 1.9501 1.9501 1.9779 1.9779 2.6039 2.6039 2.6209 2.6209 2.6316 2.6316 3.5565 3.5565 3.6533 3.6533 3.6657 3.6657 3.7467 3.7467 3.9825 3.9825 4.0708 4.0708 7.9471 7.9471 10.3829 10.3829 10.7036 10.7036 11.6614 11.6614 11.7793 11.7793 12.3816 12.3816 k = 0.1562 0.2706-0.0000 ( 4987 PWs) bands (ev): -27.4748 -27.4748 -27.4437 -27.4437 -21.5966 -21.5966 -16.0420 -16.0420 -16.0395 -16.0395 -15.0255 -15.0255 -15.0070 -15.0070 -14.9573 -14.9573 -10.2186 -10.2186 -10.1261 -10.1261 -9.1932 -9.1932 -9.0574 -9.0574 -8.9597 -8.9597 -8.8985 -8.8985 -5.3270 -5.3270 -3.3656 -3.3656 -3.1436 -3.1436 -3.1260 -3.1260 -0.1707 -0.1707 -0.1411 -0.1411 -0.0546 -0.0546 1.9614 1.9614 1.9851 1.9851 2.5707 2.5707 2.6238 2.6238 2.6341 2.6341 3.5567 3.5567 3.6448 3.6448 3.6924 3.6924 3.7558 3.7558 3.9863 3.9863 4.0656 4.0656 7.9514 7.9514 10.3349 10.3349 10.6650 10.6650 11.6851 11.6851 11.8141 11.8141 12.4236 12.4236 k = 0.1458 0.2526-0.0000 ( 4991 PWs) bands (ev): -27.4756 -27.4756 -27.4429 -27.4429 -21.5965 -21.5965 -16.0416 -16.0416 -16.0391 -16.0391 -15.0259 -15.0259 -15.0089 -15.0089 -14.9570 -14.9570 -10.2200 -10.2200 -10.1239 -10.1239 -9.1951 -9.1951 -9.0538 -9.0538 -8.9608 -8.9608 -8.8971 -8.8971 -5.3336 -5.3336 -3.3655 -3.3655 -3.1377 -3.1377 -3.1203 -3.1203 -0.1760 -0.1760 -0.1478 -0.1478 -0.0582 -0.0582 1.9725 1.9725 1.9929 1.9929 2.5380 2.5380 2.6271 2.6271 2.6369 2.6369 3.5564 3.5564 3.6325 3.6325 3.7222 3.7222 3.7655 3.7655 3.9899 3.9899 4.0603 4.0603 7.9558 7.9558 10.2869 10.2869 10.6276 10.6276 11.7098 11.7098 11.8458 11.8458 12.4689 12.4689 k = 0.1354 0.2345-0.0000 ( 4983 PWs) bands (ev): -27.4763 -27.4763 -27.4421 -27.4421 -21.5964 -21.5964 -16.0411 -16.0411 -16.0386 -16.0386 -15.0265 -15.0265 -15.0106 -15.0106 -14.9566 -14.9566 -10.2214 -10.2214 -10.1218 -10.1218 -9.1969 -9.1969 -9.0503 -9.0503 -8.9618 -8.9618 -8.8957 -8.8957 -5.3401 -5.3401 -3.3654 -3.3654 -3.1319 -3.1319 -3.1146 -3.1146 -0.1811 -0.1811 -0.1546 -0.1546 -0.0617 -0.0617 1.9830 1.9830 2.0016 2.0016 2.5060 2.5060 2.6306 2.6306 2.6397 2.6397 3.5555 3.5555 3.6204 3.6204 3.7504 3.7504 3.7761 3.7761 3.9933 3.9933 4.0548 4.0548 7.9602 7.9602 10.2394 10.2394 10.5916 10.5916 11.7351 11.7351 11.8737 11.8737 12.5172 12.5172 k = 0.1250 0.2165-0.0000 ( 4975 PWs) bands (ev): -27.4770 -27.4770 -27.4414 -27.4414 -21.5963 -21.5963 -16.0407 -16.0407 -16.0381 -16.0381 -15.0271 -15.0271 -15.0122 -15.0122 -14.9562 -14.9562 -10.2226 -10.2226 -10.1199 -10.1199 -9.1985 -9.1985 -9.0470 -9.0470 -8.9627 -8.9627 -8.8944 -8.8944 -5.3465 -5.3465 -3.3653 -3.3653 -3.1262 -3.1262 -3.1089 -3.1089 -0.1860 -0.1860 -0.1613 -0.1613 -0.0650 -0.0650 1.9928 1.9928 2.0111 2.0111 2.4749 2.4749 2.6342 2.6342 2.6425 2.6425 3.5542 3.5542 3.6087 3.6087 3.7743 3.7743 3.7901 3.7901 3.9962 3.9962 4.0495 4.0495 7.9645 7.9645 10.1932 10.1932 10.5572 10.5572 11.7604 11.7604 11.8974 11.8974 12.5684 12.5684 k = 0.1146 0.1985-0.0000 ( 4985 PWs) bands (ev): -27.4777 -27.4777 -27.4408 -27.4408 -21.5962 -21.5962 -16.0403 -16.0403 -16.0377 -16.0377 -15.0279 -15.0279 -15.0137 -15.0137 -14.9558 -14.9558 -10.2237 -10.2237 -10.1181 -10.1181 -9.2000 -9.2000 -9.0439 -9.0439 -8.9635 -8.9635 -8.8932 -8.8932 -5.3528 -5.3528 -3.3652 -3.3652 -3.1207 -3.1207 -3.1035 -3.1035 -0.1907 -0.1907 -0.1681 -0.1681 -0.0682 -0.0682 2.0019 2.0019 2.0213 2.0213 2.4449 2.4449 2.6379 2.6379 2.6452 2.6452 3.5524 3.5524 3.5977 3.5977 3.7897 3.7897 3.8111 3.8111 3.9985 3.9985 4.0443 4.0443 7.9687 7.9687 10.1487 10.1487 10.5246 10.5246 11.7854 11.7854 11.9166 11.9166 12.6222 12.6223 k = 0.1042 0.1804-0.0000 ( 4985 PWs) bands (ev): -27.4783 -27.4783 -27.4402 -27.4402 -21.5960 -21.5960 -16.0399 -16.0399 -16.0372 -16.0372 -15.0288 -15.0288 -15.0150 -15.0150 -14.9555 -14.9555 -10.2247 -10.2247 -10.1165 -10.1165 -9.2014 -9.2014 -9.0410 -9.0410 -8.9642 -8.9642 -8.8921 -8.8921 -5.3589 -5.3589 -3.3651 -3.3651 -3.1154 -3.1154 -3.0982 -3.0982 -0.1950 -0.1950 -0.1746 -0.1746 -0.0711 -0.0711 2.0106 2.0106 2.0317 2.0317 2.4161 2.4161 2.6415 2.6415 2.6479 2.6479 3.5504 3.5504 3.5873 3.5873 3.8012 3.8012 3.8345 3.8345 4.0000 4.0000 4.0398 4.0398 7.9728 7.9728 10.1065 10.1065 10.4941 10.4941 11.8097 11.8097 11.9314 11.9314 12.6775 12.6775 k = 0.0938 0.1624-0.0000 ( 4983 PWs) bands (ev): -27.4789 -27.4789 -27.4396 -27.4396 -21.5959 -21.5959 -16.0395 -16.0395 -16.0368 -16.0368 -15.0297 -15.0297 -15.0162 -15.0162 -14.9551 -14.9551 -10.2256 -10.2256 -10.1150 -10.1150 -9.2026 -9.2026 -9.0383 -9.0383 -8.9648 -8.9648 -8.8910 -8.8910 -5.3646 -5.3646 -3.3650 -3.3650 -3.1104 -3.1104 -3.0931 -3.0931 -0.1991 -0.1991 -0.1807 -0.1807 -0.0738 -0.0738 2.0192 2.0192 2.0420 2.0420 2.3886 2.3886 2.6450 2.6450 2.6505 2.6505 3.5482 3.5482 3.5776 3.5776 3.8119 3.8119 3.8569 3.8569 4.0001 4.0001 4.0362 4.0362 7.9767 7.9767 10.0670 10.0670 10.4659 10.4659 11.8329 11.8329 11.9421 11.9421 12.7081 12.7081 k = 0.0833 0.1443-0.0000 ( 4975 PWs) bands (ev): -27.4794 -27.4794 -27.4391 -27.4391 -21.5958 -21.5958 -16.0391 -16.0391 -16.0364 -16.0364 -15.0306 -15.0306 -15.0172 -15.0172 -14.9547 -14.9547 -10.2264 -10.2264 -10.1136 -10.1136 -9.2036 -9.2036 -9.0359 -9.0359 -8.9653 -8.9653 -8.8901 -8.8901 -5.3700 -5.3700 -3.3650 -3.3650 -3.1058 -3.1058 -3.0884 -3.0884 -0.2029 -0.2029 -0.1864 -0.1864 -0.0762 -0.0762 2.0277 2.0277 2.0519 2.0519 2.3625 2.3625 2.6483 2.6483 2.6529 2.6529 3.5458 3.5458 3.5688 3.5688 3.8223 3.8223 3.8774 3.8774 3.9987 3.9987 4.0341 4.0341 7.9803 7.9803 10.0306 10.0306 10.4401 10.4401 11.8546 11.8546 11.9493 11.9493 12.7360 12.7360 k = 0.0729 0.1263-0.0000 ( 4979 PWs) bands (ev): -27.4798 -27.4798 -27.4386 -27.4386 -21.5958 -21.5958 -16.0388 -16.0388 -16.0360 -16.0360 -15.0315 -15.0315 -15.0181 -15.0181 -14.9544 -14.9544 -10.2271 -10.2271 -10.1124 -10.1124 -9.2046 -9.2046 -9.0337 -9.0337 -8.9657 -8.9657 -8.8893 -8.8893 -5.3749 -5.3749 -3.3649 -3.3649 -3.1016 -3.1016 -3.0841 -3.0841 -0.2065 -0.2065 -0.1916 -0.1916 -0.0783 -0.0783 2.0362 2.0362 2.0612 2.0612 2.3379 2.3379 2.6515 2.6515 2.6551 2.6551 3.5434 3.5434 3.5608 3.5608 3.8324 3.8324 3.8956 3.8956 3.9958 3.9958 4.0334 4.0334 7.9836 7.9836 9.9976 9.9976 10.4169 10.4169 11.8745 11.8745 11.9537 11.9537 12.7642 12.7642 k = 0.0625 0.1083-0.0000 ( 4985 PWs) bands (ev): -27.4802 -27.4802 -27.4383 -27.4383 -21.5957 -21.5957 -16.0385 -16.0385 -16.0357 -16.0357 -15.0323 -15.0323 -15.0189 -15.0189 -14.9541 -14.9541 -10.2276 -10.2276 -10.1114 -10.1114 -9.2054 -9.2054 -9.0318 -9.0318 -8.9661 -8.9661 -8.8886 -8.8886 -5.3793 -5.3793 -3.3648 -3.3648 -3.0979 -3.0979 -3.0802 -3.0802 -0.2098 -0.2098 -0.1962 -0.1962 -0.0801 -0.0801 2.0446 2.0446 2.0698 2.0698 2.3151 2.3151 2.6544 2.6544 2.6571 2.6571 3.5411 3.5411 3.5537 3.5537 3.8423 3.8423 3.9111 3.9111 3.9919 3.9919 4.0337 4.0337 7.9866 7.9866 9.9684 9.9684 10.3964 10.3964 11.8920 11.8920 11.9561 11.9561 12.7916 12.7916 k = 0.0521 0.0902-0.0000 ( 4975 PWs) bands (ev): -27.4806 -27.4806 -27.4379 -27.4379 -21.5956 -21.5956 -16.0383 -16.0383 -16.0354 -16.0354 -15.0330 -15.0330 -15.0196 -15.0196 -14.9538 -14.9538 -10.2281 -10.2281 -10.1105 -10.1105 -9.2060 -9.2060 -9.0302 -9.0302 -8.9664 -8.9664 -8.8880 -8.8880 -5.3831 -5.3831 -3.3648 -3.3648 -3.0947 -3.0947 -3.0768 -3.0768 -0.2127 -0.2127 -0.1999 -0.1999 -0.0816 -0.0816 2.0528 2.0528 2.0776 2.0776 2.2943 2.2943 2.6569 2.6569 2.6589 2.6589 3.5390 3.5390 3.5477 3.5477 3.8517 3.8517 3.9237 3.9237 3.9878 3.9878 4.0347 4.0347 7.9892 7.9892 9.9433 9.9433 10.3789 10.3789 11.9069 11.9069 11.9574 11.9574 12.8173 12.8173 k = 0.0417 0.0722-0.0000 ( 4971 PWs) bands (ev): -27.4809 -27.4809 -27.4376 -27.4376 -21.5956 -21.5956 -16.0380 -16.0380 -16.0351 -16.0351 -15.0336 -15.0336 -15.0201 -15.0201 -14.9536 -14.9536 -10.2285 -10.2285 -10.1098 -10.1098 -9.2066 -9.2066 -9.0288 -9.0288 -8.9666 -8.9666 -8.8875 -8.8875 -5.3863 -5.3863 -3.3647 -3.3647 -3.0920 -3.0920 -3.0739 -3.0739 -0.2153 -0.2153 -0.2030 -0.2030 -0.0829 -0.0829 2.0603 2.0603 2.0847 2.0847 2.2759 2.2759 2.6591 2.6591 2.6604 2.6604 3.5371 3.5371 3.5427 3.5427 3.8605 3.8605 3.9328 3.9328 3.9843 3.9843 4.0360 4.0360 7.9914 7.9914 9.9224 9.9224 10.3644 10.3644 11.9185 11.9185 11.9584 11.9584 12.8403 12.8403 k = 0.0312 0.0541-0.0000 ( 4971 PWs) bands (ev): -27.4811 -27.4811 -27.4374 -27.4374 -21.5955 -21.5955 -16.0379 -16.0379 -16.0349 -16.0349 -15.0342 -15.0342 -15.0206 -15.0206 -14.9534 -14.9534 -10.2288 -10.2288 -10.1092 -10.1092 -9.2070 -9.2070 -9.0278 -9.0278 -8.9668 -8.9668 -8.8871 -8.8871 -5.3888 -5.3888 -3.3647 -3.3647 -3.0898 -3.0898 -3.0716 -3.0716 -0.2174 -0.2174 -0.2053 -0.2053 -0.0838 -0.0838 2.0667 2.0667 2.0908 2.0908 2.2602 2.2602 2.6608 2.6608 2.6616 2.6616 3.5355 3.5355 3.5387 3.5387 3.8684 3.8684 3.9383 3.9383 3.9821 3.9821 4.0373 4.0373 7.9931 7.9931 9.9059 9.9059 10.3530 10.3530 11.9267 11.9267 11.9597 11.9597 12.8594 12.8594 k = 0.0208 0.0361-0.0000 ( 4975 PWs) bands (ev): -27.4812 -27.4812 -27.4372 -27.4372 -21.5955 -21.5955 -16.0377 -16.0377 -16.0348 -16.0348 -15.0346 -15.0346 -15.0209 -15.0209 -14.9532 -14.9532 -10.2290 -10.2290 -10.1088 -10.1088 -9.2073 -9.2073 -9.0270 -9.0270 -8.9669 -8.9669 -8.8868 -8.8868 -5.3906 -5.3906 -3.3647 -3.3647 -3.0883 -3.0883 -3.0700 -3.0700 -0.2190 -0.2190 -0.2069 -0.2069 -0.0846 -0.0846 2.0717 2.0717 2.0957 2.0957 2.2481 2.2481 2.6621 2.6621 2.6625 2.6625 3.5343 3.5343 3.5360 3.5360 3.8747 3.8747 3.9405 3.9405 3.9813 3.9813 4.0384 4.0384 7.9943 7.9943 9.8941 9.8941 10.3448 10.3448 11.9315 11.9315 11.9616 11.9616 12.8739 12.8739 k = 0.0104 0.0180-0.0000 ( 4971 PWs) bands (ev): -27.4813 -27.4813 -27.4372 -27.4372 -21.5955 -21.5955 -16.0377 -16.0377 -16.0347 -16.0347 -15.0348 -15.0348 -15.0211 -15.0211 -14.9531 -14.9531 -10.2291 -10.2291 -10.1086 -10.1086 -9.2075 -9.2075 -9.0266 -9.0266 -8.9670 -8.9670 -8.8867 -8.8867 -5.3917 -5.3917 -3.3646 -3.3646 -3.0874 -3.0874 -3.0690 -3.0690 -0.2200 -0.2200 -0.2079 -0.2079 -0.0850 -0.0850 2.0748 2.0748 2.0991 2.0991 2.2403 2.2403 2.6628 2.6628 2.6630 2.6630 3.5334 3.5334 3.5344 3.5344 3.8790 3.8790 3.9408 3.9408 3.9815 3.9815 4.0391 4.0391 7.9951 7.9951 9.8869 9.8869 10.3399 10.3399 11.9337 11.9337 11.9633 11.9633 12.8829 12.8829 k = 0.0000 0.0000 0.0000 ( 4965 PWs) bands (ev): -27.4814 -27.4814 -27.4371 -27.4371 -21.5955 -21.5955 -16.0376 -16.0376 -16.0347 -16.0347 -15.0349 -15.0349 -15.0211 -15.0211 -14.9531 -14.9531 -10.2292 -10.2292 -10.1085 -10.1085 -9.2075 -9.2075 -9.0264 -9.0264 -8.9670 -8.9670 -8.8866 -8.8866 -5.3921 -5.3921 -3.3646 -3.3646 -3.0871 -3.0871 -3.0687 -3.0687 -0.2203 -0.2203 -0.2082 -0.2082 -0.0851 -0.0851 2.0759 2.0759 2.1003 2.1003 2.2376 2.2376 2.6630 2.6630 2.6632 2.6632 3.5331 3.5331 3.5340 3.5340 3.8805 3.8805 3.9407 3.9407 3.9816 3.9816 4.0393 4.0393 7.9954 7.9954 9.8845 9.8845 10.3382 10.3382 11.9344 11.9344 11.9639 11.9639 12.8860 12.8860 k = 0.0000 0.0000 0.0000 ( 4965 PWs) bands (ev): -27.4814 -27.4814 -27.4371 -27.4371 -21.5955 -21.5955 -16.0376 -16.0376 -16.0347 -16.0347 -15.0349 -15.0349 -15.0211 -15.0211 -14.9531 -14.9531 -10.2292 -10.2292 -10.1085 -10.1085 -9.2075 -9.2075 -9.0264 -9.0264 -8.9670 -8.9670 -8.8866 -8.8866 -5.3921 -5.3921 -3.3646 -3.3646 -3.0871 -3.0871 -3.0687 -3.0687 -0.2203 -0.2203 -0.2082 -0.2082 -0.0851 -0.0851 2.0759 2.0759 2.1003 2.1003 2.2376 2.2376 2.6630 2.6630 2.6632 2.6632 3.5331 3.5331 3.5340 3.5340 3.8805 3.8805 3.9407 3.9407 3.9816 3.9816 4.0393 4.0393 7.9954 7.9954 9.8845 9.8845 10.3382 10.3382 11.9344 11.9344 11.9639 11.9639 12.8860 12.8860 k = 0.0000 0.0000 0.0207 ( 4983 PWs) bands (ev): -27.4813 -27.4813 -27.4371 -27.4371 -21.5954 -21.5954 -16.0376 -16.0376 -16.0346 -16.0346 -15.0348 -15.0348 -15.0210 -15.0210 -14.9534 -14.9534 -10.2292 -10.2292 -10.1088 -10.1088 -9.2075 -9.2075 -9.0266 -9.0266 -8.9672 -8.9672 -8.8873 -8.8873 -5.3921 -5.3921 -3.3653 -3.3653 -3.0870 -3.0870 -3.0686 -3.0686 -0.2206 -0.2206 -0.2084 -0.2084 -0.0847 -0.0847 2.0756 2.0756 2.1000 2.1001 2.2392 2.2392 2.6626 2.6626 2.6628 2.6629 3.5328 3.5328 3.5337 3.5339 3.8806 3.8806 3.9400 3.9400 3.9809 3.9811 4.0378 4.0378 7.9943 7.9943 9.8877 9.8877 10.3413 10.3413 11.9361 11.9363 11.9658 11.9658 12.8882 12.8882 k = 0.0000 0.0000 0.0414 ( 4977 PWs) bands (ev): -27.4811 -27.4811 -27.4369 -27.4369 -21.5953 -21.5953 -16.0375 -16.0375 -16.0345 -16.0345 -15.0342 -15.0342 -15.0206 -15.0206 -14.9540 -14.9540 -10.2293 -10.2293 -10.1096 -10.1096 -9.2074 -9.2074 -9.0270 -9.0270 -8.9679 -8.9679 -8.8894 -8.8894 -5.3920 -5.3920 -3.3672 -3.3672 -3.0867 -3.0867 -3.0683 -3.0683 -0.2211 -0.2211 -0.2091 -0.2090 -0.0835 -0.0835 2.0748 2.0748 2.0992 2.0994 2.2439 2.2439 2.6615 2.6615 2.6616 2.6619 3.5321 3.5321 3.5330 3.5335 3.8807 3.8807 3.9379 3.9379 3.9788 3.9794 4.0333 4.0333 7.9914 7.9914 9.8973 9.8973 10.3505 10.3505 11.9415 11.9419 11.9713 11.9713 12.8949 12.8949 k = 0.0000 0.0000 0.0620 ( 4989 PWs) bands (ev): -27.4807 -27.4807 -27.4366 -27.4366 -21.5951 -21.5951 -16.0373 -16.0373 -16.0343 -16.0343 -15.0334 -15.0334 -15.0198 -15.0198 -14.9551 -14.9551 -10.2295 -10.2295 -10.1111 -10.1111 -9.2072 -9.2072 -9.0277 -9.0277 -8.9691 -8.9691 -8.8930 -8.8930 -5.3918 -5.3918 -3.3705 -3.3705 -3.0863 -3.0863 -3.0679 -3.0679 -0.2221 -0.2221 -0.2101 -0.2101 -0.0816 -0.0816 2.0735 2.0735 2.0978 2.0981 2.2518 2.2518 2.6595 2.6595 2.6596 2.6601 3.5309 3.5309 3.5320 3.5326 3.8810 3.8810 3.9343 3.9343 3.9755 3.9764 4.0260 4.0260 7.9864 7.9864 9.9131 9.9131 10.3658 10.3658 11.9505 11.9512 11.9805 11.9805 12.9060 12.9060 k = 0.0000 0.0000 0.0827 ( 5001 PWs) bands (ev): -27.4802 -27.4802 -27.4362 -27.4362 -21.5948 -21.5948 -16.0370 -16.0370 -16.0341 -16.0341 -15.0323 -15.0323 -15.0188 -15.0188 -14.9567 -14.9567 -10.2298 -10.2298 -10.1131 -10.1131 -9.2070 -9.2070 -9.0287 -9.0287 -8.9707 -8.9707 -8.8978 -8.8978 -5.3915 -5.3915 -3.3750 -3.3750 -3.0857 -3.0857 -3.0674 -3.0673 -0.2234 -0.2234 -0.2116 -0.2115 -0.0789 -0.0789 2.0716 2.0716 2.0959 2.0964 2.2627 2.2627 2.6568 2.6568 2.6569 2.6575 3.5292 3.5292 3.5306 3.5314 3.8813 3.8813 3.9294 3.9294 3.9710 3.9722 4.0159 4.0159 7.9796 7.9796 9.9350 9.9350 10.3873 10.3873 11.9631 11.9640 11.9933 11.9933 12.9216 12.9216 k = 0.0000 0.0000 0.1034 ( 4995 PWs) bands (ev): -27.4796 -27.4796 -27.4356 -27.4356 -21.5944 -21.5944 -16.0367 -16.0367 -16.0337 -16.0337 -15.0307 -15.0307 -15.0174 -15.0174 -14.9588 -14.9588 -10.2302 -10.2302 -10.1156 -10.1156 -9.2068 -9.2068 -9.0299 -9.0298 -8.9728 -8.9728 -8.9040 -8.9040 -5.3911 -5.3911 -3.3808 -3.3808 -3.0849 -3.0849 -3.0666 -3.0665 -0.2251 -0.2251 -0.2133 -0.2133 -0.0754 -0.0754 2.0693 2.0693 2.0935 2.0941 2.2767 2.2767 2.6534 2.6534 2.6535 2.6543 3.5271 3.5271 3.5288 3.5299 3.8818 3.8818 3.9228 3.9228 3.9653 3.9667 4.0033 4.0033 7.9710 7.9710 9.9628 9.9628 10.4148 10.4148 11.9792 11.9803 12.0096 12.0096 12.9417 12.9417 k = 0.0000 0.0000 0.1241 ( 4983 PWs) bands (ev): -27.4788 -27.4788 -27.4350 -27.4350 -21.5939 -21.5939 -16.0363 -16.0363 -16.0333 -16.0333 -15.0289 -15.0289 -15.0157 -15.0157 -14.9611 -14.9611 -10.2307 -10.2307 -10.1185 -10.1185 -9.2065 -9.2065 -9.0313 -9.0312 -8.9754 -8.9754 -8.9113 -8.9113 -5.3907 -5.3907 -3.3877 -3.3877 -3.0840 -3.0840 -3.0657 -3.0656 -0.2271 -0.2271 -0.2155 -0.2155 -0.0712 -0.0712 2.0665 2.0665 2.0906 2.0913 2.2936 2.2936 2.6493 2.6493 2.6494 2.6503 3.5246 3.5246 3.5268 3.5281 3.8823 3.8823 3.9146 3.9146 3.9584 3.9601 3.9884 3.9884 7.9609 7.9609 9.9964 9.9964 10.4484 10.4484 11.9988 12.0001 12.0295 12.0295 12.9662 12.9662 k = 0.0000 0.0000 0.1447 ( 4971 PWs) bands (ev): -27.4779 -27.4779 -27.4342 -27.4342 -21.5934 -21.5934 -16.0358 -16.0358 -16.0328 -16.0328 -15.0268 -15.0268 -15.0137 -15.0137 -14.9640 -14.9640 -10.2314 -10.2314 -10.1220 -10.1220 -9.2063 -9.2062 -9.0329 -9.0328 -8.9786 -8.9786 -8.9197 -8.9197 -5.3902 -5.3902 -3.3959 -3.3959 -3.0829 -3.0829 -3.0647 -3.0645 -0.2295 -0.2295 -0.2181 -0.2181 -0.0662 -0.0662 2.0632 2.0632 2.0873 2.0881 2.3134 2.3134 2.6445 2.6445 2.6446 2.6457 3.5217 3.5217 3.5244 3.5259 3.8829 3.8829 3.9044 3.9044 3.9504 3.9524 3.9716 3.9716 7.9494 7.9494 10.0353 10.0353 10.4881 10.4881 12.0217 12.0233 12.0526 12.0526 12.9952 12.9952 k = 0.0000 0.0000 0.1654 ( 4995 PWs) bands (ev): -27.4769 -27.4769 -27.4333 -27.4333 -21.5928 -21.5928 -16.0352 -16.0352 -16.0323 -16.0323 -15.0244 -15.0244 -15.0116 -15.0115 -14.9672 -14.9672 -10.2323 -10.2323 -10.1258 -10.1258 -9.2061 -9.2060 -9.0346 -9.0346 -8.9825 -8.9825 -8.9289 -8.9289 -5.3896 -5.3896 -3.4052 -3.4052 -3.0816 -3.0816 -3.0635 -3.0633 -0.2323 -0.2323 -0.2212 -0.2212 -0.0606 -0.0606 2.0595 2.0595 2.0835 2.0844 2.3359 2.3359 2.6391 2.6391 2.6392 2.6404 3.5184 3.5184 3.5217 3.5235 3.8835 3.8835 3.8918 3.8918 3.9412 3.9435 3.9536 3.9536 7.9365 7.9365 10.0793 10.0793 10.5337 10.5337 12.0478 12.0496 12.0790 12.0790 13.0286 13.0286 k = 0.0000 0.0000 0.1861 ( 4995 PWs) bands (ev): -27.4757 -27.4757 -27.4324 -27.4324 -21.5921 -21.5921 -16.0346 -16.0346 -16.0317 -16.0316 -15.0217 -15.0217 -15.0091 -15.0091 -14.9708 -14.9708 -10.2335 -10.2335 -10.1299 -10.1299 -9.2060 -9.2059 -9.0365 -9.0365 -8.9872 -8.9872 -8.9388 -8.9388 -5.3890 -5.3890 -3.4155 -3.4155 -3.0802 -3.0802 -3.0622 -3.0619 -0.2354 -0.2354 -0.2246 -0.2246 -0.0543 -0.0543 2.0553 2.0553 2.0793 2.0803 2.3610 2.3610 2.6330 2.6330 2.6332 2.6346 3.5148 3.5148 3.5188 3.5208 3.8761 3.8761 3.8843 3.8843 3.9310 3.9335 3.9351 3.9351 7.9226 7.9226 10.1281 10.1281 10.5852 10.5852 12.0771 12.0790 12.1085 12.1085 13.0665 13.0665 k = 0.0000 0.0000 0.2068 ( 4983 PWs) bands (ev): -27.4744 -27.4744 -27.4313 -27.4313 -21.5913 -21.5913 -16.0340 -16.0340 -16.0310 -16.0310 -15.0186 -15.0186 -15.0063 -15.0063 -14.9748 -14.9748 -10.2351 -10.2351 -10.1342 -10.1342 -9.2060 -9.2059 -9.0384 -9.0384 -8.9932 -8.9932 -8.9488 -8.9488 -5.3882 -5.3882 -3.4268 -3.4268 -3.0786 -3.0786 -3.0607 -3.0604 -0.2389 -0.2389 -0.2284 -0.2283 -0.0473 -0.0473 2.0507 2.0507 2.0747 2.0758 2.3886 2.3886 2.6264 2.6264 2.6267 2.6282 3.5109 3.5109 3.5157 3.5179 3.8569 3.8569 3.8850 3.8850 3.9171 3.9171 3.9199 3.9226 7.9076 7.9076 10.1814 10.1814 10.6426 10.6426 12.1092 12.1113 12.1409 12.1409 13.1088 13.1088 k = 0.0000 0.0000 0.2274 ( 4983 PWs) bands (ev): -27.4731 -27.4731 -27.4301 -27.4301 -21.5905 -21.5905 -16.0332 -16.0332 -16.0302 -16.0302 -15.0154 -15.0154 -15.0034 -15.0033 -14.9791 -14.9791 -10.2370 -10.2370 -10.1387 -10.1387 -9.2061 -9.2060 -9.0403 -9.0403 -9.0007 -9.0007 -8.9585 -8.9585 -5.3875 -5.3875 -3.4391 -3.4391 -3.0769 -3.0769 -3.0590 -3.0588 -0.2427 -0.2427 -0.2325 -0.2324 -0.0398 -0.0398 2.0458 2.0458 2.0697 2.0709 2.4186 2.4186 2.6193 2.6193 2.6196 2.6213 3.5067 3.5067 3.5124 3.5148 3.8338 3.8338 3.8858 3.8858 3.8999 3.8999 3.9077 3.9107 7.8919 7.8919 10.2388 10.2388 10.7057 10.7057 12.1441 12.1464 12.1759 12.1759 13.1555 13.1555 k = 0.0000 0.0000 0.2481 ( 4983 PWs) bands (ev): -27.4716 -27.4716 -27.4289 -27.4289 -21.5896 -21.5896 -16.0324 -16.0324 -16.0294 -16.0294 -15.0118 -15.0118 -15.0001 -15.0001 -14.9838 -14.9838 -10.2395 -10.2395 -10.1432 -10.1432 -9.2064 -9.2063 -9.0422 -9.0422 -9.0101 -9.0101 -8.9675 -8.9675 -5.3866 -5.3866 -3.4523 -3.4523 -3.0751 -3.0751 -3.0573 -3.0570 -0.2468 -0.2468 -0.2370 -0.2369 -0.0317 -0.0317 2.0405 2.0405 2.0644 2.0657 2.4507 2.4507 2.6117 2.6117 2.6121 2.6138 3.5023 3.5023 3.5090 3.5115 3.8072 3.8072 3.8834 3.8834 3.8866 3.8866 3.8947 3.8980 7.8754 7.8754 10.3001 10.3001 10.7744 10.7744 12.1816 12.1840 12.2135 12.2135 13.2066 13.2066 k = 0.0000 0.0000 0.2688 ( 4983 PWs) bands (ev): -27.4700 -27.4700 -27.4275 -27.4275 -21.5886 -21.5886 -16.0316 -16.0316 -16.0286 -16.0286 -15.0081 -15.0081 -14.9967 -14.9967 -14.9888 -14.9888 -10.2425 -10.2425 -10.1476 -10.1476 -9.2070 -9.2069 -9.0441 -9.0440 -9.0216 -9.0216 -8.9753 -8.9753 -5.3858 -5.3858 -3.4663 -3.4663 -3.0731 -3.0731 -3.0554 -3.0551 -0.2513 -0.2513 -0.2418 -0.2418 -0.0231 -0.0231 2.0349 2.0349 2.0588 2.0602 2.4848 2.4848 2.6037 2.6037 2.6041 2.6060 3.4977 3.4977 3.5054 3.5081 3.7777 3.7777 3.8675 3.8675 3.8809 3.8844 3.8874 3.8874 7.8584 7.8584 10.3649 10.3649 10.8486 10.8486 12.2213 12.2239 12.2533 12.2533 13.2621 13.2621 k = 0.0000 0.0000 0.2895 ( 4971 PWs) bands (ev): -27.4683 -27.4683 -27.4261 -27.4261 -21.5876 -21.5876 -16.0307 -16.0307 -16.0277 -16.0277 -15.0041 -15.0041 -14.9940 -14.9940 -14.9930 -14.9930 -10.2463 -10.2463 -10.1518 -10.1518 -9.2079 -9.2077 -9.0457 -9.0457 -9.0351 -9.0351 -8.9822 -8.9822 -5.3848 -5.3848 -3.4810 -3.4810 -3.0710 -3.0710 -3.0534 -3.0531 -0.2560 -0.2560 -0.2470 -0.2469 -0.0140 -0.0140 2.0291 2.0291 2.0529 2.0544 2.5207 2.5207 2.5954 2.5954 2.5958 2.5978 3.4930 3.4930 3.5018 3.5047 3.7459 3.7459 3.8518 3.8518 3.8664 3.8700 3.8882 3.8882 7.8411 7.8411 10.4329 10.4329 10.9282 10.9282 12.2630 12.2658 12.2950 12.2950 13.2495 13.2794 k = 0.0000 0.0000 0.3101 ( 4983 PWs) bands (ev): -27.4665 -27.4665 -27.4247 -27.4247 -21.5866 -21.5866 -16.0298 -16.0298 -16.0268 -16.0268 -15.0010 -15.0010 -14.9985 -14.9985 -14.9892 -14.9892 -10.2508 -10.2508 -10.1556 -10.1556 -9.2091 -9.2089 -9.0501 -9.0501 -9.0472 -9.0472 -8.9883 -8.9883 -5.3839 -5.3839 -3.4963 -3.4963 -3.0689 -3.0689 -3.0513 -3.0510 -0.2611 -0.2611 -0.2525 -0.2524 -0.0045 -0.0045 2.0230 2.0230 2.0468 2.0484 2.5578 2.5578 2.5871 2.5872 2.5872 2.5892 3.4881 3.4881 3.4980 3.5012 3.7121 3.7121 3.8359 3.8359 3.8511 3.8550 3.8889 3.8889 7.8234 7.8234 10.5038 10.5038 11.0129 11.0129 12.3064 12.3094 12.3383 12.3383 13.2346 13.2657 k = 0.0000 0.0000 0.3308 ( 4995 PWs) bands (ev): -27.4647 -27.4647 -27.4231 -27.4231 -21.5855 -21.5855 -16.0288 -16.0288 -16.0258 -16.0258 -15.0056 -15.0056 -14.9953 -14.9953 -14.9853 -14.9853 -10.2561 -10.2561 -10.1591 -10.1591 -9.2106 -9.2104 -9.0662 -9.0662 -9.0484 -9.0484 -8.9938 -8.9938 -5.3829 -5.3829 -3.5122 -3.5122 -3.0666 -3.0666 -3.0491 -3.0488 -0.2665 -0.2665 -0.2583 -0.2582 0.0053 0.0053 2.0167 2.0167 2.0406 2.0422 2.5758 2.5758 2.5781 2.5803 2.5994 2.5994 3.4832 3.4832 3.4943 3.4976 3.6769 3.6769 3.8198 3.8198 3.8353 3.8393 3.8895 3.8895 7.8054 7.8054 10.5773 10.5773 11.1025 11.1025 12.3511 12.3543 12.3826 12.3826 13.2176 13.2517 k = 0.0000 0.0000 0.3515 ( 5007 PWs) bands (ev): -27.4628 -27.4628 -27.4215 -27.4215 -21.5843 -21.5843 -16.0278 -16.0278 -16.0248 -16.0248 -15.0115 -15.0115 -14.9909 -14.9909 -14.9812 -14.9812 -10.2622 -10.2622 -10.1621 -10.1621 -9.2125 -9.2124 -9.0833 -9.0833 -9.0494 -9.0494 -8.9991 -8.9991 -5.3818 -5.3818 -3.5286 -3.5286 -3.0642 -3.0642 -3.0469 -3.0465 -0.2721 -0.2721 -0.2644 -0.2643 0.0156 0.0156 2.0103 2.0103 2.0342 2.0358 2.5673 2.5673 2.5688 2.5711 2.6390 2.6390 3.4782 3.4782 3.4905 3.4940 3.6406 3.6406 3.8035 3.8035 3.8189 3.8232 3.8901 3.8901 7.7873 7.7873 10.6532 10.6532 11.1968 11.1968 12.3966 12.4001 12.4276 12.4276 13.2011 13.2371 k = 0.0000 0.0000 0.3722 ( 5007 PWs) bands (ev): -27.4609 -27.4609 -27.4199 -27.4199 -21.5832 -21.5832 -16.0268 -16.0268 -16.0238 -16.0238 -15.0177 -15.0177 -14.9862 -14.9862 -14.9769 -14.9769 -10.2692 -10.2692 -10.1647 -10.1647 -9.2149 -9.2147 -9.1009 -9.1009 -9.0500 -9.0500 -9.0041 -9.0041 -5.3807 -5.3807 -3.5454 -3.5454 -3.0617 -3.0617 -3.0445 -3.0441 -0.2780 -0.2780 -0.2707 -0.2706 0.0261 0.0261 2.0037 2.0037 2.0277 2.0294 2.5580 2.5580 2.5594 2.5618 2.6804 2.6804 3.4733 3.4733 3.4868 3.4905 3.6034 3.6034 3.7870 3.7870 3.8021 3.8066 3.8906 3.8906 7.7692 7.7692 10.7311 10.7311 11.2955 11.2955 12.4423 12.4461 12.4724 12.4724 13.1841 13.2238 k = 0.0000 0.0000 0.3928 ( 5007 PWs) bands (ev): -27.4589 -27.4589 -27.4182 -27.4182 -21.5820 -21.5820 -16.0257 -16.0257 -16.0227 -16.0227 -15.0240 -15.0240 -14.9814 -14.9814 -14.9726 -14.9725 -10.2769 -10.2769 -10.1668 -10.1668 -9.2176 -9.2174 -9.1190 -9.1190 -9.0503 -9.0503 -9.0089 -9.0089 -5.3796 -5.3796 -3.5625 -3.5625 -3.0592 -3.0592 -3.0421 -3.0417 -0.2840 -0.2840 -0.2773 -0.2772 0.0369 0.0369 1.9971 1.9971 2.0211 2.0229 2.5484 2.5484 2.5499 2.5523 2.7229 2.7229 3.4684 3.4684 3.4832 3.4871 3.5657 3.5657 3.7703 3.7703 3.7850 3.7897 3.8909 3.8909 7.7512 7.7512 10.8108 10.8108 11.3982 11.3982 12.4874 12.4918 12.5161 12.5161 13.1665 13.2074 k = 0.0000 0.0000 0.4135 ( 5007 PWs) bands (ev): -27.4568 -27.4568 -27.4165 -27.4165 -21.5808 -21.5808 -16.0246 -16.0246 -16.0216 -16.0216 -15.0305 -15.0305 -14.9765 -14.9765 -14.9681 -14.9681 -10.2852 -10.2852 -10.1685 -10.1685 -9.2208 -9.2206 -9.1373 -9.1373 -9.0502 -9.0502 -9.0136 -9.0136 -5.3785 -5.3785 -3.5798 -3.5798 -3.0566 -3.0566 -3.0396 -3.0392 -0.2903 -0.2903 -0.2840 -0.2839 0.0478 0.0478 1.9905 1.9905 2.0146 2.0164 2.5386 2.5386 2.5402 2.5427 2.7661 2.7661 3.4635 3.4635 3.4796 3.4838 3.5276 3.5276 3.7534 3.7534 3.7676 3.7725 3.8911 3.8911 7.7332 7.7332 10.8920 10.8920 11.5048 11.5048 12.5308 12.5360 12.5576 12.5576 13.1488 13.1917 k = 0.0000 0.0000 0.4342 ( 5019 PWs) bands (ev): -27.4548 -27.4548 -27.4148 -27.4148 -21.5795 -21.5795 -16.0235 -16.0235 -16.0205 -16.0205 -15.0370 -15.0370 -14.9716 -14.9716 -14.9636 -14.9636 -10.2942 -10.2942 -10.1698 -10.1698 -9.2243 -9.2241 -9.1558 -9.1558 -9.0498 -9.0498 -9.0182 -9.0182 -5.3774 -5.3774 -3.5973 -3.5973 -3.0540 -3.0540 -3.0371 -3.0367 -0.2968 -0.2968 -0.2910 -0.2909 0.0589 0.0589 1.9838 1.9838 2.0081 2.0099 2.5288 2.5288 2.5305 2.5330 2.8099 2.8099 3.4586 3.4586 3.4762 3.4805 3.4895 3.4895 3.7363 3.7363 3.7500 3.7550 3.8911 3.8911 7.7155 7.7155 10.9744 10.9744 11.6146 11.6146 12.5712 12.5775 12.5951 12.5951 13.1317 13.1754 k = 0.0000 0.0000 0.4549 ( 5007 PWs) bands (ev): -27.4527 -27.4527 -27.4130 -27.4130 -21.5783 -21.5783 -16.0224 -16.0224 -16.0194 -16.0194 -15.0436 -15.0436 -14.9665 -14.9665 -14.9590 -14.9589 -10.3036 -10.3036 -10.1708 -10.1708 -9.2282 -9.2280 -9.1743 -9.1743 -9.0491 -9.0491 -9.0226 -9.0226 -5.3763 -5.3763 -3.6147 -3.6147 -3.0513 -3.0513 -3.0345 -3.0341 -0.3033 -0.3033 -0.2981 -0.2980 0.0701 0.0701 1.9772 1.9772 2.0016 2.0034 2.5190 2.5190 2.5207 2.5233 2.8540 2.8540 3.4480 3.4480 3.4573 3.4573 3.4729 3.4775 3.7193 3.7193 3.7323 3.7375 3.8909 3.8909 7.6980 7.6980 11.0577 11.0577 11.7275 11.7275 12.6064 12.6144 12.6264 12.6264 13.1168 13.1593 k = 0.0000 0.0000 0.4755 ( 4995 PWs) bands (ev): -27.4506 -27.4506 -27.4113 -27.4113 -21.5770 -21.5770 -16.0213 -16.0213 -16.0183 -16.0183 -15.0502 -15.0502 -14.9614 -14.9614 -14.9544 -14.9543 -10.3135 -10.3135 -10.1715 -10.1715 -9.2324 -9.2323 -9.1927 -9.1927 -9.0481 -9.0481 -9.0269 -9.0269 -5.3751 -5.3751 -3.6322 -3.6322 -3.0486 -3.0486 -3.0320 -3.0316 -0.3100 -0.3100 -0.3052 -0.3051 0.0813 0.0813 1.9707 1.9707 1.9953 1.9971 2.5093 2.5093 2.5110 2.5136 2.8982 2.8982 3.4120 3.4120 3.4508 3.4508 3.4698 3.4745 3.7022 3.7022 3.7146 3.7200 3.8904 3.8904 7.6808 7.6808 11.1416 11.1416 11.8427 11.8427 12.6338 12.6443 12.6487 12.6487 13.1064 13.1459 k = 0.0000 0.0000 0.4962 ( 4989 PWs) bands (ev): -27.4485 -27.4485 -27.4095 -27.4095 -21.5758 -21.5758 -16.0202 -16.0202 -16.0172 -16.0172 -15.0568 -15.0568 -14.9563 -14.9563 -14.9498 -14.9497 -10.3236 -10.3236 -10.1720 -10.1720 -9.2370 -9.2368 -9.2109 -9.2109 -9.0468 -9.0467 -9.0311 -9.0311 -5.3740 -5.3740 -3.6495 -3.6495 -3.0459 -3.0459 -3.0294 -3.0290 -0.3168 -0.3168 -0.3125 -0.3124 0.0926 0.0926 1.9643 1.9643 1.9890 1.9909 2.4996 2.4996 2.5014 2.5040 2.9424 2.9424 3.3746 3.3746 3.4465 3.4465 3.4668 3.4718 3.6853 3.6853 3.6970 3.7026 3.8897 3.8897 7.6640 7.6640 11.2258 11.2258 11.9599 11.9599 12.6507 12.6597 12.6597 12.6642 13.1034 13.1381 k = 0.0000 0.0000 0.5169 ( 4989 PWs) bands (ev): -27.4464 -27.4464 -27.4078 -27.4078 -21.5745 -21.5745 -16.0191 -16.0191 -16.0161 -16.0161 -15.0634 -15.0634 -14.9512 -14.9512 -14.9452 -14.9452 -10.3339 -10.3339 -10.1723 -10.1723 -9.2417 -9.2415 -9.2289 -9.2289 -9.0452 -9.0452 -9.0352 -9.0352 -5.3729 -5.3729 -3.6667 -3.6667 -3.0432 -3.0432 -3.0268 -3.0264 -0.3236 -0.3236 -0.3198 -0.3198 0.1037 0.1037 1.9581 1.9581 1.9830 1.9848 2.4900 2.4900 2.4918 2.4945 2.9864 2.9864 3.3375 3.3375 3.4426 3.4426 3.4640 3.4692 3.6685 3.6685 3.6795 3.6853 3.8886 3.8886 7.6476 7.6476 11.3099 11.3099 12.0785 12.0785 12.6550 12.6578 12.6578 12.6716 13.1104 13.1392 k = 0.0000 0.0000 0.5376 ( 4977 PWs) bands (ev): -27.4444 -27.4444 -27.4060 -27.4060 -21.5733 -21.5733 -16.0181 -16.0181 -16.0151 -16.0151 -15.0699 -15.0699 -14.9462 -14.9462 -14.9406 -14.9406 -10.3443 -10.3443 -10.1725 -10.1725 -9.2466 -9.2464 -9.2464 -9.2464 -9.0434 -9.0434 -9.0391 -9.0391 -5.3718 -5.3718 -3.6835 -3.6835 -3.0405 -3.0405 -3.0242 -3.0238 -0.3304 -0.3304 -0.3271 -0.3270 0.1148 0.1148 1.9520 1.9520 1.9772 1.9790 2.4806 2.4806 2.4825 2.4851 3.0300 3.0300 3.3012 3.3012 3.4389 3.4389 3.4613 3.4668 3.6519 3.6519 3.6623 3.6683 3.8872 3.8872 7.6317 7.6317 11.3935 11.3935 12.1978 12.1978 12.6438 12.6438 12.6465 12.6656 13.1279 13.1509 k = 0.0000 0.0000 0.5582 ( 4953 PWs) bands (ev): -27.4424 -27.4424 -27.4043 -27.4043 -21.5721 -21.5721 -16.0170 -16.0170 -16.0140 -16.0140 -15.0762 -15.0762 -14.9412 -14.9412 -14.9361 -14.9361 -10.3547 -10.3547 -10.1726 -10.1726 -9.2635 -9.2635 -9.2516 -9.2514 -9.0428 -9.0428 -9.0415 -9.0414 -5.3707 -5.3707 -3.7000 -3.7000 -3.0379 -3.0379 -3.0217 -3.0213 -0.3372 -0.3372 -0.3344 -0.3343 0.1257 0.1257 1.9462 1.9462 1.9716 1.9733 2.4713 2.4713 2.4733 2.4758 3.0730 3.0730 3.2657 3.2657 3.4356 3.4356 3.4589 3.4646 3.6357 3.6357 3.6453 3.6515 3.8854 3.8854 7.6164 7.6164 11.4764 11.4764 12.3171 12.3171 12.6201 12.6201 12.6271 12.6476 13.1546 13.1730 k = 0.0000 0.0000 0.5789 ( 4959 PWs) bands (ev): -27.4404 -27.4404 -27.4027 -27.4027 -21.5709 -21.5709 -16.0160 -16.0160 -16.0130 -16.0130 -15.0825 -15.0825 -14.9364 -14.9364 -14.9318 -14.9317 -10.3651 -10.3651 -10.1725 -10.1725 -9.2801 -9.2801 -9.2568 -9.2566 -9.0464 -9.0464 -9.0394 -9.0394 -5.3696 -5.3696 -3.7161 -3.7161 -3.0353 -3.0353 -3.0192 -3.0188 -0.3439 -0.3439 -0.3416 -0.3415 0.1363 0.1363 1.9406 1.9406 1.9662 1.9680 2.4623 2.4623 2.4643 2.4668 3.1153 3.1153 3.2312 3.2312 3.4325 3.4325 3.4567 3.4626 3.6198 3.6198 3.6288 3.6352 3.8833 3.8833 7.6015 7.6015 11.5581 11.5581 12.4356 12.4356 12.5894 12.5894 12.5996 12.6204 13.1878 13.2032 k = 0.0000 0.0000 0.5996 ( 4953 PWs) bands (ev): -27.4385 -27.4385 -27.4011 -27.4011 -21.5698 -21.5698 -16.0150 -16.0150 -16.0120 -16.0120 -15.0886 -15.0886 -14.9317 -14.9317 -14.9275 -14.9274 -10.3753 -10.3753 -10.1724 -10.1724 -9.2961 -9.2961 -9.2619 -9.2617 -9.0498 -9.0498 -9.0372 -9.0372 -5.3686 -5.3686 -3.7316 -3.7316 -3.0328 -3.0328 -3.0168 -3.0164 -0.3505 -0.3505 -0.3487 -0.3486 0.1467 0.1467 1.9353 1.9353 1.9611 1.9628 2.4536 2.4536 2.4556 2.4581 3.1566 3.1566 3.1979 3.1979 3.4299 3.4299 3.4547 3.4609 3.6044 3.6044 3.6127 3.6193 3.8807 3.8807 7.5872 7.5872 11.6381 11.6381 12.5511 12.5511 12.5558 12.5558 12.5670 12.5873 13.2244 13.2389 k = 0.0000 0.0000 0.6203 ( 4947 PWs) bands (ev): -27.4366 -27.4366 -27.3995 -27.3995 -21.5687 -21.5687 -16.0140 -16.0140 -16.0110 -16.0110 -15.0946 -15.0946 -14.9271 -14.9271 -14.9233 -14.9233 -10.3853 -10.3853 -10.1723 -10.1723 -9.3114 -9.3114 -9.2670 -9.2668 -9.0530 -9.0530 -9.0350 -9.0350 -5.3676 -5.3676 -3.7465 -3.7465 -3.0303 -3.0303 -3.0144 -3.0140 -0.3570 -0.3570 -0.3556 -0.3556 0.1568 0.1568 1.9302 1.9302 1.9563 1.9580 2.4452 2.4452 2.4472 2.4496 3.1659 3.1659 3.1968 3.1968 3.4276 3.4276 3.4528 3.4593 3.5894 3.5894 3.5971 3.6040 3.8776 3.8776 7.5736 7.5736 11.7162 11.7162 12.5172 12.5172 12.5315 12.5506 12.6670 12.6670 13.2581 13.2686 k = 0.0000 0.0000 0.6409 ( 4910 PWs) bands (ev): -27.4348 -27.4348 -27.3980 -27.3980 -21.5676 -21.5676 -16.0131 -16.0131 -16.0100 -16.0100 -15.1002 -15.1002 -14.9226 -14.9226 -14.9193 -14.9193 -10.3950 -10.3950 -10.1721 -10.1721 -9.3260 -9.3260 -9.2720 -9.2718 -9.0560 -9.0560 -9.0327 -9.0327 -5.3666 -5.3666 -3.7608 -3.7608 -3.0279 -3.0279 -3.0121 -3.0118 -0.3632 -0.3632 -0.3623 -0.3622 0.1666 0.1666 1.9255 1.9255 1.9519 1.9535 2.4372 2.4372 2.4392 2.4415 3.1354 3.1354 3.2356 3.2356 3.4258 3.4258 3.4512 3.4580 3.5751 3.5751 3.5821 3.5893 3.8740 3.8740 7.5606 7.5606 11.7919 11.7919 12.4792 12.4792 12.4947 12.5125 12.7780 12.7780 13.2633 13.2731 k = 0.0000 0.0000 0.6616 ( 4928 PWs) bands (ev): -27.4331 -27.4331 -27.3966 -27.3966 -21.5666 -21.5666 -16.0122 -16.0122 -16.0092 -16.0091 -15.1056 -15.1056 -14.9184 -14.9184 -14.9155 -14.9155 -10.4044 -10.4044 -10.1719 -10.1719 -9.3398 -9.3398 -9.2769 -9.2767 -9.0588 -9.0588 -9.0305 -9.0305 -5.3657 -5.3657 -3.7745 -3.7745 -3.0256 -3.0256 -3.0099 -3.0096 -0.3693 -0.3693 -0.3688 -0.3687 0.1758 0.1758 1.9210 1.9210 1.9477 1.9492 2.4295 2.4295 2.4315 2.4337 3.1064 3.1064 3.2728 3.2728 3.4247 3.4247 3.4498 3.4569 3.5614 3.5614 3.5678 3.5752 3.8699 3.8699 7.5483 7.5483 11.8646 11.8646 12.4415 12.4415 12.4579 12.4742 12.8846 12.8846 13.2572 13.2711 k = 0.0000 0.0000 0.6823 ( 4940 PWs) bands (ev): -27.4315 -27.4315 -27.3953 -27.3953 -21.5657 -21.5657 -16.0113 -16.0113 -16.0083 -16.0083 -15.1108 -15.1108 -14.9144 -14.9144 -14.9119 -14.9119 -10.4133 -10.4133 -10.1717 -10.1717 -9.3528 -9.3528 -9.2816 -9.2814 -9.0614 -9.0614 -9.0283 -9.0283 -5.3649 -5.3649 -3.7873 -3.7873 -3.0235 -3.0235 -3.0079 -3.0075 -0.3752 -0.3752 -0.3750 -0.3749 0.1846 0.1846 1.9168 1.9168 1.9439 1.9453 2.4222 2.4222 2.4242 2.4263 3.0791 3.0791 3.3079 3.3079 3.4244 3.4244 3.4485 3.4559 3.5484 3.5484 3.5542 3.5619 3.8653 3.8653 7.5369 7.5369 11.9340 11.9340 12.4049 12.4049 12.4219 12.4367 12.9858 12.9858 13.2520 13.2659 k = 0.0000 0.0000 0.7030 ( 4964 PWs) bands (ev): -27.4300 -27.4300 -27.3940 -27.3940 -21.5648 -21.5648 -16.0105 -16.0105 -16.0075 -16.0075 -15.1158 -15.1158 -14.9107 -14.9107 -14.9086 -14.9086 -10.4218 -10.4218 -10.1715 -10.1715 -9.3649 -9.3649 -9.2861 -9.2859 -9.0638 -9.0638 -9.0261 -9.0261 -5.3641 -5.3641 -3.7994 -3.7994 -3.0214 -3.0214 -3.0059 -3.0056 -0.3810 -0.3809 -0.3808 -0.3808 0.1928 0.1928 1.9130 1.9130 1.9403 1.9417 2.4153 2.4153 2.4174 2.4194 3.0536 3.0536 3.3401 3.3401 3.4259 3.4259 3.4475 3.4552 3.5361 3.5361 3.5414 3.5494 3.8601 3.8601 7.5262 7.5262 11.9997 11.9997 12.3699 12.3699 12.3874 12.4007 13.0807 13.0807 13.2475 13.2605 k = 0.0000 0.0000 0.7236 ( 4964 PWs) bands (ev): -27.4286 -27.4286 -27.3928 -27.3928 -21.5639 -21.5639 -16.0098 -16.0098 -16.0068 -16.0068 -15.1203 -15.1203 -14.9072 -14.9072 -14.9054 -14.9054 -10.4297 -10.4297 -10.1713 -10.1713 -9.3761 -9.3761 -9.2903 -9.2901 -9.0661 -9.0661 -9.0241 -9.0241 -5.3633 -5.3633 -3.8105 -3.8105 -3.0195 -3.0195 -3.0041 -3.0038 -0.3865 -0.3864 -0.3860 -0.3860 0.2005 0.2005 1.9095 1.9095 1.9371 1.9384 2.4090 2.4090 2.4110 2.4129 3.0299 3.0299 3.3674 3.3674 3.4307 3.4307 3.4466 3.4546 3.5247 3.5247 3.5293 3.5376 3.8544 3.8544 7.5163 7.5163 12.0611 12.0611 12.3371 12.3371 12.3548 12.3668 13.1685 13.1685 13.2438 13.2556 k = 0.0000 0.0000 0.7443 ( 4964 PWs) bands (ev): -27.4273 -27.4273 -27.3917 -27.3917 -21.5632 -21.5632 -16.0091 -16.0091 -16.0061 -16.0061 -15.1244 -15.1244 -14.9040 -14.9040 -14.9025 -14.9025 -10.4370 -10.4370 -10.1711 -10.1711 -9.3863 -9.3863 -9.2942 -9.2941 -9.0681 -9.0681 -9.0222 -9.0222 -5.3626 -5.3626 -3.8207 -3.8207 -3.0178 -3.0178 -3.0024 -3.0021 -0.3916 -0.3916 -0.3908 -0.3908 0.2077 0.2077 1.9064 1.9064 1.9343 1.9355 2.4032 2.4032 2.4052 2.4069 3.0083 3.0083 3.3865 3.3865 3.4422 3.4422 3.4460 3.4543 3.5142 3.5142 3.5182 3.5268 3.8481 3.8481 7.5073 7.5073 12.1179 12.1179 12.3067 12.3067 12.3247 12.3352 13.2406 13.2482 13.2482 13.2511 k = 0.0000 0.0000 0.7650 ( 4976 PWs) bands (ev): -27.4262 -27.4262 -27.3907 -27.3907 -21.5625 -21.5625 -16.0085 -16.0085 -16.0055 -16.0055 -15.1283 -15.1283 -14.9011 -14.9011 -14.8999 -14.8999 -10.4437 -10.4437 -10.1709 -10.1709 -9.3955 -9.3955 -9.2978 -9.2977 -9.0699 -9.0699 -9.0204 -9.0204 -5.3620 -5.3620 -3.8300 -3.8300 -3.0162 -3.0162 -3.0008 -3.0006 -0.3963 -0.3963 -0.3952 -0.3952 0.2141 0.2141 1.9036 1.9036 1.9318 1.9328 2.3979 2.3979 2.3999 2.4015 2.9886 2.9886 3.3963 3.3963 3.4455 3.4542 3.4608 3.4608 3.5051 3.5051 3.5080 3.5168 3.8414 3.8414 7.4992 7.4992 12.1696 12.1696 12.2791 12.2791 12.2971 12.3064 13.2379 13.2472 13.2861 13.2861 k = 0.0000 0.0000 0.7857 ( 4976 PWs) bands (ev): -27.4251 -27.4251 -27.3899 -27.3899 -21.5618 -21.5618 -16.0080 -16.0080 -16.0049 -16.0049 -15.1317 -15.1317 -14.8985 -14.8985 -14.8976 -14.8975 -10.4497 -10.4497 -10.1708 -10.1708 -9.4037 -9.4037 -9.3011 -9.3010 -9.0714 -9.0714 -9.0188 -9.0188 -5.3615 -5.3615 -3.8383 -3.8383 -3.0147 -3.0147 -2.9994 -2.9992 -0.4005 -0.4005 -0.3991 -0.3991 0.2199 0.2199 1.9011 1.9011 1.9296 1.9305 2.3931 2.3931 2.3952 2.3966 2.9711 2.9711 3.4007 3.4007 3.4453 3.4543 3.4806 3.4806 3.4987 3.4993 3.4993 3.5078 3.8343 3.8343 7.4920 7.4920 12.2154 12.2154 12.2549 12.2549 12.2725 12.2804 13.2357 13.2437 13.2846 13.2846 k = 0.0000 0.0000 0.8063 ( 4976 PWs) bands (ev): -27.4242 -27.4242 -27.3891 -27.3891 -21.5613 -21.5613 -16.0075 -16.0075 -16.0045 -16.0045 -15.1346 -15.1346 -14.8962 -14.8962 -14.8955 -14.8955 -10.4550 -10.4550 -10.1706 -10.1706 -9.4109 -9.4109 -9.3039 -9.3038 -9.0728 -9.0728 -9.0174 -9.0174 -5.3610 -5.3610 -3.8455 -3.8455 -3.0134 -3.0134 -2.9982 -2.9980 -0.4042 -0.4042 -0.4026 -0.4026 0.2250 0.2250 1.8990 1.8990 1.9277 1.9285 2.3890 2.3890 2.3910 2.3923 2.9558 2.9558 3.4028 3.4028 3.4454 3.4545 3.4841 3.4841 3.4904 3.4997 3.5109 3.5109 3.8270 3.8270 7.4857 7.4857 12.2302 12.2302 12.2508 12.2576 12.2591 12.2591 13.2340 13.2407 13.2829 13.2829 k = 0.0000 0.0000 0.8270 ( 4976 PWs) bands (ev): -27.4234 -27.4234 -27.3884 -27.3884 -21.5608 -21.5608 -16.0071 -16.0071 -16.0040 -16.0040 -15.1372 -15.1372 -14.8942 -14.8942 -14.8937 -14.8937 -10.4596 -10.4596 -10.1705 -10.1705 -9.4170 -9.4170 -9.3064 -9.3063 -9.0740 -9.0740 -9.0162 -9.0162 -5.3606 -5.3606 -3.8517 -3.8517 -3.0123 -3.0123 -2.9972 -2.9970 -0.4074 -0.4074 -0.4056 -0.4056 0.2294 0.2294 1.8972 1.8972 1.9261 1.9268 2.3854 2.3854 2.3875 2.3885 2.9427 2.9427 3.4041 3.4041 3.4457 3.4549 3.4786 3.4786 3.4831 3.4924 3.5309 3.5309 3.8197 3.8197 7.4803 7.4803 12.2126 12.2126 12.2324 12.2380 12.2930 12.2930 13.2326 13.2382 13.2815 13.2815 k = 0.0000 0.0000 0.8477 ( 4964 PWs) bands (ev): -27.4227 -27.4227 -27.3879 -27.3879 -21.5604 -21.5604 -16.0067 -16.0067 -16.0037 -16.0037 -15.1392 -15.1392 -14.8925 -14.8925 -14.8922 -14.8922 -10.4633 -10.4633 -10.1704 -10.1704 -9.4220 -9.4220 -9.3084 -9.3084 -9.0749 -9.0749 -9.0151 -9.0151 -5.3602 -5.3602 -3.8568 -3.8568 -3.0114 -3.0114 -2.9963 -2.9962 -0.4101 -0.4100 -0.4081 -0.4081 0.2331 0.2331 1.8957 1.8957 1.9249 1.9254 2.3825 2.3825 2.3846 2.3855 2.9320 2.9320 3.4049 3.4049 3.4464 3.4554 3.4733 3.4733 3.4771 3.4862 3.5495 3.5495 3.8126 3.8126 7.4759 7.4759 12.1974 12.1974 12.2173 12.2217 12.3217 12.3217 13.2316 13.2360 13.2803 13.2803 k = 0.0000 0.0000 0.8684 ( 4964 PWs) bands (ev): -27.4222 -27.4222 -27.3875 -27.3875 -21.5601 -21.5601 -16.0065 -16.0065 -16.0034 -16.0034 -15.1408 -15.1408 -14.8912 -14.8912 -14.8911 -14.8910 -10.4663 -10.4663 -10.1703 -10.1703 -9.4259 -9.4259 -9.3100 -9.3100 -9.0756 -9.0756 -9.0143 -9.0143 -5.3599 -5.3599 -3.8608 -3.8608 -3.0107 -3.0107 -2.9956 -2.9955 -0.4121 -0.4121 -0.4100 -0.4100 0.2360 0.2360 1.8946 1.8946 1.9239 1.9243 2.3802 2.3802 2.3824 2.3830 2.9236 2.9236 3.4055 3.4055 3.4474 3.4557 3.4689 3.4689 3.4724 3.4808 3.5651 3.5651 3.8062 3.8062 7.4724 7.4724 12.1854 12.1854 12.2056 12.2088 12.3443 12.3443 13.2310 13.2343 13.2794 13.2794 k = 0.0000 0.0000 0.8890 ( 4940 PWs) bands (ev): -27.4218 -27.4218 -27.3871 -27.3871 -21.5599 -21.5599 -16.0063 -16.0063 -16.0032 -16.0032 -15.1420 -15.1420 -14.8902 -14.8902 -14.8901 -14.8901 -10.4684 -10.4684 -10.1702 -10.1702 -9.4287 -9.4287 -9.3112 -9.3111 -9.0762 -9.0762 -9.0137 -9.0137 -5.3597 -5.3597 -3.8636 -3.8636 -3.0102 -3.0102 -2.9951 -2.9950 -0.4135 -0.4135 -0.4114 -0.4114 0.2381 0.2381 1.8938 1.8938 1.9233 1.9235 2.3785 2.3785 2.3808 2.3813 2.9176 2.9176 3.4059 3.4059 3.4487 3.4554 3.4656 3.4656 3.4696 3.4763 3.5771 3.5771 3.8010 3.8010 7.4700 7.4700 12.1768 12.1768 12.1973 12.1995 12.3605 12.3605 13.2307 13.2329 13.2788 13.2788 k = 0.0000 0.0000 0.9097 ( 4952 PWs) bands (ev): -27.4216 -27.4216 -27.3870 -27.3870 -21.5598 -21.5598 -16.0061 -16.0061 -16.0031 -16.0031 -15.1427 -15.1427 -14.8897 -14.8897 -14.8897 -14.8897 -10.4697 -10.4697 -10.1702 -10.1702 -9.4304 -9.4304 -9.3119 -9.3119 -9.0765 -9.0765 -9.0134 -9.0134 -5.3596 -5.3596 -3.8653 -3.8653 -3.0099 -3.0099 -2.9948 -2.9947 -0.4145 -0.4145 -0.4122 -0.4122 0.2393 0.2393 1.8933 1.8933 1.9229 1.9230 2.3775 2.3775 2.3799 2.3801 2.9139 2.9139 3.4062 3.4062 3.4504 3.4542 3.4636 3.4636 3.4689 3.4727 3.5846 3.5846 3.7976 3.7976 7.4685 7.4685 12.1716 12.1716 12.1925 12.1936 12.3702 12.3702 13.2307 13.2318 13.2784 13.2784 k = 0.0000 0.0000 0.9304 ( 4958 PWs) bands (ev): -27.4216 -27.4216 -27.3869 -27.3869 -21.5597 -21.5597 -16.0061 -16.0061 -16.0031 -16.0031 -15.1429 -15.1429 -14.8896 -14.8896 -14.8895 -14.8895 -10.4701 -10.4701 -10.1702 -10.1702 -9.4310 -9.4310 -9.3121 -9.3121 -9.0766 -9.0766 -9.0133 -9.0133 -5.3596 -5.3596 -3.8659 -3.8659 -3.0098 -3.0098 -2.9947 -2.9947 -0.4148 -0.4148 -0.4125 -0.4125 0.2397 0.2397 1.8931 1.8931 1.9228 1.9228 2.3772 2.3772 2.3797 2.3797 2.9127 2.9127 3.4063 3.4063 3.4523 3.4523 3.4630 3.4630 3.4701 3.4701 3.5872 3.5872 3.7964 3.7964 7.4680 7.4680 12.1699 12.1699 12.1913 12.1913 12.3735 12.3735 13.2311 13.2311 13.2783 13.2783 k = 0.0000 0.0000 0.9304 ( 4958 PWs) bands (ev): -27.4216 -27.4216 -27.3869 -27.3869 -21.5597 -21.5597 -16.0061 -16.0061 -16.0031 -16.0031 -15.1429 -15.1429 -14.8896 -14.8896 -14.8895 -14.8895 -10.4701 -10.4701 -10.1702 -10.1702 -9.4310 -9.4310 -9.3121 -9.3121 -9.0766 -9.0766 -9.0133 -9.0133 -5.3596 -5.3596 -3.8659 -3.8659 -3.0098 -3.0098 -2.9947 -2.9947 -0.4148 -0.4148 -0.4125 -0.4125 0.2397 0.2397 1.8931 1.8931 1.9228 1.9228 2.3772 2.3772 2.3797 2.3797 2.9127 2.9127 3.4063 3.4063 3.4523 3.4523 3.4630 3.4630 3.4701 3.4701 3.5872 3.5872 3.7964 3.7964 7.4680 7.4680 12.1699 12.1699 12.1913 12.1913 12.3735 12.3735 13.2311 13.2311 13.2783 13.2783 k = 0.0179 0.0103 0.9304 ( 4950 PWs) bands (ev): -27.4215 -27.4215 -27.3869 -27.3869 -21.5597 -21.5597 -16.0061 -16.0061 -16.0031 -16.0031 -15.1427 -15.1427 -14.8897 -14.8897 -14.8895 -14.8895 -10.4699 -10.4699 -10.1705 -10.1705 -9.4307 -9.4307 -9.3119 -9.3119 -9.0768 -9.0768 -9.0135 -9.0135 -5.3590 -5.3590 -3.8660 -3.8660 -3.0101 -3.0101 -2.9949 -2.9949 -0.4142 -0.4142 -0.4120 -0.4120 0.2394 0.2394 1.8922 1.8922 1.9218 1.9219 2.3768 2.3768 2.3793 2.3793 2.9150 2.9150 3.4060 3.4060 3.4519 3.4519 3.4628 3.4628 3.4699 3.4699 3.5870 3.5870 3.7973 3.7973 7.4682 7.4682 12.1710 12.1710 12.1924 12.1924 12.3734 12.3734 13.2291 13.2291 13.2759 13.2759 k = 0.0357 0.0206 0.9304 ( 4946 PWs) bands (ev): -27.4215 -27.4215 -27.3870 -27.3870 -21.5597 -21.5597 -16.0061 -16.0061 -16.0030 -16.0030 -15.1422 -15.1422 -14.8903 -14.8903 -14.8895 -14.8895 -10.4692 -10.4692 -10.1713 -10.1713 -9.4301 -9.4300 -9.3113 -9.3113 -9.0775 -9.0775 -9.0144 -9.0143 -5.3574 -5.3574 -3.8664 -3.8664 -3.0108 -3.0108 -2.9957 -2.9957 -0.4126 -0.4125 -0.4103 -0.4103 0.2382 0.2382 1.8891 1.8894 1.9191 1.9194 2.3753 2.3755 2.3782 2.3784 2.9217 2.9217 3.4050 3.4050 3.4507 3.4507 3.4624 3.4624 3.4693 3.4693 3.5867 3.5867 3.8002 3.8002 7.4689 7.4689 12.1742 12.1742 12.1956 12.1956 12.3730 12.3730 13.2228 13.2232 13.2689 13.2693 k = 0.0536 0.0309 0.9304 ( 4946 PWs) bands (ev): -27.4213 -27.4213 -27.3871 -27.3871 -21.5598 -21.5598 -16.0060 -16.0060 -16.0030 -16.0030 -15.1414 -15.1414 -14.8912 -14.8912 -14.8895 -14.8895 -10.4681 -10.4681 -10.1726 -10.1726 -9.4289 -9.4289 -9.3103 -9.3102 -9.0787 -9.0787 -9.0157 -9.0157 -5.3547 -5.3547 -3.8670 -3.8670 -3.0120 -3.0120 -2.9970 -2.9970 -0.4099 -0.4098 -0.4076 -0.4074 0.2364 0.2364 1.8830 1.8840 1.9154 1.9164 2.3726 2.3729 2.3768 2.3771 2.9325 2.9326 3.4034 3.4034 3.4487 3.4488 3.4616 3.4617 3.4684 3.4684 3.5861 3.5861 3.8048 3.8048 7.4701 7.4701 12.1794 12.1795 12.2010 12.2012 12.3722 12.3722 13.2123 13.2135 13.2580 13.2594 k = 0.0714 0.0412 0.9304 ( 4942 PWs) bands (ev): -27.4212 -27.4212 -27.3873 -27.3873 -21.5598 -21.5598 -16.0059 -16.0059 -16.0029 -16.0029 -15.1402 -15.1402 -14.8924 -14.8924 -14.8896 -14.8896 -10.4666 -10.4666 -10.1745 -10.1744 -9.4274 -9.4273 -9.3089 -9.3088 -9.0803 -9.0803 -9.0175 -9.0175 -5.3510 -5.3510 -3.8679 -3.8679 -3.0136 -3.0136 -2.9988 -2.9988 -0.4063 -0.4061 -0.4037 -0.4034 0.2338 0.2338 1.8737 1.8755 1.9117 1.9136 2.3686 2.3691 2.3752 2.3757 2.9472 2.9473 3.4011 3.4011 3.4462 3.4465 3.4604 3.4605 3.4674 3.4674 3.5852 3.5853 3.8108 3.8109 7.4717 7.4717 12.1865 12.1868 12.2088 12.2091 12.3708 12.3709 13.1977 13.2005 13.2439 13.2472 k = 0.0893 0.0515 0.9304 ( 4942 PWs) bands (ev): -27.4209 -27.4209 -27.3875 -27.3875 -21.5599 -21.5599 -16.0058 -16.0058 -16.0029 -16.0028 -15.1387 -15.1387 -14.8941 -14.8941 -14.8896 -14.8896 -10.4647 -10.4646 -10.1769 -10.1768 -9.4255 -9.4253 -9.3072 -9.3069 -9.0825 -9.0825 -9.0198 -9.0197 -5.3463 -5.3462 -3.8689 -3.8689 -3.0157 -3.0157 -3.0011 -3.0011 -0.4017 -0.4014 -0.3986 -0.3983 0.2304 0.2304 1.8612 1.8639 1.9083 1.9112 2.3635 2.3641 2.3732 2.3739 2.9651 2.9653 3.3981 3.3982 3.4435 3.4440 3.4585 3.4590 3.4664 3.4665 3.5843 3.5843 3.8181 3.8181 7.4737 7.4737 12.1952 12.1957 12.2189 12.2194 12.3685 12.3686 13.1794 13.1847 13.2271 13.2334 k = 0.1071 0.0619 0.9304 ( 4938 PWs) bands (ev): -27.4207 -27.4207 -27.3877 -27.3877 -21.5599 -21.5599 -16.0057 -16.0057 -16.0027 -16.0027 -15.1369 -15.1369 -14.8961 -14.8961 -14.8896 -14.8896 -10.4624 -10.4623 -10.1798 -10.1796 -9.4231 -9.4229 -9.3051 -9.3047 -9.0851 -9.0851 -9.0225 -9.0223 -5.3407 -5.3406 -3.8702 -3.8702 -3.0183 -3.0182 -3.0038 -3.0038 -0.3963 -0.3959 -0.3925 -0.3921 0.2264 0.2264 1.8461 1.8496 1.9055 1.9092 2.3572 2.3580 2.3710 2.3718 2.9857 2.9860 3.3944 3.3947 3.4408 3.4415 3.4561 3.4569 3.4655 3.4658 3.5832 3.5833 3.8261 3.8262 7.4761 7.4761 12.2054 12.2062 12.2315 12.2324 12.3649 12.3652 13.1585 13.1669 13.2083 13.2186 k = 0.1250 0.0722 0.9304 ( 4944 PWs) bands (ev): -27.4204 -27.4204 -27.3881 -27.3881 -21.5600 -21.5600 -16.0056 -16.0056 -16.0026 -16.0025 -15.1347 -15.1347 -14.8985 -14.8985 -14.8897 -14.8897 -10.4597 -10.4595 -10.1832 -10.1829 -9.4205 -9.4201 -9.3027 -9.3021 -9.0881 -9.0881 -9.0255 -9.0251 -5.3343 -5.3342 -3.8717 -3.8717 -3.0212 -3.0211 -3.0069 -3.0069 -0.3900 -0.3895 -0.3854 -0.3848 0.2216 0.2216 1.8291 1.8333 1.9028 1.9073 2.3500 2.3509 2.3685 2.3694 3.0085 3.0089 3.3903 3.3907 3.4382 3.4392 3.4532 3.4544 3.4647 3.4652 3.5820 3.5821 3.8347 3.8348 7.4789 7.4789 12.2167 12.2179 12.2467 12.2480 12.3599 12.3603 13.1355 13.1478 13.1884 13.2035 k = 0.1429 0.0825 0.9304 ( 4952 PWs) bands (ev): -27.4200 -27.4200 -27.3884 -27.3884 -21.5601 -21.5601 -16.0055 -16.0054 -16.0025 -16.0023 -15.1323 -15.1323 -14.9012 -14.9012 -14.8898 -14.8898 -10.4567 -10.4564 -10.1870 -10.1866 -9.4174 -9.4169 -9.3001 -9.2992 -9.0917 -9.0917 -9.0288 -9.0283 -5.3271 -5.3270 -3.8733 -3.8733 -3.0245 -3.0244 -3.0104 -3.0104 -0.3829 -0.3822 -0.3773 -0.3767 0.2161 0.2161 1.8108 1.8156 1.9003 1.9054 2.3420 2.3429 2.3657 2.3666 3.0328 3.0334 3.3859 3.3865 3.4359 3.4373 3.4499 3.4515 3.4639 3.4646 3.5808 3.5809 3.8436 3.8437 7.4819 7.4819 12.2292 12.2307 12.2644 12.2661 12.3530 12.3535 13.1111 13.1269 13.1689 13.1890 k = 0.1607 0.0928 0.9304 ( 4952 PWs) bands (ev): -27.4196 -27.4196 -27.3888 -27.3888 -21.5602 -21.5602 -16.0054 -16.0053 -16.0023 -16.0021 -15.1296 -15.1296 -14.9042 -14.9042 -14.8899 -14.8899 -10.4533 -10.4528 -10.1913 -10.1907 -9.4141 -9.4134 -9.2972 -9.2959 -9.0957 -9.0956 -9.0323 -9.0316 -5.3194 -5.3192 -3.8751 -3.8751 -3.0281 -3.0279 -3.0142 -3.0142 -0.3749 -0.3741 -0.3684 -0.3676 0.2100 0.2100 1.7918 1.7971 1.8977 1.9034 2.3330 2.3340 2.3627 2.3637 3.0581 3.0589 3.3814 3.3823 3.4339 3.4357 3.4464 3.4484 3.4631 3.4640 3.5795 3.5796 3.8524 3.8525 7.4852 7.4852 12.2427 12.2445 12.2843 12.2866 12.3444 12.3448 13.0852 13.1034 13.1522 13.1761 k = 0.1786 0.1031 0.9304 ( 4962 PWs) bands (ev): -27.4192 -27.4192 -27.3892 -27.3892 -21.5603 -21.5603 -16.0054 -16.0051 -16.0021 -16.0019 -15.1266 -15.1266 -14.9076 -14.9076 -14.8900 -14.8900 -10.4496 -10.4490 -10.1961 -10.1952 -9.4105 -9.4096 -9.2942 -9.2924 -9.1001 -9.1000 -9.0359 -9.0350 -5.3111 -5.3109 -3.8771 -3.8771 -3.0321 -3.0318 -3.0183 -3.0182 -0.3662 -0.3653 -0.3588 -0.3579 0.2031 0.2031 1.7724 1.7781 1.8951 1.9013 2.3234 2.3245 2.3595 2.3605 3.0837 3.0849 3.3772 3.3785 3.4320 3.4344 3.4428 3.4451 3.4624 3.4634 3.5782 3.5784 3.8610 3.8611 7.4887 7.4888 12.2569 12.2592 12.3047 12.3089 12.3346 12.3352 13.0579 13.0765 13.1401 13.1660 k = 0.1964 0.1134 0.9304 ( 4962 PWs) bands (ev): -27.4187 -27.4187 -27.3897 -27.3897 -21.5604 -21.5604 -16.0053 -16.0050 -16.0019 -16.0016 -15.1232 -15.1232 -14.9112 -14.9112 -14.8901 -14.8901 -10.4456 -10.4448 -10.2011 -10.2001 -9.4067 -9.4055 -9.2910 -9.2887 -9.1050 -9.1047 -9.0396 -9.0384 -5.3024 -5.3021 -3.8791 -3.8791 -3.0363 -3.0358 -3.0227 -3.0224 -0.3568 -0.3558 -0.3485 -0.3475 0.1957 0.1957 1.7531 1.7591 1.8924 1.8990 2.3132 2.3143 2.3561 2.3572 3.1093 3.1108 3.3734 3.3753 3.4303 3.4330 3.4394 3.4419 3.4616 3.4628 3.5770 3.5771 3.8691 3.8693 7.4924 7.4925 12.2714 12.2745 12.3115 12.3177 12.3382 12.3398 13.0293 13.0469 13.1330 13.1595 k = 0.2143 0.1237 0.9304 ( 4960 PWs) bands (ev): -27.4182 -27.4182 -27.3902 -27.3902 -21.5605 -21.5605 -16.0052 -16.0049 -16.0016 -16.0013 -15.1197 -15.1197 -14.9150 -14.9150 -14.8901 -14.8901 -10.4413 -10.4403 -10.2066 -10.2053 -9.4027 -9.4011 -9.2878 -9.2848 -9.1101 -9.1096 -9.0433 -9.0419 -5.2934 -5.2931 -3.8812 -3.8812 -3.0407 -3.0400 -3.0272 -3.0268 -0.3467 -0.3456 -0.3377 -0.3365 0.1876 0.1876 1.7341 1.7404 1.8895 1.8965 2.3025 2.3036 2.3526 2.3538 3.1341 3.1362 3.3704 3.3730 3.4284 3.4308 3.4372 3.4391 3.4609 3.4621 3.5757 3.5759 3.8767 3.8769 7.4963 7.4963 12.2838 12.2899 12.2990 12.3066 12.3642 12.3644 12.9995 13.0154 13.1306 13.1571 k = 0.2321 0.1340 0.9304 ( 4972 PWs) bands (ev): -27.4177 -27.4177 -27.3907 -27.3907 -21.5606 -21.5606 -16.0051 -16.0048 -16.0013 -16.0010 -15.1159 -15.1159 -14.9192 -14.9192 -14.8903 -14.8903 -10.4368 -10.4356 -10.2123 -10.2107 -9.3984 -9.3966 -9.2845 -9.2808 -9.1156 -9.1148 -9.0470 -9.0454 -5.2843 -5.2839 -3.8833 -3.8833 -3.0453 -3.0443 -3.0319 -3.0313 -0.3362 -0.3350 -0.3264 -0.3251 0.1789 0.1789 1.7158 1.7223 1.8865 1.8938 2.2914 2.2926 2.3491 2.3502 3.1578 3.1605 3.3683 3.3719 3.4260 3.4274 3.4367 3.4371 3.4601 3.4614 3.5745 3.5747 3.8837 3.8839 7.5001 7.5001 12.2793 12.2802 12.3076 12.3096 12.3931 12.3940 12.9691 12.9831 13.1324 13.1586 k = 0.2500 0.1443 0.9304 ( 4976 PWs) bands (ev): -27.4171 -27.4171 -27.3913 -27.3913 -21.5607 -21.5607 -16.0050 -16.0047 -16.0010 -16.0007 -15.1119 -15.1119 -14.9235 -14.9235 -14.8904 -14.8904 -10.4320 -10.4305 -10.2183 -10.2164 -9.3941 -9.3918 -9.2813 -9.2768 -9.1212 -9.1201 -9.0507 -9.0489 -5.2751 -5.2747 -3.8855 -3.8855 -3.0499 -3.0487 -3.0366 -3.0359 -0.3252 -0.3239 -0.3147 -0.3133 0.1697 0.1697 1.6982 1.7048 1.8835 1.8909 2.2802 2.2813 2.3455 2.3466 3.1799 3.1833 3.3673 3.3721 3.4230 3.4233 3.4360 3.4372 3.4592 3.4606 3.5734 3.5736 3.8899 3.8901 7.5040 7.5040 12.2606 12.2615 12.3243 12.3243 12.4245 12.4256 12.9385 12.9506 13.1381 13.1638 k = 0.2679 0.1546 0.9304 ( 4972 PWs) bands (ev): -27.4165 -27.4165 -27.3919 -27.3919 -21.5608 -21.5608 -16.0050 -16.0046 -16.0007 -16.0004 -15.1077 -15.1077 -14.9280 -14.9280 -14.8905 -14.8905 -10.4271 -10.4253 -10.2246 -10.2224 -9.3896 -9.3869 -9.2782 -9.2727 -9.1269 -9.1254 -9.0542 -9.0522 -5.2660 -5.2655 -3.8876 -3.8876 -3.0546 -3.0531 -3.0414 -3.0404 -0.3140 -0.3125 -0.3028 -0.3013 0.1601 0.1601 1.6817 1.6883 1.8803 1.8879 2.2688 2.2699 2.3419 2.3430 3.1999 3.2043 3.3674 3.3739 3.4191 3.4195 3.4359 3.4384 3.4584 3.4598 3.5723 3.5725 3.8953 3.8955 7.5078 7.5079 12.2396 12.2410 12.3407 12.3412 12.4579 12.4592 12.9082 12.9187 13.1471 13.1723 k = 0.2857 0.1650 0.9304 ( 4948 PWs) bands (ev): -27.4159 -27.4159 -27.3925 -27.3925 -21.5609 -21.5609 -16.0049 -16.0046 -16.0004 -16.0000 -15.1032 -15.1032 -14.9327 -14.9327 -14.8905 -14.8905 -10.4219 -10.4199 -10.2310 -10.2284 -9.3851 -9.3820 -9.2753 -9.2689 -9.1326 -9.1307 -9.0576 -9.0555 -5.2570 -5.2565 -3.8897 -3.8897 -3.0592 -3.0573 -3.0462 -3.0449 -0.3026 -0.3010 -0.2905 -0.2889 0.1501 0.1501 1.6663 1.6728 1.8772 1.8847 2.2575 2.2586 2.3384 2.3395 3.2176 3.2229 3.3689 3.3772 3.4149 3.4157 3.4365 3.4403 3.4576 3.4590 3.5714 3.5716 3.9000 3.9002 7.5116 7.5116 12.2178 12.2194 12.3573 12.3580 12.4930 12.4945 12.8788 12.8876 13.1587 13.1834 k = 0.3036 0.1753 0.9304 ( 4952 PWs) bands (ev): -27.4152 -27.4152 -27.3931 -27.3931 -21.5610 -21.5610 -16.0048 -16.0045 -16.0001 -15.9997 -15.0987 -15.0987 -14.9375 -14.9375 -14.8906 -14.8906 -10.4167 -10.4144 -10.2375 -10.2347 -9.3805 -9.3770 -9.2726 -9.2652 -9.1382 -9.1357 -9.0609 -9.0587 -5.2484 -5.2478 -3.8918 -3.8918 -3.0636 -3.0615 -3.0509 -3.0493 -0.2913 -0.2897 -0.2781 -0.2765 0.1396 0.1396 1.6520 1.6585 1.8740 1.8814 2.2464 2.2474 2.3350 2.3361 3.2327 3.2390 3.3717 3.3819 3.4108 3.4120 3.4377 3.4428 3.4567 3.4582 3.5705 3.5707 3.9039 3.9041 7.5152 7.5153 12.1957 12.1975 12.3737 12.3746 12.5297 12.5313 12.8505 12.8580 13.1722 13.1963 k = 0.3214 0.1856 0.9304 ( 4952 PWs) bands (ev): -27.4146 -27.4146 -27.3938 -27.3938 -21.5611 -21.5611 -16.0048 -16.0045 -15.9997 -15.9994 -15.0942 -15.0941 -14.9423 -14.9423 -14.8907 -14.8907 -10.4113 -10.4088 -10.2440 -10.2410 -9.3759 -9.3720 -9.2703 -9.2619 -9.1435 -9.1405 -9.0640 -9.0618 -5.2401 -5.2395 -3.8937 -3.8937 -3.0679 -3.0655 -3.0554 -3.0535 -0.2802 -0.2787 -0.2656 -0.2640 0.1289 0.1289 1.6390 1.6452 1.8710 1.8781 2.2357 2.2367 2.3318 2.3328 3.2453 3.2525 3.3757 3.3875 3.4069 3.4084 3.4395 3.4457 3.4558 3.4574 3.5697 3.5699 3.9071 3.9073 7.5187 7.5187 12.1739 12.1757 12.3897 12.3906 12.5678 12.5695 12.8238 12.8300 13.1871 13.2104 k = 0.3393 0.1959 0.9304 ( 4960 PWs) bands (ev): -27.4139 -27.4139 -27.3944 -27.3944 -21.5612 -21.5612 -16.0048 -16.0044 -15.9994 -15.9991 -15.0895 -15.0895 -14.9473 -14.9473 -14.8908 -14.8908 -10.4058 -10.4031 -10.2506 -10.2473 -9.3714 -9.3671 -9.2683 -9.2591 -9.1484 -9.1449 -9.0669 -9.0647 -5.2323 -5.2317 -3.8956 -3.8956 -3.0719 -3.0692 -3.0598 -3.0576 -0.2697 -0.2683 -0.2530 -0.2516 0.1181 0.1181 1.6273 1.6332 1.8680 1.8748 2.2254 2.2263 2.3287 2.3296 3.2556 3.2633 3.3807 3.3933 3.4033 3.4057 3.4418 3.4489 3.4550 3.4566 3.5690 3.5691 3.9097 3.9099 7.5219 7.5220 12.1529 12.1546 12.4050 12.4059 12.6070 12.6089 12.7991 12.8041 13.2027 13.2250 k = 0.3571 0.2062 0.9304 ( 4958 PWs) bands (ev): -27.4133 -27.4133 -27.3951 -27.3951 -21.5613 -21.5613 -16.0047 -16.0044 -15.9991 -15.9988 -15.0849 -15.0849 -14.9522 -14.9522 -14.8909 -14.8909 -10.4004 -10.3975 -10.2571 -10.2536 -9.3669 -9.3624 -9.2666 -9.2568 -9.1528 -9.1489 -9.0696 -9.0674 -5.2251 -5.2245 -3.8973 -3.8973 -3.0756 -3.0727 -3.0638 -3.0615 -0.2598 -0.2585 -0.2405 -0.2392 0.1072 0.1073 1.6169 1.6225 1.8652 1.8716 2.2158 2.2167 2.3258 2.3267 3.2639 3.2719 3.3859 3.3965 3.4005 3.4061 3.4445 3.4519 3.4543 3.4564 3.5684 3.5685 3.9117 3.9119 7.5249 7.5250 12.1330 12.1347 12.4195 12.4204 12.6472 12.6493 12.7766 12.7804 13.2182 13.2393 k = 0.3750 0.2165 0.9304 ( 4954 PWs) bands (ev): -27.4127 -27.4127 -27.3957 -27.3957 -21.5614 -21.5614 -16.0047 -16.0044 -15.9988 -15.9986 -15.0803 -15.0803 -14.9570 -14.9570 -14.8910 -14.8910 -10.3950 -10.3919 -10.2634 -10.2598 -9.3626 -9.3580 -9.2653 -9.2552 -9.1566 -9.1524 -9.0720 -9.0700 -5.2185 -5.2179 -3.8989 -3.8989 -3.0789 -3.0759 -3.0676 -3.0651 -0.2506 -0.2495 -0.2282 -0.2271 0.0966 0.0966 1.6079 1.6130 1.8626 1.8685 2.2070 2.2078 2.3232 2.3240 3.2705 3.2783 3.3900 3.3953 3.3997 3.4109 3.4474 3.4534 3.4537 3.4577 3.5679 3.5680 3.9132 3.9134 7.5276 7.5277 12.1147 12.1162 12.4329 12.4337 12.6877 12.6905 12.7568 12.7591 13.2319 13.2491 k = 0.3929 0.2268 0.9304 ( 4958 PWs) bands (ev): -27.4121 -27.4121 -27.3963 -27.3963 -21.5615 -21.5615 -16.0046 -16.0044 -15.9986 -15.9984 -15.0759 -15.0759 -14.9616 -14.9616 -14.8910 -14.8910 -10.3897 -10.3866 -10.2694 -10.2658 -9.3584 -9.3538 -9.2644 -9.2543 -9.1597 -9.1555 -9.0742 -9.0724 -5.2126 -5.2121 -3.9003 -3.9003 -3.0818 -3.0788 -3.0709 -3.0684 -0.2424 -0.2415 -0.2165 -0.2155 0.0863 0.0863 1.6002 1.6047 1.8604 1.8656 2.1991 2.1997 2.3209 2.3216 3.2759 3.2832 3.3904 3.3929 3.4029 3.4165 3.4501 3.4532 3.4536 3.4606 3.5674 3.5675 3.9143 3.9144 7.5301 7.5301 12.0982 12.0995 12.4449 12.4456 12.7235 12.7323 12.7403 12.7449 13.2175 13.2193 k = 0.4107 0.2371 0.9304 ( 4964 PWs) bands (ev): -27.4115 -27.4115 -27.3969 -27.3969 -21.5615 -21.5615 -16.0046 -16.0044 -15.9984 -15.9982 -15.0718 -15.0718 -14.9659 -14.9659 -14.8911 -14.8911 -10.3846 -10.3816 -10.2749 -10.2715 -9.3546 -9.3502 -9.2636 -9.2541 -9.1621 -9.1580 -9.0761 -9.0745 -5.2076 -5.2071 -3.9015 -3.9015 -3.0842 -3.0813 -3.0738 -3.0713 -0.2353 -0.2346 -0.2055 -0.2048 0.0766 0.0766 1.5937 1.5977 1.8584 1.8630 2.1922 2.1927 2.3189 2.3195 3.2802 3.2867 3.3889 3.3906 3.4082 3.4216 3.4513 3.4527 3.4552 3.4633 3.5670 3.5671 3.9151 3.9152 7.5321 7.5321 12.0838 12.0849 12.4555 12.4561 12.7199 12.7242 12.7745 12.7753 13.1838 13.1848 k = 0.4286 0.2474 0.9304 ( 4970 PWs) bands (ev): -27.4110 -27.4110 -27.3974 -27.3974 -21.5616 -21.5616 -16.0046 -16.0044 -15.9982 -15.9980 -15.0680 -15.0680 -14.9698 -14.9698 -14.8912 -14.8912 -10.3800 -10.3771 -10.2799 -10.2767 -9.3511 -9.3471 -9.2630 -9.2545 -9.1637 -9.1601 -9.0777 -9.0763 -5.2033 -5.2029 -3.9026 -3.9026 -3.0861 -3.0835 -3.0761 -3.0739 -0.2294 -0.2288 -0.1957 -0.1951 0.0678 0.0678 1.5886 1.5918 1.8569 1.8606 2.1864 2.1868 2.3173 2.3177 3.2836 3.2891 3.3873 3.3885 3.4137 3.4256 3.4512 3.4521 3.4580 3.4656 3.5667 3.5668 3.9156 3.9157 7.5339 7.5339 12.0717 12.0727 12.4644 12.4649 12.7082 12.7109 12.8166 12.8168 13.1480 13.1488 k = 0.4464 0.2577 0.9304 ( 4974 PWs) bands (ev): -27.4105 -27.4105 -27.3978 -27.3978 -21.5616 -21.5616 -16.0045 -16.0044 -15.9980 -15.9979 -15.0649 -15.0649 -14.9732 -14.9732 -14.8912 -14.8912 -10.3758 -10.3734 -10.2840 -10.2813 -9.3480 -9.3447 -9.2623 -9.2554 -9.1647 -9.1618 -9.0789 -9.0778 -5.2000 -5.1997 -3.9034 -3.9034 -3.0875 -3.0853 -3.0779 -3.0760 -0.2247 -0.2243 -0.1874 -0.1870 0.0604 0.0604 1.5848 1.5872 1.8557 1.8586 2.1818 2.1821 2.3160 2.3163 3.2864 3.2906 3.3859 3.3868 3.4188 3.4285 3.4510 3.4517 3.4607 3.4670 3.5665 3.5665 3.9160 3.9161 7.5352 7.5352 12.0622 12.0629 12.4715 12.4719 12.6986 12.7005 12.8583 12.8587 13.1111 13.1119 k = 0.4643 0.2681 0.9304 ( 4970 PWs) bands (ev): -27.4102 -27.4102 -27.3981 -27.3981 -21.5617 -21.5617 -16.0045 -16.0044 -15.9979 -15.9978 -15.0624 -15.0624 -14.9757 -14.9757 -14.8912 -14.8912 -10.3724 -10.3706 -10.2870 -10.2851 -9.3455 -9.3432 -9.2616 -9.2566 -9.1652 -9.1631 -9.0797 -9.0789 -5.1975 -5.1973 -3.9039 -3.9039 -3.0883 -3.0868 -3.0790 -3.0777 -0.2212 -0.2210 -0.1811 -0.1808 0.0547 0.0548 1.5821 1.5838 1.8550 1.8570 2.1785 2.1787 2.3150 2.3153 3.2885 3.2914 3.3849 3.3855 3.4231 3.4300 3.4509 3.4513 3.4632 3.4677 3.5663 3.5664 3.9162 3.9163 7.5362 7.5362 12.0553 12.0558 12.4767 12.4769 12.6917 12.6929 12.8993 12.8998 13.0737 13.0744 k = 0.4821 0.2784 0.9304 ( 4958 PWs) bands (ev): -27.4100 -27.4100 -27.3983 -27.3983 -21.5617 -21.5617 -16.0045 -16.0044 -15.9978 -15.9978 -15.0608 -15.0608 -14.9773 -14.9773 -14.8912 -14.8912 -10.3700 -10.3690 -10.2887 -10.2877 -9.3437 -9.3425 -9.2606 -9.2580 -9.1651 -9.1641 -9.0801 -9.0797 -5.1960 -5.1959 -3.9043 -3.9043 -3.0887 -3.0879 -3.0795 -3.0788 -0.2191 -0.2189 -0.1770 -0.1768 0.0512 0.0512 1.5808 1.5816 1.8548 1.8558 2.1765 2.1766 2.3145 2.3146 3.2901 3.2915 3.3844 3.3846 3.4266 3.4302 3.4509 3.4511 3.4652 3.4676 3.5663 3.5663 3.9164 3.9164 7.5368 7.5368 12.0512 12.0515 12.4798 12.4800 12.6876 12.6882 12.9375 12.9380 13.0378 13.0384 k = 0.5000 0.2887 0.9304 ( 4960 PWs) bands (ev): -27.4099 -27.4099 -27.3984 -27.3984 -21.5617 -21.5617 -16.0044 -16.0044 -15.9978 -15.9978 -15.0603 -15.0603 -14.9778 -14.9778 -14.8912 -14.8912 -10.3688 -10.3688 -10.2889 -10.2889 -9.3427 -9.3427 -9.2594 -9.2594 -9.1648 -9.1648 -9.0801 -9.0801 -5.1955 -5.1955 -3.9044 -3.9044 -3.0885 -3.0885 -3.0794 -3.0794 -0.2183 -0.2183 -0.1756 -0.1756 0.0499 0.0499 1.5806 1.5806 1.8551 1.8551 2.1759 2.1759 2.3144 2.3144 3.2911 3.2911 3.3843 3.3843 3.4290 3.4290 3.4509 3.4509 3.4667 3.4667 3.5662 3.5662 3.9164 3.9164 7.5370 7.5370 12.0499 12.0499 12.4809 12.4809 12.6865 12.6865 12.9598 12.9598 13.0168 13.0168 k = 0.5000 0.2887 0.9304 ( 4960 PWs) bands (ev): -27.4099 -27.4099 -27.3984 -27.3984 -21.5617 -21.5617 -16.0044 -16.0044 -15.9978 -15.9978 -15.0603 -15.0603 -14.9778 -14.9778 -14.8912 -14.8912 -10.3688 -10.3688 -10.2889 -10.2889 -9.3427 -9.3427 -9.2594 -9.2594 -9.1648 -9.1648 -9.0801 -9.0801 -5.1955 -5.1955 -3.9044 -3.9044 -3.0885 -3.0885 -3.0794 -3.0794 -0.2183 -0.2183 -0.1756 -0.1756 0.0499 0.0499 1.5806 1.5806 1.8551 1.8551 2.1759 2.1759 2.3144 2.3144 3.2911 3.2911 3.3843 3.3843 3.4290 3.4290 3.4509 3.4509 3.4667 3.4667 3.5662 3.5662 3.9164 3.9164 7.5370 7.5370 12.0499 12.0499 12.4809 12.4809 12.6865 12.6865 12.9598 12.9598 13.0168 13.0168 k = 0.4896 0.3067 0.9304 ( 4960 PWs) bands (ev): -27.4099 -27.4099 -27.3984 -27.3984 -21.5617 -21.5617 -16.0044 -16.0044 -15.9978 -15.9978 -15.0602 -15.0602 -14.9780 -14.9780 -14.8912 -14.8912 -10.3687 -10.3687 -10.2891 -10.2891 -9.3427 -9.3427 -9.2593 -9.2593 -9.1647 -9.1647 -9.0802 -9.0802 -5.1954 -5.1954 -3.9044 -3.9044 -3.0886 -3.0886 -3.0795 -3.0795 -0.2180 -0.2180 -0.1751 -0.1751 0.0495 0.0495 1.5812 1.5812 1.8542 1.8542 2.1761 2.1761 2.3139 2.3139 3.2916 3.2916 3.3836 3.3836 3.4291 3.4291 3.4517 3.4517 3.4669 3.4669 3.5660 3.5660 3.9160 3.9160 7.5371 7.5371 12.0480 12.0480 12.4823 12.4823 12.6886 12.6886 12.9593 12.9593 13.0168 13.0168 k = 0.4792 0.3248 0.9304 ( 4972 PWs) bands (ev): -27.4098 -27.4098 -27.3985 -27.3985 -21.5617 -21.5617 -16.0044 -16.0044 -15.9978 -15.9978 -15.0596 -15.0596 -14.9785 -14.9785 -14.8913 -14.8913 -10.3684 -10.3684 -10.2895 -10.2895 -9.3429 -9.3429 -9.2590 -9.2590 -9.1646 -9.1646 -9.0803 -9.0803 -5.1951 -5.1951 -3.9046 -3.9046 -3.0889 -3.0889 -3.0797 -3.0797 -0.2173 -0.2173 -0.1738 -0.1738 0.0481 0.0481 1.5829 1.5829 1.8517 1.8517 2.1768 2.1768 2.3124 2.3124 3.2931 3.2931 3.3817 3.3817 3.4293 3.4293 3.4538 3.4538 3.4675 3.4675 3.5654 3.5654 3.9148 3.9148 7.5372 7.5372 12.0424 12.0424 12.4862 12.4862 12.6947 12.6947 12.9580 12.9580 13.0167 13.0167 k = 0.4688 0.3428 0.9304 ( 4966 PWs) bands (ev): -27.4097 -27.4097 -27.3986 -27.3986 -21.5617 -21.5617 -16.0043 -16.0043 -15.9979 -15.9979 -15.0588 -15.0588 -14.9794 -14.9794 -14.8913 -14.8913 -10.3677 -10.3677 -10.2903 -10.2903 -9.3432 -9.3432 -9.2585 -9.2585 -9.1644 -9.1644 -9.0805 -9.0805 -5.1946 -5.1946 -3.9048 -3.9048 -3.0894 -3.0894 -3.0801 -3.0801 -0.2161 -0.2161 -0.1714 -0.1714 0.0458 0.0458 1.5859 1.5859 1.8475 1.8475 2.1780 2.1780 2.3099 2.3099 3.2955 3.2955 3.3789 3.3789 3.4296 3.4296 3.4571 3.4571 3.4685 3.4685 3.5644 3.5644 3.9129 3.9129 7.5375 7.5375 12.0336 12.0336 12.4927 12.4927 12.7045 12.7045 12.9557 12.9557 13.0165 13.0165 k = 0.4583 0.3608 0.9304 ( 4970 PWs) bands (ev): -27.4095 -27.4095 -27.3988 -27.3988 -21.5617 -21.5617 -16.0041 -16.0041 -15.9980 -15.9980 -15.0576 -15.0576 -14.9806 -14.9806 -14.8914 -14.8914 -10.3669 -10.3669 -10.2913 -10.2913 -9.3436 -9.3436 -9.2579 -9.2579 -9.1641 -9.1641 -9.0809 -9.0809 -5.1939 -5.1939 -3.9050 -3.9050 -3.0900 -3.0900 -3.0806 -3.0806 -0.2144 -0.2144 -0.1682 -0.1682 0.0425 0.0425 1.5899 1.5899 1.8417 1.8417 2.1796 2.1796 2.3065 2.3065 3.2987 3.2987 3.3754 3.3754 3.4302 3.4302 3.4612 3.4612 3.4697 3.4697 3.5630 3.5630 3.9102 3.9102 7.5379 7.5379 12.0222 12.0222 12.5016 12.5016 12.7172 12.7172 12.9526 12.9526 13.0161 13.0161 k = 0.4479 0.3789 0.9304 ( 4966 PWs) bands (ev): -27.4093 -27.4093 -27.3990 -27.3990 -21.5618 -21.5618 -16.0039 -16.0039 -15.9981 -15.9981 -15.0560 -15.0560 -14.9821 -14.9821 -14.8914 -14.8914 -10.3658 -10.3658 -10.2927 -10.2927 -9.3441 -9.3441 -9.2571 -9.2571 -9.1638 -9.1638 -9.0813 -9.0813 -5.1931 -5.1931 -3.9053 -3.9053 -3.0908 -3.0908 -3.0812 -3.0812 -0.2124 -0.2124 -0.1640 -0.1640 0.0384 0.0384 1.5951 1.5951 1.8345 1.8345 2.1817 2.1817 2.3022 2.3022 3.3026 3.3026 3.3715 3.3715 3.4310 3.4310 3.4660 3.4660 3.4713 3.4713 3.5612 3.5612 3.9070 3.9070 7.5383 7.5383 12.0087 12.0088 12.5129 12.5129 12.7322 12.7322 12.9487 12.9487 13.0154 13.0154 k = 0.4375 0.3969 0.9304 ( 4970 PWs) bands (ev): -27.4090 -27.4090 -27.3993 -27.3993 -21.5618 -21.5618 -16.0037 -16.0037 -15.9982 -15.9982 -15.0541 -15.0541 -14.9840 -14.9840 -14.8916 -14.8916 -10.3645 -10.3645 -10.2943 -10.2943 -9.3445 -9.3445 -9.2563 -9.2563 -9.1634 -9.1634 -9.0817 -9.0817 -5.1921 -5.1921 -3.9057 -3.9057 -3.0918 -3.0918 -3.0819 -3.0819 -0.2101 -0.2101 -0.1589 -0.1589 0.0333 0.0333 1.6012 1.6012 1.8259 1.8259 2.1842 2.1842 2.2971 2.2971 3.3070 3.3070 3.3674 3.3674 3.4321 3.4321 3.4710 3.4710 3.4731 3.4731 3.5590 3.5590 3.9032 3.9032 7.5388 7.5388 11.9941 11.9941 12.5264 12.5264 12.7488 12.7488 12.9441 12.9441 13.0143 13.0143 k = 0.4271 0.4150 0.9304 ( 4970 PWs) bands (ev): -27.4087 -27.4087 -27.3996 -27.3996 -21.5618 -21.5618 -16.0035 -16.0035 -15.9983 -15.9983 -15.0519 -15.0519 -14.9862 -14.9862 -14.8917 -14.8917 -10.3629 -10.3629 -10.2961 -10.2961 -9.3450 -9.3450 -9.2555 -9.2555 -9.1629 -9.1629 -9.0823 -9.0823 -5.1910 -5.1910 -3.9061 -3.9061 -3.0928 -3.0928 -3.0826 -3.0826 -0.2077 -0.2077 -0.1528 -0.1528 0.0274 0.0274 1.6084 1.6084 1.8161 1.8161 2.1871 2.1871 2.2914 2.2914 3.3116 3.3116 3.3633 3.3633 3.4336 3.4336 3.4744 3.4744 3.4768 3.4768 3.5565 3.5565 3.8991 3.8991 7.5394 7.5394 11.9789 11.9789 12.5418 12.5418 12.7662 12.7662 12.9389 12.9389 13.0126 13.0126 k = 0.4167 0.4330 0.9304 ( 4968 PWs) bands (ev): -27.4084 -27.4084 -27.4000 -27.4000 -21.5618 -21.5618 -16.0033 -16.0033 -15.9985 -15.9985 -15.0494 -15.0494 -14.9887 -14.9887 -14.8917 -14.8917 -10.3611 -10.3611 -10.2982 -10.2982 -9.3454 -9.3454 -9.2548 -9.2548 -9.1624 -9.1624 -9.0829 -9.0829 -5.1898 -5.1898 -3.9065 -3.9065 -3.0939 -3.0939 -3.0834 -3.0834 -0.2052 -0.2052 -0.1457 -0.1457 0.0206 0.0206 1.6164 1.6164 1.8053 1.8053 2.1904 2.1904 2.2850 2.2850 3.3162 3.3162 3.3594 3.3594 3.4356 3.4356 3.4762 3.4762 3.4822 3.4822 3.5537 3.5537 3.8948 3.8948 7.5400 7.5400 11.9638 11.9638 12.5589 12.5589 12.7839 12.7839 12.9333 12.9334 13.0101 13.0101 k = 0.4062 0.4511 0.9304 ( 4964 PWs) bands (ev): -27.4080 -27.4080 -27.4004 -27.4004 -21.5618 -21.5618 -16.0030 -16.0030 -15.9987 -15.9987 -15.0466 -15.0466 -14.9915 -14.9915 -14.8918 -14.8918 -10.3591 -10.3591 -10.3006 -10.3006 -9.3457 -9.3457 -9.2541 -9.2541 -9.1618 -9.1618 -9.0835 -9.0835 -5.1885 -5.1885 -3.9070 -3.9070 -3.0950 -3.0950 -3.0843 -3.0843 -0.2026 -0.2026 -0.1377 -0.1377 0.0130 0.0130 1.6253 1.6253 1.7936 1.7936 2.1941 2.1941 2.2782 2.2782 3.3207 3.3207 3.3557 3.3557 3.4381 3.4381 3.4777 3.4777 3.4877 3.4877 3.5505 3.5505 3.8903 3.8903 7.5407 7.5407 11.9493 11.9493 12.5771 12.5771 12.8015 12.8015 12.9277 12.9277 13.0067 13.0067 k = 0.3958 0.4691 0.9304 ( 4960 PWs) bands (ev): -27.4075 -27.4075 -27.4008 -27.4008 -21.5619 -21.5619 -16.0027 -16.0027 -15.9989 -15.9989 -15.0434 -15.0434 -14.9947 -14.9947 -14.8919 -14.8919 -10.3568 -10.3568 -10.3031 -10.3031 -9.3460 -9.3460 -9.2535 -9.2535 -9.1612 -9.1612 -9.0842 -9.0842 -5.1873 -5.1873 -3.9074 -3.9074 -3.0961 -3.0961 -3.0851 -3.0851 -0.2001 -0.2001 -0.1289 -0.1289 0.0046 0.0046 1.6349 1.6349 1.7812 1.7812 2.1982 2.1982 2.2711 2.2711 3.3248 3.3248 3.3523 3.3523 3.4412 3.4412 3.4789 3.4789 3.4932 3.4932 3.5472 3.5472 3.8860 3.8860 7.5413 7.5413 11.9358 11.9358 12.5961 12.5961 12.8186 12.8186 12.9223 12.9223 13.0021 13.0021 k = 0.3854 0.4871 0.9304 ( 4962 PWs) bands (ev): -27.4071 -27.4071 -27.4013 -27.4013 -21.5619 -21.5619 -16.0024 -16.0024 -15.9991 -15.9991 -15.0400 -15.0400 -14.9981 -14.9981 -14.8920 -14.8920 -10.3545 -10.3545 -10.3057 -10.3057 -9.3461 -9.3461 -9.2530 -9.2530 -9.1606 -9.1606 -9.0848 -9.0848 -5.1861 -5.1861 -3.9078 -3.9078 -3.0971 -3.0971 -3.0859 -3.0859 -0.1979 -0.1979 -0.1192 -0.1192 -0.0046 -0.0046 1.6451 1.6451 1.7683 1.7683 2.2026 2.2026 2.2637 2.2637 3.3284 3.3284 3.3493 3.3493 3.4448 3.4448 3.4796 3.4796 3.4985 3.4985 3.5436 3.5436 3.8819 3.8819 7.5419 7.5419 11.9237 11.9237 12.6151 12.6151 12.8350 12.8350 12.9176 12.9176 12.9957 12.9957 k = 0.3750 0.5052 0.9304 ( 4962 PWs) bands (ev): -27.4065 -27.4065 -27.4018 -27.4018 -21.5619 -21.5619 -16.0022 -16.0022 -15.9992 -15.9992 -15.0363 -15.0363 -15.0018 -15.0018 -14.8921 -14.8921 -10.3520 -10.3520 -10.3085 -10.3085 -9.3462 -9.3462 -9.2526 -9.2526 -9.1601 -9.1601 -9.0854 -9.0854 -5.1850 -5.1850 -3.9082 -3.9082 -3.0980 -3.0980 -3.0866 -3.0866 -0.1958 -0.1958 -0.1088 -0.1088 -0.0146 -0.0146 1.6560 1.6560 1.7551 1.7551 2.2073 2.2073 2.2563 2.2563 3.3314 3.3314 3.3468 3.3468 3.4488 3.4488 3.4797 3.4797 3.5038 3.5038 3.5397 3.5397 3.8783 3.8783 7.5424 7.5424 11.9134 11.9134 12.6332 12.6332 12.8504 12.8504 12.9145 12.9145 12.9845 12.9846 k = 0.3646 0.5232 0.9304 ( 4974 PWs) bands (ev): -27.4060 -27.4060 -27.4023 -27.4023 -21.5619 -21.5619 -16.0019 -16.0019 -15.9994 -15.9994 -15.0324 -15.0324 -15.0058 -15.0058 -14.8921 -14.8921 -10.3496 -10.3496 -10.3111 -10.3111 -9.3462 -9.3462 -9.2524 -9.2524 -9.1597 -9.1597 -9.0860 -9.0860 -5.1840 -5.1840 -3.9085 -3.9085 -3.0988 -3.0988 -3.0872 -3.0872 -0.1941 -0.1941 -0.0978 -0.0978 -0.0253 -0.0253 1.6672 1.6672 1.7417 1.7417 2.2123 2.2123 2.2489 2.2489 3.3336 3.3336 3.3447 3.3447 3.4530 3.4530 3.4791 3.4791 3.5088 3.5088 3.5357 3.5357 3.8754 3.8754 7.5429 7.5429 11.9051 11.9051 12.6492 12.6492 12.8647 12.8647 12.9137 12.9137 12.9659 12.9659 k = 0.3542 0.5413 0.9304 ( 4970 PWs) bands (ev): -27.4054 -27.4054 -27.4029 -27.4029 -21.5619 -21.5619 -16.0017 -16.0017 -15.9996 -15.9996 -15.0282 -15.0282 -15.0100 -15.0100 -14.8922 -14.8922 -10.3474 -10.3474 -10.3135 -10.3135 -9.3461 -9.3461 -9.2522 -9.2522 -9.1593 -9.1593 -9.0864 -9.0864 -5.1833 -5.1833 -3.9088 -3.9088 -3.0994 -3.0994 -3.0877 -3.0877 -0.1928 -0.1928 -0.0861 -0.0861 -0.0367 -0.0367 1.6789 1.6789 1.7285 1.7285 2.2176 2.2176 2.2419 2.2419 3.3352 3.3352 3.3432 3.3432 3.4571 3.4571 3.4779 3.4779 3.5137 3.5137 3.5316 3.5316 3.8731 3.8731 7.5433 7.5433 11.8990 11.8990 12.6618 12.6618 12.8774 12.8774 12.9157 12.9157 12.9492 12.9492 k = 0.3438 0.5593 0.9304 ( 4970 PWs) bands (ev): -27.4048 -27.4048 -27.4035 -27.4035 -21.5620 -21.5620 -16.0016 -16.0016 -15.9997 -15.9997 -15.0237 -15.0237 -15.0144 -15.0144 -14.8922 -14.8922 -10.3457 -10.3457 -10.3152 -10.3152 -9.3460 -9.3460 -9.2522 -9.2522 -9.1591 -9.1591 -9.0867 -9.0867 -5.1828 -5.1828 -3.9090 -3.9090 -3.0998 -3.0998 -3.0880 -3.0880 -0.1919 -0.1919 -0.0739 -0.0739 -0.0487 -0.0487 1.6909 1.6909 1.7155 1.7155 2.2232 2.2232 2.2351 2.2351 3.3362 3.3362 3.3422 3.3422 3.4606 3.4606 3.4764 3.4764 3.5183 3.5183 3.5274 3.5274 3.8718 3.8718 7.5435 7.5435 11.8952 11.8952 12.6698 12.6698 12.8877 12.8877 12.9187 12.9187 12.9400 12.9400 k = 0.3333 0.5774 0.9304 ( 4950 PWs) bands (ev): -27.4042 -27.4042 -27.4042 -27.4042 -21.5620 -21.5620 -16.0015 -16.0015 -15.9997 -15.9997 -15.0190 -15.0190 -15.0190 -15.0190 -14.8921 -14.8921 -10.3451 -10.3451 -10.3159 -10.3159 -9.3460 -9.3460 -9.2522 -9.2522 -9.1590 -9.1590 -9.0868 -9.0868 -5.1826 -5.1826 -3.9090 -3.9090 -3.0999 -3.0999 -3.0881 -3.0881 -0.1915 -0.1915 -0.0618 -0.0618 -0.0606 -0.0606 1.7024 1.7024 1.7036 1.7036 2.2289 2.2289 2.2290 2.2290 3.3365 3.3365 3.3419 3.3419 3.4621 3.4621 3.4756 3.4756 3.5217 3.5217 3.5242 3.5242 3.8713 3.8713 7.5436 7.5436 11.8939 11.8939 12.6726 12.6726 12.8920 12.8920 12.9189 12.9189 12.9430 12.9430 k = 0.3333 0.5774 0.9304 ( 4950 PWs) bands (ev): -27.4042 -27.4042 -27.4042 -27.4042 -21.5620 -21.5620 -16.0015 -16.0015 -15.9997 -15.9997 -15.0190 -15.0190 -15.0190 -15.0190 -14.8921 -14.8921 -10.3451 -10.3451 -10.3159 -10.3159 -9.3460 -9.3460 -9.2522 -9.2522 -9.1590 -9.1590 -9.0868 -9.0868 -5.1826 -5.1826 -3.9090 -3.9090 -3.0999 -3.0999 -3.0881 -3.0881 -0.1915 -0.1915 -0.0618 -0.0618 -0.0606 -0.0606 1.7024 1.7024 1.7036 1.7036 2.2289 2.2289 2.2290 2.2290 3.3365 3.3365 3.3419 3.3419 3.4621 3.4621 3.4756 3.4756 3.5217 3.5217 3.5242 3.5242 3.8713 3.8713 7.5436 7.5436 11.8939 11.8939 12.6726 12.6726 12.8920 12.8920 12.9189 12.9189 12.9430 12.9430 k = 0.3229 0.5593 0.9304 ( 4962 PWs) bands (ev): -27.4048 -27.4048 -27.4035 -27.4035 -21.5620 -21.5620 -16.0016 -16.0016 -15.9997 -15.9997 -15.0239 -15.0239 -15.0142 -15.0142 -14.8922 -14.8922 -10.3458 -10.3458 -10.3152 -10.3152 -9.3460 -9.3460 -9.2522 -9.2522 -9.1591 -9.1591 -9.0867 -9.0867 -5.1828 -5.1828 -3.9089 -3.9089 -3.0998 -3.0998 -3.0880 -3.0880 -0.1919 -0.1919 -0.0743 -0.0743 -0.0482 -0.0482 1.6911 1.6911 1.7153 1.7153 2.2234 2.2234 2.2349 2.2349 3.3362 3.3362 3.3423 3.3423 3.4604 3.4604 3.4765 3.4765 3.5184 3.5184 3.5274 3.5274 3.8718 3.8718 7.5435 7.5435 11.8952 11.8952 12.6700 12.6700 12.8886 12.8886 12.9163 12.9163 12.9382 12.9382 k = 0.3125 0.5413 0.9304 ( 4980 PWs) bands (ev): -27.4055 -27.4055 -27.4028 -27.4028 -21.5619 -21.5619 -16.0017 -16.0017 -15.9996 -15.9996 -15.0289 -15.0289 -15.0093 -15.0093 -14.8922 -14.8922 -10.3479 -10.3479 -10.3129 -10.3129 -9.3463 -9.3463 -9.2522 -9.2522 -9.1593 -9.1593 -9.0863 -9.0863 -5.1834 -5.1834 -3.9088 -3.9088 -3.0994 -3.0994 -3.0876 -3.0876 -0.1930 -0.1930 -0.0880 -0.0880 -0.0349 -0.0349 1.6801 1.6801 1.7276 1.7276 2.2187 2.2187 2.2411 2.2411 3.3354 3.3354 3.3432 3.3432 3.4561 3.4561 3.4785 3.4785 3.5141 3.5141 3.5313 3.5313 3.8731 3.8731 7.5432 7.5432 11.8991 11.8991 12.6626 12.6626 12.8823 12.8823 12.9027 12.9027 12.9435 12.9435 k = 0.3021 0.5232 0.9304 ( 4984 PWs) bands (ev): -27.4062 -27.4062 -27.4021 -27.4021 -21.5619 -21.5619 -16.0019 -16.0019 -15.9995 -15.9995 -15.0341 -15.0341 -15.0042 -15.0042 -14.8922 -14.8922 -10.3511 -10.3511 -10.3095 -10.3095 -9.3467 -9.3467 -9.2522 -9.2522 -9.1596 -9.1596 -9.0857 -9.0857 -5.1845 -5.1845 -3.9084 -3.9084 -3.0986 -3.0986 -3.0869 -3.0869 -0.1948 -0.1948 -0.1020 -0.1020 -0.0214 -0.0214 1.6700 1.6700 1.7398 1.7398 2.2149 2.2149 2.2473 2.2473 3.3340 3.3340 3.3448 3.3448 3.4502 3.4502 3.4804 3.4804 3.5097 3.5097 3.5351 3.5351 3.8751 3.8751 7.5427 7.5427 11.9057 11.9057 12.6514 12.6514 12.8737 12.8737 12.8867 12.8867 12.9533 12.9533 k = 0.2917 0.5052 0.9304 ( 4980 PWs) bands (ev): -27.4069 -27.4069 -27.4014 -27.4014 -21.5619 -21.5619 -16.0021 -16.0021 -15.9994 -15.9994 -15.0393 -15.0393 -14.9989 -14.9989 -14.8921 -14.8921 -10.3551 -10.3551 -10.3052 -10.3052 -9.3474 -9.3474 -9.2522 -9.2522 -9.1599 -9.1599 -9.0848 -9.0848 -5.1862 -5.1862 -3.9079 -3.9079 -3.0975 -3.0975 -3.0859 -3.0859 -0.1974 -0.1974 -0.1164 -0.1164 -0.0077 -0.0077 1.6610 1.6610 1.7519 1.7519 2.2121 2.2121 2.2537 2.2537 3.3322 3.3322 3.3470 3.3470 3.4434 3.4434 3.4816 3.4816 3.5054 3.5054 3.5387 3.5387 3.8778 3.8778 7.5419 7.5419 11.9150 11.9150 12.6372 12.6372 12.8553 12.8553 12.8797 12.8797 12.9639 12.9639 k = 0.2812 0.4871 0.9304 ( 4964 PWs) bands (ev): -27.4077 -27.4077 -27.4007 -27.4007 -21.5619 -21.5619 -16.0023 -16.0023 -15.9993 -15.9993 -15.0446 -15.0446 -14.9934 -14.9934 -14.8920 -14.8920 -10.3596 -10.3596 -10.3003 -10.3003 -9.3484 -9.3484 -9.2522 -9.2522 -9.1601 -9.1601 -9.0837 -9.0837 -5.1885 -5.1885 -3.9073 -3.9073 -3.0960 -3.0960 -3.0845 -3.0845 -0.2008 -0.2008 -0.1310 -0.1310 0.0062 0.0062 1.6533 1.6533 1.7639 1.7639 2.2104 2.2104 2.2602 2.2602 3.3299 3.3299 3.3497 3.3497 3.4359 3.4359 3.4819 3.4819 3.5012 3.5012 3.5421 3.5421 3.8810 3.8810 7.5409 7.5409 11.9269 11.9269 12.6205 12.6205 12.8309 12.8309 12.8789 12.8789 12.9746 12.9746 k = 0.2708 0.4691 0.9304 ( 4968 PWs) bands (ev): -27.4084 -27.4084 -27.3999 -27.3999 -21.5618 -21.5618 -16.0025 -16.0025 -15.9992 -15.9992 -15.0499 -15.0499 -14.9880 -14.9880 -14.8920 -14.8920 -10.3645 -10.3645 -10.2949 -10.2949 -9.3499 -9.3499 -9.2523 -9.2523 -9.1601 -9.1601 -9.0823 -9.0823 -5.1913 -5.1913 -3.9065 -3.9065 -3.0942 -3.0942 -3.0827 -3.0827 -0.2052 -0.2052 -0.1459 -0.1459 0.0200 0.0200 1.6470 1.6470 1.7755 1.7755 2.2098 2.2098 2.2667 2.2667 3.3270 3.3270 3.3529 3.3529 3.4279 3.4279 3.4813 3.4813 3.4972 3.4972 3.5453 3.5453 3.8844 3.8844 7.5397 7.5397 11.9414 11.9414 12.6020 12.6020 12.8041 12.8041 12.8811 12.8811 12.9852 12.9852 k = 0.2604 0.4511 0.9304 ( 4972 PWs) bands (ev): -27.4092 -27.4092 -27.3992 -27.3992 -21.5618 -21.5618 -16.0027 -16.0027 -15.9992 -15.9992 -15.0554 -15.0554 -14.9825 -14.9825 -14.8919 -14.8919 -10.3697 -10.3697 -10.2892 -10.2892 -9.3517 -9.3517 -9.2525 -9.2525 -9.1599 -9.1599 -9.0807 -9.0807 -5.1949 -5.1949 -3.9055 -3.9055 -3.0921 -3.0921 -3.0806 -3.0806 -0.2104 -0.2104 -0.1611 -0.1611 0.0337 0.0337 1.6422 1.6422 1.7869 1.7869 2.2104 2.2104 2.2732 2.2732 3.3234 3.3234 3.3566 3.3566 3.4199 3.4199 3.4796 3.4796 3.4932 3.4932 3.5483 3.5483 3.8879 3.8879 7.5381 7.5381 11.9584 11.9584 12.5821 12.5821 12.7753 12.7753 12.8859 12.8859 12.9957 12.9957 k = 0.2500 0.4330 0.9304 ( 4968 PWs) bands (ev): -27.4099 -27.4099 -27.3984 -27.3984 -21.5617 -21.5617 -16.0029 -16.0029 -15.9992 -15.9992 -15.0608 -15.0608 -14.9769 -14.9769 -14.8918 -14.8918 -10.3751 -10.3751 -10.2832 -10.2832 -9.3540 -9.3540 -9.2529 -9.2529 -9.1592 -9.1592 -9.0788 -9.0788 -5.1991 -5.1991 -3.9044 -3.9044 -3.0896 -3.0896 -3.0781 -3.0781 -0.2165 -0.2165 -0.1763 -0.1763 0.0474 0.0474 1.6391 1.6391 1.7979 1.7979 2.2122 2.2122 2.2798 2.2798 3.3190 3.3190 3.3608 3.3608 3.4118 3.4118 3.4769 3.4769 3.4895 3.4895 3.5511 3.5511 3.8914 3.8914 7.5363 7.5363 11.9777 11.9777 12.5611 12.5611 12.7451 12.7451 12.8931 12.8931 13.0058 13.0058 k = 0.2396 0.4150 0.9304 ( 4964 PWs) bands (ev): -27.4107 -27.4107 -27.3977 -27.3977 -21.5616 -21.5616 -16.0031 -16.0031 -15.9993 -15.9993 -15.0662 -15.0662 -14.9713 -14.9713 -14.8916 -14.8916 -10.3807 -10.3807 -10.2769 -10.2769 -9.3566 -9.3566 -9.2537 -9.2537 -9.1580 -9.1580 -9.0767 -9.0767 -5.2040 -5.2040 -3.9031 -3.9031 -3.0868 -3.0868 -3.0752 -3.0752 -0.2234 -0.2234 -0.1916 -0.1916 0.0610 0.0610 1.6376 1.6376 1.8084 1.8084 2.2151 2.2151 2.2863 2.2863 3.3137 3.3137 3.3654 3.3654 3.4041 3.4041 3.4734 3.4734 3.4859 3.4859 3.5538 3.5538 3.8945 3.8945 7.5342 7.5342 11.9992 11.9992 12.5393 12.5393 12.7136 12.7136 12.9026 12.9026 13.0154 13.0154 k = 0.2292 0.3969 0.9304 ( 4964 PWs) bands (ev): -27.4114 -27.4114 -27.3969 -27.3969 -21.5616 -21.5616 -16.0034 -16.0034 -15.9993 -15.9993 -15.0717 -15.0717 -14.9657 -14.9657 -14.8915 -14.8915 -10.3863 -10.3863 -10.2705 -10.2705 -9.3597 -9.3597 -9.2548 -9.2548 -9.1562 -9.1562 -9.0744 -9.0744 -5.2095 -5.2095 -3.9016 -3.9016 -3.0836 -3.0836 -3.0719 -3.0719 -0.2313 -0.2313 -0.2068 -0.2068 0.0743 0.0743 1.6380 1.6380 1.8185 1.8185 2.2193 2.2193 2.2928 2.2928 3.3071 3.3071 3.3703 3.3703 3.3967 3.3967 3.4692 3.4692 3.4826 3.4826 3.5563 3.5563 3.8972 3.8972 7.5318 7.5318 12.0228 12.0228 12.5169 12.5169 12.6811 12.6811 12.9141 12.9141 13.0244 13.0244 k = 0.2188 0.3789 0.9304 ( 4968 PWs) bands (ev): -27.4122 -27.4122 -27.3962 -27.3962 -21.5615 -21.5615 -16.0035 -16.0035 -15.9995 -15.9995 -15.0770 -15.0770 -14.9601 -14.9601 -14.8914 -14.8914 -10.3920 -10.3920 -10.2639 -10.2639 -9.3631 -9.3631 -9.2564 -9.2564 -9.1536 -9.1536 -9.0719 -9.0719 -5.2157 -5.2157 -3.9000 -3.9000 -3.0802 -3.0802 -3.0683 -3.0683 -0.2399 -0.2399 -0.2220 -0.2220 0.0873 0.0873 1.6401 1.6401 1.8281 1.8281 2.2245 2.2245 2.2992 2.2992 3.2991 3.2991 3.3754 3.3754 3.3900 3.3900 3.4645 3.4645 3.4796 3.4796 3.5586 3.5586 3.8994 3.8994 7.5291 7.5291 12.0481 12.0481 12.4941 12.4941 12.6480 12.6480 12.9274 12.9274 13.0325 13.0325 k = 0.2083 0.3608 0.9304 ( 4956 PWs) bands (ev): -27.4129 -27.4129 -27.3954 -27.3954 -21.5614 -21.5614 -16.0037 -16.0037 -15.9996 -15.9996 -15.0823 -15.0823 -14.9546 -14.9546 -14.8913 -14.8913 -10.3977 -10.3977 -10.2573 -10.2573 -9.3668 -9.3668 -9.2585 -9.2585 -9.1505 -9.1505 -9.0692 -9.0692 -5.2226 -5.2226 -3.8983 -3.8983 -3.0764 -3.0764 -3.0645 -3.0645 -0.2492 -0.2492 -0.2369 -0.2369 0.1001 0.1001 1.6441 1.6441 1.8371 1.8371 2.2308 2.2308 2.3055 2.3055 3.2895 3.2895 3.3799 3.3799 3.3850 3.3850 3.4597 3.4597 3.4769 3.4769 3.5608 3.5608 3.9007 3.9007 7.5262 7.5262 12.0749 12.0749 12.4711 12.4711 12.6145 12.6145 12.9424 12.9424 13.0397 13.0397 k = 0.1979 0.3428 0.9304 ( 4960 PWs) bands (ev): -27.4137 -27.4137 -27.3947 -27.3947 -21.5613 -21.5613 -16.0039 -16.0039 -15.9998 -15.9998 -15.0875 -15.0875 -14.9492 -14.9492 -14.8911 -14.8911 -10.4034 -10.4034 -10.2506 -10.2506 -9.3708 -9.3708 -9.2610 -9.2610 -9.1466 -9.1466 -9.0663 -9.0663 -5.2300 -5.2300 -3.8964 -3.8964 -3.0724 -3.0724 -3.0603 -3.0603 -0.2591 -0.2591 -0.2517 -0.2517 0.1125 0.1125 1.6500 1.6500 1.8456 1.8456 2.2380 2.2380 2.3117 2.3117 3.2779 3.2779 3.3777 3.3777 3.3876 3.3876 3.4549 3.4549 3.4745 3.4745 3.5629 3.5629 3.9013 3.9013 7.5231 7.5231 12.1027 12.1027 12.4481 12.4481 12.5807 12.5807 12.9589 12.9589 13.0456 13.0456 k = 0.1875 0.3248 0.9304 ( 4952 PWs) bands (ev): -27.4144 -27.4144 -27.3940 -27.3940 -21.5612 -21.5612 -16.0041 -16.0041 -16.0000 -16.0000 -15.0925 -15.0925 -14.9439 -14.9439 -14.8910 -14.8910 -10.4091 -10.4091 -10.2440 -10.2440 -9.3750 -9.3750 -9.2639 -9.2639 -9.1423 -9.1423 -9.0633 -9.0633 -5.2380 -5.2380 -3.8944 -3.8944 -3.0682 -3.0682 -3.0559 -3.0559 -0.2696 -0.2696 -0.2661 -0.2661 0.1246 0.1246 1.6577 1.6577 1.8535 1.8535 2.2461 2.2461 2.3178 2.3178 3.2642 3.2642 3.3736 3.3736 3.3932 3.3932 3.4505 3.4505 3.4723 3.4723 3.5649 3.5649 3.9008 3.9008 7.5197 7.5197 12.1314 12.1314 12.4253 12.4253 12.5471 12.5471 12.9764 12.9764 13.0504 13.0504 k = 0.1771 0.3067 0.9304 ( 4970 PWs) bands (ev): -27.4151 -27.4151 -27.3933 -27.3933 -21.5611 -21.5611 -16.0042 -16.0042 -16.0002 -16.0002 -15.0974 -15.0974 -14.9388 -14.9388 -14.8908 -14.8908 -10.4147 -10.4147 -10.2374 -10.2374 -9.3793 -9.3793 -9.2671 -9.2671 -9.1374 -9.1374 -9.0602 -9.0602 -5.2464 -5.2464 -3.8924 -3.8924 -3.0638 -3.0638 -3.0514 -3.0514 -0.2812 -0.2812 -0.2796 -0.2796 0.1361 0.1361 1.6672 1.6672 1.8608 1.8608 2.2549 2.2549 2.3236 2.3236 3.2484 3.2484 3.3704 3.3704 3.3990 3.3990 3.4466 3.4466 3.4704 3.4704 3.5667 3.5667 3.8994 3.8994 7.5161 7.5161 12.1602 12.1602 12.4028 12.4028 12.5139 12.5139 12.9947 12.9947 13.0542 13.0542 k = 0.1667 0.2887 0.9304 ( 4972 PWs) bands (ev): -27.4157 -27.4157 -27.3927 -27.3927 -21.5610 -21.5610 -16.0044 -16.0044 -16.0005 -16.0005 -15.1022 -15.1022 -14.9337 -14.9337 -14.8907 -14.8907 -10.4201 -10.4201 -10.2309 -10.2309 -9.3838 -9.3838 -9.2706 -9.2706 -9.1323 -9.1323 -9.0570 -9.0570 -5.2552 -5.2552 -3.8902 -3.8902 -3.0593 -3.0593 -3.0467 -3.0467 -0.2944 -0.2944 -0.2913 -0.2913 0.1472 0.1472 1.6785 1.6785 1.8675 1.8675 2.2643 2.2643 2.3293 2.3293 3.2303 3.2303 3.3682 3.3682 3.4049 3.4049 3.4435 3.4435 3.4688 3.4688 3.5685 3.5685 3.8970 3.8970 7.5124 7.5124 12.1888 12.1888 12.3806 12.3806 12.4812 12.4812 13.0132 13.0132 13.0577 13.0577 k = 0.1562 0.2706 0.9304 ( 4968 PWs) bands (ev): -27.4164 -27.4164 -27.3920 -27.3920 -21.5608 -21.5608 -16.0045 -16.0045 -16.0007 -16.0007 -15.1068 -15.1068 -14.9289 -14.9289 -14.8906 -14.8906 -10.4255 -10.4255 -10.2245 -10.2245 -9.3883 -9.3883 -9.2742 -9.2742 -9.1269 -9.1269 -9.0536 -9.0536 -5.2643 -5.2643 -3.8881 -3.8881 -3.0547 -3.0547 -3.0420 -3.0420 -0.3075 -0.3075 -0.3028 -0.3028 0.1578 0.1578 1.6914 1.6914 1.8736 1.8736 2.2741 2.2741 2.3348 2.3348 3.2102 3.2102 3.3671 3.3671 3.4106 3.4106 3.4411 3.4411 3.4675 3.4675 3.5702 3.5702 3.8935 3.8935 7.5086 7.5086 12.2166 12.2166 12.3591 12.3591 12.4494 12.4494 13.0309 13.0309 13.0624 13.0624 k = 0.1458 0.2526 0.9304 ( 4972 PWs) bands (ev): -27.4170 -27.4170 -27.3914 -27.3914 -21.5607 -21.5607 -16.0047 -16.0047 -16.0010 -16.0010 -15.1111 -15.1111 -14.9242 -14.9242 -14.8905 -14.8905 -10.4306 -10.4306 -10.2183 -10.2183 -9.3928 -9.3928 -9.2780 -9.2780 -9.1214 -9.1214 -9.0502 -9.0502 -5.2735 -5.2735 -3.8858 -3.8858 -3.0500 -3.0500 -3.0372 -3.0372 -0.3202 -0.3202 -0.3142 -0.3142 0.1679 0.1679 1.7059 1.7059 1.8792 1.8792 2.2842 2.2842 2.3400 2.3400 3.1882 3.1882 3.3672 3.3672 3.4161 3.4161 3.4395 3.4395 3.4665 3.4665 3.5718 3.5718 3.8889 3.8889 7.5046 7.5046 12.2429 12.2429 12.3384 12.3384 12.4187 12.4187 13.0452 13.0452 13.0712 13.0712 k = 0.1354 0.2345 0.9304 ( 4968 PWs) bands (ev): -27.4176 -27.4176 -27.3908 -27.3908 -21.5606 -21.5606 -16.0048 -16.0048 -16.0013 -16.0013 -15.1153 -15.1153 -14.9197 -14.9197 -14.8903 -14.8903 -10.4356 -10.4356 -10.2123 -10.2123 -9.3972 -9.3972 -9.2819 -9.2819 -9.1159 -9.1159 -9.0466 -9.0466 -5.2829 -5.2829 -3.8836 -3.8836 -3.0454 -3.0454 -3.0324 -3.0324 -0.3322 -0.3322 -0.3255 -0.3255 0.1774 0.1774 1.7217 1.7217 1.8841 1.8841 2.2944 2.2944 2.3450 2.3450 3.1645 3.1645 3.3683 3.3683 3.4213 3.4213 3.4388 3.4388 3.4657 3.4657 3.5734 3.5734 3.8834 3.8834 7.5007 7.5007 12.2669 12.2669 12.3188 12.3188 12.3894 12.3894 13.0550 13.0550 13.0861 13.0861 k = 0.1250 0.2165 0.9304 ( 4964 PWs) bands (ev): -27.4181 -27.4181 -27.3903 -27.3903 -21.5605 -21.5605 -16.0049 -16.0049 -16.0015 -16.0015 -15.1192 -15.1192 -14.9155 -14.9155 -14.8902 -14.8902 -10.4403 -10.4403 -10.2066 -10.2066 -9.4016 -9.4016 -9.2856 -9.2856 -9.1105 -9.1105 -9.0430 -9.0430 -5.2921 -5.2921 -3.8815 -3.8815 -3.0409 -3.0409 -3.0277 -3.0277 -0.3436 -0.3436 -0.3366 -0.3366 0.1863 0.1863 1.7387 1.7387 1.8886 1.8886 2.3046 2.3046 2.3497 2.3497 3.1396 3.1396 3.3704 3.3704 3.4258 3.4258 3.4392 3.4392 3.4651 3.4651 3.5750 3.5750 3.8769 3.8769 7.4968 7.4968 12.2857 12.2857 12.3025 12.3025 12.3617 12.3617 13.0635 13.0635 13.1045 13.1045 k = 0.1146 0.1985 0.9304 ( 4964 PWs) bands (ev): -27.4187 -27.4187 -27.3898 -27.3898 -21.5604 -21.5604 -16.0051 -16.0051 -16.0018 -16.0018 -15.1228 -15.1228 -14.9116 -14.9116 -14.8901 -14.8901 -10.4447 -10.4447 -10.2012 -10.2012 -9.4058 -9.4058 -9.2893 -9.2893 -9.1054 -9.1054 -9.0394 -9.0394 -5.3013 -5.3013 -3.8793 -3.8793 -3.0365 -3.0365 -3.0231 -3.0231 -0.3543 -0.3543 -0.3474 -0.3474 0.1946 0.1946 1.7566 1.7566 1.8925 1.8925 2.3147 2.3147 2.3541 2.3541 3.1138 3.1138 3.3734 3.3734 3.4293 3.4293 3.4408 3.4408 3.4648 3.4648 3.5765 3.5765 3.8696 3.8696 7.4929 7.4929 12.2786 12.2786 12.3089 12.3089 12.3372 12.3372 13.0736 13.0736 13.1238 13.1238 k = 0.1042 0.1804 0.9304 ( 4956 PWs) bands (ev): -27.4191 -27.4191 -27.3893 -27.3893 -21.5603 -21.5603 -16.0052 -16.0052 -16.0020 -16.0020 -15.1262 -15.1262 -14.9079 -14.9079 -14.8900 -14.8900 -10.4489 -10.4489 -10.1961 -10.1961 -9.4097 -9.4097 -9.2929 -9.2929 -9.1005 -9.1005 -9.0358 -9.0358 -5.3101 -5.3101 -3.8773 -3.8773 -3.0323 -3.0323 -3.0187 -3.0187 -0.3642 -0.3642 -0.3577 -0.3577 0.2023 0.2023 1.7750 1.7750 1.8961 1.8961 2.3244 2.3244 2.3581 2.3581 3.0875 3.0875 3.3770 3.3770 3.4319 3.4319 3.4435 3.4435 3.4647 3.4647 3.5779 3.5779 3.8616 3.8616 7.4891 7.4891 12.2624 12.2624 12.3060 12.3060 12.3311 12.3311 13.0864 13.0864 13.1432 13.1432 k = 0.0938 0.1624 0.9304 ( 4952 PWs) bands (ev): -27.4196 -27.4196 -27.3888 -27.3888 -21.5602 -21.5602 -16.0053 -16.0053 -16.0022 -16.0022 -15.1293 -15.1293 -14.9045 -14.9045 -14.8899 -14.8899 -10.4527 -10.4527 -10.1914 -10.1914 -9.4135 -9.4135 -9.2963 -9.2963 -9.0960 -9.0960 -9.0322 -9.0322 -5.3185 -5.3185 -3.8753 -3.8753 -3.0284 -3.0284 -3.0146 -3.0146 -0.3734 -0.3734 -0.3674 -0.3674 0.2093 0.2093 1.7938 1.7938 1.8992 1.8992 2.3336 2.3336 2.3619 2.3619 3.0612 3.0612 3.3812 3.3812 3.4341 3.4341 3.4468 3.4468 3.4647 3.4647 3.5793 3.5793 3.8531 3.8531 7.4856 7.4856 12.2467 12.2467 12.2857 12.2857 12.3419 12.3419 13.1020 13.1020 13.1622 13.1622 k = 0.0833 0.1443 0.9304 ( 4944 PWs) bands (ev): -27.4200 -27.4200 -27.3884 -27.3884 -21.5601 -21.5601 -16.0055 -16.0055 -16.0024 -16.0024 -15.1321 -15.1321 -14.9014 -14.9014 -14.8898 -14.8898 -10.4563 -10.4563 -10.1871 -10.1871 -9.4169 -9.4169 -9.2994 -9.2994 -9.0920 -9.0920 -9.0288 -9.0288 -5.3265 -5.3265 -3.8735 -3.8735 -3.0247 -3.0247 -3.0107 -3.0107 -0.3817 -0.3817 -0.3764 -0.3764 0.2156 0.2156 1.8124 1.8124 1.9020 1.9020 2.3423 2.3423 2.3653 2.3653 3.0353 3.0353 3.3857 3.3857 3.4362 3.4362 3.4502 3.4502 3.4649 3.4649 3.5807 3.5807 3.8443 3.8443 7.4822 7.4822 12.2321 12.2321 12.2658 12.2658 12.3517 12.3517 13.1202 13.1202 13.1806 13.1806 k = 0.0729 0.1263 0.9304 ( 4948 PWs) bands (ev): -27.4203 -27.4203 -27.3881 -27.3881 -21.5600 -21.5600 -16.0056 -16.0056 -16.0026 -16.0026 -15.1346 -15.1346 -14.8987 -14.8987 -14.8897 -14.8897 -10.4594 -10.4594 -10.1833 -10.1833 -9.4201 -9.4201 -9.3022 -9.3022 -9.0884 -9.0884 -9.0256 -9.0256 -5.3337 -5.3337 -3.8718 -3.8718 -3.0214 -3.0214 -3.0071 -3.0071 -0.3891 -0.3891 -0.3846 -0.3846 0.2212 0.2212 1.8303 1.8303 1.9045 1.9045 2.3503 2.3503 2.3684 2.3684 3.0105 3.0105 3.3901 3.3901 3.4384 3.4384 3.4535 3.4535 3.4652 3.4652 3.5819 3.5819 3.8354 3.8354 7.4791 7.4791 12.2188 12.2188 12.2480 12.2480 12.3592 12.3592 13.1401 13.1401 13.1983 13.1983 k = 0.0625 0.1083 0.9304 ( 4948 PWs) bands (ev): -27.4207 -27.4207 -27.3878 -27.3878 -21.5599 -21.5599 -16.0057 -16.0057 -16.0027 -16.0027 -15.1368 -15.1368 -14.8963 -14.8963 -14.8897 -14.8897 -10.4622 -10.4622 -10.1799 -10.1799 -9.4229 -9.4229 -9.3048 -9.3048 -9.0852 -9.0852 -9.0226 -9.0226 -5.3403 -5.3403 -3.8703 -3.8703 -3.0184 -3.0184 -3.0040 -3.0040 -0.3957 -0.3957 -0.3919 -0.3919 0.2261 0.2261 1.8470 1.8470 1.9070 1.9070 2.3574 2.3574 2.3710 2.3710 2.9873 2.9873 3.3943 3.3943 3.4409 3.4409 3.4563 3.4563 3.4658 3.4658 3.5831 3.5831 3.8267 3.8267 7.4763 7.4763 12.2067 12.2067 12.2326 12.2326 12.3646 12.3646 13.1607 13.1607 13.2150 13.2150 k = 0.0521 0.0902 0.9304 ( 4932 PWs) bands (ev): -27.4209 -27.4209 -27.3875 -27.3875 -21.5599 -21.5599 -16.0058 -16.0058 -16.0028 -16.0028 -15.1386 -15.1386 -14.8942 -14.8942 -14.8896 -14.8896 -10.4646 -10.4646 -10.1770 -10.1770 -9.4253 -9.4253 -9.3069 -9.3069 -9.0826 -9.0826 -9.0199 -9.0199 -5.3460 -5.3460 -3.8690 -3.8690 -3.0158 -3.0158 -3.0012 -3.0012 -0.4013 -0.4013 -0.3982 -0.3982 0.2303 0.2303 1.8619 1.8619 1.9096 1.9096 2.3636 2.3636 2.3734 2.3734 2.9662 2.9662 3.3980 3.3980 3.4436 3.4436 3.4586 3.4586 3.4665 3.4665 3.5843 3.5843 3.8185 3.8185 7.4738 7.4738 12.1961 12.1961 12.2197 12.2197 12.3683 12.3683 13.1805 13.1805 13.2308 13.2308 k = 0.0417 0.0722 0.9304 ( 4924 PWs) bands (ev): -27.4211 -27.4211 -27.3873 -27.3873 -21.5598 -21.5598 -16.0059 -16.0059 -16.0029 -16.0029 -15.1401 -15.1401 -14.8925 -14.8925 -14.8895 -14.8895 -10.4665 -10.4665 -10.1745 -10.1745 -9.4273 -9.4273 -9.3088 -9.3088 -9.0804 -9.0804 -9.0176 -9.0176 -5.3508 -5.3508 -3.8679 -3.8679 -3.0137 -3.0137 -2.9989 -2.9989 -0.4059 -0.4059 -0.4033 -0.4033 0.2337 0.2337 1.8742 1.8742 1.9125 1.9125 2.3687 2.3687 2.3753 2.3753 2.9479 2.9479 3.4010 3.4010 3.4462 3.4462 3.4604 3.4604 3.4674 3.4674 3.5852 3.5852 3.8111 3.8111 7.4718 7.4718 12.1870 12.1870 12.2093 12.2093 12.3707 12.3707 13.1982 13.1982 13.2455 13.2455 k = 0.0312 0.0541 0.9304 ( 4932 PWs) bands (ev): -27.4213 -27.4213 -27.3871 -27.3871 -21.5598 -21.5598 -16.0060 -16.0060 -16.0030 -16.0030 -15.1413 -15.1413 -14.8912 -14.8912 -14.8895 -14.8895 -10.4681 -10.4681 -10.1726 -10.1726 -9.4289 -9.4289 -9.3102 -9.3102 -9.0787 -9.0787 -9.0157 -9.0157 -5.3546 -5.3546 -3.8670 -3.8670 -3.0120 -3.0120 -2.9971 -2.9971 -0.4097 -0.4097 -0.4074 -0.4074 0.2363 0.2363 1.8833 1.8833 1.9158 1.9158 2.3727 2.3727 2.3769 2.3769 2.9330 2.9330 3.4033 3.4033 3.4487 3.4487 3.4616 3.4616 3.4684 3.4684 3.5860 3.5860 3.8050 3.8050 7.4701 7.4701 12.1797 12.1797 12.2013 12.2013 12.3722 12.3722 13.2125 13.2125 13.2585 13.2585 k = 0.0208 0.0361 0.9304 ( 4948 PWs) bands (ev): -27.4214 -27.4214 -27.3870 -27.3870 -21.5597 -21.5597 -16.0061 -16.0061 -16.0030 -16.0030 -15.1422 -15.1422 -14.8902 -14.8902 -14.8896 -14.8896 -10.4692 -10.4692 -10.1713 -10.1713 -9.4300 -9.4300 -9.3113 -9.3113 -9.0775 -9.0775 -9.0144 -9.0144 -5.3574 -5.3574 -3.8664 -3.8664 -3.0108 -3.0108 -2.9957 -2.9957 -0.4125 -0.4125 -0.4103 -0.4103 0.2382 0.2382 1.8891 1.8891 1.9192 1.9192 2.3753 2.3753 2.3783 2.3783 2.9219 2.9219 3.4050 3.4050 3.4506 3.4506 3.4624 3.4624 3.4693 3.4693 3.5866 3.5866 3.8003 3.8003 7.4689 7.4689 12.1743 12.1743 12.1957 12.1957 12.3730 12.3730 13.2228 13.2228 13.2690 13.2690 k = 0.0104 0.0180 0.9304 ( 4948 PWs) bands (ev): -27.4215 -27.4215 -27.3869 -27.3869 -21.5597 -21.5597 -16.0061 -16.0061 -16.0031 -16.0031 -15.1427 -15.1427 -14.8897 -14.8897 -14.8895 -14.8895 -10.4699 -10.4699 -10.1705 -10.1705 -9.4307 -9.4307 -9.3119 -9.3119 -9.0768 -9.0768 -9.0135 -9.0135 -5.3590 -5.3590 -3.8660 -3.8660 -3.0101 -3.0101 -2.9949 -2.9949 -0.4142 -0.4142 -0.4120 -0.4120 0.2394 0.2394 1.8922 1.8922 1.9218 1.9218 2.3768 2.3768 2.3793 2.3793 2.9150 2.9150 3.4059 3.4059 3.4519 3.4519 3.4628 3.4628 3.4699 3.4699 3.5870 3.5870 3.7973 3.7973 7.4682 7.4682 12.1710 12.1710 12.1924 12.1924 12.3734 12.3734 13.2291 13.2291 13.2759 13.2759 k = 0.0000 0.0000 0.9304 ( 4958 PWs) bands (ev): -27.4216 -27.4216 -27.3869 -27.3869 -21.5597 -21.5597 -16.0061 -16.0061 -16.0031 -16.0031 -15.1429 -15.1429 -14.8896 -14.8896 -14.8895 -14.8895 -10.4701 -10.4701 -10.1702 -10.1702 -9.4310 -9.4310 -9.3121 -9.3121 -9.0766 -9.0766 -9.0133 -9.0133 -5.3596 -5.3596 -3.8659 -3.8659 -3.0098 -3.0098 -2.9947 -2.9947 -0.4148 -0.4148 -0.4125 -0.4125 0.2397 0.2397 1.8931 1.8931 1.9228 1.9228 2.3772 2.3772 2.3797 2.3797 2.9127 2.9127 3.4063 3.4063 3.4523 3.4523 3.4630 3.4630 3.4701 3.4701 3.5872 3.5872 3.7964 3.7964 7.4680 7.4680 12.1699 12.1699 12.1913 12.1913 12.3735 12.3735 13.2311 13.2311 13.2783 13.2783 k = 0.5000 0.2887 0.9304 ( 4960 PWs) bands (ev): -27.4099 -27.4099 -27.3984 -27.3984 -21.5617 -21.5617 -16.0044 -16.0044 -15.9978 -15.9978 -15.0603 -15.0603 -14.9778 -14.9778 -14.8912 -14.8912 -10.3688 -10.3688 -10.2889 -10.2889 -9.3427 -9.3427 -9.2594 -9.2594 -9.1648 -9.1648 -9.0801 -9.0801 -5.1955 -5.1955 -3.9044 -3.9044 -3.0885 -3.0885 -3.0794 -3.0794 -0.2183 -0.2183 -0.1756 -0.1756 0.0499 0.0499 1.5806 1.5806 1.8551 1.8551 2.1759 2.1759 2.3144 2.3144 3.2911 3.2911 3.3843 3.3843 3.4290 3.4290 3.4509 3.4509 3.4667 3.4667 3.5662 3.5662 3.9164 3.9164 7.5370 7.5370 12.0499 12.0499 12.4809 12.4809 12.6865 12.6865 12.9598 12.9598 13.0168 13.0168 k = 0.5000 0.2887 0.9097 ( 4962 PWs) bands (ev): -27.4100 -27.4100 -27.3985 -27.3985 -21.5617 -21.5617 -16.0045 -16.0045 -15.9978 -15.9978 -15.0603 -15.0601 -14.9779 -14.9778 -14.8914 -14.8914 -10.3700 -10.3672 -10.2899 -10.2877 -9.3447 -9.3400 -9.2594 -9.2587 -9.1654 -9.1639 -9.0815 -9.0785 -5.1956 -5.1956 -3.9038 -3.9038 -3.0887 -3.0886 -3.0796 -3.0795 -0.2183 -0.2179 -0.1756 -0.1755 0.0498 0.0501 1.5808 1.5810 1.8551 1.8554 2.1763 2.1765 2.3147 2.3147 3.2901 3.2916 3.3833 3.3849 3.4274 3.4295 3.4405 3.4435 3.4770 3.4774 3.5655 3.5677 3.9163 3.9165 7.5374 7.5374 12.0486 12.0495 12.4789 12.4791 12.6882 12.6888 12.9576 12.9585 13.0152 13.0162 k = 0.5000 0.2887 0.8890 ( 4972 PWs) bands (ev): -27.4102 -27.4102 -27.3987 -27.3987 -21.5619 -21.5619 -16.0046 -16.0046 -15.9980 -15.9980 -15.0600 -15.0596 -14.9781 -14.9778 -14.8919 -14.8918 -10.3706 -10.3650 -10.2907 -10.2863 -9.3460 -9.3366 -9.2589 -9.2575 -9.1660 -9.1629 -9.0828 -9.0767 -5.1960 -5.1959 -3.9020 -3.9019 -3.0891 -3.0889 -3.0800 -3.0798 -0.2178 -0.2171 -0.1755 -0.1753 0.0495 0.0501 1.5817 1.5820 1.8556 1.8560 2.1777 2.1780 2.3158 2.3158 3.2887 3.2917 3.3812 3.3847 3.4252 3.4267 3.4273 3.4353 3.4937 3.4938 3.5656 3.5699 3.9162 3.9167 7.5386 7.5386 12.0454 12.0472 12.4731 12.4736 12.6940 12.6950 12.9521 12.9538 13.0113 13.0134 k = 0.5000 0.2887 0.8684 ( 4968 PWs) bands (ev): -27.4105 -27.4105 -27.3990 -27.3990 -21.5621 -21.5621 -16.0049 -16.0049 -15.9983 -15.9983 -15.0593 -15.0589 -14.9782 -14.9778 -14.8926 -14.8926 -10.3707 -10.3624 -10.2912 -10.2846 -9.3466 -9.3327 -9.2577 -9.2556 -9.1664 -9.1618 -9.0839 -9.0747 -5.1965 -5.1965 -3.8989 -3.8989 -3.0897 -3.0895 -3.0807 -3.0804 -0.2169 -0.2158 -0.1753 -0.1750 0.0493 0.0501 1.5832 1.5836 1.8563 1.8570 2.1800 2.1805 2.3176 2.3176 3.2868 3.2912 3.3768 3.3824 3.4172 3.4207 3.4228 3.4332 3.5112 3.5117 3.5665 3.5727 3.9161 3.9170 7.5406 7.5406 12.0405 12.0431 12.4640 12.4648 12.7033 12.7047 12.9431 12.9458 13.0053 13.0085 k = 0.5000 0.2887 0.8477 ( 4964 PWs) bands (ev): -27.4110 -27.4110 -27.3995 -27.3995 -21.5624 -21.5624 -16.0052 -16.0052 -15.9987 -15.9987 -15.0585 -15.0579 -14.9784 -14.9779 -14.8937 -14.8937 -10.3703 -10.3592 -10.2914 -10.2827 -9.3465 -9.3281 -9.2559 -9.2532 -9.1667 -9.1604 -9.0849 -9.0725 -5.1973 -5.1972 -3.8946 -3.8946 -3.0906 -3.0902 -3.0816 -3.0812 -0.2155 -0.2140 -0.1749 -0.1747 0.0489 0.0500 1.5854 1.5859 1.8574 1.8583 2.1833 2.1839 2.3201 2.3201 3.2845 3.2901 3.3692 3.3756 3.4129 3.4177 3.4201 3.4324 3.5294 3.5301 3.5681 3.5759 3.9161 3.9172 7.5434 7.5434 12.0338 12.0372 12.4520 12.4531 12.7157 12.7171 12.9309 12.9344 12.9972 13.0014 k = 0.5000 0.2887 0.8270 ( 4968 PWs) bands (ev): -27.4116 -27.4116 -27.4000 -27.4000 -21.5628 -21.5628 -16.0057 -16.0057 -15.9992 -15.9992 -15.0573 -15.0566 -14.9787 -14.9781 -14.8951 -14.8951 -10.3694 -10.3556 -10.2914 -10.2807 -9.3457 -9.3230 -9.2535 -9.2502 -9.1669 -9.1588 -9.0856 -9.0701 -5.1982 -5.1982 -3.8891 -3.8891 -3.0917 -3.0912 -3.0827 -3.0822 -0.2137 -0.2119 -0.1746 -0.1742 0.0485 0.0499 1.5882 1.5888 1.8589 1.8600 2.1875 2.1883 2.3233 2.3233 3.2815 3.2882 3.3589 3.3651 3.4141 3.4176 3.4185 3.4317 3.5480 3.5489 3.5704 3.5796 3.9160 3.9175 7.5469 7.5470 12.0254 12.0294 12.4374 12.4389 12.7306 12.7317 12.9153 12.9199 12.9871 12.9923 k = 0.5000 0.2887 0.8063 ( 4972 PWs) bands (ev): -27.4124 -27.4124 -27.4008 -27.4008 -21.5633 -21.5633 -16.0062 -16.0062 -15.9998 -15.9998 -15.0559 -15.0551 -14.9790 -14.9783 -14.8968 -14.8968 -10.3680 -10.3516 -10.2911 -10.2784 -9.3443 -9.3173 -9.2503 -9.2466 -9.1671 -9.1571 -9.0862 -9.0675 -5.1994 -5.1993 -3.8825 -3.8824 -3.0930 -3.0924 -3.0840 -3.0835 -0.2115 -0.2094 -0.1741 -0.1737 0.0480 0.0496 1.5915 1.5923 1.8607 1.8620 2.1926 2.1936 2.3272 2.3272 3.2779 3.2855 3.3474 3.3530 3.4154 3.4184 3.4217 3.4315 3.5668 3.5679 3.5733 3.5835 3.9161 3.9179 7.5512 7.5513 12.0152 12.0199 12.4206 12.4226 12.7473 12.7478 12.8968 12.9026 12.9749 12.9812 k = 0.5000 0.2887 0.7857 ( 4948 PWs) bands (ev): -27.4133 -27.4133 -27.4016 -27.4016 -21.5638 -21.5638 -16.0069 -16.0068 -16.0005 -16.0005 -15.0543 -15.0532 -14.9793 -14.9784 -14.8988 -14.8987 -10.3661 -10.3471 -10.2905 -10.2760 -9.3422 -9.3112 -9.2465 -9.2425 -9.1672 -9.1552 -9.0866 -9.0647 -5.2008 -5.2007 -3.8747 -3.8746 -3.0945 -3.0938 -3.0856 -3.0849 -0.2088 -0.2063 -0.1735 -0.1730 0.0475 0.0494 1.5955 1.5964 1.8628 1.8643 2.1987 2.1998 2.3317 2.3317 3.2735 3.2817 3.3356 3.3408 3.4139 3.4248 3.4253 3.4331 3.5764 3.5857 3.5872 3.5877 3.9162 3.9184 7.5563 7.5564 12.0034 12.0086 12.4019 12.4043 12.7642 12.7653 12.8757 12.8833 12.9609 12.9682 k = 0.5000 0.2887 0.7650 ( 4948 PWs) bands (ev): -27.4143 -27.4143 -27.4025 -27.4025 -21.5644 -21.5644 -16.0076 -16.0075 -16.0013 -16.0013 -15.0524 -15.0512 -14.9797 -14.9787 -14.9011 -14.9010 -10.3637 -10.3422 -10.2896 -10.2734 -9.3394 -9.3046 -9.2420 -9.2378 -9.1673 -9.1531 -9.0868 -9.0616 -5.2023 -5.2022 -3.8658 -3.8657 -3.0962 -3.0955 -3.0873 -3.0866 -0.2058 -0.2030 -0.1729 -0.1724 0.0468 0.0490 1.6000 1.6011 1.8652 1.8669 2.2056 2.2069 2.3369 2.3369 3.2683 3.2769 3.3241 3.3289 3.4130 3.4269 3.4325 3.4384 3.5800 3.5916 3.6049 3.6064 3.9164 3.9190 7.5622 7.5623 11.9898 11.9955 12.3813 12.3841 12.7784 12.7824 12.8536 12.8642 12.9448 12.9533 k = 0.5000 0.2887 0.7443 ( 4960 PWs) bands (ev): -27.4154 -27.4154 -27.4036 -27.4036 -21.5651 -21.5651 -16.0084 -16.0083 -16.0022 -16.0022 -15.0503 -15.0490 -14.9801 -14.9791 -14.9036 -14.9035 -10.3609 -10.3369 -10.2885 -10.2706 -9.3361 -9.2978 -9.2368 -9.2326 -9.1673 -9.1508 -9.0868 -9.0583 -5.2041 -5.2039 -3.8558 -3.8557 -3.0981 -3.0973 -3.0893 -3.0885 -0.2024 -0.1994 -0.1722 -0.1716 0.0460 0.0484 1.6051 1.6063 1.8679 1.8698 2.2134 2.2148 2.3427 2.3427 3.2622 3.2709 3.3131 3.3175 3.4131 3.4276 3.4413 3.4464 3.5838 3.5958 3.6239 3.6256 3.9167 3.9197 7.5687 7.5688 11.9744 11.9805 12.3589 12.3621 12.7831 12.7906 12.8387 12.8524 12.9269 12.9365 k = 0.5000 0.2887 0.7236 ( 4956 PWs) bands (ev): -27.4166 -27.4166 -27.4047 -27.4047 -21.5659 -21.5659 -16.0093 -16.0092 -16.0032 -16.0032 -15.0480 -15.0466 -14.9806 -14.9794 -14.9064 -14.9063 -10.3576 -10.3313 -10.2871 -10.2677 -9.3321 -9.2906 -9.2308 -9.2268 -9.1674 -9.1485 -9.0866 -9.0548 -5.2060 -5.2058 -3.8448 -3.8447 -3.1002 -3.0994 -3.0914 -3.0905 -0.1987 -0.1953 -0.1714 -0.1708 0.0452 0.0477 1.6107 1.6120 1.8708 1.8729 2.2220 2.2235 2.3490 2.3491 3.2552 3.2638 3.3028 3.3070 3.4141 3.4285 3.4512 3.4558 3.5877 3.6000 3.6427 3.6446 3.9171 3.9206 7.5759 7.5761 11.9572 11.9636 12.3349 12.3385 12.7690 12.7740 12.8465 12.8567 12.9069 12.9175 k = 0.5000 0.2887 0.7030 ( 4970 PWs) bands (ev): -27.4179 -27.4179 -27.4060 -27.4060 -21.5667 -21.5667 -16.0102 -16.0102 -16.0043 -16.0042 -15.0455 -15.0440 -14.9811 -14.9799 -14.9094 -14.9093 -10.3538 -10.3253 -10.2855 -10.2646 -9.3276 -9.2833 -9.2241 -9.2205 -9.1674 -9.1461 -9.0860 -9.0510 -5.2080 -5.2079 -3.8328 -3.8327 -3.1026 -3.1016 -3.0937 -3.0928 -0.1946 -0.1909 -0.1706 -0.1700 0.0441 0.0469 1.6168 1.6182 1.8740 1.8763 2.2313 2.2330 2.3559 2.3560 3.2473 3.2556 3.2932 3.2972 3.4160 3.4299 3.4619 3.4662 3.5917 3.6041 3.6613 3.6636 3.9176 3.9216 7.5838 7.5840 11.9381 11.9447 12.3093 12.3133 12.7411 12.7432 12.8662 12.8691 12.8875 12.8960 k = 0.5000 0.2887 0.6823 ( 4968 PWs) bands (ev): -27.4194 -27.4194 -27.4073 -27.4073 -21.5676 -21.5676 -16.0113 -16.0112 -16.0055 -16.0054 -15.0428 -15.0412 -14.9816 -14.9803 -14.9126 -14.9125 -10.3497 -10.3191 -10.2835 -10.2615 -9.3226 -9.2758 -9.2167 -9.2137 -9.1675 -9.1436 -9.0852 -9.0471 -5.2102 -5.2100 -3.8199 -3.8198 -3.1050 -3.1040 -3.0961 -3.0951 -0.1902 -0.1862 -0.1697 -0.1691 0.0429 0.0459 1.6234 1.6249 1.8775 1.8799 2.2414 2.2433 2.3634 2.3634 3.2385 3.2465 3.2845 3.2883 3.4188 3.4319 3.4734 3.4775 3.5958 3.6081 3.6797 3.6822 3.9183 3.9229 7.5923 7.5925 11.9171 11.9238 12.2823 12.2866 12.7065 12.7070 12.8542 12.8709 12.8893 12.8958 k = 0.5000 0.2887 0.6616 ( 4964 PWs) bands (ev): -27.4209 -27.4209 -27.4088 -27.4088 -21.5686 -21.5686 -16.0124 -16.0123 -16.0067 -16.0066 -15.0399 -15.0382 -14.9822 -14.9809 -14.9161 -14.9159 -10.3452 -10.3126 -10.2813 -10.2582 -9.3172 -9.2682 -9.2085 -9.2065 -9.1675 -9.1411 -9.0840 -9.0429 -5.2125 -5.2123 -3.8061 -3.8059 -3.1077 -3.1066 -3.0987 -3.0976 -0.1855 -0.1813 -0.1688 -0.1682 0.0417 0.0448 1.6304 1.6320 1.8811 1.8837 2.2521 2.2542 2.3713 2.3714 3.2288 3.2363 3.2767 3.2803 3.4225 3.4346 3.4856 3.4896 3.5999 3.6120 3.6977 3.7006 3.9191 3.9244 7.6015 7.6017 11.8939 11.9007 12.2538 12.2584 12.6674 12.6678 12.8243 12.8420 12.9125 12.9157 k = 0.5000 0.2887 0.6409 ( 4962 PWs) bands (ev): -27.4225 -27.4225 -27.4103 -27.4103 -21.5696 -21.5696 -16.0135 -16.0135 -16.0080 -16.0079 -15.0369 -15.0351 -14.9828 -14.9814 -14.9197 -14.9194 -10.3403 -10.3058 -10.2788 -10.2548 -9.3113 -9.2606 -9.1998 -9.1987 -9.1675 -9.1385 -9.0824 -9.0385 -5.2150 -5.2148 -3.7915 -3.7913 -3.1105 -3.1093 -3.1014 -3.1003 -0.1805 -0.1762 -0.1678 -0.1672 0.0402 0.0435 1.6378 1.6395 1.8849 1.8877 2.2636 2.2657 2.3797 2.3798 3.2184 3.2254 3.2699 3.2733 3.4269 3.4379 3.4984 3.5022 3.6039 3.6157 3.7152 3.7187 3.9202 3.9262 7.6112 7.6115 11.8686 11.8753 12.2242 12.2290 12.6251 12.6259 12.7882 12.8071 12.9351 12.9355 k = 0.5000 0.2887 0.6203 ( 4968 PWs) bands (ev): -27.4242 -27.4242 -27.4119 -27.4119 -21.5707 -21.5707 -16.0148 -16.0147 -16.0093 -16.0092 -15.0338 -15.0318 -14.9835 -14.9821 -14.9235 -14.9232 -10.3351 -10.2989 -10.2761 -10.2513 -9.3050 -9.2529 -9.1905 -9.1905 -9.1673 -9.1360 -9.0804 -9.0339 -5.2175 -5.2173 -3.7761 -3.7759 -3.1134 -3.1122 -3.1042 -3.1030 -0.1755 -0.1713 -0.1665 -0.1662 0.0386 0.0420 1.6455 1.6473 1.8889 1.8918 2.2756 2.2779 2.3885 2.3885 3.2073 3.2138 3.2640 3.2673 3.4319 3.4419 3.5117 3.5152 3.6080 3.6194 3.7322 3.7363 3.9216 3.9283 7.6215 7.6218 11.8409 11.8476 12.1934 12.1984 12.5803 12.5814 12.7449 12.7646 12.9470 12.9555 k = 0.5000 0.2887 0.5996 ( 4958 PWs) bands (ev): -27.4259 -27.4259 -27.4135 -27.4135 -21.5718 -21.5718 -16.0160 -16.0160 -16.0107 -16.0106 -15.0305 -15.0285 -14.9841 -14.9827 -14.9274 -14.9270 -10.3296 -10.2919 -10.2731 -10.2476 -9.2985 -9.2453 -9.1820 -9.1811 -9.1666 -9.1335 -9.0780 -9.0292 -5.2201 -5.2199 -3.7600 -3.7599 -3.1165 -3.1152 -3.1070 -3.1058 -0.1704 -0.1677 -0.1649 -0.1635 0.0368 0.0404 1.6536 1.6555 1.8930 1.8960 2.2881 2.2905 2.3976 2.3977 3.1955 3.2015 3.2590 3.2622 3.4376 3.4465 3.5253 3.5286 3.6120 3.6229 3.7487 3.7535 3.9232 3.9309 7.6323 7.6326 11.8107 11.8173 12.1618 12.1669 12.5335 12.5347 12.6936 12.7132 12.9192 12.9247 k = 0.5000 0.2887 0.5789 ( 4960 PWs) bands (ev): -27.4277 -27.4277 -27.4152 -27.4152 -21.5729 -21.5729 -16.0174 -16.0173 -16.0122 -16.0121 -15.0271 -15.0251 -14.9848 -14.9834 -14.9314 -14.9310 -10.3239 -10.2848 -10.2698 -10.2439 -9.2917 -9.2376 -9.1737 -9.1731 -9.1633 -9.1310 -9.0752 -9.0244 -5.2228 -5.2226 -3.7434 -3.7432 -3.1197 -3.1183 -3.1100 -3.1087 -0.1666 -0.1662 -0.1622 -0.1583 0.0348 0.0385 1.6620 1.6639 1.8972 1.9003 2.3012 2.3037 2.4071 2.4072 3.1832 3.1887 3.2551 3.2581 3.4437 3.4516 3.5391 3.5421 3.6159 3.6263 3.7646 3.7702 3.9252 3.9338 7.6436 7.6439 11.7781 11.7845 12.1294 12.1346 12.4848 12.4861 12.6343 12.6530 12.8856 12.8926 k = 0.5000 0.2887 0.5582 ( 4962 PWs) bands (ev): -27.4296 -27.4296 -27.4170 -27.4170 -21.5741 -21.5741 -16.0187 -16.0187 -16.0136 -16.0135 -15.0237 -15.0216 -14.9855 -14.9842 -14.9356 -14.9351 -10.3180 -10.2777 -10.2663 -10.2401 -9.2847 -9.2300 -9.1711 -9.1642 -9.1549 -9.1283 -9.0719 -9.0194 -5.2256 -5.2254 -3.7262 -3.7260 -3.1230 -3.1215 -3.1129 -3.1116 -0.1652 -0.1649 -0.1573 -0.1525 0.0326 0.0364 1.6706 1.6726 1.9014 1.9047 2.3147 2.3173 2.4168 2.4169 3.1703 3.1754 3.2521 3.2550 3.4503 3.4572 3.5530 3.5557 3.6199 3.6295 3.7798 3.7864 3.9275 3.9372 7.6553 7.6556 11.7428 11.7490 12.0966 12.1017 12.4345 12.4358 12.5679 12.5850 12.8547 12.8616 k = 0.5000 0.2887 0.5376 ( 4958 PWs) bands (ev): -27.4315 -27.4315 -27.4188 -27.4188 -21.5753 -21.5753 -16.0201 -16.0201 -16.0151 -16.0150 -15.0202 -15.0180 -14.9863 -14.9850 -14.9398 -14.9393 -10.3120 -10.2706 -10.2625 -10.2362 -9.2776 -9.2224 -9.1704 -9.1552 -9.1440 -9.1252 -9.0682 -9.0143 -5.2284 -5.2282 -3.7085 -3.7083 -3.1264 -3.1249 -3.1160 -3.1146 -0.1643 -0.1639 -0.1515 -0.1465 0.0302 0.0341 1.6794 1.6815 1.9058 1.9091 2.3285 2.3312 2.4267 2.4269 3.1571 3.1618 3.2502 3.2529 3.4573 3.4632 3.5669 3.5691 3.6239 3.6327 3.7944 3.8021 3.9302 3.9410 7.6674 7.6677 11.7050 11.7108 12.0634 12.0685 12.3828 12.3841 12.4957 12.5110 12.8256 12.8319 k = 0.5000 0.2887 0.5169 ( 4950 PWs) bands (ev): -27.4334 -27.4334 -27.4206 -27.4206 -21.5765 -21.5765 -16.0215 -16.0215 -16.0167 -16.0166 -15.0167 -15.0144 -14.9870 -14.9858 -14.9440 -14.9434 -10.3058 -10.2636 -10.2585 -10.2321 -9.2703 -9.2149 -9.1703 -9.1468 -9.1323 -9.1213 -9.0641 -9.0091 -5.2313 -5.2310 -3.6905 -3.6902 -3.1298 -3.1283 -3.1190 -3.1176 -0.1636 -0.1632 -0.1455 -0.1402 0.0277 0.0316 1.6883 1.6904 1.9101 1.9136 2.3427 2.3455 2.4369 2.4370 3.1435 3.1479 3.2491 3.2517 3.4646 3.4697 3.5806 3.5822 3.6279 3.6358 3.8084 3.8172 3.9333 3.9453 7.6798 7.6801 11.6646 11.6701 12.0302 12.0351 12.3301 12.3313 12.4193 12.4327 12.7975 12.8032 k = 0.5000 0.2887 0.4962 ( 4950 PWs) bands (ev): -27.4354 -27.4354 -27.4225 -27.4225 -21.5778 -21.5778 -16.0230 -16.0229 -16.0182 -16.0181 -15.0132 -15.0109 -14.9878 -14.9867 -14.9483 -14.9477 -10.2996 -10.2569 -10.2543 -10.2279 -9.2631 -9.2074 -9.1702 -9.1396 -9.1202 -9.1160 -9.0596 -9.0039 -5.2341 -5.2339 -3.6721 -3.6719 -3.1333 -3.1317 -3.1220 -3.1206 -0.1629 -0.1625 -0.1394 -0.1340 0.0250 0.0289 1.6973 1.6995 1.9145 1.9180 2.3571 2.3600 2.4471 2.4473 3.1296 3.1337 3.2490 3.2515 3.4722 3.4764 3.5939 3.5947 3.6321 3.6389 3.8218 3.8318 3.9368 3.9502 7.6925 7.6928 11.6219 11.6270 11.9970 12.0017 12.2766 12.2776 12.3399 12.3516 12.7697 12.7748 k = 0.5000 0.2887 0.4755 ( 4946 PWs) bands (ev): -27.4374 -27.4374 -27.4243 -27.4243 -21.5790 -21.5790 -16.0244 -16.0243 -16.0197 -16.0196 -15.0097 -15.0073 -14.9886 -14.9877 -14.9526 -14.9519 -10.2933 -10.2504 -10.2497 -10.2235 -9.2559 -9.2001 -9.1701 -9.1341 -9.1087 -9.1078 -9.0549 -8.9987 -5.2370 -5.2367 -3.6535 -3.6533 -3.1368 -3.1352 -3.1251 -3.1236 -0.1624 -0.1620 -0.1332 -0.1278 0.0221 0.0261 1.7064 1.7086 1.9188 1.9223 2.3717 2.3747 2.4574 2.4576 3.1156 3.1194 3.2498 3.2521 3.4799 3.4834 3.6064 3.6067 3.6366 3.6419 3.8345 3.8459 3.9407 3.9554 7.7054 7.7058 11.5769 11.5816 11.9640 11.9685 12.2224 12.2230 12.2589 12.2688 12.7417 12.7464 k = 0.5000 0.2887 0.4549 ( 4960 PWs) bands (ev): -27.4394 -27.4394 -27.4262 -27.4262 -21.5803 -21.5803 -16.0259 -16.0258 -16.0213 -16.0212 -15.0062 -15.0038 -14.9895 -14.9887 -14.9570 -14.9561 -10.2871 -10.2450 -10.2444 -10.2188 -9.2489 -9.1930 -9.1698 -9.1301 -9.0997 -9.0954 -9.0498 -8.9935 -5.2399 -5.2396 -3.6349 -3.6346 -3.1404 -3.1387 -3.1281 -3.1266 -0.1619 -0.1616 -0.1270 -0.1215 0.0190 0.0230 1.7154 1.7176 1.9231 1.9266 2.3865 2.3894 2.4677 2.4680 3.1015 3.1050 3.2514 3.2536 3.4878 3.4906 3.6169 3.6189 3.6416 3.6449 3.8467 3.8594 3.9451 3.9611 7.7185 7.7189 11.5299 11.5343 11.9312 11.9355 12.1664 12.1679 12.1788 12.1855 12.7132 12.7176 k = 0.5000 0.2887 0.4342 ( 4964 PWs) bands (ev): -27.4413 -27.4413 -27.4281 -27.4281 -21.5815 -21.5815 -16.0273 -16.0272 -16.0228 -16.0227 -15.0028 -15.0003 -14.9903 -14.9897 -14.9612 -14.9602 -10.2810 -10.2401 -10.2388 -10.2139 -9.2420 -9.1864 -9.1692 -9.1271 -9.0895 -9.0829 -9.0445 -8.9882 -5.2427 -5.2424 -3.6161 -3.6159 -3.1439 -3.1423 -3.1310 -3.1295 -0.1616 -0.1613 -0.1207 -0.1153 0.0158 0.0198 1.7244 1.7266 1.9273 1.9309 2.4012 2.4042 2.4780 2.4783 3.0873 3.0906 3.2539 3.2559 3.4958 3.4980 3.6259 3.6302 3.6474 3.6481 3.8584 3.8724 3.9499 3.9672 7.7317 7.7321 11.4814 11.4854 11.8989 11.9028 12.0928 12.1022 12.1134 12.1158 12.6841 12.6882 k = 0.5000 0.2887 0.4135 ( 4968 PWs) bands (ev): -27.4433 -27.4433 -27.4299 -27.4299 -21.5828 -21.5828 -16.0287 -16.0287 -16.0243 -16.0242 -14.9995 -14.9970 -14.9910 -14.9907 -14.9654 -14.9642 -10.2751 -10.2349 -10.2337 -10.2087 -9.2353 -9.1808 -9.1677 -9.1245 -9.0786 -9.0705 -9.0390 -8.9831 -5.2455 -5.2452 -3.5975 -3.5972 -3.1474 -3.1458 -3.1340 -3.1324 -0.1613 -0.1610 -0.1145 -0.1091 0.0125 0.0164 1.7333 1.7355 1.9314 1.9350 2.4160 2.4190 2.4882 2.4886 3.0732 3.0763 3.2571 3.2589 3.5039 3.5055 3.6332 3.6402 3.6517 3.6541 3.8696 3.8849 3.9553 3.9737 7.7450 7.7454 11.4317 11.4354 11.8670 11.8706 12.0124 12.0200 12.0590 12.0607 12.6543 12.6581 k = 0.5000 0.2887 0.3928 ( 4974 PWs) bands (ev): -27.4452 -27.4452 -27.4317 -27.4317 -21.5840 -21.5840 -16.0302 -16.0301 -16.0258 -16.0257 -14.9966 -14.9939 -14.9917 -14.9916 -14.9695 -14.9681 -10.2693 -10.2296 -10.2291 -10.2033 -9.2288 -9.1770 -9.1644 -9.1221 -9.0674 -9.0582 -9.0334 -8.9779 -5.2483 -5.2480 -3.5789 -3.5786 -3.1509 -3.1493 -3.1368 -3.1353 -0.1611 -0.1609 -0.1084 -0.1030 0.0090 0.0129 1.7420 1.7442 1.9354 1.9390 2.4307 2.4337 2.4983 2.4987 3.0592 3.0621 3.2609 3.2626 3.5119 3.5130 3.6390 3.6480 3.6567 3.6614 3.8804 3.8967 3.9612 3.9805 7.7582 7.7587 11.3811 11.3845 11.8356 11.8388 11.9331 11.9394 12.0050 12.0064 12.6237 12.6274 k = 0.5000 0.2887 0.3722 ( 4970 PWs) bands (ev): -27.4471 -27.4471 -27.4335 -27.4335 -21.5852 -21.5852 -16.0315 -16.0315 -16.0273 -16.0272 -14.9947 -14.9934 -14.9911 -14.9901 -14.9734 -14.9718 -10.2637 -10.2250 -10.2240 -10.1978 -9.2227 -9.1752 -9.1594 -9.1199 -9.0560 -9.0462 -9.0276 -8.9729 -5.2510 -5.2507 -3.5606 -3.5603 -3.1543 -3.1527 -3.1396 -3.1381 -0.1611 -0.1609 -0.1024 -0.0971 0.0056 0.0094 1.7505 1.7527 1.9393 1.9428 2.4452 2.4482 2.5082 2.5086 3.0454 3.0480 3.2654 3.2670 3.5199 3.5205 3.6438 3.6529 3.6636 3.6687 3.8907 3.9077 3.9676 3.9876 7.7714 7.7719 11.3302 11.3333 11.8049 11.8072 11.8560 11.8609 11.9518 11.9530 12.5925 12.5961 k = 0.5000 0.2887 0.3515 ( 4966 PWs) bands (ev): -27.4489 -27.4489 -27.4353 -27.4353 -21.5863 -21.5863 -16.0329 -16.0328 -16.0287 -16.0286 -14.9947 -14.9945 -14.9891 -14.9872 -14.9770 -14.9752 -10.2583 -10.2213 -10.2184 -10.1923 -9.2170 -9.1743 -9.1535 -9.1176 -9.0446 -9.0344 -9.0216 -8.9679 -5.2536 -5.2533 -3.5426 -3.5423 -3.1576 -3.1560 -3.1423 -3.1408 -0.1611 -0.1610 -0.0964 -0.0913 0.0021 0.0057 1.7588 1.7609 1.9430 1.9464 2.4595 2.4624 2.5179 2.5184 3.0318 3.0343 3.2705 3.2719 3.5278 3.5280 3.6480 3.6564 3.6710 3.6756 3.9005 3.9178 3.9748 3.9950 7.7845 7.7849 11.2793 11.2821 11.7710 11.7744 11.7853 11.7866 11.8996 11.9007 12.5609 12.5643 k = 0.5000 0.2887 0.3308 ( 4970 PWs) bands (ev): -27.4507 -27.4507 -27.4370 -27.4370 -21.5875 -21.5875 -16.0342 -16.0342 -16.0301 -16.0300 -14.9959 -14.9954 -14.9871 -14.9847 -14.9798 -14.9781 -10.2532 -10.2181 -10.2127 -10.1868 -9.2116 -9.1739 -9.1473 -9.1153 -9.0333 -9.0231 -9.0156 -8.9630 -5.2561 -5.2558 -3.5251 -3.5248 -3.1609 -3.1593 -3.1449 -3.1434 -0.1612 -0.1611 -0.0907 -0.0857 -0.0015 0.0020 1.7668 1.7689 1.9466 1.9499 2.4735 2.4764 2.5273 2.5278 3.0186 3.0209 3.2760 3.2773 3.5354 3.5355 3.6519 3.6594 3.6780 3.6820 3.9096 3.9269 3.9828 4.0026 7.7973 7.7977 11.2289 11.2315 11.7055 11.7114 11.7460 11.7502 11.8486 11.8496 12.5290 12.5324 k = 0.5000 0.2887 0.3101 ( 4970 PWs) bands (ev): -27.4525 -27.4525 -27.4386 -27.4386 -21.5886 -21.5886 -16.0355 -16.0355 -16.0314 -16.0313 -14.9974 -14.9964 -14.9871 -14.9839 -14.9804 -14.9791 -10.2483 -10.2151 -10.2069 -10.1814 -9.2067 -9.1737 -9.1413 -9.1129 -9.0223 -9.0123 -9.0094 -8.9583 -5.2586 -5.2583 -3.5081 -3.5077 -3.1640 -3.1625 -3.1474 -3.1460 -0.1614 -0.1614 -0.0852 -0.0803 -0.0050 -0.0016 1.7745 1.7765 1.9500 1.9532 2.4871 2.4899 2.5364 2.5369 3.0058 3.0078 3.2819 3.2830 3.5426 3.5430 3.6555 3.6622 3.6842 3.6877 3.9182 3.9347 3.9915 4.0105 7.8099 7.8103 11.1794 11.1817 11.6369 11.6416 11.7176 11.7210 11.7993 11.8002 12.4973 12.5005 k = 0.5000 0.2887 0.2895 ( 4984 PWs) bands (ev): -27.4542 -27.4542 -27.4402 -27.4402 -21.5896 -21.5896 -16.0367 -16.0367 -16.0327 -16.0326 -14.9990 -14.9975 -14.9892 -14.9857 -14.9787 -14.9773 -10.2436 -10.2125 -10.2012 -10.1763 -9.2021 -9.1735 -9.1353 -9.1105 -9.0120 -9.0027 -9.0020 -8.9536 -5.2609 -5.2606 -3.4916 -3.4913 -3.1670 -3.1655 -3.1498 -3.1484 -0.1618 -0.1617 -0.0798 -0.0751 -0.0086 -0.0053 1.7818 1.7837 1.9532 1.9562 2.5002 2.5030 2.5451 2.5457 2.9935 2.9953 3.2880 3.2891 3.5496 3.5503 3.6589 3.6649 3.6897 3.6927 3.9259 3.9413 4.0009 4.0186 7.8221 7.8225 11.1311 11.1332 11.5712 11.5752 11.6903 11.6933 11.7518 11.7526 12.4659 12.4690 k = 0.5000 0.2887 0.2688 ( 4980 PWs) bands (ev): -27.4557 -27.4557 -27.4417 -27.4417 -21.5906 -21.5906 -16.0379 -16.0379 -16.0339 -16.0338 -15.0008 -14.9988 -14.9916 -14.9879 -14.9763 -14.9749 -10.2392 -10.2102 -10.1955 -10.1714 -9.1980 -9.1734 -9.1297 -9.1080 -9.0031 -8.9951 -8.9925 -8.9490 -5.2631 -5.2628 -3.4758 -3.4755 -3.1698 -3.1685 -3.1521 -3.1507 -0.1622 -0.1621 -0.0747 -0.0702 -0.0120 -0.0089 1.7887 1.7906 1.9562 1.9591 2.5129 2.5155 2.5535 2.5541 2.9816 2.9833 3.2943 3.2953 3.5564 3.5572 3.6622 3.6675 3.6945 3.6971 3.9329 3.9468 4.0107 4.0269 7.8339 7.8343 11.0845 11.0864 11.5092 11.5127 11.6642 11.6668 11.7064 11.7071 12.4351 12.4382 k = 0.5000 0.2887 0.2481 ( 4988 PWs) bands (ev): -27.4572 -27.4572 -27.4431 -27.4431 -21.5916 -21.5916 -16.0390 -16.0390 -16.0351 -16.0350 -15.0027 -15.0005 -14.9937 -14.9899 -14.9739 -14.9726 -10.2350 -10.2081 -10.1900 -10.1669 -9.1944 -9.1733 -9.1243 -9.1055 -8.9958 -8.9862 -8.9837 -8.9445 -5.2652 -5.2649 -3.4609 -3.4605 -3.1726 -3.1712 -3.1543 -3.1530 -0.1627 -0.1626 -0.0699 -0.0656 -0.0154 -0.0125 1.7952 1.7970 1.9589 1.9617 2.5249 2.5275 2.5613 2.5620 2.9704 2.9719 3.3007 3.3016 3.5628 3.5638 3.6654 3.6700 3.6986 3.7009 3.9390 3.9513 4.0208 4.0352 7.8452 7.8456 11.0399 11.0416 11.4510 11.4540 11.6393 11.6415 11.6634 11.6642 12.4054 12.4083 k = 0.5000 0.2887 0.2274 ( 4982 PWs) bands (ev): -27.4587 -27.4587 -27.4444 -27.4444 -21.5925 -21.5925 -16.0401 -16.0400 -16.0361 -16.0361 -15.0047 -15.0025 -14.9953 -14.9916 -14.9716 -14.9703 -10.2311 -10.2063 -10.1846 -10.1627 -9.1911 -9.1731 -9.1192 -9.1031 -8.9896 -8.9769 -8.9758 -8.9401 -5.2672 -5.2669 -3.4467 -3.4464 -3.1751 -3.1738 -3.1563 -3.1550 -0.1632 -0.1630 -0.0653 -0.0613 -0.0186 -0.0158 1.8013 1.8030 1.9615 1.9641 2.5363 2.5387 2.5688 2.5695 2.9599 2.9612 3.3071 3.3079 3.5690 3.5700 3.6684 3.6724 3.7021 3.7041 3.9444 3.9550 4.0310 4.0435 7.8560 7.8563 10.9977 10.9992 11.3970 11.3996 11.6153 11.6165 11.6234 11.6249 12.3770 12.3797 k = 0.5000 0.2887 0.2068 ( 4978 PWs) bands (ev): -27.4600 -27.4600 -27.4457 -27.4457 -21.5933 -21.5933 -16.0410 -16.0410 -16.0371 -16.0371 -15.0066 -15.0046 -14.9965 -14.9931 -14.9694 -14.9682 -10.2274 -10.2048 -10.1794 -10.1589 -9.1882 -9.1730 -9.1144 -9.1007 -8.9840 -8.9689 -8.9677 -8.9357 -5.2690 -5.2687 -3.4335 -3.4332 -3.1774 -3.1763 -3.1581 -3.1569 -0.1637 -0.1636 -0.0611 -0.0573 -0.0216 -0.0191 1.8070 1.8085 1.9638 1.9662 2.5470 2.5493 2.5757 2.5764 2.9501 2.9512 3.3134 3.3141 3.5747 3.5758 3.6713 3.6748 3.7051 3.7068 3.9489 3.9579 4.0409 4.0517 7.8661 7.8664 10.9580 10.9594 11.3471 11.3494 11.5843 11.5843 11.5948 11.5973 12.3501 12.3526 k = 0.5000 0.2887 0.1861 ( 4980 PWs) bands (ev): -27.4612 -27.4612 -27.4468 -27.4468 -21.5941 -21.5941 -16.0419 -16.0419 -16.0380 -16.0380 -15.0086 -15.0068 -14.9974 -14.9944 -14.9674 -14.9663 -10.2239 -10.2035 -10.1744 -10.1556 -9.1856 -9.1730 -9.1100 -9.0984 -8.9787 -8.9630 -8.9589 -8.9314 -5.2706 -5.2704 -3.4213 -3.4210 -3.1796 -3.1785 -3.1598 -3.1587 -0.1643 -0.1641 -0.0572 -0.0537 -0.0244 -0.0221 1.8121 1.8135 1.9659 1.9681 2.5569 2.5590 2.5821 2.5828 2.9410 2.9419 3.3195 3.3201 3.5800 3.5811 3.6739 3.6770 3.7077 3.7091 3.9527 3.9602 4.0503 4.0596 7.8755 7.8758 10.9213 10.9225 11.3017 11.3037 11.5500 11.5501 11.5743 11.5763 12.3250 12.3273 k = 0.5000 0.2887 0.1654 ( 4984 PWs) bands (ev): -27.4623 -27.4623 -27.4478 -27.4478 -21.5948 -21.5948 -16.0428 -16.0427 -16.0389 -16.0388 -15.0105 -15.0090 -14.9980 -14.9954 -14.9656 -14.9645 -10.2207 -10.2025 -10.1698 -10.1526 -9.1834 -9.1729 -9.1060 -9.0962 -8.9738 -8.9581 -8.9507 -8.9272 -5.2721 -5.2719 -3.4102 -3.4099 -3.1816 -3.1806 -3.1614 -3.1604 -0.1648 -0.1646 -0.0536 -0.0505 -0.0270 -0.0249 1.8168 1.8181 1.9678 1.9698 2.5660 2.5678 2.5879 2.5886 2.9328 2.9335 3.3252 3.3257 3.5848 3.5859 3.6764 3.6790 3.7098 3.7110 3.9558 3.9621 4.0592 4.0670 7.8841 7.8844 10.8878 10.8888 11.2608 11.2625 11.5185 11.5186 11.5558 11.5575 12.3020 12.3041 k = 0.5000 0.2887 0.1447 ( 4984 PWs) bands (ev): -27.4632 -27.4632 -27.4488 -27.4488 -21.5954 -21.5954 -16.0435 -16.0434 -16.0396 -16.0396 -15.0122 -15.0109 -14.9986 -14.9964 -14.9639 -14.9630 -10.2177 -10.2018 -10.1655 -10.1502 -9.1815 -9.1729 -9.1024 -9.0942 -8.9693 -8.9542 -8.9431 -8.9233 -5.2735 -5.2733 -3.4002 -3.4000 -3.1833 -3.1824 -3.1627 -3.1618 -0.1653 -0.1651 -0.0505 -0.0477 -0.0292 -0.0275 1.8209 1.8221 1.9695 1.9713 2.5741 2.5758 2.5931 2.5938 2.9254 2.9260 3.3305 3.3309 3.5892 3.5901 3.6787 3.6809 3.7115 3.7125 3.9583 3.9634 4.0674 4.0739 7.8919 7.8921 10.8576 10.8586 11.2245 11.2259 11.4904 11.4905 11.5392 11.5407 12.2812 12.2831 k = 0.5000 0.2887 0.1241 ( 4972 PWs) bands (ev): -27.4641 -27.4641 -27.4496 -27.4496 -21.5959 -21.5959 -16.0441 -16.0441 -16.0402 -16.0402 -15.0137 -15.0127 -14.9990 -14.9971 -14.9624 -14.9616 -10.2150 -10.2013 -10.1615 -10.1481 -9.1798 -9.1729 -9.0992 -9.0925 -8.9650 -8.9512 -8.9362 -8.9198 -5.2746 -5.2745 -3.3914 -3.3912 -3.1848 -3.1841 -3.1639 -3.1631 -0.1658 -0.1656 -0.0477 -0.0453 -0.0312 -0.0297 1.8246 1.8256 1.9710 1.9725 2.5813 2.5828 2.5977 2.5983 2.9189 2.9194 3.3353 3.3357 3.5930 3.5939 3.6808 3.6826 3.7129 3.7137 3.9603 3.9645 4.0748 4.0801 7.8988 7.8990 10.8311 10.8319 11.1929 11.1941 11.4657 11.4658 11.5246 11.5259 12.2629 12.2645 k = 0.5000 0.2887 0.1034 ( 4968 PWs) bands (ev): -27.4648 -27.4648 -27.4503 -27.4503 -21.5964 -21.5964 -16.0447 -16.0446 -16.0408 -16.0408 -15.0151 -15.0142 -14.9993 -14.9978 -14.9611 -14.9604 -10.2125 -10.2010 -10.1579 -10.1466 -9.1784 -9.1729 -9.0964 -9.0910 -8.9612 -8.9491 -8.9301 -8.9168 -5.2756 -5.2755 -3.3839 -3.3837 -3.1861 -3.1855 -3.1649 -3.1642 -0.1662 -0.1660 -0.0454 -0.0433 -0.0328 -0.0316 1.8277 1.8285 1.9723 1.9735 2.5875 2.5887 2.6016 2.6022 2.9134 2.9138 3.3395 3.3398 3.5963 3.5971 3.6826 3.6840 3.7141 3.7147 3.9620 3.9652 4.0812 4.0855 7.9047 7.9049 10.8084 10.8090 11.1661 11.1670 11.4446 11.4447 11.5122 11.5132 12.2471 12.2485 k = 0.5000 0.2887 0.0827 ( 4968 PWs) bands (ev): -27.4654 -27.4654 -27.4508 -27.4508 -21.5968 -21.5968 -16.0451 -16.0451 -16.0413 -16.0412 -15.0161 -15.0155 -14.9996 -14.9984 -14.9601 -14.9595 -10.2102 -10.2010 -10.1547 -10.1456 -9.1772 -9.1730 -9.0940 -9.0899 -8.9577 -8.9477 -8.9249 -8.9144 -5.2765 -5.2764 -3.3777 -3.3775 -3.1871 -3.1866 -3.1657 -3.1652 -0.1666 -0.1664 -0.0435 -0.0418 -0.0341 -0.0331 1.8303 1.8309 1.9733 1.9743 2.5926 2.5936 2.6049 2.6053 2.9088 2.9091 3.3431 3.3434 3.5991 3.5997 3.6841 3.6852 3.7150 3.7155 3.9632 3.9657 4.0867 4.0899 7.9096 7.9098 10.7896 10.7901 11.1441 11.1448 11.4272 11.4273 11.5019 11.5027 12.2341 12.2352 k = 0.5000 0.2887 0.0620 ( 4964 PWs) bands (ev): -27.4659 -27.4659 -27.4513 -27.4513 -21.5971 -21.5971 -16.0455 -16.0454 -16.0416 -16.0416 -15.0170 -15.0165 -14.9997 -14.9988 -14.9592 -14.9588 -10.2082 -10.2013 -10.1519 -10.1450 -9.1762 -9.1732 -9.0921 -9.0890 -8.9547 -8.9469 -8.9205 -8.9127 -5.2771 -5.2770 -3.3728 -3.3727 -3.1879 -3.1876 -3.1664 -3.1659 -0.1668 -0.1668 -0.0421 -0.0408 -0.0349 -0.0342 1.8323 1.8328 1.9741 1.9749 2.5967 2.5974 2.6075 2.6078 2.9052 2.9054 3.3460 3.3461 3.6012 3.6017 3.6854 3.6862 3.7157 3.7160 3.9642 3.9660 4.0910 4.0934 7.9135 7.9136 10.7748 10.7752 11.1269 11.1275 11.4136 11.4137 11.4938 11.4945 12.2239 12.2247 k = 0.5000 0.2887 0.0414 ( 4960 PWs) bands (ev): -27.4662 -27.4662 -27.4516 -27.4516 -21.5973 -21.5973 -16.0457 -16.0457 -16.0419 -16.0419 -15.0175 -15.0172 -14.9998 -14.9992 -14.9586 -14.9583 -10.2064 -10.2018 -10.1496 -10.1450 -9.1754 -9.1734 -9.0905 -9.0886 -8.9521 -8.9468 -8.9169 -8.9118 -5.2775 -5.2775 -3.3693 -3.3692 -3.1885 -3.1882 -3.1668 -3.1665 -0.1671 -0.1670 -0.0413 -0.0404 -0.0352 -0.0348 1.8337 1.8341 1.9748 1.9753 2.5997 2.6002 2.6094 2.6096 2.9027 2.9028 3.3480 3.3482 3.6028 3.6032 3.6863 3.6868 3.7162 3.7164 3.9649 3.9661 4.0943 4.0958 7.9163 7.9164 10.7643 10.7645 11.1147 11.1150 11.4039 11.4039 11.4881 11.4885 12.2166 12.2171 k = 0.5000 0.2887 0.0207 ( 4974 PWs) bands (ev): -27.4665 -27.4665 -27.4518 -27.4518 -21.5974 -21.5974 -16.0459 -16.0459 -16.0420 -16.0420 -15.0179 -15.0177 -14.9998 -14.9995 -14.9583 -14.9581 -10.2049 -10.2026 -10.1477 -10.1454 -9.1747 -9.1737 -9.0894 -9.0885 -8.9500 -8.9473 -8.9143 -8.9118 -5.2778 -5.2778 -3.3671 -3.3671 -3.1888 -3.1887 -3.1670 -3.1669 -0.1672 -0.1672 -0.0408 -0.0404 -0.0353 -0.0351 1.8347 1.8348 1.9752 1.9754 2.6015 2.6017 2.6105 2.6106 2.9011 2.9012 3.3493 3.3494 3.6038 3.6040 3.6869 3.6871 3.7165 3.7166 3.9654 3.9660 4.0964 4.0972 7.9180 7.9180 10.7579 10.7580 11.1074 11.1075 11.3980 11.3980 11.4846 11.4849 12.2122 12.2125 k = 0.5000 0.2887-0.0000 ( 4966 PWs) bands (ev): -27.4665 -27.4665 -27.4519 -27.4519 -21.5975 -21.5975 -16.0459 -16.0459 -16.0421 -16.0421 -15.0179 -15.0179 -14.9997 -14.9997 -14.9581 -14.9581 -10.2036 -10.2036 -10.1463 -10.1463 -9.1742 -9.1742 -9.0887 -9.0887 -8.9484 -8.9484 -8.9126 -8.9126 -5.2779 -5.2779 -3.3664 -3.3664 -3.1889 -3.1889 -3.1671 -3.1671 -0.1672 -0.1672 -0.0405 -0.0405 -0.0352 -0.0352 1.8350 1.8350 1.9754 1.9754 2.6022 2.6022 2.6109 2.6109 2.9006 2.9006 3.3498 3.3498 3.6042 3.6042 3.6872 3.6872 3.7166 3.7166 3.9658 3.9658 4.0973 4.0973 7.9186 7.9186 10.7558 10.7558 11.1050 11.1050 11.3960 11.3960 11.4836 11.4836 12.2109 12.2109 k = 0.3333 0.5774-0.0000 ( 4998 PWs) bands (ev): -27.4592 -27.4592 -27.4592 -27.4592 -21.5978 -21.5978 -16.0453 -16.0453 -16.0439 -16.0439 -15.0295 -15.0295 -14.9747 -14.9747 -14.9686 -14.9686 -10.1832 -10.1832 -10.1682 -10.1682 -9.1497 -9.1497 -9.1172 -9.1172 -8.9324 -8.9324 -8.9283 -8.9283 -5.2655 -5.2655 -3.3667 -3.3667 -3.1975 -3.1975 -3.1836 -3.1836 -0.0775 -0.0775 -0.0719 -0.0719 -0.0568 -0.0568 1.8793 1.8793 1.8908 1.8908 2.6039 2.6039 2.6039 2.6039 3.1349 3.1349 3.1504 3.1504 3.5245 3.5245 3.6681 3.6681 3.8723 3.8723 3.8728 3.8728 4.1130 4.1130 7.9104 7.9104 10.7348 10.7348 11.2447 11.2447 11.2536 11.2536 11.5979 11.5979 12.2123 12.2124 k = 0.3333 0.5774 0.0207 ( 4992 PWs) bands (ev): -27.4591 -27.4591 -27.4591 -27.4591 -21.5977 -21.5977 -16.0452 -16.0452 -16.0439 -16.0439 -15.0293 -15.0293 -14.9749 -14.9747 -14.9686 -14.9686 -10.1834 -10.1834 -10.1701 -10.1667 -9.1498 -9.1498 -9.1174 -9.1174 -8.9326 -8.9326 -8.9306 -8.9268 -5.2654 -5.2654 -3.3674 -3.3674 -3.1975 -3.1973 -3.1835 -3.1835 -0.0776 -0.0771 -0.0718 -0.0718 -0.0569 -0.0569 1.8791 1.8791 1.8906 1.8906 2.6032 2.6034 2.6034 2.6036 3.1350 3.1352 3.1506 3.1506 3.5243 3.5243 3.6680 3.6680 3.8722 3.8722 3.8724 3.8730 4.1124 4.1124 7.9099 7.9099 10.7366 10.7366 11.2469 11.2469 11.2558 11.2558 11.5994 11.5994 12.2136 12.2136 k = 0.3333 0.5774 0.0414 ( 4980 PWs) bands (ev): -27.4589 -27.4589 -27.4589 -27.4589 -21.5976 -21.5976 -16.0451 -16.0451 -16.0437 -16.0437 -15.0287 -15.0287 -14.9751 -14.9747 -14.9687 -14.9687 -10.1839 -10.1839 -10.1724 -10.1655 -9.1501 -9.1501 -9.1180 -9.1180 -8.9338 -8.9333 -8.9333 -8.9261 -5.2652 -5.2652 -3.3695 -3.3695 -3.1972 -3.1969 -3.1831 -3.1831 -0.0775 -0.0765 -0.0715 -0.0715 -0.0574 -0.0574 1.8784 1.8784 1.8899 1.8900 2.6015 2.6019 2.6019 2.6023 3.1355 3.1360 3.1510 3.1510 3.5236 3.5236 3.6677 3.6677 3.8716 3.8718 3.8718 3.8727 4.1105 4.1105 7.9083 7.9083 10.7420 10.7420 11.2535 11.2535 11.2624 11.2625 11.6040 11.6040 12.2176 12.2176 k = 0.3333 0.5774 0.0620 ( 4974 PWs) bands (ev): -27.4586 -27.4586 -27.4586 -27.4586 -21.5974 -21.5974 -16.0448 -16.0448 -16.0434 -16.0434 -15.0279 -15.0279 -14.9754 -14.9748 -14.9690 -14.9690 -10.1848 -10.1848 -10.1750 -10.1648 -9.1505 -9.1505 -9.1190 -9.1190 -8.9379 -8.9346 -8.9346 -8.9263 -5.2647 -5.2647 -3.3730 -3.3730 -3.1967 -3.1963 -3.1826 -3.1826 -0.0773 -0.0757 -0.0711 -0.0711 -0.0582 -0.0582 1.8774 1.8774 1.8888 1.8888 2.5988 2.5994 2.5994 2.5999 3.1363 3.1371 3.1518 3.1518 3.5225 3.5225 3.6673 3.6673 3.8704 3.8712 3.8712 3.8721 4.1074 4.1074 7.9057 7.9057 10.7509 10.7509 11.2645 11.2645 11.2734 11.2736 11.6116 11.6116 12.2242 12.2243 k = 0.3333 0.5774 0.0827 ( 4974 PWs) bands (ev): -27.4581 -27.4581 -27.4581 -27.4581 -21.5971 -21.5971 -16.0445 -16.0445 -16.0431 -16.0431 -15.0268 -15.0268 -14.9758 -14.9750 -14.9693 -14.9693 -10.1860 -10.1860 -10.1780 -10.1645 -9.1512 -9.1512 -9.1203 -9.1203 -8.9427 -8.9362 -8.9362 -8.9273 -5.2641 -5.2641 -3.3779 -3.3779 -3.1959 -3.1954 -3.1818 -3.1818 -0.0769 -0.0748 -0.0705 -0.0705 -0.0593 -0.0593 1.8758 1.8758 1.8872 1.8873 2.5951 2.5959 2.5959 2.5966 3.1376 3.1385 3.1528 3.1528 3.5209 3.5209 3.6666 3.6666 3.8688 3.8703 3.8703 3.8711 4.1030 4.1030 7.9020 7.9020 10.7633 10.7633 11.2798 11.2798 11.2888 11.2891 11.6222 11.6222 12.2335 12.2335 k = 0.3333 0.5774 0.1034 ( 4980 PWs) bands (ev): -27.4575 -27.4575 -27.4575 -27.4575 -21.5967 -21.5967 -16.0440 -16.0440 -16.0426 -16.0426 -15.0254 -15.0254 -14.9763 -14.9752 -14.9698 -14.9698 -10.1876 -10.1876 -10.1814 -10.1646 -9.1522 -9.1522 -9.1219 -9.1219 -8.9483 -8.9384 -8.9384 -8.9293 -5.2633 -5.2633 -3.3841 -3.3841 -3.1950 -3.1943 -3.1808 -3.1808 -0.0762 -0.0737 -0.0698 -0.0698 -0.0607 -0.0607 1.8739 1.8739 1.8852 1.8852 2.5904 2.5914 2.5914 2.5923 3.1392 3.1403 3.1541 3.1541 3.5188 3.5188 3.6657 3.6657 3.8669 3.8691 3.8691 3.8697 4.0975 4.0975 7.8974 7.8974 10.7791 10.7791 11.2994 11.2994 11.3085 11.3089 11.6357 11.6357 12.2453 12.2454 k = 0.3333 0.5774 0.1241 ( 4962 PWs) bands (ev): -27.4568 -27.4568 -27.4568 -27.4568 -21.5962 -21.5962 -16.0435 -16.0435 -16.0420 -16.0420 -15.0237 -15.0237 -14.9768 -14.9756 -14.9703 -14.9703 -10.1895 -10.1895 -10.1851 -10.1650 -9.1535 -9.1535 -9.1237 -9.1237 -8.9547 -8.9410 -8.9410 -8.9320 -5.2623 -5.2623 -3.3916 -3.3916 -3.1938 -3.1930 -3.1796 -3.1796 -0.0754 -0.0724 -0.0691 -0.0691 -0.0622 -0.0622 1.8715 1.8715 1.8827 1.8828 2.5849 2.5861 2.5861 2.5871 3.1412 3.1425 3.1557 3.1557 3.5164 3.5164 3.6646 3.6646 3.8647 3.8677 3.8677 3.8680 4.0909 4.0909 7.8919 7.8919 10.7981 10.7981 11.3233 11.3233 11.3325 11.3329 11.6523 11.6523 12.2596 12.2599 k = 0.3333 0.5774 0.1447 ( 4962 PWs) bands (ev): -27.4560 -27.4560 -27.4560 -27.4560 -21.5957 -21.5957 -16.0428 -16.0428 -16.0414 -16.0414 -15.0217 -15.0217 -14.9774 -14.9760 -14.9709 -14.9709 -10.1917 -10.1917 -10.1891 -10.1659 -9.1551 -9.1551 -9.1258 -9.1258 -8.9617 -8.9440 -8.9440 -8.9355 -5.2611 -5.2611 -3.4004 -3.4004 -3.1924 -3.1915 -3.1782 -3.1782 -0.0745 -0.0710 -0.0686 -0.0686 -0.0637 -0.0637 1.8688 1.8688 1.8798 1.8799 2.5784 2.5798 2.5798 2.5809 3.1436 3.1450 3.1576 3.1576 3.5135 3.5135 3.6632 3.6632 3.8622 3.8660 3.8660 3.8660 4.0832 4.0832 7.8854 7.8854 10.8201 10.8201 11.3512 11.3512 11.3606 11.3611 11.6717 11.6717 12.2764 12.2766 k = 0.3333 0.5774 0.1654 ( 4962 PWs) bands (ev): -27.4550 -27.4550 -27.4550 -27.4550 -21.5950 -21.5950 -16.0421 -16.0421 -16.0406 -16.0406 -15.0194 -15.0194 -14.9781 -14.9766 -14.9716 -14.9716 -10.1943 -10.1943 -10.1933 -10.1672 -9.1571 -9.1571 -9.1279 -9.1279 -8.9695 -8.9473 -8.9473 -8.9399 -5.2598 -5.2598 -3.4104 -3.4104 -3.1908 -3.1898 -3.1765 -3.1765 -0.0734 -0.0695 -0.0692 -0.0692 -0.0644 -0.0644 1.8656 1.8656 1.8765 1.8765 2.5712 2.5727 2.5727 2.5739 3.1463 3.1477 3.1597 3.1597 3.5102 3.5102 3.6615 3.6615 3.8593 3.8635 3.8640 3.8640 4.0746 4.0746 7.8780 7.8780 10.8451 10.8451 11.3831 11.3831 11.3927 11.3933 11.6941 11.6941 12.2956 12.2960 k = 0.3333 0.5774 0.1861 ( 4971 PWs) bands (ev): -27.4540 -27.4540 -27.4540 -27.4540 -21.5943 -21.5943 -16.0412 -16.0412 -16.0398 -16.0398 -15.0168 -15.0168 -14.9789 -14.9772 -14.9725 -14.9725 -10.1979 -10.1972 -10.1972 -10.1688 -9.1597 -9.1597 -9.1300 -9.1300 -8.9778 -8.9511 -8.9511 -8.9449 -5.2583 -5.2583 -3.4215 -3.4215 -3.1890 -3.1879 -3.1747 -3.1747 -0.0723 -0.0711 -0.0711 -0.0679 -0.0639 -0.0639 1.8621 1.8621 1.8728 1.8728 2.5632 2.5649 2.5649 2.5661 3.1494 3.1508 3.1621 3.1621 3.5065 3.5065 3.6594 3.6594 3.8561 3.8607 3.8617 3.8617 4.0651 4.0651 7.8699 7.8699 10.8727 10.8727 11.4189 11.4189 11.4287 11.4295 11.7192 11.7192 12.3169 12.3170 k = 0.3333 0.5774 0.2068 ( 4968 PWs) bands (ev): -27.4528 -27.4528 -27.4528 -27.4528 -21.5936 -21.5936 -16.0403 -16.0403 -16.0389 -16.0389 -15.0140 -15.0140 -14.9798 -14.9779 -14.9734 -14.9734 -10.2027 -10.2004 -10.2004 -10.1708 -9.1628 -9.1628 -9.1320 -9.1320 -8.9868 -8.9552 -8.9552 -8.9508 -5.2567 -5.2567 -3.4338 -3.4338 -3.1870 -3.1858 -3.1727 -3.1727 -0.0738 -0.0738 -0.0710 -0.0663 -0.0629 -0.0629 1.8582 1.8582 1.8687 1.8688 2.5545 2.5563 2.5563 2.5576 3.1528 3.1542 3.1648 3.1648 3.5024 3.5024 3.6569 3.6569 3.8525 3.8576 3.8592 3.8592 4.0549 4.0549 7.8609 7.8609 10.9028 10.9028 11.4583 11.4583 11.4684 11.4693 11.7471 11.7471 12.3405 12.3405 k = 0.3333 0.5774 0.2274 ( 4965 PWs) bands (ev): -27.4515 -27.4515 -27.4515 -27.4515 -21.5927 -21.5927 -16.0393 -16.0393 -16.0379 -16.0378 -15.0109 -15.0109 -14.9808 -14.9787 -14.9743 -14.9743 -10.2077 -10.2040 -10.2040 -10.1731 -9.1665 -9.1665 -9.1339 -9.1339 -8.9962 -8.9595 -8.9595 -8.9573 -5.2549 -5.2549 -3.4470 -3.4470 -3.1848 -3.1835 -3.1706 -3.1706 -0.0769 -0.0769 -0.0696 -0.0646 -0.0616 -0.0616 1.8539 1.8539 1.8643 1.8643 2.5451 2.5470 2.5470 2.5484 3.1565 3.1578 3.1677 3.1677 3.4981 3.4981 3.6540 3.6540 3.8487 3.8540 3.8563 3.8563 4.0441 4.0441 7.8514 7.8514 10.9351 10.9351 11.5013 11.5013 11.5117 11.5128 11.7777 11.7777 12.3660 12.3660 k = 0.3333 0.5774 0.2481 ( 4971 PWs) bands (ev): -27.4502 -27.4502 -27.4502 -27.4502 -21.5919 -21.5919 -16.0382 -16.0382 -16.0368 -16.0368 -15.0076 -15.0076 -14.9818 -14.9796 -14.9754 -14.9754 -10.2129 -10.2078 -10.2078 -10.1758 -9.1708 -9.1708 -9.1355 -9.1355 -9.0062 -8.9644 -8.9642 -8.9642 -5.2529 -5.2529 -3.4612 -3.4612 -3.1825 -3.1811 -3.1682 -3.1682 -0.0803 -0.0803 -0.0683 -0.0629 -0.0603 -0.0603 1.8494 1.8494 1.8594 1.8596 2.5351 2.5371 2.5371 2.5385 3.1606 3.1617 3.1709 3.1709 3.4933 3.4933 3.6506 3.6506 3.8445 3.8501 3.8531 3.8531 4.0328 4.0328 7.8411 7.8411 10.9693 10.9693 11.5476 11.5476 11.5584 11.5596 11.8108 11.8108 12.3933 12.3936 k = 0.3333 0.5774 0.2688 ( 4959 PWs) bands (ev): -27.4487 -27.4487 -27.4487 -27.4487 -21.5909 -21.5909 -16.0371 -16.0371 -16.0356 -16.0356 -15.0041 -15.0041 -14.9829 -14.9805 -14.9765 -14.9765 -10.2182 -10.2118 -10.2118 -10.1788 -9.1757 -9.1757 -9.1370 -9.1370 -9.0165 -8.9722 -8.9691 -8.9691 -5.2508 -5.2508 -3.4763 -3.4763 -3.1799 -3.1785 -3.1657 -3.1657 -0.0839 -0.0839 -0.0669 -0.0612 -0.0590 -0.0590 1.8445 1.8445 1.8543 1.8545 2.5245 2.5266 2.5266 2.5280 3.1650 3.1659 3.1744 3.1744 3.4883 3.4883 3.6466 3.6466 3.8400 3.8459 3.8496 3.8496 4.0211 4.0211 7.8304 7.8304 11.0052 11.0052 11.5970 11.5970 11.6082 11.6096 11.8465 11.8465 12.4220 12.4226 k = 0.3333 0.5774 0.2895 ( 4965 PWs) bands (ev): -27.4472 -27.4471 -27.4471 -27.4471 -21.5899 -21.5899 -16.0359 -16.0359 -16.0344 -16.0344 -15.0004 -15.0004 -14.9840 -14.9816 -14.9777 -14.9777 -10.2237 -10.2162 -10.2162 -10.1822 -9.1811 -9.1811 -9.1382 -9.1382 -9.0272 -8.9805 -8.9742 -8.9742 -5.2486 -5.2486 -3.4922 -3.4922 -3.1773 -3.1758 -3.1631 -3.1631 -0.0878 -0.0878 -0.0655 -0.0595 -0.0577 -0.0577 1.8394 1.8394 1.8489 1.8491 2.5135 2.5156 2.5156 2.5170 3.1696 3.1703 3.1782 3.1782 3.4830 3.4830 3.6420 3.6420 3.8351 3.8412 3.8457 3.8457 4.0092 4.0092 7.8191 7.8191 11.0424 11.0424 11.6491 11.6491 11.6608 11.6625 11.8844 11.8844 12.4508 12.4544 k = 0.3333 0.5774 0.3101 ( 4959 PWs) bands (ev): -27.4455 -27.4455 -27.4455 -27.4455 -21.5888 -21.5888 -16.0346 -16.0346 -16.0331 -16.0331 -14.9965 -14.9965 -14.9852 -14.9827 -14.9789 -14.9789 -10.2293 -10.2208 -10.2208 -10.1858 -9.1870 -9.1870 -9.1393 -9.1393 -9.0382 -8.9894 -8.9795 -8.9795 -5.2463 -5.2463 -3.5087 -3.5087 -3.1745 -3.1729 -3.1603 -3.1603 -0.0919 -0.0919 -0.0642 -0.0579 -0.0564 -0.0564 1.8340 1.8340 1.8431 1.8434 2.5020 2.5042 2.5042 2.5056 3.1746 3.1751 3.1822 3.1822 3.4775 3.4775 3.6366 3.6366 3.8299 3.8362 3.8415 3.8415 3.9974 3.9974 7.8075 7.8075 11.0808 11.0808 11.7038 11.7038 11.7159 11.7179 11.9245 11.9245 12.4799 12.4839 k = 0.3333 0.5774 0.3308 ( 4941 PWs) bands (ev): -27.4438 -27.4438 -27.4438 -27.4438 -21.5877 -21.5877 -16.0333 -16.0333 -16.0318 -16.0317 -14.9925 -14.9925 -14.9865 -14.9838 -14.9801 -14.9801 -10.2349 -10.2256 -10.2256 -10.1896 -9.1933 -9.1933 -9.1403 -9.1403 -9.0495 -8.9987 -8.9849 -8.9849 -5.2439 -5.2439 -3.5259 -3.5259 -3.1715 -3.1699 -3.1574 -3.1574 -0.0960 -0.0960 -0.0628 -0.0564 -0.0552 -0.0552 1.8285 1.8285 1.8372 1.8375 2.4902 2.4924 2.4924 2.4938 3.1800 3.1801 3.1866 3.1866 3.4717 3.4717 3.6305 3.6305 3.8244 3.8307 3.8369 3.8369 3.9856 3.9856 7.7955 7.7955 11.1201 11.1201 11.7606 11.7606 11.7733 11.7756 11.9667 11.9667 12.5100 12.5162 k = 0.3333 0.5774 0.3515 ( 4941 PWs) bands (ev): -27.4421 -27.4421 -27.4421 -27.4421 -21.5866 -21.5866 -16.0319 -16.0319 -16.0304 -16.0304 -14.9888 -14.9888 -14.9878 -14.9850 -14.9810 -14.9810 -10.2406 -10.2306 -10.2306 -10.1938 -9.1999 -9.1999 -9.1411 -9.1411 -9.0609 -9.0084 -8.9904 -8.9904 -5.2414 -5.2414 -3.5436 -3.5436 -3.1685 -3.1669 -3.1544 -3.1544 -0.1004 -0.1004 -0.0616 -0.0550 -0.0541 -0.0541 1.8227 1.8227 1.8310 1.8315 2.4780 2.4803 2.4803 2.4816 3.1854 3.1856 3.1913 3.1913 3.4658 3.4658 3.6236 3.6236 3.8185 3.8249 3.8319 3.8319 3.9740 3.9740 7.7832 7.7832 11.1598 11.1598 11.8192 11.8192 11.8326 11.8352 12.0105 12.0105 12.5403 12.5480 k = 0.3333 0.5774 0.3722 ( 4941 PWs) bands (ev): -27.4403 -27.4403 -27.4403 -27.4403 -21.5854 -21.5854 -16.0305 -16.0305 -16.0289 -16.0289 -14.9892 -14.9864 -14.9864 -14.9863 -14.9805 -14.9805 -10.2463 -10.2358 -10.2358 -10.1981 -9.2069 -9.2069 -9.1419 -9.1419 -9.0725 -9.0185 -8.9961 -8.9961 -5.2388 -5.2388 -3.5617 -3.5617 -3.1653 -3.1637 -3.1513 -3.1513 -0.1048 -0.1048 -0.0605 -0.0537 -0.0531 -0.0531 1.8168 1.8168 1.8247 1.8252 2.4656 2.4679 2.4679 2.4692 3.1910 3.1916 3.1964 3.1964 3.4596 3.4596 3.6158 3.6158 3.8123 3.8186 3.8264 3.8264 3.9629 3.9629 7.7707 7.7707 11.1999 11.1999 11.8792 11.8792 11.8933 11.8963 12.0558 12.0558 12.5705 12.5792 k = 0.3333 0.5774 0.3928 ( 4947 PWs) bands (ev): -27.4385 -27.4385 -27.4385 -27.4385 -21.5842 -21.5842 -16.0290 -16.0290 -16.0275 -16.0275 -14.9906 -14.9877 -14.9865 -14.9865 -14.9775 -14.9775 -10.2520 -10.2411 -10.2411 -10.2027 -9.2140 -9.2140 -9.1425 -9.1425 -9.0841 -9.0289 -9.0017 -9.0017 -5.2361 -5.2361 -3.5801 -3.5801 -3.1621 -3.1605 -3.1482 -3.1482 -0.1094 -0.1094 -0.0595 -0.0526 -0.0523 -0.0523 1.8107 1.8107 1.8182 1.8188 2.4530 2.4553 2.4553 2.4565 3.1970 3.1979 3.2019 3.2019 3.4534 3.4534 3.6071 3.6071 3.8056 3.8119 3.8205 3.8205 3.9523 3.9523 7.7580 7.7580 11.2401 11.2401 11.9402 11.9402 11.9550 11.9585 12.1023 12.1023 12.6003 12.6100 k = 0.3333 0.5774 0.4135 ( 4947 PWs) bands (ev): -27.4366 -27.4366 -27.4366 -27.4366 -21.5830 -21.5830 -16.0275 -16.0275 -16.0260 -16.0260 -14.9921 -14.9892 -14.9877 -14.9877 -14.9733 -14.9733 -10.2576 -10.2466 -10.2466 -10.2074 -9.2214 -9.2214 -9.1431 -9.1431 -9.0957 -9.0396 -9.0074 -9.0074 -5.2333 -5.2333 -3.5988 -3.5988 -3.1588 -3.1572 -3.1449 -3.1449 -0.1141 -0.1141 -0.0586 -0.0516 -0.0516 -0.0516 1.8046 1.8046 1.8116 1.8122 2.4403 2.4425 2.4425 2.4437 3.2033 3.2045 3.2077 3.2077 3.4470 3.4470 3.5975 3.5975 3.7985 3.8048 3.8140 3.8140 3.9424 3.9424 7.7453 7.7453 11.2801 11.2801 12.0017 12.0017 12.0173 12.0214 12.1496 12.1496 12.6292 12.6399 k = 0.3333 0.5774 0.4342 ( 4941 PWs) bands (ev): -27.4347 -27.4347 -27.4347 -27.4347 -21.5818 -21.5818 -16.0260 -16.0260 -16.0244 -16.0244 -14.9936 -14.9906 -14.9892 -14.9892 -14.9688 -14.9688 -10.2631 -10.2522 -10.2522 -10.2123 -9.2288 -9.2288 -9.1437 -9.1437 -9.1073 -9.0505 -9.0131 -9.0131 -5.2305 -5.2305 -3.6177 -3.6177 -3.1554 -3.1538 -3.1417 -3.1417 -0.1188 -0.1188 -0.0577 -0.0510 -0.0510 -0.0508 1.7984 1.7984 1.8050 1.8056 2.4274 2.4296 2.4296 2.4307 3.2099 3.2115 3.2139 3.2139 3.4405 3.4405 3.5870 3.5870 3.7911 3.7972 3.8071 3.8071 3.9331 3.9331 7.7325 7.7325 11.3198 11.3198 12.0634 12.0634 12.0798 12.0844 12.1973 12.1973 12.6570 12.6687 k = 0.3333 0.5774 0.4549 ( 4944 PWs) bands (ev): -27.4328 -27.4328 -27.4328 -27.4328 -21.5805 -21.5805 -16.0245 -16.0245 -16.0229 -16.0229 -14.9951 -14.9921 -14.9909 -14.9909 -14.9641 -14.9641 -10.2685 -10.2578 -10.2578 -10.2173 -9.2364 -9.2364 -9.1442 -9.1442 -9.1188 -9.0616 -9.0188 -9.0188 -5.2277 -5.2277 -3.6366 -3.6366 -3.1521 -3.1504 -3.1384 -3.1384 -0.1235 -0.1235 -0.0571 -0.0506 -0.0506 -0.0501 1.7922 1.7922 1.7983 1.7990 2.4146 2.4167 2.4167 2.4178 3.2169 3.2189 3.2206 3.2206 3.4340 3.4340 3.5756 3.5756 3.7832 3.7891 3.7997 3.7997 3.9247 3.9247 7.7198 7.7198 11.3590 11.3590 12.1247 12.1247 12.1419 12.1472 12.2450 12.2450 12.6833 12.6959 k = 0.3333 0.5774 0.4755 ( 4959 PWs) bands (ev): -27.4308 -27.4308 -27.4308 -27.4308 -21.5793 -21.5793 -16.0230 -16.0230 -16.0214 -16.0214 -14.9967 -14.9937 -14.9926 -14.9926 -14.9594 -14.9594 -10.2738 -10.2635 -10.2635 -10.2224 -9.2440 -9.2440 -9.1446 -9.1446 -9.1301 -9.0728 -9.0243 -9.0243 -5.2248 -5.2248 -3.6554 -3.6554 -3.1487 -3.1471 -3.1350 -3.1350 -0.1282 -0.1282 -0.0566 -0.0504 -0.0504 -0.0497 1.7859 1.7859 1.7916 1.7924 2.4017 2.4039 2.4039 2.4048 3.2243 3.2266 3.2277 3.2277 3.4275 3.4275 3.5635 3.5635 3.7749 3.7806 3.7917 3.7917 3.9170 3.9170 7.7071 7.7071 11.3975 11.3975 12.1852 12.1852 12.2032 12.2092 12.2921 12.2921 12.7081 12.7215 k = 0.3333 0.5774 0.4962 ( 4959 PWs) bands (ev): -27.4289 -27.4289 -27.4289 -27.4289 -21.5780 -21.5780 -16.0215 -16.0215 -16.0198 -16.0198 -14.9982 -14.9953 -14.9943 -14.9943 -14.9547 -14.9547 -10.2789 -10.2693 -10.2693 -10.2276 -9.2515 -9.2515 -9.1451 -9.1451 -9.1411 -9.0840 -9.0298 -9.0298 -5.2219 -5.2219 -3.6742 -3.6742 -3.1452 -3.1437 -3.1317 -3.1317 -0.1329 -0.1329 -0.0562 -0.0503 -0.0503 -0.0493 1.7798 1.7798 1.7849 1.7857 2.3890 2.3910 2.3910 2.3920 3.2321 3.2347 3.2352 3.2352 3.4210 3.4210 3.5507 3.5507 3.7661 3.7716 3.7832 3.7832 3.9102 3.9102 7.6946 7.6946 11.4352 11.4352 12.2444 12.2444 12.2633 12.2701 12.3381 12.3381 12.7311 12.7452 k = 0.3333 0.5774 0.5169 ( 4965 PWs) bands (ev): -27.4270 -27.4270 -27.4270 -27.4270 -21.5768 -21.5768 -16.0200 -16.0200 -16.0183 -16.0183 -14.9998 -14.9969 -14.9961 -14.9961 -14.9500 -14.9500 -10.2838 -10.2750 -10.2750 -10.2328 -9.2590 -9.2590 -9.1519 -9.1456 -9.1456 -9.0953 -9.0352 -9.0352 -5.2190 -5.2190 -3.6927 -3.6927 -3.1419 -3.1403 -3.1284 -3.1284 -0.1376 -0.1376 -0.0560 -0.0504 -0.0504 -0.0492 1.7737 1.7737 1.7783 1.7792 2.3764 2.3784 2.3784 2.3793 3.2403 3.2432 3.2433 3.2433 3.4145 3.4145 3.5373 3.5373 3.7569 3.7621 3.7741 3.7741 3.9041 3.9041 7.6824 7.6824 11.4720 11.4720 12.3021 12.3021 12.3218 12.3293 12.3826 12.3826 12.7524 12.7671 k = 0.3333 0.5774 0.5376 ( 4941 PWs) bands (ev): -27.4251 -27.4251 -27.4251 -27.4251 -21.5756 -21.5756 -16.0185 -16.0185 -16.0168 -16.0168 -15.0013 -14.9984 -14.9978 -14.9978 -14.9453 -14.9453 -10.2885 -10.2806 -10.2806 -10.2381 -9.2664 -9.2664 -9.1624 -9.1460 -9.1460 -9.1065 -9.0403 -9.0403 -5.2161 -5.2161 -3.7109 -3.7109 -3.1385 -3.1370 -3.1251 -3.1251 -0.1421 -0.1421 -0.0557 -0.0505 -0.0505 -0.0491 1.7677 1.7677 1.7719 1.7728 2.3640 2.3659 2.3659 2.3667 3.2489 3.2518 3.2518 3.2522 3.4082 3.4082 3.5235 3.5235 3.7473 3.7521 3.7645 3.7645 3.8988 3.8988 7.6704 7.6704 11.5078 11.5078 12.3579 12.3579 12.3783 12.3867 12.4250 12.4250 12.7720 12.7872 k = 0.3333 0.5774 0.5582 ( 4965 PWs) bands (ev): -27.4233 -27.4233 -27.4233 -27.4233 -21.5744 -21.5744 -16.0170 -16.0170 -16.0153 -16.0153 -15.0029 -15.0000 -14.9996 -14.9996 -14.9407 -14.9407 -10.2930 -10.2862 -10.2862 -10.2434 -9.2736 -9.2736 -9.1725 -9.1465 -9.1465 -9.1176 -9.0453 -9.0453 -5.2133 -5.2133 -3.7288 -3.7288 -3.1352 -3.1337 -3.1219 -3.1219 -0.1467 -0.1467 -0.0558 -0.0509 -0.0509 -0.0493 1.7618 1.7618 1.7655 1.7664 2.3519 2.3537 2.3537 2.3545 3.2579 3.2607 3.2607 3.2615 3.4019 3.4019 3.5094 3.5094 3.7372 3.7416 3.7542 3.7542 3.8942 3.8942 7.6587 7.6587 11.5424 11.5424 12.4113 12.4113 12.4324 12.4417 12.4648 12.4648 12.7900 12.8057 k = 0.3333 0.5774 0.5789 ( 4962 PWs) bands (ev): -27.4215 -27.4215 -27.4215 -27.4215 -21.5732 -21.5732 -16.0155 -16.0155 -16.0138 -16.0138 -15.0044 -15.0016 -15.0013 -15.0013 -14.9362 -14.9362 -10.2971 -10.2917 -10.2917 -10.2486 -9.2806 -9.2806 -9.1822 -9.1471 -9.1471 -9.1285 -9.0501 -9.0501 -5.2105 -5.2105 -3.7461 -3.7461 -3.1319 -3.1305 -3.1188 -3.1188 -0.1510 -0.1510 -0.0559 -0.0513 -0.0513 -0.0496 1.7561 1.7561 1.7593 1.7603 2.3401 2.3417 2.3417 2.3425 3.2674 3.2702 3.2702 3.2712 3.3958 3.3958 3.4952 3.4952 3.7267 3.7307 3.7435 3.7435 3.8902 3.8902 7.6473 7.6473 11.5759 11.5759 12.4623 12.4623 12.4839 12.4941 12.5015 12.5015 12.8066 12.8226 k = 0.3333 0.5774 0.5996 ( 4956 PWs) bands (ev): -27.4197 -27.4197 -27.4197 -27.4197 -21.5720 -21.5720 -16.0141 -16.0141 -16.0124 -16.0124 -15.0059 -15.0032 -15.0030 -15.0030 -14.9318 -14.9318 -10.3010 -10.2971 -10.2971 -10.2538 -9.2875 -9.2875 -9.1915 -9.1476 -9.1476 -9.1393 -9.0546 -9.0546 -5.2077 -5.2077 -3.7630 -3.7630 -3.1287 -3.1274 -3.1157 -3.1157 -0.1552 -0.1552 -0.0561 -0.0519 -0.0519 -0.0500 1.7506 1.7506 1.7534 1.7543 2.3286 2.3302 2.3302 2.3309 3.2772 3.2801 3.2801 3.2813 3.3899 3.3899 3.4809 3.4809 3.7157 3.7194 3.7322 3.7322 3.8868 3.8868 7.6364 7.6364 11.6082 11.6082 12.5106 12.5106 12.5327 12.5348 12.5348 12.5438 12.8219 12.8383 k = 0.3333 0.5774 0.6203 ( 4974 PWs) bands (ev): -27.4180 -27.4180 -27.4180 -27.4180 -21.5709 -21.5709 -16.0128 -16.0128 -16.0110 -16.0110 -15.0074 -15.0048 -15.0047 -15.0047 -14.9275 -14.9275 -10.3046 -10.3023 -10.3023 -10.2590 -9.2940 -9.2940 -9.2002 -9.1499 -9.1483 -9.1483 -9.0589 -9.0589 -5.2050 -5.2050 -3.7792 -3.7792 -3.1256 -3.1244 -3.1127 -3.1127 -0.1593 -0.1593 -0.0564 -0.0526 -0.0526 -0.0506 1.7453 1.7453 1.7476 1.7485 2.3175 2.3190 2.3190 2.3197 3.2876 3.2905 3.2905 3.2918 3.3842 3.3842 3.4668 3.4668 3.7043 3.7075 3.7205 3.7205 3.8839 3.8839 7.6259 7.6259 11.6392 11.6392 12.5559 12.5559 12.5645 12.5645 12.5785 12.5905 12.8361 12.8528 k = 0.3333 0.5774 0.6409 ( 4974 PWs) bands (ev): -27.4164 -27.4164 -27.4164 -27.4164 -21.5699 -21.5699 -16.0114 -16.0114 -16.0097 -16.0097 -15.0088 -15.0063 -15.0063 -15.0063 -14.9234 -14.9234 -10.3078 -10.3073 -10.3073 -10.2641 -9.3003 -9.3003 -9.2084 -9.1601 -9.1490 -9.1490 -9.0628 -9.0628 -5.2025 -5.2025 -3.7947 -3.7947 -3.1227 -3.1215 -3.1098 -3.1098 -0.1632 -0.1632 -0.0568 -0.0533 -0.0533 -0.0513 1.7403 1.7403 1.7421 1.7430 2.3069 2.3083 2.3083 2.3089 3.2983 3.3013 3.3013 3.3027 3.3788 3.3788 3.4529 3.4529 3.6925 3.6953 3.7082 3.7082 3.8815 3.8815 7.6159 7.6159 11.6688 11.6688 12.5896 12.5896 12.5991 12.5991 12.6213 12.6342 12.8492 12.8662 k = 0.3333 0.5774 0.6616 ( 4980 PWs) bands (ev): -27.4148 -27.4148 -27.4148 -27.4148 -21.5689 -21.5689 -16.0102 -16.0102 -16.0084 -16.0084 -15.0102 -15.0079 -15.0079 -15.0078 -14.9194 -14.9194 -10.3121 -10.3121 -10.3108 -10.2690 -9.3063 -9.3063 -9.2161 -9.1700 -9.1498 -9.1498 -9.0665 -9.0665 -5.2000 -5.2000 -3.8095 -3.8095 -3.1198 -3.1187 -3.1071 -3.1071 -0.1669 -0.1669 -0.0572 -0.0541 -0.0541 -0.0520 1.7355 1.7355 1.7369 1.7378 2.2968 2.2981 2.2981 2.2987 3.3094 3.3125 3.3125 3.3140 3.3737 3.3737 3.4395 3.4395 3.6803 3.6827 3.6955 3.6955 3.8794 3.8794 7.6064 7.6064 11.6970 11.6970 12.6115 12.6115 12.6385 12.6385 12.6609 12.6747 12.8613 12.8787 k = 0.3333 0.5774 0.6823 ( 4983 PWs) bands (ev): -27.4133 -27.4133 -27.4133 -27.4133 -21.5679 -21.5679 -16.0090 -16.0090 -16.0072 -16.0072 -15.0115 -15.0095 -15.0095 -15.0093 -14.9157 -14.9157 -10.3167 -10.3167 -10.3133 -10.2739 -9.3119 -9.3119 -9.2231 -9.1796 -9.1506 -9.1506 -9.0698 -9.0698 -5.1976 -5.1976 -3.8235 -3.8235 -3.1171 -3.1161 -3.1045 -3.1045 -0.1704 -0.1704 -0.0577 -0.0550 -0.0550 -0.0528 1.7310 1.7310 1.7320 1.7329 2.2873 2.2884 2.2884 2.2890 3.3210 3.3239 3.3239 3.3256 3.3690 3.3690 3.4266 3.4266 3.6677 3.6697 3.6823 3.6823 3.8777 3.8777 7.5975 7.5975 11.7237 11.7237 12.6294 12.6294 12.6751 12.6751 12.6974 12.7121 12.8726 12.8904 k = 0.3333 0.5774 0.7030 ( 4965 PWs) bands (ev): -27.4119 -27.4119 -27.4119 -27.4119 -21.5670 -21.5670 -16.0079 -16.0079 -16.0061 -16.0061 -15.0127 -15.0108 -15.0108 -15.0106 -14.9121 -14.9121 -10.3210 -10.3210 -10.3155 -10.2786 -9.3171 -9.3171 -9.2295 -9.1887 -9.1515 -9.1515 -9.0728 -9.0728 -5.1954 -5.1954 -3.8365 -3.8365 -3.1146 -3.1136 -3.1020 -3.1020 -0.1736 -0.1736 -0.0581 -0.0558 -0.0558 -0.0535 1.7268 1.7268 1.7274 1.7282 2.2784 2.2794 2.2794 2.2799 3.3329 3.3353 3.3353 3.3376 3.3651 3.3651 3.4143 3.4143 3.6549 3.6564 3.6688 3.6688 3.8763 3.8763 7.5892 7.5892 11.7488 11.7488 12.6436 12.6436 12.7087 12.7087 12.7308 12.7463 12.8830 12.9012 k = 0.3333 0.5774 0.7236 ( 4971 PWs) bands (ev): -27.4107 -27.4107 -27.4107 -27.4107 -21.5662 -21.5662 -16.0068 -16.0068 -16.0050 -16.0050 -15.0138 -15.0122 -15.0122 -15.0119 -14.9089 -14.9089 -10.3250 -10.3250 -10.3174 -10.2831 -9.3220 -9.3220 -9.2352 -9.1974 -9.1524 -9.1524 -9.0755 -9.0755 -5.1933 -5.1933 -3.8487 -3.8487 -3.1122 -3.1113 -3.0997 -3.0997 -0.1767 -0.1767 -0.0586 -0.0566 -0.0566 -0.0544 1.7229 1.7229 1.7232 1.7239 2.2701 2.2710 2.2710 2.2715 3.3452 3.3454 3.3454 3.3499 3.3633 3.3633 3.4028 3.4028 3.6417 3.6427 3.6549 3.6549 3.8752 3.8752 7.5816 7.5816 11.7723 11.7723 12.6545 12.6545 12.7394 12.7394 12.7611 12.7774 12.8925 12.9111 k = 0.3333 0.5774 0.7443 ( 4977 PWs) bands (ev): -27.4095 -27.4095 -27.4095 -27.4095 -21.5654 -21.5654 -16.0059 -16.0059 -16.0040 -16.0040 -15.0149 -15.0135 -15.0135 -15.0131 -14.9058 -14.9058 -10.3286 -10.3286 -10.3189 -10.2874 -9.3264 -9.3264 -9.2402 -9.2056 -9.1534 -9.1534 -9.0778 -9.0778 -5.1913 -5.1913 -3.8598 -3.8598 -3.1100 -3.1092 -3.0976 -3.0976 -0.1795 -0.1795 -0.0591 -0.0575 -0.0575 -0.0553 1.7193 1.7193 1.7193 1.7200 2.2624 2.2633 2.2633 2.2637 3.3497 3.3497 3.3578 3.3625 3.3677 3.3677 3.3924 3.3924 3.6283 3.6289 3.6406 3.6406 3.8742 3.8742 7.5745 7.5745 11.7941 11.7941 12.6625 12.6625 12.7672 12.7672 12.7884 12.8054 12.9012 12.9201 k = 0.3333 0.5774 0.7650 ( 4977 PWs) bands (ev): -27.4084 -27.4084 -27.4084 -27.4084 -21.5647 -21.5647 -16.0050 -16.0050 -16.0032 -16.0032 -15.0158 -15.0146 -15.0146 -15.0142 -14.9031 -14.9031 -10.3320 -10.3320 -10.3200 -10.2916 -9.3305 -9.3305 -9.2445 -9.2133 -9.1544 -9.1544 -9.0799 -9.0799 -5.1896 -5.1896 -3.8699 -3.8699 -3.1080 -3.1073 -3.0957 -3.0957 -0.1820 -0.1820 -0.0595 -0.0583 -0.0583 -0.0561 1.7158 1.7161 1.7161 1.7164 2.2555 2.2562 2.2562 2.2567 3.3485 3.3485 3.3707 3.3754 3.3763 3.3763 3.3849 3.3849 3.6147 3.6148 3.6262 3.6262 3.8735 3.8735 7.5681 7.5681 11.8140 11.8140 12.6680 12.6680 12.7921 12.7921 12.8128 12.8304 12.9088 12.9281 k = 0.3333 0.5774 0.7857 ( 4974 PWs) bands (ev): -27.4074 -27.4074 -27.4074 -27.4074 -21.5641 -21.5641 -16.0042 -16.0042 -16.0024 -16.0024 -15.0167 -15.0156 -15.0156 -15.0152 -14.9006 -14.9006 -10.3350 -10.3350 -10.3207 -10.2955 -9.3340 -9.3340 -9.2481 -9.2204 -9.1553 -9.1553 -9.0816 -9.0816 -5.1880 -5.1880 -3.8789 -3.8789 -3.1062 -3.1056 -3.0940 -3.0940 -0.1842 -0.1842 -0.0599 -0.0591 -0.0591 -0.0569 1.7127 1.7132 1.7132 1.7132 2.2494 2.2500 2.2500 2.2504 3.3460 3.3460 3.3721 3.3721 3.3839 3.3884 3.3932 3.3932 3.6006 3.6009 3.6115 3.6115 3.8729 3.8729 7.5625 7.5625 11.8320 11.8320 12.6714 12.6714 12.8144 12.8144 12.8344 12.8526 12.9155 12.9350 k = 0.3333 0.5774 0.8063 ( 4974 PWs) bands (ev): -27.4066 -27.4066 -27.4066 -27.4066 -21.5635 -21.5635 -16.0035 -16.0035 -16.0017 -16.0017 -15.0174 -15.0165 -15.0165 -15.0161 -14.8984 -14.8984 -10.3376 -10.3376 -10.3211 -10.2992 -9.3372 -9.3372 -9.2510 -9.2269 -9.1562 -9.1562 -9.0830 -9.0830 -5.1866 -5.1866 -3.8868 -3.8868 -3.1046 -3.1041 -3.0924 -3.0924 -0.1862 -0.1862 -0.0603 -0.0597 -0.0597 -0.0577 1.7099 1.7104 1.7107 1.7107 2.2440 2.2445 2.2445 2.2448 3.3435 3.3435 3.3646 3.3646 3.3972 3.4015 3.4063 3.4063 3.5864 3.5871 3.5967 3.5967 3.8724 3.8724 7.5575 7.5575 11.8479 11.8479 12.6733 12.6733 12.8339 12.8339 12.8535 12.8720 12.9210 12.9400 k = 0.3333 0.5774 0.8270 ( 4968 PWs) bands (ev): -27.4058 -27.4058 -27.4058 -27.4058 -21.5630 -21.5630 -16.0029 -16.0029 -16.0011 -16.0011 -15.0180 -15.0173 -15.0173 -15.0169 -14.8965 -14.8965 -10.3399 -10.3399 -10.3211 -10.3027 -9.3398 -9.3398 -9.2531 -9.2328 -9.1570 -9.1570 -9.0842 -9.0842 -5.1854 -5.1854 -3.8935 -3.8935 -3.1032 -3.1028 -3.0911 -3.0911 -0.1878 -0.1878 -0.0606 -0.0603 -0.0603 -0.0584 1.7076 1.7080 1.7085 1.7085 2.2394 2.2398 2.2398 2.2401 3.3413 3.3413 3.3580 3.3580 3.4105 3.4147 3.4200 3.4200 3.5723 3.5734 3.5819 3.5819 3.8720 3.8720 7.5533 7.5533 11.8616 11.8616 12.6740 12.6740 12.8508 12.8508 12.8700 12.8888 12.9253 12.9436 k = 0.3333 0.5774 0.8477 ( 4962 PWs) bands (ev): -27.4052 -27.4052 -27.4052 -27.4052 -21.5627 -21.5627 -16.0024 -16.0024 -16.0006 -16.0006 -15.0184 -15.0179 -15.0179 -15.0176 -14.8950 -14.8950 -10.3417 -10.3417 -10.3208 -10.3059 -9.3420 -9.3420 -9.2544 -9.2381 -9.1577 -9.1577 -9.0852 -9.0852 -5.1844 -5.1844 -3.8991 -3.8991 -3.1021 -3.1017 -3.0901 -3.0901 -0.1892 -0.1892 -0.0608 -0.0608 -0.0608 -0.0590 1.7057 1.7061 1.7068 1.7068 2.2356 2.2359 2.2359 2.2362 3.3395 3.3395 3.3524 3.3524 3.4238 3.4276 3.4339 3.4339 3.5585 3.5598 3.5672 3.5672 3.8718 3.8718 7.5498 7.5498 11.8731 11.8731 12.6740 12.6740 12.8650 12.8650 12.8842 12.9028 12.9284 12.9462 k = 0.3333 0.5774 0.8684 ( 4968 PWs) bands (ev): -27.4048 -27.4048 -27.4048 -27.4048 -21.5623 -21.5623 -16.0020 -16.0020 -16.0002 -16.0002 -15.0188 -15.0184 -15.0184 -15.0182 -14.8937 -14.8937 -10.3432 -10.3432 -10.3201 -10.3089 -9.3438 -9.3438 -9.2550 -9.2427 -9.1583 -9.1583 -9.0859 -9.0859 -5.1836 -5.1836 -3.9034 -3.9034 -3.1012 -3.1009 -3.0892 -3.0892 -0.1902 -0.1902 -0.0613 -0.0613 -0.0609 -0.0596 1.7043 1.7045 1.7054 1.7054 2.2327 2.2329 2.2329 2.2331 3.3381 3.3381 3.3479 3.3479 3.4366 3.4400 3.4476 3.4476 3.5453 3.5469 3.5529 3.5529 3.8716 3.8716 7.5471 7.5471 11.8821 11.8821 12.6736 12.6736 12.8765 12.8765 12.8961 12.9139 12.9307 12.9478 k = 0.3333 0.5774 0.8890 ( 4968 PWs) bands (ev): -27.4044 -27.4044 -27.4044 -27.4044 -21.5621 -21.5621 -16.0018 -16.0018 -15.9999 -15.9999 -15.0190 -15.0188 -15.0188 -15.0186 -14.8928 -14.8928 -10.3442 -10.3442 -10.3190 -10.3115 -9.3450 -9.3450 -9.2548 -9.2466 -9.1587 -9.1587 -9.0864 -9.0864 -5.1830 -5.1830 -3.9065 -3.9065 -3.1005 -3.1004 -3.0886 -3.0886 -0.1909 -0.1909 -0.0616 -0.0616 -0.0609 -0.0600 1.7032 1.7034 1.7044 1.7044 2.2306 2.2307 2.2307 2.2309 3.3372 3.3372 3.3446 3.3446 3.4483 3.4512 3.4605 3.4605 3.5336 3.5351 3.5396 3.5396 3.8714 3.8714 7.5452 7.5452 11.8886 11.8886 12.6731 12.6731 12.8850 12.8850 12.9059 12.9207 12.9335 12.9486 k = 0.3333 0.5774 0.9097 ( 4962 PWs) bands (ev): -27.4042 -27.4042 -27.4042 -27.4042 -21.5620 -21.5620 -16.0016 -16.0016 -15.9998 -15.9998 -15.0191 -15.0190 -15.0190 -15.0189 -14.8923 -14.8923 -10.3449 -10.3449 -10.3176 -10.3139 -9.3457 -9.3457 -9.2539 -9.2497 -9.1589 -9.1589 -9.0867 -9.0867 -5.1827 -5.1827 -3.9084 -3.9084 -3.1001 -3.1000 -3.0883 -3.0883 -0.1914 -0.1914 -0.0617 -0.0617 -0.0608 -0.0604 1.7026 1.7027 1.7038 1.7038 2.2294 2.2294 2.2294 2.2295 3.3367 3.3367 3.3426 3.3426 3.4577 3.4594 3.4710 3.4710 3.5248 3.5259 3.5288 3.5288 3.8714 3.8714 7.5440 7.5440 11.8926 11.8926 12.6727 12.6727 12.8902 12.8902 12.9135 12.9218 12.9382 12.9467 k = 0.3333 0.5774 0.9304 ( 4950 PWs) bands (ev): -27.4042 -27.4042 -27.4042 -27.4042 -21.5620 -21.5620 -16.0015 -16.0015 -15.9997 -15.9997 -15.0190 -15.0190 -15.0190 -15.0190 -14.8921 -14.8921 -10.3451 -10.3451 -10.3159 -10.3159 -9.3460 -9.3460 -9.2522 -9.2522 -9.1590 -9.1590 -9.0868 -9.0868 -5.1826 -5.1826 -3.9090 -3.9090 -3.0999 -3.0999 -3.0881 -3.0881 -0.1915 -0.1915 -0.0618 -0.0618 -0.0606 -0.0606 1.7024 1.7024 1.7036 1.7036 2.2289 2.2289 2.2290 2.2290 3.3365 3.3365 3.3419 3.3419 3.4621 3.4621 3.4756 3.4756 3.5217 3.5217 3.5242 3.5242 3.8713 3.8713 7.5436 7.5436 11.8939 11.8939 12.6726 12.6726 12.8920 12.8920 12.9189 12.9189 12.9430 12.9430 Writing output data file Sr2H3NO6.save init_run : 1.25s CPU 0.73s WALL ( 1 calls) electrons : 573.04s CPU 469.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.11s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 573.03s CPU 469.68s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.60s CPU 0.61s WALL ( 296 calls) cegterg : 520.96s CPU 438.76s WALL ( 806 calls) Called by sum_band: Called by *egterg: h_psi : 300.16s CPU 212.15s WALL ( 14999 calls) s_psi : 14.88s CPU 11.71s WALL ( 14999 calls) g_psi : 0.59s CPU 0.54s WALL ( 13897 calls) cdiaghg : 193.68s CPU 187.23s WALL ( 14193 calls) cegterg:over : 20.97s CPU 18.91s WALL ( 13897 calls) cegterg:upda : 19.24s CPU 18.35s WALL ( 13897 calls) cegterg:last : 7.36s CPU 7.24s WALL ( 1694 calls) cdiaghg:chol : 10.92s CPU 10.81s WALL ( 14193 calls) cdiaghg:inve : 7.56s CPU 7.62s WALL ( 14193 calls) cdiaghg:para : 12.86s CPU 13.13s WALL ( 28386 calls) Called by h_psi: h_psi:vloc : 263.20s CPU 182.02s WALL ( 14999 calls) h_psi:vnl : 36.09s CPU 29.51s WALL ( 14999 calls) add_vuspsi : 19.01s CPU 15.10s WALL ( 14999 calls) General routines calbec : 17.00s CPU 14.37s WALL ( 14999 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 247.14s CPU 168.34s WALL ( 1483484 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.30s CPU 1.38s WALL ( 592 calls) Parallel routines fft_scatter : 81.46s CPU 66.15s WALL ( 1483507 calls) PWSCF : 9m57.30s CPU 8m26.54s WALL This run was terminated on: 4: 9:30 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=