Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:32:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlVNi2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 26 7 3304 519 84 Max 90 27 8 3306 541 89 Sum 3205 955 283 118981 19195 3119 bravais-lattice index = 14 lattice parameter (alat) = 8.4584 a.u. unit-cell volume = 427.9053 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.458387 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Al 3.00 26.98150 Al( 1.00) V 13.00 50.94150 V( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030030 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030030 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030030 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030030 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030030 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030030 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030030 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030030 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030030 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030030 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030030 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030030 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030030 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030030 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030030 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030030 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030030 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030030 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030030 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030030 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030030 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030030 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030030 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030030 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030030 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030030 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030030 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030030 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030030 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030030 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030030 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030030 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030030 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030030 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030030 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030030 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030030 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030030 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030030 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030030 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030030 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030030 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030030 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030030 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030030 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030030 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030030 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030030 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030030 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030030 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030030 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030030 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030030 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030030 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030030 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030030 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030030 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030030 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030030 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030030 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030030 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030030 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030030 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030030 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030030 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030030 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030030 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030030 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030030 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030030 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030030 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030030 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030030 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030030 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030030 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030030 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030030 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030030 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030030 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030030 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030030 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030030 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030030 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030030 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030030 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030030 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030030 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030030 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030030 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030030 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0030030 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0030030 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0030030 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0030030 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0030030 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0030030 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0030030 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0030030 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0030030 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0030030 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0030030 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0030030 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0030030 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0030030 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0030030 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0030030 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0030030 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0030030 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0030030 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0030030 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0030030 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0030030 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0030030 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0030030 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0030030 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0030030 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0030030 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0030030 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0030030 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0030030 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0030030 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0030030 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0030030 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0030030 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0030030 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0030030 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0030030 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0030030 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0030030 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0030030 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0030030 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0030030 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0030030 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0030030 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0030030 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0030030 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0030030 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0030030 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0030030 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0030030 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0030030 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 152) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030030 k( 153) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030030 k( 154) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030030 k( 155) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030030 k( 156) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030030 k( 157) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030030 k( 158) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030030 k( 159) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030030 k( 160) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030030 k( 161) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030030 k( 162) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030030 k( 163) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030030 k( 164) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030030 k( 165) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030030 k( 166) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030030 k( 167) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030030 k( 168) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030030 k( 169) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030030 k( 170) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030030 k( 171) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030030 k( 172) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030030 k( 173) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030030 k( 174) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030030 k( 175) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030030 k( 176) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030030 k( 177) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030030 k( 178) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030030 k( 179) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030030 k( 180) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030030 k( 181) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030030 k( 182) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030030 k( 183) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030030 k( 184) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030030 k( 185) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030030 k( 186) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030030 k( 187) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030030 k( 188) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030030 k( 189) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030030 k( 190) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030030 k( 191) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030030 k( 192) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030030 k( 193) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030030 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 196) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030030 k( 197) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030030 k( 198) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030030 k( 199) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030030 k( 200) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030030 k( 201) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030030 k( 202) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030030 k( 203) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030030 k( 204) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030030 k( 205) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030030 k( 206) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030030 k( 207) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030030 k( 208) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030030 k( 209) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030030 k( 210) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030030 k( 211) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030030 k( 212) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030030 k( 213) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030030 k( 214) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030030 k( 215) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030030 k( 216) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030030 k( 217) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030030 k( 218) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030030 k( 219) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030030 k( 220) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030030 k( 221) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030030 k( 222) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030030 k( 223) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030030 k( 224) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030030 k( 225) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030030 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 228) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030030 k( 229) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030030 k( 230) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030030 k( 231) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030030 k( 232) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030030 k( 233) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030030 k( 234) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030030 k( 235) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030030 k( 236) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030030 k( 237) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030030 k( 238) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030030 k( 239) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030030 k( 240) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030030 k( 241) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030030 k( 242) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030030 k( 243) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030030 k( 244) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030030 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 246) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030030 k( 247) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0030030 k( 248) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0030030 k( 249) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0030030 k( 250) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0030030 k( 251) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0030030 k( 252) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0030030 k( 253) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0030030 k( 254) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0030030 k( 255) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0030030 k( 256) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0030030 k( 257) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0030030 k( 258) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0030030 k( 259) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0030030 k( 260) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0030030 k( 261) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0030030 k( 262) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0030030 k( 263) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0030030 k( 264) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0030030 k( 265) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0030030 k( 266) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0030030 k( 267) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0030030 k( 268) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0030030 k( 269) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0030030 k( 270) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0030030 k( 271) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0030030 k( 272) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0030030 k( 273) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0030030 k( 274) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0030030 k( 275) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0030030 k( 276) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0030030 k( 277) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0030030 k( 278) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0030030 k( 279) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0030030 k( 280) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0030030 k( 281) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0030030 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 284) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030030 k( 285) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030030 k( 286) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030030 k( 287) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030030 k( 288) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030030 k( 289) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030030 k( 290) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030030 k( 291) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030030 k( 292) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030030 k( 293) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030030 k( 294) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030030 k( 295) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030030 k( 296) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030030 k( 297) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030030 k( 298) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030030 k( 299) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030030 k( 300) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030030 k( 301) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030030 k( 302) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030030 k( 303) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030030 k( 304) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030030 k( 305) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030030 k( 306) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030030 k( 307) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030030 k( 308) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030030 k( 309) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030030 k( 310) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030030 k( 311) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030030 k( 312) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030030 k( 313) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030030 k( 314) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 315) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 316) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030030 k( 317) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030030 k( 318) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030030 k( 319) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030030 k( 320) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030030 k( 321) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030030 k( 322) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030030 k( 323) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030030 k( 324) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030030 k( 325) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030030 k( 326) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030030 k( 327) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030030 k( 328) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030030 k( 329) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030030 k( 330) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030030 k( 331) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030030 k( 332) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030030 k( 333) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0030030 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0030030 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0030030 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0030030 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030030 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0030030 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0030030 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0030030 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0030030 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030030 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0030030 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0030030 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0030030 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0030030 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0030030 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0030030 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0030030 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0030030 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0030030 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030030 k( 22) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0030030 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0030030 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0030030 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0030030 k( 26) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0030030 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0030030 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0030030 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0030030 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0030030 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0030030 k( 32) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0030030 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0030030 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0030030 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0030030 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0030030 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0030030 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0030030 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0030030 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0030030 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030030 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0030030 k( 43) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0030030 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0030030 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0030030 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0030030 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0030030 k( 48) = ( 0.4700000 -0.0000000 0.4700000), wk = 0.0030030 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0030030 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0030030 k( 51) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030030 k( 52) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030030 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030030 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030030 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030030 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030030 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030030 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030030 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030030 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030030 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030030 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030030 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030030 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030030 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030030 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030030 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030030 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030030 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030030 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030030 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030030 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030030 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030030 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030030 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030030 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030030 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030030 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030030 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030030 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030030 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030030 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030030 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030030 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030030 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030030 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030030 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030030 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030030 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030030 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030030 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030030 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030030 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030030 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0030030 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0030030 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0030030 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0030030 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0030030 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0030030 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0030030 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0030030 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0030030 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0030030 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0030030 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0030030 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0030030 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0030030 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0030030 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0030030 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0030030 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0030030 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0030030 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0030030 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0030030 k( 119) = ( 0.2193396 0.2193396 0.4386793), wk = 0.0030030 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0030030 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0030030 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0030030 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0030030 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0030030 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0030030 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0030030 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0030030 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0030030 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0030030 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0030030 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0030030 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0030030 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0030030 k( 134) = ( 0.1132076 0.1132075 0.2264151), wk = 0.0030030 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0030030 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0030030 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0030030 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0030030 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0030030 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0030030 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0030030 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0030030 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0030030 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0030030 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0030030 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0030030 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0030030 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0030030 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 152) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030030 k( 153) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030030 k( 154) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030030 k( 155) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030030 k( 156) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030030 k( 157) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030030 k( 158) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0030030 k( 159) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030030 k( 160) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030030 k( 161) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030030 k( 162) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030030 k( 163) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030030 k( 164) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030030 k( 165) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030030 k( 166) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030030 k( 167) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030030 k( 168) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030030 k( 169) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030030 k( 170) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030030 k( 171) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030030 k( 172) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030030 k( 173) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030030 k( 174) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030030 k( 175) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030030 k( 176) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030030 k( 177) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030030 k( 178) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030030 k( 179) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030030 k( 180) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030030 k( 181) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030030 k( 182) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030030 k( 183) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030030 k( 184) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030030 k( 185) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030030 k( 186) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030030 k( 187) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0030030 k( 188) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030030 k( 189) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030030 k( 190) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030030 k( 191) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030030 k( 192) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030030 k( 193) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030030 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 196) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030030 k( 197) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030030 k( 198) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0030030 k( 199) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030030 k( 200) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030030 k( 201) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030030 k( 202) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030030 k( 203) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030030 k( 204) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030030 k( 205) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030030 k( 206) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030030 k( 207) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030030 k( 208) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0030030 k( 209) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030030 k( 210) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030030 k( 211) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030030 k( 212) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030030 k( 213) = ( 0.5725807 0.3548387 0.5725806), wk = 0.0030030 k( 214) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030030 k( 215) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030030 k( 216) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030030 k( 217) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0030030 k( 218) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030030 k( 219) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030030 k( 220) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030030 k( 221) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030030 k( 222) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030030 k( 223) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0030030 k( 224) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030030 k( 225) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030030 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 228) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030030 k( 229) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030030 k( 230) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030030 k( 231) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030030 k( 232) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030030 k( 233) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030030 k( 234) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030030 k( 235) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030030 k( 236) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030030 k( 237) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030030 k( 238) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030030 k( 239) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030030 k( 240) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030030 k( 241) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030030 k( 242) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030030 k( 243) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030030 k( 244) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030030 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 247) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0030030 k( 248) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0030030 k( 249) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0030030 k( 250) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0030030 k( 251) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0030030 k( 252) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0030030 k( 253) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0030030 k( 254) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0030030 k( 255) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0030030 k( 256) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0030030 k( 257) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0030030 k( 258) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0030030 k( 259) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0030030 k( 260) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0030030 k( 261) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0030030 k( 262) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0030030 k( 263) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0030030 k( 264) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0030030 k( 265) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0030030 k( 266) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0030030 k( 267) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0030030 k( 268) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0030030 k( 269) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0030030 k( 270) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0030030 k( 271) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0030030 k( 272) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0030030 k( 273) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0030030 k( 274) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0030030 k( 275) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0030030 k( 276) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0030030 k( 277) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0030030 k( 278) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0030030 k( 279) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0030030 k( 280) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0030030 k( 281) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0030030 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 284) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030030 k( 285) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030030 k( 286) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030030 k( 287) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030030 k( 288) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030030 k( 289) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030030 k( 290) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030030 k( 291) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030030 k( 292) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030030 k( 293) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030030 k( 294) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030030 k( 295) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030030 k( 296) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030030 k( 297) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030030 k( 298) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030030 k( 299) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030030 k( 300) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030030 k( 301) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030030 k( 302) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030030 k( 303) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030030 k( 304) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030030 k( 305) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030030 k( 306) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030030 k( 307) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030030 k( 308) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0030030 k( 309) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030030 k( 310) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030030 k( 311) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030030 k( 312) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030030 k( 313) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030030 k( 314) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 315) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 316) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030030 k( 317) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030030 k( 318) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030030 k( 319) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030030 k( 320) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030030 k( 321) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030030 k( 322) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030030 k( 323) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030030 k( 324) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030030 k( 325) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030030 k( 326) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030030 k( 327) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030030 k( 328) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030030 k( 329) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030030 k( 330) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030030 k( 331) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030030 k( 332) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030030 k( 333) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030030 Dense grid: 118981 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 19195 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 142, 44) NL pseudopotentials 0.15 Mb ( 71, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3305) G-vector shells 0.01 Mb ( 707) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 142, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./AlVNi2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 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 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 11.8 secs Computing kpt #: 14 total cpu time spent up to now is 12.4 secs Computing kpt #: 15 total cpu time spent up to now is 12.8 secs Computing kpt #: 16 total cpu time spent up to now is 13.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.4 secs Computing kpt #: 19 total cpu time spent up to now is 15.0 secs Computing kpt #: 20 total cpu time spent up to now is 15.5 secs Computing kpt #: 21 total cpu time spent up to now is 16.0 secs Computing kpt #: 22 total cpu time spent up to now is 16.6 secs Computing kpt #: 23 total cpu time spent up to now is 17.1 secs Computing kpt #: 24 total cpu time spent up to now is 17.7 secs Computing kpt #: 25 total cpu time spent up to now is 18.2 secs Computing kpt #: 26 total cpu time spent up to now is 18.8 secs Computing kpt #: 27 total cpu time spent up to now is 19.3 secs Computing kpt #: 28 total cpu time spent up to now is 19.8 secs Computing kpt #: 29 total cpu time spent up to now is 20.3 secs Computing kpt #: 30 total cpu time spent up to now is 20.9 secs Computing kpt #: 31 total cpu time spent up to now is 21.4 secs Computing kpt #: 32 total cpu time spent up to now is 21.9 secs Computing kpt #: 33 total cpu time spent up to now is 22.5 secs Computing kpt #: 34 total cpu time spent up to now is 22.9 secs Computing kpt #: 35 total cpu time spent up to now is 23.4 secs Computing kpt #: 36 total cpu time spent up to now is 23.9 secs Computing kpt #: 37 total cpu time spent up to now is 24.4 secs Computing kpt #: 38 total cpu time spent up to now is 24.9 secs Computing kpt #: 39 total cpu time spent up to now is 25.3 secs Computing kpt #: 40 total cpu time spent up to now is 25.7 secs Computing kpt #: 41 total cpu time spent up to now is 26.0 secs Computing kpt #: 42 total cpu time spent up to now is 26.4 secs Computing kpt #: 43 total cpu time spent up to now is 26.7 secs Computing kpt #: 44 total cpu time spent up to now is 27.1 secs Computing kpt #: 45 total cpu time spent up to now is 27.4 secs Computing kpt #: 46 total cpu time spent up to now is 27.8 secs Computing kpt #: 47 total cpu time spent up to now is 28.1 secs Computing kpt #: 48 total cpu time spent up to now is 28.4 secs Computing kpt #: 49 total cpu time spent up to now is 28.8 secs Computing kpt #: 50 total cpu time spent up to now is 29.1 secs Computing kpt #: 51 total cpu time spent up to now is 29.5 secs Computing kpt #: 52 total cpu time spent up to now is 29.8 secs Computing kpt #: 53 total cpu time spent up to now is 30.1 secs Computing kpt #: 54 total cpu time spent up to now is 30.4 secs Computing kpt #: 55 total cpu time spent up to now is 30.8 secs Computing kpt #: 56 total cpu time spent up to now is 31.1 secs Computing kpt #: 57 total cpu time spent up to now is 31.5 secs Computing kpt #: 58 total cpu time spent up to now is 31.8 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 32.5 secs Computing kpt #: 61 total cpu time spent up to now is 32.8 secs Computing kpt #: 62 total cpu time spent up to now is 33.2 secs Computing kpt #: 63 total cpu time spent up to now is 33.5 secs Computing kpt #: 64 total cpu time spent up to now is 33.9 secs Computing kpt #: 65 total cpu time spent up to now is 34.2 secs Computing kpt #: 66 total cpu time spent up to now is 34.6 secs Computing kpt #: 67 total cpu time spent up to now is 35.0 secs Computing kpt #: 68 total cpu time spent up to now is 35.5 secs Computing kpt #: 69 total cpu time spent up to now is 35.9 secs Computing kpt #: 70 total cpu time spent up to now is 36.3 secs Computing kpt #: 71 total cpu time spent up to now is 36.7 secs Computing kpt #: 72 total cpu time spent up to now is 37.2 secs Computing kpt #: 73 total cpu time spent up to now is 37.6 secs Computing kpt #: 74 total cpu time spent up to now is 38.1 secs Computing kpt #: 75 total cpu time spent up to now is 38.5 secs Computing kpt #: 76 total cpu time spent up to now is 39.0 secs Computing kpt #: 77 total cpu time spent up to now is 39.5 secs Computing kpt #: 78 total cpu time spent up to now is 40.0 secs Computing kpt #: 79 total cpu time spent up to now is 40.5 secs Computing kpt #: 80 total cpu time spent up to now is 41.0 secs Computing kpt #: 81 total cpu time spent up to now is 41.4 secs Computing kpt #: 82 total cpu time spent up to now is 41.8 secs Computing kpt #: 83 total cpu time spent up to now is 42.2 secs Computing kpt #: 84 total cpu time spent up to now is 42.7 secs Computing kpt #: 85 total cpu time spent up to now is 43.1 secs Computing kpt #: 86 total cpu time spent up to now is 43.5 secs Computing kpt #: 87 total cpu time spent up to now is 43.9 secs Computing kpt #: 88 total cpu time spent up to now is 44.4 secs Computing kpt #: 89 total cpu time spent up to now is 44.8 secs Computing kpt #: 90 total cpu time spent up to now is 45.2 secs Computing kpt #: 91 total cpu time spent up to now is 45.6 secs Computing kpt #: 92 total cpu time spent up to now is 46.1 secs Computing kpt #: 93 total cpu time spent up to now is 46.5 secs Computing kpt #: 94 total cpu time spent up to now is 46.9 secs Computing kpt #: 95 total cpu time spent up to now is 47.3 secs Computing kpt #: 96 total cpu time spent up to now is 47.7 secs Computing kpt #: 97 total cpu time spent up to now is 48.1 secs Computing kpt #: 98 total cpu time spent up to now is 48.4 secs Computing kpt #: 99 total cpu time spent up to now is 48.8 secs Computing kpt #: 100 total cpu time spent up to now is 49.2 secs Computing kpt #: 101 total cpu time spent up to now is 49.5 secs Computing kpt #: 102 total cpu time spent up to now is 49.9 secs Computing kpt #: 103 total cpu time spent up to now is 50.2 secs Computing kpt #: 104 total cpu time spent up to now is 50.5 secs Computing kpt #: 105 total cpu time spent up to now is 50.9 secs Computing kpt #: 106 total cpu time spent up to now is 51.2 secs Computing kpt #: 107 total cpu time spent up to now is 51.5 secs Computing kpt #: 108 total cpu time spent up to now is 51.9 secs Computing kpt #: 109 total cpu time spent up to now is 52.2 secs Computing kpt #: 110 total cpu time spent up to now is 52.5 secs Computing kpt #: 111 total cpu time spent up to now is 52.8 secs Computing kpt #: 112 total cpu time spent up to now is 53.1 secs Computing kpt #: 113 total cpu time spent up to now is 53.4 secs Computing kpt #: 114 total cpu time spent up to now is 53.8 secs Computing kpt #: 115 total cpu time spent up to now is 54.1 secs Computing kpt #: 116 total cpu time spent up to now is 54.4 secs Computing kpt #: 117 total cpu time spent up to now is 54.7 secs Computing kpt #: 118 total cpu time spent up to now is 55.1 secs Computing kpt #: 119 total cpu time spent up to now is 55.4 secs Computing kpt #: 120 total cpu time spent up to now is 55.7 secs Computing kpt #: 121 total cpu time spent up to now is 56.0 secs Computing kpt #: 122 total cpu time spent up to now is 56.4 secs Computing kpt #: 123 total cpu time spent up to now is 56.7 secs Computing kpt #: 124 total cpu time spent up to now is 57.0 secs Computing kpt #: 125 total cpu time spent up to now is 57.3 secs Computing kpt #: 126 total cpu time spent up to now is 57.7 secs Computing kpt #: 127 total cpu time spent up to now is 58.0 secs Computing kpt #: 128 total cpu time spent up to now is 58.3 secs Computing kpt #: 129 total cpu time spent up to now is 58.6 secs Computing kpt #: 130 total cpu time spent up to now is 59.0 secs Computing kpt #: 131 total cpu time spent up to now is 59.3 secs Computing kpt #: 132 total cpu time spent up to now is 59.6 secs Computing kpt #: 133 total cpu time spent up to now is 59.9 secs Computing kpt #: 134 total cpu time spent up to now is 60.3 secs Computing kpt #: 135 total cpu time spent up to now is 60.6 secs Computing kpt #: 136 total cpu time spent up to now is 60.9 secs Computing kpt #: 137 total cpu time spent up to now is 61.3 secs Computing kpt #: 138 total cpu time spent up to now is 61.6 secs Computing kpt #: 139 total cpu time spent up to now is 62.0 secs Computing kpt #: 140 total cpu time spent up to now is 62.4 secs Computing kpt #: 141 total cpu time spent up to now is 62.8 secs Computing kpt #: 142 total cpu time spent up to now is 63.1 secs Computing kpt #: 143 total cpu time spent up to now is 63.5 secs Computing kpt #: 144 total cpu time spent up to now is 63.9 secs Computing kpt #: 145 total cpu time spent up to now is 64.3 secs Computing kpt #: 146 total cpu time spent up to now is 64.8 secs Computing kpt #: 147 total cpu time spent up to now is 65.3 secs Computing kpt #: 148 total cpu time spent up to now is 65.9 secs Computing kpt #: 149 total cpu time spent up to now is 66.5 secs Computing kpt #: 150 total cpu time spent up to now is 67.0 secs Computing kpt #: 151 total cpu time spent up to now is 67.5 secs Computing kpt #: 152 total cpu time spent up to now is 68.2 secs Computing kpt #: 153 total cpu time spent up to now is 68.9 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.1 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.2 secs Computing kpt #: 156 total cpu time spent up to now is 72.3 secs Computing kpt #: 157 total cpu time spent up to now is 73.2 secs Computing kpt #: 158 total cpu time spent up to now is 74.1 secs Computing kpt #: 159 total cpu time spent up to now is 75.1 secs Computing kpt #: 160 total cpu time spent up to now is 75.9 secs Computing kpt #: 161 total cpu time spent up to now is 76.5 secs Computing kpt #: 162 total cpu time spent up to now is 77.6 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.7 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.8 secs Computing kpt #: 165 total cpu time spent up to now is 80.8 secs Computing kpt #: 166 total cpu time spent up to now is 81.3 secs Computing kpt #: 167 total cpu time spent up to now is 82.0 secs Computing kpt #: 168 total cpu time spent up to now is 82.7 secs Computing kpt #: 169 total cpu time spent up to now is 83.3 secs Computing kpt #: 170 total cpu time spent up to now is 83.8 secs Computing kpt #: 171 total cpu time spent up to now is 84.4 secs Computing kpt #: 172 total cpu time spent up to now is 84.9 secs Computing kpt #: 173 total cpu time spent up to now is 85.4 secs Computing kpt #: 174 total cpu time spent up to now is 85.9 secs Computing kpt #: 175 total cpu time spent up to now is 86.4 secs Computing kpt #: 176 total cpu time spent up to now is 86.8 secs Computing kpt #: 177 total cpu time spent up to now is 87.2 secs Computing kpt #: 178 total cpu time spent up to now is 87.6 secs Computing kpt #: 179 total cpu time spent up to now is 88.0 secs Computing kpt #: 180 total cpu time spent up to now is 88.4 secs Computing kpt #: 181 total cpu time spent up to now is 88.7 secs Computing kpt #: 182 total cpu time spent up to now is 89.1 secs Computing kpt #: 183 total cpu time spent up to now is 89.5 secs Computing kpt #: 184 total cpu time spent up to now is 89.9 secs Computing kpt #: 185 total cpu time spent up to now is 90.2 secs Computing kpt #: 186 total cpu time spent up to now is 90.6 secs Computing kpt #: 187 total cpu time spent up to now is 91.0 secs Computing kpt #: 188 total cpu time spent up to now is 91.3 secs Computing kpt #: 189 total cpu time spent up to now is 91.7 secs Computing kpt #: 190 total cpu time spent up to now is 92.0 secs Computing kpt #: 191 total cpu time spent up to now is 92.4 secs Computing kpt #: 192 total cpu time spent up to now is 92.7 secs Computing kpt #: 193 total cpu time spent up to now is 93.1 secs Computing kpt #: 194 total cpu time spent up to now is 93.4 secs Computing kpt #: 195 total cpu time spent up to now is 93.7 secs Computing kpt #: 196 total cpu time spent up to now is 94.1 secs Computing kpt #: 197 total cpu time spent up to now is 94.5 secs Computing kpt #: 198 total cpu time spent up to now is 94.9 secs Computing kpt #: 199 total cpu time spent up to now is 95.3 secs Computing kpt #: 200 total cpu time spent up to now is 95.7 secs Computing kpt #: 201 total cpu time spent up to now is 96.0 secs Computing kpt #: 202 total cpu time spent up to now is 96.8 secs Computing kpt #: 203 total cpu time spent up to now is 97.2 secs Computing kpt #: 204 total cpu time spent up to now is 97.6 secs Computing kpt #: 205 total cpu time spent up to now is 98.0 secs Computing kpt #: 206 total cpu time spent up to now is 98.3 secs Computing kpt #: 207 total cpu time spent up to now is 98.7 secs Computing kpt #: 208 total cpu time spent up to now is 99.1 secs Computing kpt #: 209 total cpu time spent up to now is 99.5 secs Computing kpt #: 210 total cpu time spent up to now is 99.8 secs Computing kpt #: 211 total cpu time spent up to now is 100.2 secs Computing kpt #: 212 total cpu time spent up to now is 100.6 secs Computing kpt #: 213 total cpu time spent up to now is 101.0 secs Computing kpt #: 214 total cpu time spent up to now is 101.4 secs Computing kpt #: 215 total cpu time spent up to now is 101.7 secs Computing kpt #: 216 total cpu time spent up to now is 102.1 secs Computing kpt #: 217 total cpu time spent up to now is 102.5 secs Computing kpt #: 218 total cpu time spent up to now is 102.8 secs Computing kpt #: 219 total cpu time spent up to now is 103.2 secs Computing kpt #: 220 total cpu time spent up to now is 103.5 secs Computing kpt #: 221 total cpu time spent up to now is 103.9 secs Computing kpt #: 222 total cpu time spent up to now is 104.3 secs Computing kpt #: 223 total cpu time spent up to now is 104.6 secs Computing kpt #: 224 total cpu time spent up to now is 105.0 secs Computing kpt #: 225 total cpu time spent up to now is 105.4 secs Computing kpt #: 226 total cpu time spent up to now is 105.8 secs Computing kpt #: 227 total cpu time spent up to now is 106.2 secs Computing kpt #: 228 total cpu time spent up to now is 106.6 secs Computing kpt #: 229 total cpu time spent up to now is 107.0 secs Computing kpt #: 230 total cpu time spent up to now is 107.4 secs Computing kpt #: 231 total cpu time spent up to now is 107.8 secs Computing kpt #: 232 total cpu time spent up to now is 108.3 secs Computing kpt #: 233 total cpu time spent up to now is 108.7 secs Computing kpt #: 234 total cpu time spent up to now is 109.1 secs Computing kpt #: 235 total cpu time spent up to now is 109.6 secs Computing kpt #: 236 total cpu time spent up to now is 110.0 secs Computing kpt #: 237 total cpu time spent up to now is 110.4 secs Computing kpt #: 238 total cpu time spent up to now is 110.8 secs Computing kpt #: 239 total cpu time spent up to now is 111.3 secs Computing kpt #: 240 total cpu time spent up to now is 111.7 secs Computing kpt #: 241 total cpu time spent up to now is 112.1 secs Computing kpt #: 242 total cpu time spent up to now is 112.6 secs Computing kpt #: 243 total cpu time spent up to now is 113.0 secs Computing kpt #: 244 total cpu time spent up to now is 113.5 secs Computing kpt #: 245 total cpu time spent up to now is 114.0 secs Computing kpt #: 246 total cpu time spent up to now is 114.3 secs Computing kpt #: 247 total cpu time spent up to now is 114.7 secs Computing kpt #: 248 total cpu time spent up to now is 115.2 secs Computing kpt #: 249 total cpu time spent up to now is 115.6 secs Computing kpt #: 250 total cpu time spent up to now is 116.1 secs Computing kpt #: 251 total cpu time spent up to now is 116.5 secs Computing kpt #: 252 total cpu time spent up to now is 116.9 secs Computing kpt #: 253 total cpu time spent up to now is 117.3 secs Computing kpt #: 254 total cpu time spent up to now is 117.7 secs Computing kpt #: 255 total cpu time spent up to now is 118.1 secs Computing kpt #: 256 total cpu time spent up to now is 118.5 secs Computing kpt #: 257 total cpu time spent up to now is 118.9 secs Computing kpt #: 258 total cpu time spent up to now is 119.3 secs Computing kpt #: 259 total cpu time spent up to now is 119.6 secs Computing kpt #: 260 total cpu time spent up to now is 120.1 secs Computing kpt #: 261 total cpu time spent up to now is 120.5 secs Computing kpt #: 262 total cpu time spent up to now is 120.8 secs Computing kpt #: 263 total cpu time spent up to now is 121.2 secs Computing kpt #: 264 total cpu time spent up to now is 121.7 secs Computing kpt #: 265 total cpu time spent up to now is 122.2 secs Computing kpt #: 266 total cpu time spent up to now is 122.7 secs Computing kpt #: 267 total cpu time spent up to now is 123.3 secs Computing kpt #: 268 total cpu time spent up to now is 123.8 secs Computing kpt #: 269 total cpu time spent up to now is 124.4 secs Computing kpt #: 270 total cpu time spent up to now is 125.0 secs Computing kpt #: 271 total cpu time spent up to now is 125.6 secs Computing kpt #: 272 total cpu time spent up to now is 126.1 secs Computing kpt #: 273 total cpu time spent up to now is 126.5 secs Computing kpt #: 274 total cpu time spent up to now is 127.0 secs Computing kpt #: 275 total cpu time spent up to now is 127.4 secs Computing kpt #: 276 total cpu time spent up to now is 127.8 secs Computing kpt #: 277 total cpu time spent up to now is 128.2 secs Computing kpt #: 278 total cpu time spent up to now is 128.6 secs Computing kpt #: 279 total cpu time spent up to now is 129.0 secs Computing kpt #: 280 total cpu time spent up to now is 129.4 secs Computing kpt #: 281 total cpu time spent up to now is 129.7 secs Computing kpt #: 282 total cpu time spent up to now is 130.1 secs Computing kpt #: 283 total cpu time spent up to now is 130.4 secs Computing kpt #: 284 total cpu time spent up to now is 130.8 secs Computing kpt #: 285 total cpu time spent up to now is 131.2 secs Computing kpt #: 286 total cpu time spent up to now is 131.6 secs Computing kpt #: 287 total cpu time spent up to now is 132.0 secs Computing kpt #: 288 total cpu time spent up to now is 132.4 secs Computing kpt #: 289 total cpu time spent up to now is 132.7 secs Computing kpt #: 290 total cpu time spent up to now is 133.1 secs Computing kpt #: 291 total cpu time spent up to now is 133.4 secs Computing kpt #: 292 total cpu time spent up to now is 133.8 secs Computing kpt #: 293 total cpu time spent up to now is 134.1 secs Computing kpt #: 294 total cpu time spent up to now is 134.4 secs Computing kpt #: 295 total cpu time spent up to now is 134.9 secs Computing kpt #: 296 total cpu time spent up to now is 135.2 secs Computing kpt #: 297 total cpu time spent up to now is 135.6 secs Computing kpt #: 298 total cpu time spent up to now is 136.0 secs Computing kpt #: 299 total cpu time spent up to now is 136.4 secs Computing kpt #: 300 total cpu time spent up to now is 136.8 secs Computing kpt #: 301 total cpu time spent up to now is 137.2 secs Computing kpt #: 302 total cpu time spent up to now is 137.5 secs Computing kpt #: 303 total cpu time spent up to now is 137.9 secs Computing kpt #: 304 total cpu time spent up to now is 138.2 secs Computing kpt #: 305 total cpu time spent up to now is 138.6 secs Computing kpt #: 306 total cpu time spent up to now is 138.9 secs Computing kpt #: 307 total cpu time spent up to now is 139.3 secs Computing kpt #: 308 total cpu time spent up to now is 139.6 secs Computing kpt #: 309 total cpu time spent up to now is 140.0 secs Computing kpt #: 310 total cpu time spent up to now is 140.3 secs Computing kpt #: 311 total cpu time spent up to now is 140.7 secs Computing kpt #: 312 total cpu time spent up to now is 141.1 secs Computing kpt #: 313 total cpu time spent up to now is 141.5 secs Computing kpt #: 314 total cpu time spent up to now is 141.8 secs Computing kpt #: 315 total cpu time spent up to now is 142.2 secs Computing kpt #: 316 total cpu time spent up to now is 142.7 secs Computing kpt #: 317 total cpu time spent up to now is 143.1 secs Computing kpt #: 318 total cpu time spent up to now is 143.5 secs Computing kpt #: 319 total cpu time spent up to now is 144.0 secs Computing kpt #: 320 total cpu time spent up to now is 144.4 secs Computing kpt #: 321 total cpu time spent up to now is 144.7 secs Computing kpt #: 322 total cpu time spent up to now is 145.1 secs Computing kpt #: 323 total cpu time spent up to now is 145.4 secs Computing kpt #: 324 total cpu time spent up to now is 145.7 secs Computing kpt #: 325 total cpu time spent up to now is 146.1 secs Computing kpt #: 326 total cpu time spent up to now is 146.4 secs Computing kpt #: 327 total cpu time spent up to now is 146.8 secs Computing kpt #: 328 total cpu time spent up to now is 147.1 secs Computing kpt #: 329 total cpu time spent up to now is 147.5 secs Computing kpt #: 330 total cpu time spent up to now is 147.8 secs Computing kpt #: 331 total cpu time spent up to now is 148.2 secs Computing kpt #: 332 total cpu time spent up to now is 148.5 secs Computing kpt #: 333 total cpu time spent up to now is 148.8 secs ethr = 2.78E-08, avg # of iterations = 26.9 total cpu time spent up to now is 148.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4311 1.4311 7.1589 7.1589 7.1589 7.1589 7.1899 7.1899 7.1899 7.1899 7.2452 7.2452 8.1618 8.1618 8.1618 8.1618 8.2312 8.2312 8.9567 8.9567 8.9567 8.9567 9.0378 9.0378 9.0378 9.0378 9.0931 9.0931 10.1893 10.1893 10.1893 10.1893 13.5516 13.5516 13.5516 13.5540 k = 0.0100-0.0058 0.0082 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4326 1.4326 7.1520 7.1520 7.1593 7.1593 7.1904 7.1904 7.1943 7.1943 7.2471 7.2471 8.1613 8.1613 8.1620 8.1620 8.2310 8.2310 8.9464 8.9464 8.9567 8.9567 9.0369 9.0369 9.0442 9.0442 9.0952 9.0952 10.1888 10.1888 10.1889 10.1889 13.5359 13.5359 13.5475 13.5476 k = 0.0200-0.0115 0.0163 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4372 1.4372 7.1370 7.1370 7.1606 7.1606 7.1919 7.1919 7.2020 7.2020 7.2524 7.2524 8.1597 8.1597 8.1625 8.1625 8.2302 8.2302 8.9227 8.9227 8.9566 8.9566 9.0342 9.0342 9.0539 9.0539 9.1035 9.1035 10.1874 10.1874 10.1877 10.1877 13.4914 13.4914 13.5351 13.5357 k = 0.0300-0.0173 0.0245 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4450 1.4450 7.1186 7.1186 7.1628 7.1628 7.1944 7.1944 7.2092 7.2092 7.2606 7.2606 8.1569 8.1569 8.1634 8.1634 8.2292 8.2292 8.8937 8.8937 8.9564 8.9564 9.0297 9.0297 9.0571 9.0571 9.1201 9.1201 10.1849 10.1849 10.1857 10.1857 13.4284 13.4284 13.5141 13.5143 k = 0.0400-0.0231 0.0327 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4557 1.4557 7.0978 7.0978 7.1658 7.1658 7.1979 7.1979 7.2155 7.2155 7.2707 7.2707 8.1525 8.1525 8.1647 8.1647 8.2280 8.2280 8.8626 8.8626 8.9562 8.9562 9.0234 9.0234 9.0541 9.0541 9.1415 9.1415 10.1815 10.1815 10.1829 10.1829 13.3553 13.3553 13.4848 13.4848 k = 0.0500-0.0289 0.0408 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4696 1.4696 7.0751 7.0751 7.1698 7.1698 7.2024 7.2024 7.2215 7.2215 7.2818 7.2818 8.1459 8.1459 8.1664 8.1664 8.2270 8.2270 8.8308 8.8308 8.9559 8.9559 9.0154 9.0154 9.0475 9.0475 9.1644 9.1644 10.1772 10.1772 10.1792 10.1792 13.2773 13.2773 13.4471 13.4472 k = 0.0600-0.0346 0.0490 ( 2417 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.4865 1.4865 7.0506 7.0506 7.1745 7.1745 7.2079 7.2079 7.2276 7.2276 7.2934 7.2934 8.1368 8.1368 8.1684 8.1684 8.2263 8.2263 8.7994 8.7994 8.9555 8.9555 9.0059 9.0059 9.0383 9.0383 9.1871 9.1871 10.1719 10.1719 10.1748 10.1748 13.1974 13.1974 13.4014 13.4014 k = 0.0700-0.0404 0.0572 ( 2405 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.5065 1.5065 7.0245 7.0245 7.1803 7.1803 7.2143 7.2143 7.2343 7.2343 7.3051 7.3051 8.1246 8.1246 8.1708 8.1708 8.2262 8.2262 8.7687 8.7687 8.9550 8.9550 8.9948 8.9948 9.0271 9.0271 9.2090 9.2090 10.1656 10.1656 10.1697 10.1697 13.1175 13.1175 13.3479 13.3479 k = 0.0800-0.0462 0.0653 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.5295 1.5295 6.9967 6.9967 7.1868 7.1868 7.2217 7.2217 7.2415 7.2415 7.3168 7.3168 8.1089 8.1089 8.1736 8.1736 8.2269 8.2269 8.7394 8.7394 8.9542 8.9542 8.9826 8.9826 9.0141 9.0141 9.2296 9.2296 10.1584 10.1584 10.1637 10.1637 13.0384 13.0384 13.2871 13.2871 k = 0.0900-0.0520 0.0735 ( 2389 PWs) bands (ev): -55.1747 -55.1747 -29.5202 -29.5202 -28.6863 -28.6863 -28.6863 -28.6863 1.5555 1.5555 6.9673 6.9673 7.1943 7.1943 7.2301 7.2301 7.2494 7.2494 7.3282 7.3282 8.0895 8.0895 8.1768 8.1768 8.2285 8.2285 8.7120 8.7120 8.9525 8.9525 8.9698 8.9698 8.9996 8.9996 9.2489 9.2489 10.1502 10.1502 10.1570 10.1570 12.9606 12.9606 13.2197 13.2197 k = 0.1000-0.0577 0.0816 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6864 -28.6864 -28.6863 -28.6863 1.5845 1.5845 6.9363 6.9363 7.2024 7.2024 7.2393 7.2393 7.2579 7.2579 7.3395 7.3395 8.0660 8.0660 8.1803 8.1803 8.2307 8.2307 8.6868 8.6868 8.9465 8.9465 8.9599 8.9599 8.9835 8.9835 9.2666 9.2666 10.1410 10.1410 10.1495 10.1495 12.8844 12.8844 13.1463 13.1464 k = 0.1100-0.0635 0.0898 ( 2389 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6864 -28.6864 -28.6863 -28.6863 1.6166 1.6166 6.9038 6.9038 7.2114 7.2114 7.2495 7.2495 7.2673 7.2673 7.3505 7.3505 8.0387 8.0387 8.1841 8.1841 8.2336 8.2336 8.6643 8.6643 8.9329 8.9329 8.9566 8.9566 8.9662 8.9662 9.2830 9.2830 10.1309 10.1309 10.1413 10.1413 12.8097 12.8097 13.0679 13.0679 k = 0.1200-0.0693 0.0980 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6865 -28.6865 -28.6863 -28.6863 1.6516 1.6516 6.8698 6.8698 7.2211 7.2211 7.2605 7.2605 7.2772 7.2772 7.3611 7.3611 8.0074 8.0074 8.1883 8.1883 8.2372 8.2372 8.6445 8.6445 8.9160 8.9160 8.9476 8.9476 8.9553 8.9553 9.2980 9.2980 10.1198 10.1198 10.1323 10.1323 12.7365 12.7365 12.9851 12.9851 k = 0.1300-0.0751 0.1061 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6865 -28.6865 -28.6863 -28.6863 1.6896 1.6896 6.8344 6.8344 7.2316 7.2316 7.2724 7.2724 7.2880 7.2880 7.3715 7.3715 7.9725 7.9725 8.1929 8.1929 8.2413 8.2413 8.6275 8.6275 8.8976 8.8976 8.9279 8.9279 8.9544 8.9544 9.3116 9.3116 10.1077 10.1077 10.1227 10.1227 12.6645 12.6645 12.8986 12.8986 k = 0.1400-0.0808 0.1143 ( 2409 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6865 -28.6865 -28.6863 -28.6863 1.7305 1.7305 6.7975 6.7975 7.2428 7.2428 7.2849 7.2849 7.2995 7.2995 7.3815 7.3815 7.9343 7.9343 8.1978 8.1978 8.2461 8.2461 8.6131 8.6131 8.8782 8.8782 8.9073 8.9073 8.9537 8.9537 9.3239 9.3239 10.0948 10.0948 10.1123 10.1123 12.5933 12.5933 12.8092 12.8094 k = 0.1500-0.0866 0.1225 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6866 -28.6866 -28.6864 -28.6864 1.7743 1.7743 6.7595 6.7595 7.2548 7.2548 7.2985 7.2985 7.3117 7.3117 7.3912 7.3912 7.8932 7.8932 8.2031 8.2031 8.2515 8.2515 8.6014 8.6014 8.8582 8.8582 8.8861 8.8861 8.9531 8.9531 9.3350 9.3350 10.0809 10.0809 10.1013 10.1013 12.5226 12.5226 12.7173 12.7173 k = 0.1600-0.0924 0.1306 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6866 -28.6866 -28.6864 -28.6864 1.8210 1.8210 6.7202 6.7202 7.2675 7.2675 7.3127 7.3127 7.3246 7.3246 7.4003 7.4003 7.8496 7.8496 8.2085 8.2085 8.2572 8.2572 8.5919 8.5919 8.8374 8.8374 8.8639 8.8639 8.9524 8.9524 9.3447 9.3447 10.0659 10.0659 10.0896 10.0896 12.4518 12.4518 12.6236 12.6236 k = 0.1700-0.0981 0.1388 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6867 -28.6867 -28.6864 -28.6864 1.8705 1.8705 6.6799 6.6799 7.2809 7.2809 7.3277 7.3277 7.3382 7.3382 7.4089 7.4089 7.8040 7.8040 8.2144 8.2144 8.2635 8.2635 8.5845 8.5845 8.8162 8.8162 8.8413 8.8413 8.9517 8.9517 9.3533 9.3533 10.0500 10.0500 10.0773 10.0773 12.3802 12.3802 12.5285 12.5285 k = 0.1800-0.1039 0.1470 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6867 -28.6867 -28.6864 -28.6864 1.9229 1.9229 6.6385 6.6385 7.2948 7.2948 7.3433 7.3433 7.3523 7.3523 7.4169 7.4169 7.7569 7.7569 8.2206 8.2206 8.2703 8.2703 8.5790 8.5790 8.7947 8.7947 8.8182 8.8182 8.9511 8.9511 9.3607 9.3607 10.0330 10.0330 10.0644 10.0644 12.3073 12.3073 12.4324 12.4324 k = 0.1900-0.1097 0.1551 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6868 -28.6868 -28.6865 -28.6865 1.9780 1.9780 6.5961 6.5961 7.3090 7.3090 7.3597 7.3597 7.3668 7.3668 7.4243 7.4243 7.7087 7.7087 8.2271 8.2271 8.2776 8.2776 8.5750 8.5750 8.7731 8.7731 8.7949 8.7949 8.9502 8.9502 9.3671 9.3671 10.0149 10.0149 10.0509 10.0509 12.2324 12.2324 12.3358 12.3358 k = 0.2000-0.1155 0.1633 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6869 -28.6869 -28.6865 -28.6865 2.0359 2.0359 6.5529 6.5529 7.3238 7.3238 7.3764 7.3764 7.3818 7.3818 7.4310 7.4310 7.6599 7.6599 8.2335 8.2335 8.2850 8.2850 8.5723 8.5723 8.7514 8.7514 8.7714 8.7714 8.9495 8.9495 9.3724 9.3724 9.9957 9.9957 10.0368 10.0368 12.1549 12.1549 12.2389 12.2389 k = 0.2100-0.1212 0.1715 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6869 -28.6869 -28.6865 -28.6865 2.0964 2.0964 6.5091 6.5091 7.3387 7.3387 7.3937 7.3937 7.3970 7.3970 7.4373 7.4373 7.6111 7.6111 8.2403 8.2403 8.2930 8.2930 8.5709 8.5709 8.7299 8.7299 8.7479 8.7479 8.9488 8.9488 9.3769 9.3769 9.9755 9.9755 10.0223 10.0223 12.0743 12.0743 12.1420 12.1420 k = 0.2200-0.1270 0.1796 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6870 -28.6870 -28.6865 -28.6865 2.1596 2.1596 6.4645 6.4645 7.3532 7.3532 7.4114 7.4114 7.4114 7.4114 7.4434 7.4434 7.5632 7.5632 8.2471 8.2471 8.3010 8.3010 8.5705 8.5705 8.7087 8.7087 8.7246 8.7246 8.9482 8.9482 9.3804 9.3804 9.9539 9.9539 10.0073 10.0073 11.9903 11.9903 12.0454 12.0454 k = 0.2300-0.1328 0.1878 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6870 -28.6870 -28.6866 -28.6866 2.2253 2.2253 6.4194 6.4194 7.3661 7.3661 7.4236 7.4236 7.4290 7.4290 7.4511 7.4511 7.5179 7.5179 8.2538 8.2538 8.3093 8.3093 8.5710 8.5710 8.6882 8.6882 8.7017 8.7017 8.9475 8.9475 9.3832 9.3832 9.9309 9.9309 9.9919 9.9919 11.9033 11.9033 11.9493 11.9493 k = 0.2400-0.1386 0.1960 ( 2417 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6871 -28.6871 -28.6866 -28.6866 2.2936 2.2936 6.3739 6.3739 7.3733 7.3733 7.4310 7.4310 7.4448 7.4448 7.4625 7.4625 7.4815 7.4815 8.2602 8.2602 8.3175 8.3175 8.5722 8.5722 8.6685 8.6685 8.6794 8.6794 8.9468 8.9468 9.3852 9.3852 9.9066 9.9066 9.9761 9.9761 11.8139 11.8139 11.8538 11.8538 k = 0.2500-0.1443 0.2041 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6872 -28.6872 -28.6866 -28.6866 2.3644 2.3644 6.3279 6.3279 7.3638 7.3638 7.4335 7.4335 7.4483 7.4483 7.4754 7.4754 7.4776 7.4776 8.2663 8.2663 8.3256 8.3256 8.5741 8.5741 8.6500 8.6500 8.6581 8.6581 8.9461 8.9461 9.3866 9.3866 9.8808 9.8808 9.9600 9.9600 11.7228 11.7228 11.7593 11.7593 k = 0.2600-0.1501 0.2123 ( 2417 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6872 -28.6872 -28.6866 -28.6866 2.4375 2.4375 6.2815 6.2815 7.3325 7.3325 7.4324 7.4324 7.4527 7.4527 7.4914 7.4914 7.4947 7.4947 8.2715 8.2715 8.3330 8.3330 8.5765 8.5765 8.6329 8.6329 8.6381 8.6381 8.9455 8.9455 9.3872 9.3872 9.8535 9.8535 9.9435 9.9435 11.6312 11.6312 11.6659 11.6659 k = 0.2700-0.1559 0.2205 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6873 -28.6873 -28.6867 -28.6867 2.5130 2.5130 6.2348 6.2348 7.2913 7.2913 7.4286 7.4286 7.4658 7.4658 7.5101 7.5101 7.5129 7.5129 8.2756 8.2756 8.3395 8.3395 8.5792 8.5792 8.6177 8.6177 8.6201 8.6201 8.9448 8.9448 9.3873 9.3873 9.8245 9.8245 9.9268 9.9268 11.5397 11.5397 11.5737 11.5737 k = 0.2800-0.1617 0.2286 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6873 -28.6873 -28.6867 -28.6867 2.5907 2.5907 6.1877 6.1877 7.2476 7.2476 7.4221 7.4221 7.4823 7.4823 7.5297 7.5297 7.5317 7.5317 8.2784 8.2784 8.3445 8.3445 8.5821 8.5821 8.6047 8.6047 8.6049 8.6049 8.9442 8.9442 9.3869 9.3869 9.7940 9.7940 9.9099 9.9099 11.4493 11.4493 11.4828 11.4828 k = 0.2900-0.1674 0.2368 ( 2417 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6874 -28.6874 -28.6867 -28.6867 2.6705 2.6705 6.1404 6.1404 7.2036 7.2036 7.4131 7.4131 7.5003 7.5003 7.5494 7.5494 7.5509 7.5509 8.2794 8.2794 8.3474 8.3474 8.5830 8.5830 8.5947 8.5947 8.5948 8.5948 8.9435 8.9435 9.3861 9.3861 9.7620 9.7620 9.8930 9.8930 11.3606 11.3606 11.3935 11.3935 k = 0.3000-0.1732 0.2449 ( 2409 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6875 -28.6875 -28.6867 -28.6867 2.7524 2.7524 6.0927 6.0927 7.1602 7.1602 7.4014 7.4014 7.5193 7.5193 7.5693 7.5693 7.5706 7.5706 8.2782 8.2782 8.3476 8.3476 8.5782 8.5782 8.5879 8.5879 8.5944 8.5944 8.9430 8.9430 9.3850 9.3850 9.7285 9.7285 9.8759 9.8759 11.2744 11.2744 11.3060 11.3060 k = 0.3100-0.1790 0.2531 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6875 -28.6875 -28.6868 -28.6868 2.8362 2.8362 6.0446 6.0446 7.1180 7.1180 7.3869 7.3869 7.5387 7.5387 7.5892 7.5892 7.5903 7.5903 8.2748 8.2748 8.3447 8.3447 8.5738 8.5738 8.5845 8.5845 8.5984 8.5984 8.9424 8.9424 9.3834 9.3834 9.6936 9.6936 9.8590 9.8590 11.1911 11.1911 11.2202 11.2202 k = 0.3200-0.1848 0.2613 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6876 -28.6876 -28.6868 -28.6868 2.9217 2.9217 5.9961 5.9961 7.0772 7.0772 7.3695 7.3695 7.5584 7.5584 7.6089 7.6089 7.6102 7.6102 8.2686 8.2686 8.3382 8.3382 8.5728 8.5728 8.5846 8.5846 8.6035 8.6035 8.9419 8.9419 9.3816 9.3816 9.6577 9.6577 9.8420 9.8420 11.1111 11.1111 11.1364 11.1364 k = 0.3300-0.1905 0.2694 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6876 -28.6876 -28.6868 -28.6868 3.0090 3.0090 5.9472 5.9472 7.0379 7.0379 7.3493 7.3493 7.5782 7.5782 7.6284 7.6284 7.6301 7.6301 8.2600 8.2600 8.3284 8.3284 8.5753 8.5753 8.5882 8.5882 8.6095 8.6095 8.9413 8.9413 9.3795 9.3795 9.6210 9.6210 9.8253 9.8253 11.0342 11.0343 11.0548 11.0549 k = 0.3400-0.1963 0.2776 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6877 -28.6877 -28.6868 -28.6868 3.0977 3.0977 5.8976 5.8976 7.0003 7.0003 7.3263 7.3263 7.5981 7.5981 7.6476 7.6476 7.6501 7.6501 8.2492 8.2492 8.3159 8.3159 8.5805 8.5805 8.5950 8.5950 8.6165 8.6165 8.9408 8.9408 9.3772 9.3772 9.5840 9.5840 9.8088 9.8088 10.9599 10.9599 10.9755 10.9755 k = 0.3500-0.2021 0.2858 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6877 -28.6877 -28.6869 -28.6869 3.1876 3.1876 5.8473 5.8473 6.9645 6.9645 7.3006 7.3006 7.6180 7.6180 7.6663 7.6663 7.6700 7.6700 8.2365 8.2365 8.3013 8.3013 8.5874 8.5874 8.6046 8.6046 8.6251 8.6251 8.9404 8.9404 9.3748 9.3748 9.5471 9.5471 9.7926 9.7926 10.8876 10.8876 10.8986 10.8986 k = 0.3600-0.2078 0.2939 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6878 -28.6878 -28.6869 -28.6869 3.2787 3.2787 5.7962 5.7962 6.9307 6.9307 7.2726 7.2726 7.6377 7.6377 7.6846 7.6846 7.6898 7.6898 8.2223 8.2223 8.2852 8.2852 8.5948 8.5948 8.6167 8.6167 8.6357 8.6357 8.9399 8.9399 9.3723 9.3723 9.5107 9.5107 9.7768 9.7768 10.8167 10.8167 10.8245 10.8245 k = 0.3700-0.2136 0.3021 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6878 -28.6878 -28.6869 -28.6869 3.3706 3.3706 5.7441 5.7441 6.8988 6.8988 7.2424 7.2424 7.6572 7.6572 7.7023 7.7023 7.7095 7.7095 8.2070 8.2070 8.2681 8.2681 8.6017 8.6017 8.6308 8.6308 8.6484 8.6484 8.9395 8.9395 9.3698 9.3698 9.4754 9.4754 9.7616 9.7616 10.7476 10.7476 10.7532 10.7532 k = 0.3800-0.2194 0.3103 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 3.4631 3.4631 5.6910 5.6910 6.8691 6.8691 7.2107 7.2107 7.6762 7.6762 7.7193 7.7193 7.7289 7.7289 8.1908 8.1908 8.2505 8.2505 8.6080 8.6080 8.6463 8.6463 8.6632 8.6632 8.9391 8.9391 9.3672 9.3672 9.4416 9.4416 9.7469 9.7469 10.6807 10.6808 10.6851 10.6852 k = 0.3900-0.2252 0.3184 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 3.5558 3.5558 5.6367 5.6367 6.8415 6.8415 7.1778 7.1778 7.6949 7.6949 7.7356 7.7356 7.7481 7.7481 8.1740 8.1740 8.2326 8.2326 8.6135 8.6135 8.6631 8.6631 8.6795 8.6795 8.9388 8.9388 9.3647 9.3647 9.4098 9.4098 9.7330 9.7330 10.6167 10.6167 10.6204 10.6205 k = 0.4000-0.2309 0.3266 ( 2401 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 3.6483 3.6483 5.5812 5.5812 6.8162 6.8162 7.1445 7.1445 7.7131 7.7131 7.7511 7.7511 7.7672 7.7672 8.1569 8.1569 8.2148 8.2148 8.6184 8.6184 8.6805 8.6805 8.6968 8.6968 8.9385 8.9385 9.3622 9.3622 9.3803 9.3803 9.7198 9.7198 10.5559 10.5559 10.5594 10.5594 k = 0.4100-0.2367 0.3348 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6880 -28.6880 -28.6870 -28.6870 3.7401 3.7401 5.5245 5.5245 6.7931 6.7931 7.1115 7.1115 7.7305 7.7305 7.7658 7.7658 7.7860 7.7860 8.1396 8.1396 8.1972 8.1972 8.6227 8.6227 8.6982 8.6982 8.7146 8.7146 8.9383 8.9383 9.3533 9.3533 9.3598 9.3598 9.7075 9.7075 10.4988 10.4988 10.5024 10.5024 k = 0.4200-0.2425 0.3429 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6870 -28.6870 3.8305 3.8305 5.4668 5.4668 6.7723 6.7723 7.0794 7.0794 7.7469 7.7469 7.7796 7.7796 7.8044 7.8044 8.1223 8.1223 8.1800 8.1800 8.6264 8.6264 8.7158 8.7158 8.7323 8.7323 8.9380 8.9380 9.3291 9.3291 9.3576 9.3576 9.6963 9.6963 10.4460 10.4460 10.4499 10.4499 k = 0.4300-0.2483 0.3511 ( 2410 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6880 -28.6880 -28.6870 -28.6870 3.9189 3.9189 5.4086 5.4086 6.7538 6.7538 7.0490 7.0490 7.7621 7.7621 7.7925 7.7925 7.8224 7.8224 8.1051 8.1051 8.1636 8.1636 8.6295 8.6295 8.7328 8.7328 8.7495 8.7495 8.9378 8.9378 9.3077 9.3077 9.3555 9.3555 9.6860 9.6860 10.3978 10.3978 10.4020 10.4020 k = 0.4400-0.2540 0.3593 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.0039 4.0039 5.3504 5.3504 6.7378 6.7378 7.0211 7.0211 7.7757 7.7757 7.8046 7.8046 7.8399 7.8399 8.0882 8.0882 8.1481 8.1481 8.6324 8.6324 8.7488 8.7488 8.7657 8.7657 8.9377 8.9377 9.2893 9.2893 9.3537 9.3537 9.6770 9.6770 10.3548 10.3548 10.3592 10.3592 k = 0.4500-0.2598 0.3674 ( 2406 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.0843 4.0843 5.2934 5.2934 6.7242 6.7242 6.9963 6.9963 7.7874 7.7874 7.8159 7.8159 7.8567 7.8567 8.0718 8.0718 8.1339 8.1339 8.6348 8.6348 8.7633 8.7633 8.7805 8.7805 8.9376 8.9376 9.2741 9.2741 9.3521 9.3521 9.6692 9.6692 10.3172 10.3172 10.3221 10.3221 k = 0.4600-0.2656 0.3756 ( 2414 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.1580 4.1580 5.2392 5.2392 6.7130 6.7130 6.9751 6.9751 7.7969 7.7969 7.8261 7.8261 7.8726 7.8726 8.0561 8.0561 8.1213 8.1213 8.6368 8.6368 8.7760 8.7760 8.7933 8.7933 8.9375 8.9375 9.2616 9.2616 9.3507 9.3507 9.6627 9.6627 10.2857 10.2857 10.2910 10.2910 k = 0.4700-0.2714 0.3838 ( 2414 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.2221 4.2221 5.1906 5.1906 6.7043 6.7043 6.9581 6.9581 7.8043 7.8043 7.8349 7.8349 7.8871 7.8871 8.0419 8.0419 8.1107 8.1107 8.6384 8.6384 8.7863 8.7863 8.8038 8.8038 8.9374 8.9374 9.2519 9.2519 9.3496 9.3496 9.6575 9.6575 10.2607 10.2607 10.2662 10.2662 k = 0.4800-0.2771 0.3919 ( 2422 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.2729 4.2729 5.1509 5.1509 6.6980 6.6980 6.9456 6.9456 7.8096 7.8096 7.8418 7.8418 7.8993 7.8993 8.0297 8.0297 8.1026 8.1026 8.6395 8.6395 8.7939 8.7939 8.8116 8.8116 8.9373 8.9373 9.2450 9.2450 9.3488 9.3488 9.6538 9.6538 10.2425 10.2425 10.2483 10.2483 k = 0.4900-0.2829 0.4001 ( 2426 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3061 4.3061 5.1245 5.1245 6.6943 6.6943 6.9381 6.9381 7.8127 7.8127 7.8462 7.8462 7.9078 7.9078 8.0213 8.0213 8.0976 8.0976 8.6401 8.6401 8.7986 8.7986 8.8164 8.8164 8.9373 8.9373 9.2407 9.2407 9.3483 9.3483 9.6516 9.6516 10.2314 10.2314 10.2374 10.2374 k = 0.5000-0.2887 0.4082 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3177 4.3177 5.1151 5.1151 6.6932 6.6932 6.9357 6.9357 7.8138 7.8138 7.8479 7.8479 7.9111 7.9111 8.0182 8.0182 8.0959 8.0959 8.6404 8.6404 8.8002 8.8002 8.8180 8.8180 8.9377 8.9377 9.2394 9.2394 9.3483 9.3483 9.6509 9.6509 10.2277 10.2277 10.2338 10.2338 k = 0.5000-0.2887 0.4082 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3177 4.3177 5.1151 5.1151 6.6932 6.6932 6.9357 6.9357 7.8138 7.8138 7.8479 7.8479 7.9111 7.9111 8.0182 8.0182 8.0959 8.0959 8.6404 8.6404 8.8002 8.8002 8.8180 8.8180 8.9377 8.9377 9.2394 9.2394 9.3483 9.3483 9.6509 9.6509 10.2277 10.2277 10.2338 10.2338 k = 0.5000-0.2771 0.4164 ( 2426 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3183 4.3183 5.1163 5.1163 6.6909 6.6909 6.9352 6.9352 7.8125 7.8125 7.8490 7.8490 7.9116 7.9116 8.0177 8.0177 8.0951 8.0951 8.6395 8.6395 8.7895 8.7895 8.8096 8.8096 8.9509 8.9509 9.2393 9.2393 9.3511 9.3511 9.6540 9.6540 10.2278 10.2278 10.2338 10.2338 k = 0.5000-0.2656 0.4246 ( 2426 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3201 4.3201 5.1199 5.1199 6.6846 6.6846 6.9341 6.9341 7.8093 7.8093 7.8525 7.8525 7.9134 7.9134 8.0162 8.0162 8.0931 8.0931 8.6369 8.6369 8.7567 8.7567 8.7977 8.7977 8.9796 8.9796 9.2392 9.2392 9.3599 9.3599 9.6632 9.6632 10.2278 10.2278 10.2342 10.2342 k = 0.5000-0.2540 0.4327 ( 2418 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3231 4.3231 5.1258 5.1258 6.6742 6.6742 6.9323 6.9323 7.8050 7.8050 7.8572 7.8572 7.9165 7.9165 8.0133 8.0133 8.0901 8.0901 8.6324 8.6324 8.7146 8.7146 8.7829 8.7829 9.0106 9.0106 9.2391 9.2391 9.3748 9.3748 9.6780 9.6780 10.2272 10.2272 10.2353 10.2353 k = 0.5000-0.2425 0.4409 ( 2414 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3272 4.3272 5.1340 5.1340 6.6597 6.6597 6.9298 6.9298 7.8003 7.8003 7.8625 7.8625 7.9208 7.9208 8.0084 8.0084 8.0868 8.0868 8.6245 8.6245 8.6712 8.6712 8.7646 8.7646 9.0393 9.0393 9.2389 9.2389 9.3956 9.3956 9.6973 9.6973 10.2259 10.2259 10.2374 10.2374 k = 0.5000-0.2309 0.4491 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3325 4.3325 5.1446 5.1446 6.6412 6.6412 6.9266 6.9266 7.7956 7.7956 7.8681 7.8681 7.9261 7.9261 8.0009 8.0009 8.0837 8.0837 8.6048 8.6048 8.6371 8.6371 8.7436 8.7436 9.0639 9.0639 9.2387 9.2387 9.4220 9.4220 9.7203 9.7203 10.2238 10.2238 10.2404 10.2404 k = 0.5000-0.2194 0.4572 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3388 4.3388 5.1575 5.1575 6.6190 6.6190 6.9226 6.9226 7.7910 7.7910 7.8738 7.8738 7.9324 7.9324 7.9902 7.9902 8.0813 8.0813 8.5656 8.5656 8.6213 8.6213 8.7210 8.7210 9.0842 9.0842 9.2384 9.2384 9.4532 9.4532 9.7459 9.7459 10.2211 10.2211 10.2441 10.2441 k = 0.5000-0.2078 0.4654 ( 2406 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3460 4.3460 5.1727 5.1727 6.5931 6.5931 6.9178 6.9178 7.7868 7.7868 7.8796 7.8796 7.9395 7.9395 7.9763 7.9763 8.0800 8.0800 8.5214 8.5214 8.6102 8.6102 8.6978 8.6978 9.1005 9.1005 9.2380 9.2380 9.4881 9.4881 9.7733 9.7733 10.2178 10.2178 10.2484 10.2484 k = 0.5000-0.1963 0.4736 ( 2406 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3542 4.3542 5.1902 5.1902 6.5638 6.5638 6.9123 6.9123 7.7831 7.7831 7.8853 7.8853 7.9471 7.9471 7.9595 7.9595 8.0796 8.0796 8.4773 8.4773 8.5990 8.5990 8.6750 8.6750 9.1136 9.1136 9.2376 9.2376 9.5256 9.5256 9.8018 9.8018 10.2139 10.2139 10.2531 10.2531 k = 0.5000-0.1848 0.4817 ( 2404 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3631 4.3631 5.2099 5.2099 6.5314 6.5314 6.9060 6.9060 7.7798 7.7798 7.8908 7.8908 7.9403 7.9403 7.9555 7.9555 8.0798 8.0798 8.4347 8.4347 8.5871 8.5871 8.6531 8.6531 9.1241 9.1241 9.2370 9.2370 9.5647 9.5647 9.8308 9.8308 10.2094 10.2094 10.2582 10.2582 k = 0.5000-0.1732 0.4899 ( 2408 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3727 4.3727 5.2319 5.2319 6.4959 6.4959 6.8989 6.8989 7.7769 7.7769 7.8950 7.8950 7.9207 7.9207 7.9639 7.9639 8.0802 8.0802 8.3940 8.3940 8.5745 8.5745 8.6326 8.6326 9.1327 9.1327 9.2365 9.2365 9.6042 9.6042 9.8598 9.8598 10.2044 10.2044 10.2636 10.2636 k = 0.5000-0.1617 0.4981 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3828 4.3828 5.2560 5.2560 6.4578 6.4578 6.8911 6.8911 7.7745 7.7745 7.8898 7.8898 7.9097 7.9097 7.9727 7.9727 8.0806 8.0806 8.3557 8.3557 8.5614 8.5614 8.6138 8.6138 9.1399 9.1399 9.2359 9.2359 9.6436 9.6436 9.8886 9.8886 10.1988 10.1988 10.2692 10.2692 k = 0.5000-0.1501 0.5062 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3933 4.3933 5.2823 5.2823 6.4172 6.4172 6.8825 6.8825 7.7722 7.7722 7.8705 7.8705 7.9125 7.9125 7.9814 7.9814 8.0806 8.0806 8.3201 8.3201 8.5482 8.5482 8.5963 8.5963 9.1459 9.1459 9.2353 9.2353 9.6823 9.6823 9.9168 9.9168 10.1926 10.1926 10.2748 10.2748 k = 0.5000-0.1386 0.5144 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.4041 4.4041 5.3107 5.3107 6.3745 6.3745 6.8733 6.8733 7.7695 7.7695 7.8496 7.8496 7.9176 7.9176 7.9901 7.9901 8.0799 8.0799 8.2876 8.2876 8.5352 8.5352 8.5802 8.5802 9.1510 9.1510 9.2345 9.2345 9.7199 9.7199 9.9442 9.9442 10.1858 10.1858 10.2805 10.2805 k = 0.5000-0.1270 0.5226 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.4149 4.4149 5.3411 5.3411 6.3299 6.3299 6.8637 6.8637 7.7656 7.7656 7.8309 7.8309 7.9226 7.9226 7.9985 7.9985 8.0782 8.0782 8.2586 8.2586 8.5227 8.5227 8.5652 8.5652 9.1556 9.1556 9.2337 9.2337 9.7561 9.7561 9.9708 9.9708 10.1784 10.1784 10.2860 10.2860 k = 0.5000-0.1155 0.5307 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.4257 4.4257 5.3735 5.3735 6.2837 6.2837 6.8538 6.8538 7.7587 7.7587 7.8166 7.8166 7.9272 7.9272 8.0065 8.0065 8.0753 8.0753 8.2334 8.2334 8.5110 8.5110 8.5511 8.5511 9.1596 9.1596 9.2328 9.2328 9.7907 9.7907 9.9962 9.9962 10.1703 10.1703 10.2913 10.2913 k = 0.5000-0.1039 0.5389 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.4361 4.4361 5.4079 5.4079 6.2362 6.2362 6.8436 6.8436 7.7478 7.7478 7.8086 7.8086 7.9308 7.9308 8.0140 8.0140 8.0711 8.0711 8.2123 8.2123 8.5004 8.5004 8.5381 8.5381 9.1632 9.1632 9.2320 9.2320 9.8236 9.8236 10.0205 10.0205 10.1616 10.1616 10.2962 10.2962 k = 0.5000-0.0924 0.5471 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4461 4.4461 5.4441 5.4441 6.1876 6.1876 6.8336 6.8336 7.7339 7.7339 7.8060 7.8060 7.9330 7.9330 8.0208 8.0208 8.0663 8.0663 8.1954 8.1954 8.4908 8.4908 8.5259 8.5259 9.1664 9.1664 9.2311 9.2311 9.8548 9.8548 10.0434 10.0434 10.1522 10.1522 10.3008 10.3008 k = 0.5000-0.0808 0.5552 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4555 4.4555 5.4820 5.4820 6.1382 6.1382 6.8239 6.8239 7.7192 7.7192 7.8069 7.8069 7.9334 7.9334 8.0263 8.0263 8.0617 8.0617 8.1824 8.1824 8.4823 8.4823 8.5148 8.5148 9.1693 9.1693 9.2302 9.2302 9.8842 9.8842 10.0649 10.0649 10.1420 10.1420 10.3050 10.3050 k = 0.5000-0.0693 0.5634 ( 2404 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4640 4.4640 5.5217 5.5217 6.0883 6.0883 6.8147 6.8147 7.7052 7.7052 7.8101 7.8101 7.9314 7.9314 8.0302 8.0302 8.0585 8.0585 8.1727 8.1727 8.4749 8.4749 8.5048 8.5048 9.1718 9.1718 9.2293 9.2293 9.9118 9.9118 10.0845 10.0845 10.1312 10.1312 10.3085 10.3085 k = 0.5000-0.0577 0.5715 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4716 4.4716 5.5630 5.5630 6.0382 6.0382 6.8064 6.8064 7.6928 7.6928 7.8149 7.8149 7.9272 7.9272 8.0323 8.0323 8.0577 8.0577 8.1656 8.1656 8.4687 8.4687 8.4962 8.4962 9.1740 9.1740 9.2285 9.2285 9.9377 9.9377 10.1016 10.1016 10.1201 10.1201 10.3115 10.3115 k = 0.5000-0.0462 0.5797 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4780 4.4780 5.6058 5.6058 5.9879 5.9879 6.7992 6.7992 7.6823 7.6823 7.8205 7.8205 7.9209 7.9209 8.0329 8.0329 8.0589 8.0589 8.1604 8.1604 8.4635 8.4635 8.4889 8.4889 9.1759 9.1759 9.2278 9.2278 9.9619 9.9619 10.1046 10.1046 10.1200 10.1200 10.3138 10.3138 k = 0.5000-0.0346 0.5879 ( 2384 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4832 4.4832 5.6499 5.6499 5.9378 5.9378 6.7933 6.7933 7.6741 7.6741 7.8266 7.8266 7.9135 7.9135 8.0332 8.0332 8.0609 8.0609 8.1568 8.1568 8.4595 8.4595 8.4833 8.4833 9.1774 9.1774 9.2272 9.2272 9.9845 9.9845 10.0920 10.0920 10.1320 10.1320 10.3154 10.3154 k = 0.5000-0.0231 0.5960 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4869 4.4869 5.6953 5.6953 5.8881 5.8881 6.7890 6.7890 7.6681 7.6681 7.8325 7.8325 7.9062 7.9062 8.0333 8.0333 8.0628 8.0628 8.1543 8.1543 8.4565 8.4565 8.4791 8.4791 9.1784 9.1784 9.2267 9.2267 10.0054 10.0054 10.0776 10.0776 10.1415 10.1415 10.3164 10.3164 k = 0.5000-0.0115 0.6042 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4892 4.4892 5.7417 5.7417 5.8391 5.8391 6.7863 6.7863 7.6644 7.6644 7.8369 7.8369 7.9006 7.9006 8.0334 8.0334 8.0641 8.0641 8.1528 8.1528 8.4546 8.4546 8.4765 8.4765 9.1790 9.1790 9.2264 9.2264 10.0244 10.0244 10.0624 10.0624 10.1475 10.1475 10.3169 10.3169 k = 0.5000-0.0000 0.6124 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4900 4.4900 5.7824 5.7824 5.7975 5.7975 6.7854 6.7854 7.6632 7.6632 7.8387 7.8387 7.8984 7.8984 8.0335 8.0335 8.0646 8.0646 8.1524 8.1524 8.4540 8.4540 8.4757 8.4757 9.1793 9.1793 9.2263 9.2263 10.0371 10.0371 10.0509 10.0509 10.1496 10.1496 10.3171 10.3171 k = 0.5000-0.0000 0.6124 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4900 4.4900 5.7824 5.7824 5.7975 5.7975 6.7854 6.7854 7.6632 7.6632 7.8387 7.8387 7.8984 7.8984 8.0335 8.0335 8.0646 8.0646 8.1524 8.1524 8.4540 8.4540 8.4757 8.4757 9.1793 9.1793 9.2263 9.2263 10.0371 10.0371 10.0509 10.0509 10.1496 10.1496 10.3171 10.3171 k = 0.4931 0.0120 0.6124 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4884 4.4884 5.7565 5.7565 5.8231 5.8231 6.7880 6.7880 7.6626 7.6626 7.8378 7.8378 7.8996 7.8996 8.0335 8.0335 8.0648 8.0648 8.1532 8.1532 8.4540 8.4540 8.4756 8.4756 9.1796 9.1796 9.2269 9.2269 10.0284 10.0284 10.0577 10.0577 10.1507 10.1507 10.3177 10.3177 k = 0.4861 0.0241 0.6124 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4840 4.4840 5.7259 5.7259 5.8518 5.8518 6.7957 6.7957 7.6611 7.6611 7.8351 7.8351 7.9033 7.9033 8.0337 8.0337 8.0651 8.0651 8.1556 8.1556 8.4540 8.4540 8.4752 8.4752 9.1810 9.1810 9.2286 9.2286 10.0117 10.0117 10.0683 10.0683 10.1549 10.1549 10.3191 10.3191 k = 0.4792 0.0361 0.6124 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4775 4.4775 5.6968 5.6968 5.8769 5.8769 6.8086 6.8086 7.6586 7.6586 7.8307 7.8307 7.9090 7.9090 8.0343 8.0343 8.0655 8.0655 8.1598 8.1598 8.4537 8.4537 8.4742 8.4742 9.1833 9.1833 9.2313 9.2313 9.9911 9.9911 10.0790 10.0790 10.1628 10.1628 10.3211 10.3211 k = 0.4722 0.0481 0.6124 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4695 4.4695 5.6693 5.6693 5.8976 5.8976 6.8261 6.8261 7.6554 7.6554 7.8251 7.8251 7.9163 7.9163 8.0356 8.0356 8.0658 8.0658 8.1655 8.1655 8.4531 8.4531 8.4728 8.4728 9.1866 9.1866 9.2353 9.2353 9.9675 9.9675 10.0896 10.0896 10.1747 10.1747 10.3235 10.3235 k = 0.4653 0.0601 0.6124 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4605 4.4605 5.6435 5.6435 5.9139 5.9139 6.8477 6.8477 7.6516 7.6516 7.8187 7.8187 7.9245 7.9245 8.0375 8.0375 8.0663 8.0663 8.1727 8.1727 8.4518 8.4518 8.4710 8.4710 9.1905 9.1905 9.2409 9.2409 9.9419 9.9419 10.0999 10.0999 10.1902 10.1902 10.3260 10.3260 k = 0.4583 0.0722 0.6124 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4510 4.4510 5.6196 5.6196 5.9260 5.9260 6.8723 6.8723 7.6473 7.6473 7.8118 7.8118 7.9331 7.9331 8.0399 8.0399 8.0671 8.0671 8.1812 8.1812 8.4494 8.4494 8.4691 8.4691 9.1946 9.1946 9.2486 9.2486 9.9149 9.9149 10.1101 10.1101 10.2092 10.2092 10.3284 10.3284 k = 0.4514 0.0842 0.6124 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4412 4.4412 5.5974 5.5974 5.9344 5.9344 6.8989 6.8989 7.6427 7.6427 7.8048 7.8048 7.9416 7.9416 8.0424 8.0424 8.0690 8.0690 8.1907 8.1907 8.4455 8.4455 8.4675 8.4675 9.1985 9.1985 9.2587 9.2587 9.8871 9.8871 10.1199 10.1199 10.2311 10.2311 10.3308 10.3308 k = 0.4444 0.0962 0.6124 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4316 4.4316 5.5771 5.5771 5.9397 5.9397 6.9265 6.9265 7.6380 7.6380 7.7978 7.7978 7.9496 7.9496 8.0443 8.0443 8.0727 8.0727 8.2009 8.2009 8.4397 8.4397 8.4663 8.4663 9.2018 9.2018 9.2714 9.2714 9.8588 9.8588 10.1293 10.1293 10.2557 10.2557 10.3330 10.3330 k = 0.4375 0.1083 0.6124 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4222 4.4222 5.5586 5.5586 5.9425 5.9425 6.9540 6.9540 7.6333 7.6333 7.7910 7.7910 7.9570 7.9570 8.0452 8.0452 8.0786 8.0786 8.2117 8.2117 8.4324 8.4324 8.4656 8.4656 9.2046 9.2046 9.2866 9.2866 9.8304 9.8304 10.1383 10.1383 10.2822 10.2822 10.3351 10.3351 k = 0.4306 0.1203 0.6124 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4134 4.4134 5.5421 5.5421 5.9434 5.9434 6.9806 6.9806 7.6288 7.6288 7.7846 7.7846 7.9635 7.9635 8.0451 8.0451 8.0866 8.0866 8.2227 8.2227 8.4236 8.4236 8.4653 8.4653 9.2067 9.2067 9.3038 9.3038 9.8022 9.8022 10.1468 10.1468 10.3093 10.3093 10.3377 10.3377 k = 0.4236 0.1323 0.6124 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4053 4.4053 5.5274 5.5274 5.9430 5.9430 7.0054 7.0054 7.6245 7.6245 7.7786 7.7786 7.9692 7.9692 8.0443 8.0443 8.0961 8.0961 8.2339 8.2339 8.4137 8.4137 8.4651 8.4651 9.2085 9.2085 9.3226 9.3226 9.7745 9.7745 10.1547 10.1547 10.3309 10.3309 10.3459 10.3459 k = 0.4167 0.1443 0.6124 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3981 4.3981 5.5147 5.5147 5.9418 5.9418 7.0280 7.0280 7.6205 7.6205 7.7732 7.7732 7.9740 7.9740 8.0431 8.0431 8.1063 8.1063 8.2448 8.2448 8.4029 8.4029 8.4649 8.4649 9.2097 9.2097 9.3425 9.3425 9.7476 9.7476 10.1618 10.1618 10.3361 10.3361 10.3692 10.3692 k = 0.4097 0.1564 0.6124 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3918 4.3918 5.5039 5.5039 5.9402 5.9402 7.0477 7.0477 7.6170 7.6170 7.7685 7.7685 7.9781 7.9781 8.0418 8.0418 8.1165 8.1165 8.2557 8.2557 8.3914 8.3914 8.4648 8.4648 9.2108 9.2108 9.3628 9.3628 9.7219 9.7219 10.1680 10.1680 10.3376 10.3376 10.3936 10.3936 k = 0.4028 0.1684 0.6124 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3865 4.3865 5.4950 5.4950 5.9384 5.9384 7.0643 7.0643 7.6139 7.6139 7.7646 7.7646 7.9814 7.9814 8.0404 8.0404 8.1260 8.1260 8.2662 8.2662 8.3797 8.3797 8.4648 8.4648 9.2116 9.2116 9.3825 9.3825 9.6980 9.6980 10.1733 10.1733 10.3384 10.3384 10.4146 10.4146 k = 0.3958 0.1804 0.6124 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3823 4.3823 5.4881 5.4881 5.9368 5.9368 7.0774 7.0774 7.6115 7.6115 7.7615 7.7615 7.9840 7.9840 8.0393 8.0393 8.1343 8.1343 8.2762 8.2762 8.3683 8.3683 8.4647 8.4647 9.2121 9.2121 9.4008 9.4008 9.6767 9.6767 10.1775 10.1775 10.3389 10.3389 10.4309 10.4309 k = 0.3889 0.1925 0.6124 ( 2387 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3793 4.3793 5.4832 5.4832 5.9355 5.9355 7.0869 7.0869 7.6097 7.6097 7.7592 7.7592 7.9860 7.9860 8.0383 8.0383 8.1407 8.1407 8.2853 8.2853 8.3579 8.3579 8.4648 8.4648 9.2127 9.2127 9.4160 9.4160 9.6594 9.6594 10.1806 10.1806 10.3392 10.3392 10.4422 10.4422 k = 0.3819 0.2045 0.6124 ( 2390 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3774 4.3774 5.4803 5.4803 5.9347 5.9347 7.0926 7.0926 7.6086 7.6086 7.7578 7.7578 7.9871 7.9871 8.0377 8.0377 8.1448 8.1448 8.2923 8.2923 8.3499 8.3499 8.4647 8.4647 9.2129 9.2129 9.4264 9.4264 9.6479 9.6479 10.1825 10.1825 10.3393 10.3393 10.4487 10.4487 k = 0.3750 0.2165 0.6124 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3768 4.3768 5.4793 5.4793 5.9344 5.9344 7.0945 7.0945 7.6083 7.6083 7.7573 7.7573 7.9876 7.9876 8.0375 8.0375 8.1462 8.1462 8.2952 8.2952 8.3467 8.3467 8.4648 8.4648 9.2130 9.2130 9.4302 9.4302 9.6438 9.6438 10.1832 10.1832 10.3394 10.3394 10.4508 10.4508 k = 0.3750 0.2165 0.6124 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3768 4.3768 5.4793 5.4793 5.9344 5.9344 7.0945 7.0945 7.6083 7.6083 7.7573 7.7573 7.9876 7.9876 8.0375 8.0375 8.1462 8.1462 8.2952 8.2952 8.3467 8.3467 8.4648 8.4648 9.2130 9.2130 9.4302 9.4302 9.6438 9.6438 10.1832 10.1832 10.3394 10.3394 10.4508 10.4508 k = 0.3679 0.2124 0.6008 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3611 4.3611 5.5209 5.5209 5.8795 5.8795 7.1149 7.1149 7.5740 7.5740 7.7555 7.7555 7.9956 7.9956 8.0467 8.0467 8.1440 8.1440 8.2750 8.2750 8.3471 8.3471 8.4492 8.4492 9.2102 9.2102 9.4501 9.4501 9.6676 9.6676 10.1771 10.1771 10.3549 10.3549 10.4422 10.4422 k = 0.3608 0.2083 0.5893 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3386 4.3386 5.5647 5.5647 5.8312 5.8312 7.1356 7.1356 7.5400 7.5400 7.7544 7.7544 8.0024 8.0024 8.0556 8.0556 8.1418 8.1418 8.2553 8.2553 8.3499 8.3499 8.4351 8.4351 9.2072 9.2072 9.4699 9.4699 9.6931 9.6931 10.1706 10.1706 10.3710 10.3710 10.4347 10.4347 k = 0.3538 0.2043 0.5777 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3085 4.3085 5.6105 5.6105 5.7908 5.7908 7.1567 7.1567 7.5064 7.5064 7.7541 7.7541 8.0076 8.0076 8.0640 8.0640 8.1399 8.1399 8.2363 8.2363 8.3534 8.3534 8.4232 8.4232 9.2039 9.2039 9.4895 9.4895 9.7204 9.7204 10.1636 10.1636 10.3861 10.3861 10.4307 10.4307 k = 0.3467 0.2002 0.5662 ( 2390 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2703 4.2703 5.6584 5.6584 5.7589 5.7589 7.1777 7.1777 7.4735 7.4735 7.7544 7.7544 8.0108 8.0108 8.0714 8.0714 8.1385 8.1385 8.2182 8.2182 8.3563 8.3563 8.4147 8.4147 9.2003 9.2003 9.5090 9.5090 9.7494 9.7494 10.1560 10.1560 10.3949 10.3949 10.4355 10.4355 k = 0.3396 0.1961 0.5546 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2240 4.2240 5.7082 5.7082 5.7363 5.7363 7.1988 7.1988 7.4413 7.4413 7.7552 7.7552 8.0122 8.0122 8.0773 8.0773 8.1376 8.1376 8.2015 8.2015 8.3575 8.3575 8.4107 8.4107 9.1964 9.1964 9.5285 9.5285 9.7802 9.7802 10.1479 10.1479 10.3951 10.3951 10.4518 10.4518 k = 0.3325 0.1920 0.5430 ( 2381 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.1697 4.1697 5.7226 5.7226 5.7602 5.7602 7.2197 7.2197 7.4100 7.4100 7.7566 7.7566 8.0117 8.0117 8.0808 8.0808 8.1363 8.1363 8.1876 8.1876 8.3570 8.3570 8.4111 8.4111 9.1923 9.1923 9.5478 9.5478 9.8126 9.8126 10.1392 10.1392 10.3921 10.3921 10.4747 10.4747 k = 0.3255 0.1879 0.5315 ( 2385 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.1080 4.1080 5.7179 5.7179 5.8138 5.8138 7.2401 7.2401 7.3796 7.3796 7.7585 7.7585 8.0091 8.0091 8.0813 8.0813 8.1319 8.1319 8.1794 8.1794 8.3562 8.3562 8.4144 8.4144 9.1879 9.1879 9.5670 9.5670 9.8463 9.8463 10.1299 10.1299 10.3895 10.3895 10.5012 10.5012 k = 0.3184 0.1838 0.5199 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.0397 4.0397 5.7215 5.7215 5.8694 5.8694 7.2600 7.2600 7.3504 7.3504 7.7609 7.7609 8.0045 8.0045 8.0791 8.0791 8.1224 8.1224 8.1791 8.1791 8.3564 8.3564 8.4192 8.4192 9.1832 9.1832 9.5861 9.5861 9.8809 9.8809 10.1199 10.1199 10.3888 10.3888 10.5306 10.5306 k = 0.3113 0.1797 0.5084 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6878 -28.6878 -28.6871 -28.6871 3.9657 3.9657 5.7325 5.7325 5.9267 5.9267 7.2788 7.2788 7.3229 7.3229 7.7638 7.7638 7.9976 7.9976 8.0741 8.0741 8.1100 8.1100 8.1849 8.1849 8.3584 8.3584 8.4247 8.4247 9.1783 9.1783 9.6052 9.6052 9.9158 9.9158 10.1094 10.1094 10.3911 10.3911 10.5625 10.5625 k = 0.3042 0.1757 0.4968 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6878 -28.6878 -28.6870 -28.6870 3.8870 3.8870 5.7502 5.7502 5.9858 5.9858 7.2882 7.2882 7.3051 7.3051 7.7671 7.7671 7.9882 7.9882 8.0649 8.0649 8.0994 8.0994 8.1940 8.1940 8.3622 8.3622 8.4302 8.4302 9.1732 9.1732 9.6242 9.6242 9.9498 9.9498 10.0982 10.0982 10.3975 10.3975 10.5970 10.5970 k = 0.2972 0.1716 0.4853 ( 2385 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6878 -28.6878 -28.6870 -28.6870 3.8046 3.8046 5.7737 5.7737 6.0466 6.0466 7.2667 7.2667 7.3186 7.3186 7.7709 7.7709 7.9766 7.9766 8.0503 8.0503 8.0937 8.0937 8.2049 8.2049 8.3676 8.3676 8.4356 8.4356 9.1679 9.1679 9.6432 9.6432 9.9819 9.9819 10.0865 10.0865 10.4094 10.4094 10.6340 10.6340 k = 0.2901 0.1675 0.4737 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6878 -28.6878 -28.6870 -28.6870 3.7193 3.7193 5.8022 5.8022 6.1088 6.1088 7.2423 7.2423 7.3351 7.3351 7.7750 7.7750 7.9629 7.9629 8.0315 8.0315 8.0925 8.0925 8.2166 8.2166 8.3743 8.3743 8.4405 8.4405 9.1624 9.1624 9.6619 9.6619 10.0105 10.0105 10.0743 10.0743 10.4280 10.4280 10.6735 10.6735 k = 0.2830 0.1634 0.4622 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6878 -28.6878 -28.6870 -28.6870 3.6318 3.6318 5.8350 5.8350 6.1726 6.1726 7.2188 7.2188 7.3509 7.3509 7.7792 7.7792 7.9477 7.9477 8.0106 8.0106 8.0942 8.0942 8.2290 8.2290 8.3819 8.3819 8.4451 8.4451 9.1566 9.1566 9.6807 9.6807 10.0336 10.0336 10.0627 10.0627 10.4545 10.4545 10.7156 10.7156 k = 0.2759 0.1593 0.4506 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5211 -29.5211 -28.6878 -28.6878 -28.6869 -28.6869 3.5430 3.5430 5.8714 5.8714 6.2377 6.2377 7.1964 7.1964 7.3658 7.3658 7.7835 7.7835 7.9317 7.9317 7.9887 7.9887 8.0981 8.0981 8.2418 8.2418 8.3902 8.3902 8.4496 8.4496 9.1509 9.1509 9.6994 9.6994 10.0405 10.0405 10.0616 10.0616 10.4895 10.4895 10.7603 10.7603 k = 0.2689 0.1552 0.4391 ( 2395 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6877 -28.6877 -28.6869 -28.6869 3.4532 3.4532 5.9109 5.9109 6.3041 6.3041 7.1752 7.1752 7.3794 7.3794 7.7874 7.7874 7.9152 7.9152 7.9664 7.9664 8.1037 8.1037 8.2547 8.2547 8.3987 8.3987 8.4539 8.4539 9.1450 9.1450 9.7180 9.7180 10.0287 10.0287 10.0736 10.0736 10.5327 10.5327 10.8077 10.8077 k = 0.2618 0.1511 0.4275 ( 2391 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6877 -28.6877 -28.6869 -28.6869 3.3631 3.3631 5.9530 5.9530 6.3716 6.3716 7.1553 7.1553 7.3916 7.3916 7.7906 7.7906 7.8991 7.8991 7.9442 7.9442 8.1108 8.1108 8.2678 8.2678 8.4073 8.4073 8.4583 8.4583 9.1392 9.1392 9.7365 9.7365 10.0138 10.0138 10.0835 10.0835 10.5835 10.5835 10.8577 10.8577 k = 0.2547 0.1471 0.4160 ( 2395 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6877 -28.6877 -28.6868 -28.6868 3.2731 3.2731 5.9972 5.9972 6.4401 6.4401 7.1366 7.1366 7.4024 7.4024 7.7919 7.7919 7.8841 7.8841 7.9224 7.9224 8.1191 8.1191 8.2809 8.2809 8.4157 8.4157 8.4629 8.4629 9.1333 9.1333 9.7549 9.7549 9.9977 9.9977 10.0904 10.0904 10.6409 10.6409 10.9105 10.9105 k = 0.2476 0.1430 0.4044 ( 2395 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6877 -28.6877 -28.6868 -28.6868 3.1836 3.1836 6.0430 6.0430 6.5094 6.5094 7.1192 7.1192 7.4117 7.4117 7.7902 7.7902 7.8711 7.8711 7.9021 7.9021 8.1284 8.1284 8.2940 8.2940 8.4239 8.4239 8.4680 8.4680 9.1275 9.1275 9.7732 9.7732 9.9806 9.9806 10.0946 10.0946 10.7038 10.7038 10.9660 10.9660 k = 0.2406 0.1389 0.3928 ( 2391 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6876 -28.6876 -28.6868 -28.6868 3.0948 3.0948 6.0902 6.0902 6.5792 6.5792 7.1031 7.1031 7.4194 7.4194 7.7841 7.7841 7.8588 7.8588 7.8861 7.8861 8.1386 8.1386 8.3072 8.3072 8.4319 8.4319 8.4736 8.4736 9.1218 9.1218 9.7913 9.7913 9.9627 9.9627 10.0970 10.0970 10.7713 10.7713 11.0242 11.0242 k = 0.2335 0.1348 0.3813 ( 2399 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6876 -28.6876 -28.6867 -28.6867 3.0070 3.0070 6.1383 6.1383 6.6493 6.6493 7.0882 7.0882 7.4255 7.4255 7.7736 7.7736 7.8429 7.8429 7.8788 7.8788 8.1493 8.1493 8.3204 8.3204 8.4396 8.4396 8.4797 8.4797 9.1162 9.1162 9.8090 9.8090 9.9441 9.9441 10.0981 10.0981 10.8424 10.8424 11.0852 11.0852 k = 0.2264 0.1307 0.3697 ( 2403 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6875 -28.6875 -28.6867 -28.6867 2.9205 2.9205 6.1870 6.1870 6.7193 6.7193 7.0747 7.0747 7.4300 7.4300 7.7601 7.7601 7.8236 7.8236 7.8794 7.8794 8.1603 8.1603 8.3338 8.3338 8.4474 8.4474 8.4865 8.4865 9.1107 9.1107 9.8266 9.8266 9.9247 9.9247 10.0983 10.0983 10.9164 10.9164 11.1489 11.1489 k = 0.2193 0.1266 0.3582 ( 2403 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6875 -28.6875 -28.6867 -28.6867 2.8355 2.8355 6.2361 6.2361 6.7889 6.7889 7.0626 7.0626 7.4328 7.4328 7.7452 7.7452 7.8031 7.8031 7.8842 7.8842 8.1711 8.1711 8.3475 8.3475 8.4554 8.4554 8.4941 8.4941 9.1055 9.1055 9.8437 9.8437 9.9049 9.9049 10.0979 10.0979 10.9927 10.9927 11.2154 11.2154 k = 0.2123 0.1226 0.3466 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6875 -28.6875 -28.6867 -28.6867 2.7522 2.7522 6.2853 6.2853 6.8574 6.8574 7.0521 7.0521 7.4341 7.4341 7.7301 7.7301 7.7823 7.7823 7.8915 7.8915 8.1815 8.1815 8.3616 8.3616 8.4638 8.4638 8.5026 8.5026 9.1006 9.1006 9.8584 9.8584 9.8865 9.8865 10.0974 10.0974 11.0707 11.0707 11.2846 11.2846 k = 0.2052 0.1185 0.3351 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6874 -28.6874 -28.6866 -28.6866 2.6706 2.6706 6.3344 6.3344 6.9236 6.9236 7.0436 7.0436 7.4339 7.4339 7.7160 7.7160 7.7616 7.7616 7.9003 7.9003 8.1911 8.1911 8.3762 8.3762 8.4725 8.4725 8.5122 8.5122 9.0960 9.0960 9.8554 9.8554 9.8848 9.8848 10.0967 10.0967 11.1499 11.1499 11.3565 11.3565 k = 0.1981 0.1144 0.3235 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6874 -28.6874 -28.6866 -28.6866 2.5910 2.5910 6.3830 6.3830 6.9835 6.9835 7.0404 7.0404 7.4322 7.4322 7.7035 7.7035 7.7414 7.7414 7.9102 7.9102 8.1995 8.1995 8.3911 8.3911 8.4814 8.4814 8.5234 8.5234 9.0916 9.0916 9.8351 9.8351 9.8994 9.8994 10.0962 10.0962 11.2298 11.2298 11.4310 11.4310 k = 0.1910 0.1103 0.3120 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6873 -28.6873 -28.6866 -28.6866 2.5135 2.5135 6.4311 6.4311 7.0127 7.0127 7.0658 7.0658 7.4291 7.4291 7.6928 7.6928 7.7226 7.7226 7.9209 7.9209 8.2067 8.2067 8.4063 8.4063 8.4906 8.4906 8.5366 8.5366 9.0876 9.0876 9.8121 9.8121 9.9157 9.9157 10.0958 10.0958 11.3101 11.3101 11.5082 11.5082 k = 0.1840 0.1062 0.3004 ( 2399 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6873 -28.6873 -28.6865 -28.6865 2.4381 2.4381 6.4783 6.4783 7.0125 7.0125 7.1173 7.1173 7.4247 7.4247 7.6823 7.6823 7.7083 7.7083 7.9322 7.9322 8.2125 8.2125 8.4213 8.4213 8.5000 8.5000 8.5522 8.5522 9.0840 9.0840 9.7880 9.7880 9.9321 9.9321 10.0957 10.0957 11.3904 11.3904 11.5880 11.5880 k = 0.1769 0.1021 0.2889 ( 2399 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6872 -28.6872 -28.6865 -28.6865 2.3650 2.3650 6.5246 6.5246 7.0089 7.0089 7.1672 7.1672 7.4192 7.4192 7.6676 7.6676 7.7041 7.7041 7.9440 7.9440 8.2170 8.2170 8.4359 8.4359 8.5097 8.5097 8.5704 8.5704 9.0807 9.0807 9.7629 9.7629 9.9483 9.9483 10.0960 10.0960 11.4706 11.4706 11.6703 11.6703 k = 0.1698 0.0980 0.2773 ( 2411 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6871 -28.6871 -28.6865 -28.6865 2.2943 2.2943 6.5698 6.5698 7.0055 7.0055 7.2100 7.2100 7.4126 7.4126 7.6492 7.6492 7.7110 7.7110 7.9562 7.9562 8.2201 8.2201 8.4496 8.4496 8.5199 8.5199 8.5912 8.5912 9.0777 9.0777 9.7371 9.7371 9.9643 9.9643 10.0967 10.0967 11.5504 11.5504 11.7550 11.7550 k = 0.1627 0.0940 0.2657 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6871 -28.6871 -28.6865 -28.6865 2.2260 2.2260 6.6137 6.6137 7.0030 7.0030 7.2440 7.2440 7.4051 7.4051 7.6295 7.6295 7.7279 7.7279 7.9688 7.9688 8.2222 8.2222 8.4626 8.4626 8.5310 8.5310 8.6145 8.6145 9.0752 9.0752 9.7106 9.7106 9.9800 9.9800 10.0979 10.0979 11.6297 11.6297 11.8421 11.8421 k = 0.1557 0.0899 0.2542 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6870 -28.6870 -28.6864 -28.6864 2.1603 2.1603 6.6562 6.6562 7.0014 7.0014 7.2683 7.2683 7.3968 7.3968 7.6094 7.6094 7.7540 7.7540 7.9817 7.9817 8.2234 8.2234 8.4747 8.4747 8.5431 8.5431 8.6399 8.6399 9.0729 9.0729 9.6834 9.6834 9.9955 9.9955 10.0995 10.0995 11.7087 11.7087 11.9315 11.9315 k = 0.1486 0.0858 0.2426 ( 2415 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6870 -28.6870 -28.6864 -28.6864 2.0971 2.0971 6.6972 6.6972 7.0008 7.0008 7.2836 7.2836 7.3879 7.3879 7.5890 7.5890 7.7878 7.7878 7.9947 7.9947 8.2236 8.2236 8.4864 8.4864 8.5561 8.5561 8.6670 8.6670 9.0710 9.0710 9.6556 9.6556 10.0105 10.0105 10.1017 10.1017 11.7872 11.7872 12.0230 12.0230 k = 0.1415 0.0817 0.2311 ( 2419 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6869 -28.6869 -28.6864 -28.6864 2.0365 2.0365 6.7367 6.7367 7.0013 7.0013 7.2914 7.2914 7.3784 7.3784 7.5686 7.5686 7.8274 7.8274 8.0078 8.0078 8.2233 8.2233 8.4982 8.4982 8.5701 8.5701 8.6954 8.6954 9.0694 9.0694 9.6272 9.6272 10.0252 10.0252 10.1043 10.1043 11.8656 11.8656 12.1165 12.1165 k = 0.1344 0.0776 0.2195 ( 2417 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6869 -28.6869 -28.6864 -28.6864 1.9786 1.9786 6.7745 6.7745 7.0029 7.0029 7.2934 7.2934 7.3685 7.3685 7.5483 7.5483 7.8702 7.8702 8.0209 8.0209 8.2224 8.2224 8.5111 8.5111 8.5849 8.5849 8.7245 8.7245 9.0681 9.0681 9.5982 9.5982 10.0394 10.0394 10.1075 10.1075 11.9441 11.9441 12.2119 12.2119 k = 0.1274 0.0735 0.2080 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6868 -28.6868 -28.6864 -28.6864 1.9234 1.9234 6.8106 6.8106 7.0055 7.0055 7.2913 7.2913 7.3583 7.3583 7.5281 7.5281 7.9140 7.9140 8.0340 8.0340 8.2212 8.2212 8.5256 8.5256 8.6005 8.6005 8.7539 8.7539 9.0672 9.0672 9.5688 9.5688 10.0534 10.0534 10.1112 10.1112 12.0230 12.0230 12.3089 12.3089 k = 0.1203 0.0694 0.1964 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6867 -28.6867 -28.6863 -28.6863 1.8710 1.8710 6.8449 6.8449 7.0090 7.0090 7.2864 7.2864 7.3479 7.3479 7.5079 7.5079 7.9566 7.9566 8.0470 8.0470 8.2198 8.2198 8.5420 8.5420 8.6168 8.6168 8.7831 8.7831 9.0664 9.0664 9.5388 9.5388 10.0667 10.0667 10.1154 10.1154 12.1025 12.1025 12.4072 12.4072 k = 0.1132 0.0654 0.1849 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6867 -28.6867 -28.6863 -28.6863 1.8214 1.8214 6.8773 6.8773 7.0135 7.0135 7.2796 7.2796 7.3373 7.3373 7.4878 7.4878 7.9965 7.9965 8.0597 8.0597 8.2181 8.2181 8.5614 8.5614 8.6336 8.6336 8.8118 8.8118 9.0657 9.0657 9.5085 9.5085 10.0795 10.0795 10.1201 10.1201 12.1831 12.1831 12.5065 12.5065 k = 0.1061 0.0613 0.1733 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6866 -28.6866 -28.6863 -28.6863 1.7747 1.7747 6.9079 6.9079 7.0191 7.0191 7.2717 7.2717 7.3268 7.3268 7.4679 7.4679 8.0321 8.0321 8.0726 8.0726 8.2165 8.2165 8.5839 8.5839 8.6513 8.6513 8.8397 8.8397 9.0653 9.0653 9.4779 9.4779 10.0919 10.0919 10.1251 10.1251 12.2652 12.2652 12.6064 12.6064 k = 0.0991 0.0572 0.1618 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6866 -28.6866 -28.6863 -28.6863 1.7308 1.7308 6.9365 6.9365 7.0257 7.0257 7.2633 7.2633 7.3163 7.3163 7.4482 7.4482 8.0622 8.0622 8.0858 8.0858 8.2151 8.2151 8.6096 8.6096 8.6697 8.6697 8.8664 8.8664 9.0650 9.0650 9.4470 9.4470 10.1036 10.1036 10.1305 10.1305 12.3491 12.3491 12.7063 12.7063 k = 0.0920 0.0531 0.1502 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6865 -28.6865 -28.6863 -28.6863 1.6899 1.6899 6.9631 6.9631 7.0334 7.0334 7.2546 7.2546 7.3060 7.3060 7.4287 7.4287 8.0847 8.0847 8.1009 8.1009 8.2139 8.2139 8.6383 8.6383 8.6888 8.6888 8.8918 8.8918 9.0649 9.0649 9.4158 9.4158 10.1147 10.1147 10.1362 10.1362 12.4350 12.4350 12.8057 12.8057 k = 0.0849 0.0490 0.1387 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6865 -28.6865 -28.6863 -28.6863 1.6519 1.6519 6.9876 6.9876 7.0423 7.0423 7.2460 7.2460 7.2959 7.2959 7.4094 7.4094 8.0997 8.0997 8.1177 8.1177 8.2133 8.2133 8.6693 8.6693 8.7089 8.7089 8.9155 8.9155 9.0648 9.0648 9.3846 9.3846 10.1252 10.1252 10.1421 10.1421 12.5233 12.5233 12.9036 12.9036 k = 0.0778 0.0449 0.1271 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6864 -28.6864 -28.6862 -28.6862 1.6168 1.6168 7.0097 7.0097 7.0525 7.0525 7.2377 7.2377 7.2861 7.2861 7.3904 7.3904 8.1110 8.1110 8.1327 8.1327 8.2134 8.2134 8.7016 8.7016 8.7302 8.7302 8.9374 8.9374 9.0649 9.0649 9.3533 9.3533 10.1350 10.1350 10.1481 10.1481 12.6141 12.6141 12.9991 12.9991 k = 0.0708 0.0409 0.1155 ( 2403 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6864 -28.6864 -28.6862 -28.6862 1.5847 1.5847 7.0293 7.0293 7.0641 7.0641 7.2298 7.2298 7.2766 7.2766 7.3716 7.3716 8.1206 8.1206 8.1440 8.1440 8.2141 8.2141 8.7333 8.7333 8.7534 8.7534 8.9574 8.9574 9.0649 9.0649 9.3219 9.3219 10.1441 10.1441 10.1540 10.1540 12.7073 12.7073 13.0909 13.0909 k = 0.0637 0.0368 0.1040 ( 2393 PWs) bands (ev): -55.1747 -55.1747 -29.5202 -29.5202 -28.6864 -28.6864 -28.6862 -28.6862 1.5557 1.5557 7.0466 7.0466 7.0770 7.0770 7.2225 7.2225 7.2674 7.2674 7.3534 7.3534 8.1290 8.1290 8.1519 8.1519 8.2157 8.2157 8.7621 8.7621 8.7803 8.7803 8.9754 8.9754 9.0650 9.0650 9.2907 9.2907 10.1524 10.1524 10.1597 10.1597 12.8031 12.8031 13.1776 13.1776 k = 0.0566 0.0327 0.0924 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.5296 1.5296 7.0619 7.0619 7.0905 7.0905 7.2156 7.2156 7.2585 7.2585 7.3355 7.3355 8.1363 8.1363 8.1570 8.1570 8.2178 8.2178 8.7874 8.7874 8.8101 8.8101 8.9912 8.9912 9.0651 9.0651 9.2596 9.2596 10.1599 10.1599 10.1653 10.1653 12.9011 12.9011 13.2576 13.2576 k = 0.0495 0.0286 0.0809 ( 2409 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.5066 1.5066 7.0761 7.0761 7.1041 7.1041 7.2095 7.2095 7.2498 7.2498 7.3183 7.3183 8.1427 8.1427 8.1599 8.1599 8.2203 8.2203 8.8114 8.8114 8.8400 8.8400 9.0047 9.0047 9.0653 9.0653 9.2290 9.2290 10.1666 10.1666 10.1704 10.1704 13.0010 13.0010 13.3292 13.3292 k = 0.0425 0.0245 0.0693 ( 2413 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.4866 1.4866 7.0897 7.0897 7.1170 7.1170 7.2041 7.2041 7.2412 7.2412 7.3018 7.3018 8.1480 8.1480 8.1615 8.1615 8.2229 8.2229 8.8354 8.8354 8.8681 8.8681 9.0158 9.0158 9.0654 9.0654 9.1991 9.1991 10.1726 10.1726 10.1751 10.1751 13.1020 13.1020 13.3913 13.3913 k = 0.0354 0.0204 0.0578 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4696 1.4696 7.1031 7.1031 7.1287 7.1287 7.1995 7.1995 7.2326 7.2326 7.2865 7.2865 8.1524 8.1524 8.1621 8.1621 8.2252 8.2252 8.8596 8.8596 8.8932 8.8932 9.0244 9.0244 9.0654 9.0654 9.1702 9.1702 10.1776 10.1776 10.1793 10.1793 13.2027 13.2027 13.4430 13.4430 k = 0.0283 0.0163 0.0462 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4558 1.4558 7.1165 7.1165 7.1389 7.1389 7.1958 7.1958 7.2237 7.2237 7.2728 7.2728 8.1559 8.1559 8.1622 8.1622 8.2272 8.2272 8.8839 8.8839 8.9150 8.9150 9.0306 9.0306 9.0648 9.0648 9.1431 9.1431 10.1818 10.1818 10.1828 10.1828 13.3012 13.3012 13.4841 13.4841 k = 0.0212 0.0123 0.0347 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4450 1.4450 7.1297 7.1297 7.1473 7.1473 7.1930 7.1930 7.2142 7.2142 7.2613 7.2613 8.1585 8.1585 8.1621 8.1621 8.2289 8.2289 8.9078 8.9078 8.9326 8.9326 9.0345 9.0345 9.0622 9.0622 9.1196 9.1196 10.1851 10.1851 10.1856 10.1856 13.3936 13.3936 13.5149 13.5149 k = 0.0142 0.0082 0.0231 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4373 1.4373 7.1425 7.1425 7.1536 7.1536 7.1912 7.1912 7.2042 7.2042 7.2525 7.2525 8.1604 8.1604 8.1620 8.1620 8.2302 8.2302 8.9303 8.9303 8.9458 8.9458 9.0366 9.0366 9.0550 9.0550 9.1030 9.1030 10.1874 10.1874 10.1876 10.1876 13.4738 13.4738 13.5361 13.5361 k = 0.0071 0.0041 0.0116 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4326 1.4326 7.1535 7.1535 7.1575 7.1575 7.1902 7.1902 7.1947 7.1947 7.2471 7.2471 8.1614 8.1614 8.1618 8.1618 8.2310 8.2310 8.9487 8.9487 8.9539 8.9539 9.0376 9.0376 9.0439 9.0439 9.0951 9.0951 10.1888 10.1888 10.1889 10.1889 13.5310 13.5310 13.5483 13.5484 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4311 1.4311 7.1589 7.1589 7.1589 7.1589 7.1899 7.1899 7.1899 7.1899 7.2452 7.2452 8.1618 8.1618 8.1618 8.1618 8.2312 8.2312 8.9567 8.9567 8.9567 8.9567 9.0378 9.0378 9.0378 9.0378 9.0931 9.0931 10.1893 10.1893 10.1893 10.1893 13.5516 13.5516 13.5516 13.5543 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4311 1.4311 7.1589 7.1589 7.1589 7.1589 7.1899 7.1899 7.1899 7.1899 7.2452 7.2452 8.1618 8.1618 8.1618 8.1618 8.2312 8.2312 8.9567 8.9567 8.9567 8.9567 9.0378 9.0378 9.0378 9.0378 9.0931 9.0931 10.1893 10.1893 10.1893 10.1893 13.5516 13.5516 13.5516 13.5544 k = 0.0116 0.0067 0.0047 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4326 1.4326 7.1544 7.1544 7.1566 7.1566 7.1900 7.1900 7.1949 7.1949 7.2471 7.2471 8.1615 8.1615 8.1618 8.1618 8.2310 8.2310 8.9504 8.9504 8.9520 8.9520 9.0375 9.0375 9.0442 9.0442 9.0951 9.0951 10.1888 10.1888 10.1889 10.1889 13.5291 13.5291 13.5509 13.5509 k = 0.0233 0.0134 0.0095 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4373 1.4373 7.1452 7.1452 7.1507 7.1507 7.1896 7.1896 7.2060 7.2060 7.2526 7.2526 8.1606 8.1606 8.1617 8.1617 8.2302 8.2302 8.9354 8.9354 8.9397 8.9397 9.0337 9.0337 9.0595 9.0595 9.1022 9.1022 10.1874 10.1874 10.1876 10.1876 13.4666 13.4666 13.5488 13.5494 k = 0.0349 0.0201 0.0142 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4451 1.4451 7.1350 7.1350 7.1429 7.1429 7.1874 7.1874 7.2192 7.2192 7.2612 7.2612 8.1592 8.1592 8.1615 8.1615 8.2288 8.2288 8.9166 8.9166 8.9230 8.9230 9.0229 9.0229 9.0789 9.0789 9.1150 9.1150 10.1851 10.1851 10.1855 10.1855 13.3789 13.3789 13.5453 13.5453 k = 0.0465 0.0269 0.0190 ( 2418 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4561 1.4561 7.1248 7.1248 7.1341 7.1341 7.1830 7.1830 7.2335 7.2335 7.2723 7.2723 8.1572 8.1572 8.1612 8.1612 8.2270 8.2270 8.8961 8.8961 8.9038 8.9038 9.0049 9.0049 9.1001 9.1001 9.1317 9.1317 10.1819 10.1819 10.1826 10.1826 13.2769 13.2769 13.5405 13.5411 k = 0.0581 0.0336 0.0237 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6862 -28.6862 -28.6862 -28.6862 1.4701 1.4701 7.1150 7.1150 7.1249 7.1249 7.1767 7.1767 7.2486 7.2486 7.2852 7.2852 8.1546 8.1546 8.1606 8.1606 8.2244 8.2244 8.8749 8.8749 8.8833 8.8833 8.9804 8.9804 9.1222 9.1222 9.1508 9.1508 10.1778 10.1778 10.1790 10.1790 13.1672 13.1672 13.5346 13.5348 k = 0.0698 0.0403 0.0285 ( 2421 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.4873 1.4873 7.1058 7.1058 7.1155 7.1155 7.1686 7.1686 7.2643 7.2643 7.2994 7.2994 8.1515 8.1515 8.1596 8.1596 8.2212 8.2212 8.8534 8.8534 8.8620 8.8620 8.9504 8.9504 9.1448 9.1448 9.1711 9.1711 10.1730 10.1730 10.1746 10.1746 13.0537 13.0537 13.5275 13.5276 k = 0.0814 0.0470 0.0332 ( 2409 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.5075 1.5075 7.0972 7.0972 7.1059 7.1059 7.1593 7.1593 7.2806 7.2806 7.3146 7.3146 8.1478 8.1478 8.1581 8.1581 8.2171 8.2171 8.8320 8.8320 8.8400 8.8400 8.9159 8.9159 9.1675 9.1675 9.1921 9.1921 10.1675 10.1675 10.1697 10.1697 12.9385 12.9385 13.5196 13.5196 k = 0.0930 0.0537 0.0380 ( 2409 PWs) bands (ev): -55.1748 -55.1748 -29.5202 -29.5202 -28.6863 -28.6863 -28.6862 -28.6862 1.5308 1.5308 7.0893 7.0893 7.0957 7.0957 7.1487 7.1487 7.2972 7.2972 7.3306 7.3306 8.1436 8.1436 8.1559 8.1559 8.2120 8.2120 8.8106 8.8106 8.8173 8.8173 8.8776 8.8776 9.1902 9.1902 9.2134 9.2134 10.1614 10.1614 10.1643 10.1643 12.8230 12.8230 13.5109 13.5109 k = 0.1047 0.0604 0.0427 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5202 -29.5202 -28.6864 -28.6864 -28.6862 -28.6862 1.5572 1.5572 7.0820 7.0820 7.0844 7.0844 7.1376 7.1376 7.3143 7.3143 7.3473 7.3473 8.1390 8.1390 8.1530 8.1530 8.2057 8.2057 8.7894 8.7894 8.7933 8.7933 8.8373 8.8373 9.2130 9.2130 9.2348 9.2348 10.1549 10.1549 10.1584 10.1584 12.7081 12.7081 13.5014 13.5016 k = 0.1163 0.0671 0.0475 ( 2394 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6864 -28.6864 -28.6862 -28.6862 1.5867 1.5867 7.0711 7.0711 7.0754 7.0754 7.1267 7.1267 7.3317 7.3317 7.3644 7.3644 8.1339 8.1339 8.1490 8.1490 8.1977 8.1977 8.7653 8.7653 8.7684 8.7684 8.7986 8.7986 9.2355 9.2355 9.2563 9.2563 10.1479 10.1479 10.1522 10.1522 12.5943 12.5943 13.4915 13.4915 k = 0.1279 0.0738 0.0522 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6865 -28.6865 -28.6862 -28.6862 1.6192 1.6192 7.0550 7.0550 7.0694 7.0694 7.1168 7.1168 7.3494 7.3494 7.3819 7.3819 8.1282 8.1282 8.1435 8.1435 8.1878 8.1878 8.7292 8.7292 8.7475 8.7475 8.7670 8.7670 9.2578 9.2578 9.2775 9.2775 10.1406 10.1406 10.1458 10.1458 12.4820 12.4820 13.4811 13.4813 k = 0.1395 0.0806 0.0570 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6865 -28.6865 -28.6862 -28.6862 1.6547 1.6547 7.0354 7.0354 7.0642 7.0642 7.1085 7.1085 7.3674 7.3674 7.3998 7.3998 8.1221 8.1221 8.1358 8.1358 8.1761 8.1761 8.6870 8.6870 8.7269 8.7269 8.7416 8.7416 9.2798 9.2798 9.2985 9.2985 10.1332 10.1332 10.1393 10.1393 12.3714 12.3714 13.4705 13.4709 k = 0.1512 0.0873 0.0617 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5203 -29.5203 -28.6866 -28.6866 -28.6863 -28.6863 1.6932 1.6932 7.0118 7.0118 7.0596 7.0596 7.1019 7.1019 7.3856 7.3856 7.4180 7.4180 8.1155 8.1155 8.1243 8.1243 8.1636 8.1636 8.6444 8.6444 8.7064 8.7064 8.7186 8.7186 9.3013 9.3013 9.3191 9.3191 10.1258 10.1258 10.1328 10.1328 12.2627 12.2627 13.4596 13.4597 k = 0.1628 0.0940 0.0665 ( 2397 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6866 -28.6866 -28.6863 -28.6863 1.7347 1.7347 6.9841 6.9841 7.0557 7.0557 7.0968 7.0968 7.4039 7.4039 7.4362 7.4362 8.1067 8.1067 8.1086 8.1086 8.1520 8.1520 8.6039 8.6039 8.6863 8.6863 8.6968 8.6968 9.3223 9.3223 9.3393 9.3393 10.1186 10.1186 10.1265 10.1265 12.1558 12.1558 13.4486 13.4486 k = 0.1744 0.1007 0.0712 ( 2415 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6867 -28.6867 -28.6863 -28.6863 1.7791 1.7791 6.9518 6.9518 7.0524 7.0524 7.0929 7.0929 7.4223 7.4223 7.4545 7.4545 8.0817 8.0817 8.1013 8.1013 8.1420 8.1420 8.5672 8.5672 8.6663 8.6663 8.6755 8.6755 9.3426 9.3426 9.3588 9.3588 10.1116 10.1116 10.1205 10.1205 12.0508 12.0508 13.4375 13.4375 k = 0.1860 0.1074 0.0760 ( 2409 PWs) bands (ev): -55.1747 -55.1747 -29.5204 -29.5204 -28.6867 -28.6867 -28.6863 -28.6863 1.8264 1.8264 6.9148 6.9148 7.0498 7.0498 7.0902 7.0902 7.4408 7.4408 7.4730 7.4730 8.0503 8.0503 8.0938 8.0938 8.1335 8.1335 8.5352 8.5352 8.6468 8.6468 8.6549 8.6549 9.3624 9.3624 9.3779 9.3779 10.1052 10.1052 10.1149 10.1149 11.9478 11.9478 13.4265 13.4266 k = 0.1977 0.1141 0.0807 ( 2409 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6868 -28.6868 -28.6863 -28.6863 1.8767 1.8767 6.8724 6.8724 7.0477 7.0477 7.0884 7.0884 7.4593 7.4593 7.4913 7.4913 8.0140 8.0140 8.0859 8.0859 8.1256 8.1256 8.5079 8.5079 8.6275 8.6275 8.6347 8.6347 9.3813 9.3813 9.3963 9.3963 10.0994 10.0994 10.1100 10.1100 11.8467 11.8467 13.3838 13.3838 k = 0.2093 0.1208 0.0854 ( 2409 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6869 -28.6869 -28.6863 -28.6863 1.9297 1.9297 6.8243 6.8243 7.0463 7.0463 7.0875 7.0875 7.4778 7.4778 7.5096 7.5096 7.9746 7.9746 8.0778 8.0778 8.1179 8.1179 8.4850 8.4850 8.6084 8.6084 8.6151 8.6151 9.3993 9.3993 9.4139 9.4139 10.0944 10.0944 10.1057 10.1057 11.7476 11.7476 13.3200 13.3200 k = 0.2209 0.1276 0.0902 ( 2415 PWs) bands (ev): -55.1747 -55.1747 -29.5205 -29.5205 -28.6869 -28.6869 -28.6863 -28.6863 1.9856 1.9856 6.7701 6.7701 7.0455 7.0455 7.0874 7.0874 7.4963 7.4963 7.5276 7.5276 7.9342 7.9342 8.0693 8.0693 8.1103 8.1103 8.4655 8.4655 8.5897 8.5897 8.5961 8.5961 9.4164 9.4164 9.4306 9.4306 10.0903 10.0903 10.1023 10.1023 11.6505 11.6505 13.2598 13.2598 k = 0.2326 0.1343 0.0949 ( 2412 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6870 -28.6870 -28.6863 -28.6863 2.0443 2.0443 6.7092 6.7092 7.0452 7.0452 7.0881 7.0881 7.5146 7.5146 7.5454 7.5454 7.8945 7.8945 8.0609 8.0609 8.1029 8.1029 8.4487 8.4487 8.5712 8.5712 8.5779 8.5779 9.4323 9.4323 9.4464 9.4464 10.0873 10.0873 10.0999 10.0999 11.5556 11.5556 13.2033 13.2033 k = 0.2442 0.1410 0.0997 ( 2418 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6870 -28.6870 -28.6863 -28.6863 2.1057 2.1057 6.6416 6.6416 7.0454 7.0454 7.0893 7.0893 7.5328 7.5328 7.5627 7.5627 7.8571 7.8571 8.0522 8.0522 8.0955 8.0955 8.4333 8.4333 8.5531 8.5531 8.5604 8.5604 9.4470 9.4470 9.4611 9.4611 10.0855 10.0855 10.0985 10.0985 11.4629 11.4629 13.1505 13.1505 k = 0.2558 0.1477 0.1044 ( 2424 PWs) bands (ev): -55.1747 -55.1747 -29.5206 -29.5206 -28.6871 -28.6871 -28.6863 -28.6863 2.1697 2.1697 6.5673 6.5673 7.0461 7.0461 7.0912 7.0912 7.5508 7.5508 7.5794 7.5794 7.8231 7.8231 8.0435 8.0435 8.0883 8.0883 8.4188 8.4188 8.5352 8.5352 8.5438 8.5438 9.4605 9.4605 9.4748 9.4748 10.0851 10.0851 10.0982 10.0982 11.3726 11.3726 13.1012 13.1012 k = 0.2674 0.1544 0.1092 ( 2424 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6872 -28.6872 -28.6864 -28.6864 2.2364 2.2364 6.4864 6.4864 7.0472 7.0472 7.0936 7.0936 7.5685 7.5685 7.5954 7.5954 7.7935 7.7935 8.0347 8.0347 8.0812 8.0812 8.4046 8.4046 8.5178 8.5178 8.5282 8.5282 9.4726 9.4726 9.4874 9.4874 10.0861 10.0861 10.0991 10.0991 11.2848 11.2848 13.0554 13.0554 k = 0.2791 0.1611 0.1139 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6872 -28.6872 -28.6864 -28.6864 2.3056 2.3056 6.3995 6.3995 7.0488 7.0488 7.0966 7.0966 7.5861 7.5861 7.6104 7.6104 7.7689 7.7689 8.0259 8.0259 8.0744 8.0744 8.3903 8.3903 8.5007 8.5007 8.5136 8.5136 9.4835 9.4835 9.4988 9.4988 10.0885 10.0885 10.1013 10.1013 11.1998 11.1998 13.0129 13.0129 k = 0.2907 0.1678 0.1187 ( 2409 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6873 -28.6873 -28.6864 -28.6864 2.3774 2.3774 6.3070 6.3070 7.0507 7.0507 7.0999 7.0999 7.6034 7.6034 7.6239 7.6239 7.7496 7.7496 8.0170 8.0170 8.0677 8.0677 8.3754 8.3754 8.4840 8.4840 8.4998 8.4998 9.4929 9.4929 9.5091 9.5091 10.0923 10.0923 10.1046 10.1046 11.1177 11.1177 12.9736 12.9736 k = 0.3023 0.1745 0.1234 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5207 -29.5207 -28.6874 -28.6874 -28.6864 -28.6864 2.4515 2.4515 6.2096 6.2096 7.0529 7.0529 7.1037 7.1037 7.6202 7.6202 7.6352 7.6352 7.7364 7.7364 8.0081 8.0081 8.0613 8.0613 8.3599 8.3599 8.4677 8.4677 8.4866 8.4866 9.5010 9.5010 9.5181 9.5181 10.0974 10.0974 10.1091 10.1091 11.0387 11.0387 12.9373 12.9373 k = 0.3140 0.1813 0.1282 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6874 -28.6874 -28.6864 -28.6864 2.5279 2.5279 6.1081 6.1081 7.0554 7.0554 7.1077 7.1077 7.6367 7.6367 7.6437 7.6437 7.7296 7.7296 7.9993 7.9993 8.0552 8.0552 8.3439 8.3439 8.4519 8.4519 8.4741 8.4741 9.5078 9.5078 9.5260 9.5260 10.1039 10.1039 10.1148 10.1148 10.9631 10.9631 12.9039 12.9039 k = 0.3256 0.1880 0.1329 ( 2424 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6875 -28.6875 -28.6864 -28.6864 2.6065 2.6065 6.0032 6.0032 7.0580 7.0580 7.1120 7.1120 7.6493 7.6493 7.6529 7.6529 7.7290 7.7290 7.9905 7.9905 8.0494 8.0494 8.3274 8.3274 8.4365 8.4365 8.4619 8.4619 9.5134 9.5134 9.5329 9.5329 10.1115 10.1115 10.1214 10.1214 10.8910 10.8910 12.8733 12.8733 k = 0.3372 0.1947 0.1377 ( 2424 PWs) bands (ev): -55.1747 -55.1747 -29.5208 -29.5208 -28.6875 -28.6875 -28.6864 -28.6864 2.6872 2.6872 5.8956 5.8956 7.0609 7.0609 7.1166 7.1166 7.6526 7.6526 7.6687 7.6687 7.7336 7.7336 7.9817 7.9817 8.0440 8.0440 8.3106 8.3106 8.4217 8.4217 8.4500 8.4500 9.5179 9.5179 9.5387 9.5387 10.1200 10.1200 10.1288 10.1288 10.8227 10.8227 12.8452 12.8452 k = 0.3488 0.2014 0.1424 ( 2418 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6876 -28.6876 -28.6864 -28.6864 2.7698 2.7698 5.7860 5.7860 7.0639 7.0639 7.1212 7.1212 7.6551 7.6551 7.6842 7.6842 7.7417 7.7417 7.9730 7.9730 8.0390 8.0390 8.2936 8.2936 8.4076 8.4076 8.4381 8.4381 9.5215 9.5215 9.5437 9.5437 10.1294 10.1294 10.1370 10.1370 10.7584 10.7584 12.8196 12.8196 k = 0.3605 0.2081 0.1472 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6877 -28.6877 -28.6864 -28.6864 2.8541 2.8541 5.6750 5.6750 7.0669 7.0669 7.1259 7.1259 7.6578 7.6578 7.6992 7.6992 7.7515 7.7515 7.9642 7.9642 8.0343 8.0343 8.2765 8.2765 8.3941 8.3941 8.4262 8.4262 9.5241 9.5241 9.5477 9.5477 10.1393 10.1393 10.1457 10.1457 10.6983 10.6983 12.7963 12.7963 k = 0.3721 0.2148 0.1519 ( 2421 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6877 -28.6877 -28.6865 -28.6865 2.9399 2.9399 5.5633 5.5633 7.0700 7.0700 7.1306 7.1306 7.6613 7.6613 7.7138 7.7138 7.7623 7.7623 7.9555 7.9555 8.0300 8.0300 8.2596 8.2596 8.3813 8.3813 8.4143 8.4143 9.5261 9.5261 9.5511 9.5511 10.1496 10.1496 10.1547 10.1547 10.6424 10.6424 12.7753 12.7753 k = 0.3837 0.2215 0.1567 ( 2418 PWs) bands (ev): -55.1747 -55.1747 -29.5209 -29.5209 -28.6877 -28.6877 -28.6865 -28.6865 3.0269 3.0269 5.4517 5.4517 7.0730 7.0730 7.1352 7.1352 7.6659 7.6659 7.7279 7.7279 7.7735 7.7735 7.9469 7.9469 8.0261 8.0261 8.2431 8.2431 8.3694 8.3694 8.4023 8.4023 9.5274 9.5274 9.5538 9.5538 10.1600 10.1600 10.1638 10.1638 10.5911 10.5911 12.7565 12.7565 k = 0.3953 0.2283 0.1614 ( 2425 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6878 -28.6878 -28.6865 -28.6865 3.1148 3.1148 5.3407 5.3407 7.0758 7.0758 7.1395 7.1395 7.6712 7.6712 7.7416 7.7416 7.7847 7.7847 7.9381 7.9381 8.0223 8.0223 8.2269 8.2269 8.3583 8.3583 8.3905 8.3905 9.5282 9.5282 9.5559 9.5559 10.1702 10.1702 10.1728 10.1728 10.5444 10.5444 12.7396 12.7396 k = 0.4070 0.2350 0.1661 ( 2425 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6878 -28.6878 -28.6865 -28.6865 3.2029 3.2029 5.2312 5.2312 7.0786 7.0786 7.1437 7.1437 7.6774 7.6774 7.7550 7.7550 7.7957 7.7957 7.9294 7.9294 8.0189 8.0189 8.2114 8.2114 8.3482 8.3482 8.3789 8.3789 9.5287 9.5287 9.5575 9.5575 10.1801 10.1801 10.1815 10.1815 10.5024 10.5024 12.7248 12.7248 k = 0.4186 0.2417 0.1709 ( 2413 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6879 -28.6879 -28.6865 -28.6865 3.2906 3.2906 5.1242 5.1242 7.0812 7.0812 7.1476 7.1476 7.6840 7.6840 7.7680 7.7680 7.8066 7.8066 7.9206 7.9206 8.0158 8.0158 8.1968 8.1968 8.3390 8.3390 8.3677 8.3677 9.5289 9.5289 9.5589 9.5589 10.1894 10.1894 10.1897 10.1897 10.4653 10.4653 12.7119 12.7119 k = 0.4302 0.2484 0.1756 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6879 -28.6879 -28.6865 -28.6865 3.3768 3.3768 5.0208 5.0208 7.0835 7.0835 7.1511 7.1511 7.6906 7.6906 7.7805 7.7805 7.8169 7.8169 7.9117 7.9117 8.0128 8.0128 8.1833 8.1833 8.3310 8.3310 8.3573 8.3573 9.5289 9.5289 9.5598 9.5598 10.1972 10.1972 10.1980 10.1980 10.4330 10.4330 12.7008 12.7008 k = 0.4419 0.2551 0.1804 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6879 -28.6879 -28.6865 -28.6865 3.4601 3.4601 4.9228 4.9228 7.0856 7.0856 7.1542 7.1542 7.6971 7.6971 7.7925 7.7925 7.8266 7.8266 7.9028 7.9028 8.0100 8.0100 8.1711 8.1711 8.3241 8.3241 8.3479 8.3479 9.5288 9.5288 9.5605 9.5605 10.2038 10.2038 10.2055 10.2055 10.4056 10.4056 12.6915 12.6915 k = 0.4535 0.2618 0.1851 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6879 -28.6879 -28.6865 -28.6865 3.5382 3.5382 4.8324 4.8324 7.0873 7.0873 7.1567 7.1567 7.7028 7.7028 7.8040 7.8040 7.8353 7.8353 7.8939 7.8939 8.0073 8.0073 8.1605 8.1605 8.3184 8.3184 8.3397 8.3397 9.5286 9.5286 9.5610 9.5610 10.2094 10.2094 10.2120 10.2120 10.3833 10.3833 12.6839 12.6839 k = 0.4651 0.2685 0.1899 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6880 -28.6880 -28.6865 -28.6865 3.6079 3.6079 4.7531 4.7531 7.0886 7.0886 7.1588 7.1588 7.7076 7.7076 7.8148 7.8148 7.8427 7.8427 7.8850 7.8850 8.0050 8.0050 8.1519 8.1519 8.3139 8.3139 8.3329 8.3329 9.5284 9.5284 9.5613 9.5613 10.2139 10.2139 10.2171 10.2171 10.3659 10.3659 12.6781 12.6781 k = 0.4767 0.2752 0.1946 ( 2398 PWs) bands (ev): -55.1747 -55.1747 -29.5210 -29.5210 -28.6880 -28.6880 -28.6865 -28.6865 3.6645 3.6645 4.6896 4.6896 7.0896 7.0896 7.1603 7.1603 7.7111 7.7111 7.8248 7.8248 7.8485 7.8485 7.8766 7.8766 8.0032 8.0032 8.1454 8.1454 8.3106 8.3106 8.3279 8.3279 9.5283 9.5283 9.5615 9.5615 10.2172 10.2172 10.2209 10.2209 10.3535 10.3535 12.6739 12.6739 k = 0.4884 0.2820 0.1994 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7022 3.7022 4.6477 4.6477 7.0902 7.0902 7.1612 7.1612 7.7134 7.7134 7.8328 7.8328 7.8522 7.8522 7.8695 7.8695 8.0019 8.0019 8.1415 8.1415 8.3087 8.3087 8.3249 8.3249 9.5282 9.5282 9.5617 9.5617 10.2191 10.2191 10.2232 10.2232 10.3462 10.3462 12.6714 12.6714 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7156 3.7156 4.6329 4.6329 7.0904 7.0904 7.1615 7.1615 7.7141 7.7141 7.8362 7.8362 7.8535 7.8535 7.8663 7.8663 8.0015 8.0015 8.1401 8.1401 8.3081 8.3081 8.3239 8.3239 9.5281 9.5281 9.5617 9.5617 10.2198 10.2198 10.2239 10.2239 10.3437 10.3437 12.6706 12.6706 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7156 3.7156 4.6329 4.6329 7.0904 7.0904 7.1615 7.1615 7.7141 7.7141 7.8362 7.8362 7.8535 7.8535 7.8663 7.8663 8.0015 8.0015 8.1401 8.1401 8.3081 8.3081 8.3239 8.3239 9.5281 9.5281 9.5617 9.5617 10.2198 10.2198 10.2239 10.2239 10.3437 10.3437 12.6706 12.6706 k = 0.5040 0.2770 0.2107 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7166 3.7166 4.6343 4.6343 7.0897 7.0897 7.1607 7.1607 7.7129 7.7129 7.8359 7.8359 7.8465 7.8465 7.8735 7.8735 8.0030 8.0030 8.1405 8.1405 8.3080 8.3080 8.3242 8.3242 9.5277 9.5277 9.5613 9.5613 10.2192 10.2192 10.2234 10.2234 10.3432 10.3432 12.6664 12.6664 k = 0.5081 0.2654 0.2173 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7195 3.7195 4.6384 4.6384 7.0870 7.0870 7.1585 7.1585 7.7090 7.7090 7.8338 7.8338 7.8375 7.8375 7.8845 7.8845 8.0074 8.0074 8.1413 8.1413 8.3077 8.3077 8.3252 8.3252 9.5263 9.5263 9.5601 9.5601 10.2175 10.2175 10.2220 10.2220 10.3415 10.3415 12.6512 12.6512 k = 0.5121 0.2538 0.2239 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7243 3.7243 4.6453 4.6453 7.0814 7.0814 7.1560 7.1560 7.7024 7.7024 7.8249 7.8249 7.8357 7.8357 7.8958 7.8958 8.0144 8.0144 8.1428 8.1428 8.3072 8.3072 8.3269 8.3269 9.5239 9.5239 9.5584 9.5584 10.2144 10.2144 10.2198 10.2198 10.3389 10.3389 12.6172 12.6172 k = 0.5161 0.2421 0.2305 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7310 3.7310 4.6549 4.6549 7.0717 7.0717 7.1546 7.1546 7.6929 7.6929 7.8159 7.8159 7.8353 7.8353 7.9069 7.9069 8.0234 8.0234 8.1445 8.1445 8.3066 8.3066 8.3294 8.3294 9.5203 9.5203 9.5563 9.5563 10.2098 10.2098 10.2170 10.2170 10.3354 10.3354 12.5539 12.5539 k = 0.5202 0.2305 0.2370 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7396 3.7396 4.6672 4.6672 7.0568 7.0568 7.1554 7.1554 7.6807 7.6807 7.8080 7.8080 7.8356 7.8356 7.9179 7.9179 8.0338 8.0338 8.1465 8.1465 8.3059 8.3059 8.3326 8.3326 9.5151 9.5151 9.5542 9.5542 10.2037 10.2037 10.2137 10.2137 10.3311 10.3311 12.4599 12.4599 k = 0.5242 0.2188 0.2436 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7502 3.7502 4.6822 4.6822 7.0366 7.0366 7.1586 7.1586 7.6658 7.6658 7.8014 7.8014 7.8370 7.8370 7.9288 7.9288 8.0449 8.0449 8.1486 8.1486 8.3052 8.3052 8.3366 8.3366 9.5084 9.5084 9.5522 9.5522 10.1962 10.1962 10.2100 10.2100 10.3262 10.3262 12.3449 12.3449 k = 0.5282 0.2072 0.2502 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7626 3.7626 4.6999 4.6999 7.0113 7.0113 7.1641 7.1641 7.6487 7.6487 7.7957 7.7957 7.8395 7.8395 7.9396 7.9396 8.0564 8.0564 8.1506 8.1506 8.3044 8.3044 8.3415 8.3415 9.5000 9.5000 9.5504 9.5504 10.1871 10.1871 10.2057 10.2057 10.3208 10.3208 12.2193 12.2193 k = 0.5323 0.1956 0.2568 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7768 3.7768 4.7203 4.7203 6.9815 6.9815 7.1717 7.1717 7.6297 7.6297 7.7906 7.7906 7.8434 7.8434 7.9504 7.9504 8.0678 8.0678 8.1525 8.1525 8.3038 8.3038 8.3470 8.3470 9.4900 9.4900 9.5488 9.5488 10.1765 10.1765 10.2010 10.2010 10.3151 10.3151 12.0895 12.0895 k = 0.5363 0.1839 0.2634 ( 2410 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7928 3.7928 4.7432 4.7432 6.9476 6.9476 7.1809 7.1809 7.6090 7.6090 7.7860 7.7860 7.8486 7.8486 7.9612 7.9612 8.0784 8.0784 8.1542 8.1542 8.3033 8.3033 8.3532 8.3532 9.4784 9.4784 9.5472 9.5472 10.1644 10.1644 10.1959 10.1959 10.3094 10.3094 11.9590 11.9590 k = 0.5403 0.1723 0.2700 ( 2410 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6867 -28.6867 3.8107 3.8107 4.7688 4.7688 6.9099 6.9099 7.1917 7.1917 7.5872 7.5872 7.7818 7.7818 7.8552 7.8552 7.9721 7.9721 8.0882 8.0882 8.1557 8.1557 8.3031 8.3031 8.3600 8.3600 9.4656 9.4656 9.5458 9.5458 10.1505 10.1505 10.1905 10.1905 10.3038 10.3038 11.8300 11.8300 k = 0.5444 0.1606 0.2766 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8303 3.8303 4.7968 4.7968 6.8688 6.8688 7.2039 7.2039 7.5642 7.5642 7.7780 7.7780 7.8630 7.8630 7.9830 7.9830 8.0967 8.0967 8.1571 8.1571 8.3032 8.3032 8.3672 8.3672 9.4516 9.4516 9.5443 9.5443 10.1349 10.1349 10.1849 10.1849 10.2987 10.2987 11.7041 11.7041 k = 0.5484 0.1490 0.2831 ( 2402 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8515 3.8515 4.8273 4.8273 6.8244 6.8244 7.2173 7.2173 7.5403 7.5403 7.7744 7.7744 7.8720 7.8720 7.9938 7.9938 8.1037 8.1037 8.1586 8.1586 8.3038 8.3038 8.3746 8.3746 9.4368 9.4368 9.5427 9.5427 10.1173 10.1173 10.1793 10.1793 10.2942 10.2942 11.5823 11.5823 k = 0.5524 0.1374 0.2897 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8745 3.8745 4.8602 4.8602 6.7770 6.7770 7.2319 7.2319 7.5156 7.5156 7.7710 7.7710 7.8821 7.8821 8.0045 8.0045 8.1091 8.1091 8.1602 8.1602 8.3050 8.3050 8.3821 8.3821 9.4211 9.4211 9.5409 9.5409 10.0978 10.0978 10.1736 10.1736 10.2904 10.2904 11.4653 11.4653 k = 0.5565 0.1257 0.2963 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.8990 3.8990 4.8955 4.8955 6.7268 6.7268 7.2477 7.2477 7.4901 7.4901 7.7679 7.7679 7.8929 7.8929 8.0150 8.0150 8.1128 8.1128 8.1619 8.1619 8.3066 8.3066 8.3894 8.3894 9.4048 9.4048 9.5389 9.5389 10.0763 10.0763 10.1680 10.1680 10.2875 10.2875 11.3540 11.3540 k = 0.5605 0.1141 0.3029 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.9250 3.9250 4.9329 4.9329 6.6739 6.6739 7.2644 7.2644 7.4642 7.4642 7.7651 7.7651 7.9045 7.9045 8.0251 8.0251 8.1152 8.1152 8.1638 8.1638 8.3089 8.3089 8.3966 8.3966 9.3881 9.3881 9.5366 9.5366 10.0527 10.0527 10.1627 10.1627 10.2856 10.2856 11.2489 11.2489 k = 0.5645 0.1024 0.3095 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.9524 3.9524 4.9725 4.9725 6.6185 6.6185 7.2821 7.2821 7.4379 7.4379 7.7626 7.7626 7.9166 7.9166 8.0348 8.0348 8.1166 8.1166 8.1657 8.1657 8.3118 8.3118 8.4033 8.4033 9.3712 9.3712 9.5340 9.5340 10.0273 10.0273 10.1578 10.1578 10.2847 10.2847 11.1503 11.1503 k = 0.5685 0.0908 0.3161 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 3.9812 3.9812 5.0141 5.0141 6.5608 6.5608 7.3007 7.3007 7.4113 7.4113 7.7604 7.7604 7.9290 7.9290 8.0439 8.0439 8.1172 8.1172 8.1678 8.1678 8.3151 8.3151 8.4096 8.4096 9.3542 9.3542 9.5310 9.5310 10.0000 10.0000 10.1534 10.1534 10.2850 10.2850 11.0587 11.0587 k = 0.5726 0.0792 0.3226 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 4.0112 4.0112 5.0576 5.0576 6.5010 6.5010 7.3197 7.3197 7.3848 7.3848 7.7585 7.7585 7.9413 7.9413 8.0520 8.0520 8.1173 8.1173 8.1702 8.1702 8.3186 8.3186 8.4153 8.4153 9.3373 9.3373 9.5276 9.5276 9.9712 9.9712 10.1497 10.1497 10.2863 10.2863 10.9741 10.9741 k = 0.5766 0.0675 0.3292 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.0422 4.0422 5.1028 5.1028 6.4393 6.4393 7.3371 7.3371 7.3607 7.3607 7.7568 7.7568 7.9532 7.9532 8.0592 8.0592 8.1171 8.1171 8.1734 8.1734 8.3222 8.3222 8.4202 8.4202 9.3208 9.3208 9.5236 9.5236 9.9412 9.9412 10.1467 10.1467 10.2886 10.2886 10.8966 10.8966 k = 0.5806 0.0559 0.3358 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.0741 4.0741 5.1494 5.1494 6.3760 6.3760 7.3271 7.3271 7.3647 7.3647 7.7555 7.7555 7.9644 7.9644 8.0652 8.0652 8.1165 8.1165 8.1778 8.1778 8.3258 8.3258 8.4245 8.4245 9.3047 9.3047 9.5192 9.5192 9.9104 9.9104 10.1445 10.1445 10.2921 10.2921 10.8259 10.8259 k = 0.5847 0.0442 0.3424 ( 2397 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.1067 4.1067 5.1973 5.1973 6.3115 6.3115 7.3017 7.3017 7.3851 7.3851 7.7544 7.7544 7.9745 7.9745 8.0701 8.0701 8.1160 8.1160 8.1836 8.1836 8.3292 8.3292 8.4281 8.4281 9.2893 9.2893 9.5142 9.5142 9.8794 9.8794 10.1434 10.1434 10.2965 10.2965 10.7620 10.7620 k = 0.5887 0.0326 0.3490 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6870 -28.6870 4.1398 4.1398 5.2459 5.2459 6.2464 6.2464 7.2757 7.2757 7.4070 7.4070 7.7536 7.7536 7.9830 7.9830 8.0736 8.0736 8.1157 8.1157 8.1911 8.1911 8.3324 8.3324 8.4310 8.4310 9.2749 9.2749 9.5085 9.5085 9.8485 9.8485 10.1433 10.1433 10.3019 10.3019 10.7044 10.7044 k = 0.5927 0.0210 0.3556 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.1731 4.1731 5.2949 5.2949 6.1812 6.1812 7.2502 7.2502 7.4295 7.4295 7.7531 7.7531 7.9897 7.9897 8.0753 8.0753 8.1166 8.1166 8.2000 8.2000 8.3352 8.3352 8.4335 8.4335 9.2616 9.2616 9.5023 9.5023 9.8184 9.8184 10.1444 10.1444 10.3081 10.3081 10.6526 10.6526 k = 0.5968 0.0093 0.3622 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2061 4.2061 5.3433 5.3433 6.1171 6.1171 7.2256 7.2256 7.4524 7.4524 7.7529 7.7529 7.9946 7.9946 8.0748 8.0748 8.1191 8.1191 8.2102 8.2102 8.3377 8.3377 8.4355 8.4355 9.2496 9.2496 9.4955 9.4955 9.7896 9.7896 10.1466 10.1466 10.3151 10.3151 10.6065 10.6065 k = 0.6008-0.0023 0.3687 ( 2387 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2385 4.2385 5.3901 5.3901 6.0556 6.0556 7.2019 7.2019 7.4755 7.4755 7.7529 7.7529 7.9976 7.9976 8.0721 8.0721 8.1233 8.1233 8.2214 8.2214 8.3398 8.3398 8.4375 8.4375 9.2390 9.2390 9.4880 9.4880 9.7624 9.7624 10.1500 10.1500 10.3227 10.3227 10.5656 10.5656 k = 0.6048-0.0140 0.3753 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2697 4.2697 5.4334 5.4334 5.9990 5.9990 7.1795 7.1795 7.4987 7.4987 7.7531 7.7531 7.9990 7.9990 8.0675 8.0675 8.1284 8.1284 8.2333 8.2333 8.3415 8.3415 8.4395 8.4395 9.2299 9.2299 9.4799 9.4799 9.7370 9.7370 10.1545 10.1545 10.3306 10.3306 10.5298 10.5298 k = 0.6089-0.0256 0.3819 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2990 4.2990 5.4701 5.4701 5.9510 5.9510 7.1587 7.1587 7.5218 7.5218 7.7536 7.7536 7.9990 7.9990 8.0619 8.0619 8.1336 8.1336 8.2457 8.2457 8.3430 8.3430 8.4420 8.4420 9.2226 9.2226 9.4712 9.4712 9.7138 9.7138 10.1599 10.1599 10.3381 10.3381 10.4993 10.4993 k = 0.6129-0.0372 0.3885 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3256 4.3256 5.4957 5.4957 5.9167 5.9167 7.1395 7.1395 7.5445 7.5445 7.7542 7.7542 7.9977 7.9977 8.0557 8.0557 8.1383 8.1383 8.2583 8.2583 8.3442 8.3442 8.4455 8.4455 9.2172 9.2172 9.4618 9.4618 9.6929 9.6929 10.1661 10.1661 10.3444 10.3444 10.4748 10.4748 k = 0.6169-0.0489 0.3951 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3482 4.3482 5.5057 5.5057 5.9019 5.9019 7.1223 7.1223 7.5667 7.5667 7.7550 7.7550 7.9954 7.9954 8.0493 8.0493 8.1421 8.1421 8.2709 8.2709 8.3452 8.3452 8.4503 8.4503 9.2138 9.2138 9.4519 9.4519 9.6743 9.6743 10.1725 10.1725 10.3476 10.3476 10.4577 10.4577 k = 0.6210-0.0605 0.4017 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3658 4.3658 5.4986 5.4986 5.9089 5.9089 7.1072 7.1072 7.5880 7.5880 7.7561 7.7561 7.9920 7.9920 8.0431 8.0431 8.1446 8.1446 8.2832 8.2832 8.3460 8.3460 8.4566 8.4566 9.2124 9.2124 9.4413 9.4413 9.6579 9.6579 10.1786 10.1786 10.3460 10.3460 10.4497 10.4497 k = 0.6250-0.0722 0.4082 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3768 4.3768 5.4793 5.4793 5.9344 5.9344 7.0945 7.0945 7.6083 7.6083 7.7573 7.7573 7.9876 7.9876 8.0375 8.0375 8.1462 8.1462 8.2952 8.2952 8.3467 8.3467 8.4648 8.4648 9.2130 9.2130 9.4302 9.4302 9.6438 9.6438 10.1832 10.1832 10.3394 10.3394 10.4508 10.4508 k = 0.6250-0.0722 0.4082 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3768 4.3768 5.4793 5.4793 5.9344 5.9344 7.0945 7.0945 7.6083 7.6083 7.7573 7.7573 7.9876 7.9876 8.0375 8.0375 8.1462 8.1462 8.2952 8.2952 8.3467 8.3467 8.4648 8.4648 9.2130 9.2130 9.4302 9.4302 9.6438 9.6438 10.1832 10.1832 10.3394 10.3394 10.4508 10.4508 k = 0.6181-0.0682 0.4196 ( 2390 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3774 4.3774 5.4803 5.4803 5.9347 5.9347 7.0926 7.0926 7.6086 7.6086 7.7578 7.7578 7.9871 7.9871 8.0377 8.0377 8.1448 8.1448 8.2923 8.2923 8.3499 8.3499 8.4647 8.4647 9.2129 9.2129 9.4264 9.4264 9.6479 9.6479 10.1825 10.1825 10.3393 10.3393 10.4487 10.4487 k = 0.6111-0.0642 0.4309 ( 2387 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3793 4.3793 5.4832 5.4832 5.9355 5.9355 7.0869 7.0869 7.6097 7.6097 7.7592 7.7592 7.9860 7.9860 8.0383 8.0383 8.1407 8.1407 8.2853 8.2853 8.3579 8.3579 8.4648 8.4648 9.2127 9.2127 9.4160 9.4160 9.6594 9.6594 10.1806 10.1806 10.3392 10.3392 10.4422 10.4422 k = 0.6042-0.0601 0.4423 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3823 4.3823 5.4881 5.4881 5.9368 5.9368 7.0774 7.0774 7.6115 7.6115 7.7615 7.7615 7.9840 7.9840 8.0393 8.0393 8.1343 8.1343 8.2762 8.2762 8.3683 8.3683 8.4647 8.4647 9.2121 9.2121 9.4008 9.4008 9.6767 9.6767 10.1775 10.1775 10.3389 10.3389 10.4309 10.4309 k = 0.5972-0.0561 0.4536 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3865 4.3865 5.4950 5.4950 5.9384 5.9384 7.0643 7.0643 7.6139 7.6139 7.7646 7.7646 7.9814 7.9814 8.0404 8.0404 8.1260 8.1260 8.2662 8.2662 8.3797 8.3797 8.4648 8.4648 9.2116 9.2116 9.3825 9.3825 9.6980 9.6980 10.1733 10.1733 10.3384 10.3384 10.4146 10.4146 k = 0.5903-0.0521 0.4649 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3918 4.3918 5.5039 5.5039 5.9402 5.9402 7.0477 7.0477 7.6170 7.6170 7.7685 7.7685 7.9781 7.9781 8.0418 8.0418 8.1165 8.1165 8.2557 8.2557 8.3914 8.3914 8.4648 8.4648 9.2108 9.2108 9.3628 9.3628 9.7219 9.7219 10.1680 10.1680 10.3376 10.3376 10.3936 10.3936 k = 0.5833-0.0481 0.4763 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3981 4.3981 5.5147 5.5147 5.9418 5.9418 7.0280 7.0280 7.6205 7.6205 7.7732 7.7732 7.9740 7.9740 8.0431 8.0431 8.1063 8.1063 8.2448 8.2448 8.4029 8.4029 8.4649 8.4649 9.2097 9.2097 9.3425 9.3425 9.7476 9.7476 10.1618 10.1618 10.3361 10.3361 10.3692 10.3692 k = 0.5764-0.0441 0.4876 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4053 4.4053 5.5274 5.5274 5.9430 5.9430 7.0054 7.0054 7.6245 7.6245 7.7786 7.7786 7.9692 7.9692 8.0443 8.0443 8.0961 8.0961 8.2339 8.2339 8.4137 8.4137 8.4651 8.4651 9.2085 9.2085 9.3226 9.3226 9.7745 9.7745 10.1547 10.1547 10.3309 10.3309 10.3459 10.3459 k = 0.5694-0.0401 0.4990 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4134 4.4134 5.5421 5.5421 5.9434 5.9434 6.9806 6.9806 7.6288 7.6288 7.7846 7.7846 7.9635 7.9635 8.0451 8.0451 8.0866 8.0866 8.2227 8.2227 8.4236 8.4236 8.4653 8.4653 9.2067 9.2067 9.3038 9.3038 9.8022 9.8022 10.1468 10.1468 10.3093 10.3093 10.3377 10.3377 k = 0.5625-0.0361 0.5103 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4222 4.4222 5.5586 5.5586 5.9425 5.9425 6.9540 6.9540 7.6333 7.6333 7.7910 7.7910 7.9570 7.9570 8.0452 8.0452 8.0786 8.0786 8.2117 8.2117 8.4324 8.4324 8.4656 8.4656 9.2046 9.2046 9.2866 9.2866 9.8304 9.8304 10.1383 10.1383 10.2822 10.2822 10.3351 10.3351 k = 0.5556-0.0321 0.5217 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.4316 4.4316 5.5771 5.5771 5.9397 5.9397 6.9265 6.9265 7.6380 7.6380 7.7978 7.7978 7.9496 7.9496 8.0443 8.0443 8.0727 8.0727 8.2009 8.2009 8.4397 8.4397 8.4663 8.4663 9.2018 9.2018 9.2714 9.2714 9.8588 9.8588 10.1293 10.1293 10.2557 10.2557 10.3330 10.3330 k = 0.5486-0.0281 0.5330 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4412 4.4412 5.5974 5.5974 5.9344 5.9344 6.8989 6.8989 7.6427 7.6427 7.8048 7.8048 7.9416 7.9416 8.0424 8.0424 8.0690 8.0690 8.1907 8.1907 8.4455 8.4455 8.4675 8.4675 9.1985 9.1985 9.2587 9.2587 9.8871 9.8871 10.1199 10.1199 10.2311 10.2311 10.3308 10.3308 k = 0.5417-0.0241 0.5443 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4510 4.4510 5.6196 5.6196 5.9260 5.9260 6.8723 6.8723 7.6473 7.6473 7.8118 7.8118 7.9331 7.9331 8.0399 8.0399 8.0671 8.0671 8.1812 8.1812 8.4494 8.4494 8.4691 8.4691 9.1946 9.1946 9.2486 9.2486 9.9149 9.9149 10.1101 10.1101 10.2092 10.2092 10.3284 10.3284 k = 0.5347-0.0200 0.5557 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4605 4.4605 5.6435 5.6435 5.9139 5.9139 6.8477 6.8477 7.6516 7.6516 7.8187 7.8187 7.9245 7.9245 8.0375 8.0375 8.0663 8.0663 8.1727 8.1727 8.4518 8.4518 8.4710 8.4710 9.1905 9.1905 9.2409 9.2409 9.9419 9.9419 10.0999 10.0999 10.1902 10.1902 10.3260 10.3260 k = 0.5278-0.0160 0.5670 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4695 4.4695 5.6693 5.6693 5.8976 5.8976 6.8261 6.8261 7.6554 7.6554 7.8251 7.8251 7.9163 7.9163 8.0356 8.0356 8.0658 8.0658 8.1655 8.1655 8.4531 8.4531 8.4728 8.4728 9.1866 9.1866 9.2353 9.2353 9.9675 9.9675 10.0896 10.0896 10.1747 10.1747 10.3235 10.3235 k = 0.5208-0.0120 0.5784 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4775 4.4775 5.6968 5.6968 5.8769 5.8769 6.8086 6.8086 7.6586 7.6586 7.8307 7.8307 7.9090 7.9090 8.0343 8.0343 8.0655 8.0655 8.1598 8.1598 8.4537 8.4537 8.4742 8.4742 9.1833 9.1833 9.2313 9.2313 9.9911 9.9911 10.0790 10.0790 10.1628 10.1628 10.3211 10.3211 k = 0.5139-0.0080 0.5897 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4840 4.4840 5.7259 5.7259 5.8518 5.8518 6.7957 6.7957 7.6611 7.6611 7.8351 7.8351 7.9033 7.9033 8.0337 8.0337 8.0651 8.0651 8.1556 8.1556 8.4540 8.4540 8.4752 8.4752 9.1810 9.1810 9.2286 9.2286 10.0117 10.0117 10.0683 10.0683 10.1549 10.1549 10.3191 10.3191 k = 0.5069-0.0040 0.6010 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4884 4.4884 5.7565 5.7565 5.8231 5.8231 6.7880 6.7880 7.6626 7.6626 7.8378 7.8378 7.8996 7.8996 8.0335 8.0335 8.0648 8.0648 8.1532 8.1532 8.4540 8.4540 8.4756 8.4756 9.1796 9.1796 9.2269 9.2269 10.0284 10.0284 10.0577 10.0577 10.1507 10.1507 10.3177 10.3177 k = 0.5000-0.0000 0.6124 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4900 4.4900 5.7824 5.7824 5.7975 5.7975 6.7854 6.7854 7.6632 7.6632 7.8387 7.8387 7.8984 7.8984 8.0335 8.0335 8.0646 8.0646 8.1524 8.1524 8.4540 8.4540 8.4757 8.4757 9.1793 9.1793 9.2263 9.2263 10.0371 10.0371 10.0509 10.0509 10.1496 10.1496 10.3171 10.3171 k = 0.5000-0.0000 0.6124 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4900 4.4900 5.7824 5.7824 5.7975 5.7975 6.7854 6.7854 7.6632 7.6632 7.8387 7.8387 7.8984 7.8984 8.0335 8.0335 8.0646 8.0646 8.1524 8.1524 8.4540 8.4540 8.4757 8.4757 9.1793 9.1793 9.2263 9.2263 10.0371 10.0371 10.0509 10.0509 10.1496 10.1496 10.3171 10.3171 k = 0.5000 0.0080 0.6010 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4872 4.4872 5.7807 5.7807 5.7981 5.7981 6.7895 6.7895 7.6609 7.6609 7.8387 7.8387 7.8986 7.8986 8.0335 8.0335 8.0654 8.0654 8.1535 8.1535 8.4534 8.4534 8.4748 8.4748 9.1801 9.1801 9.2274 9.2274 10.0361 10.0361 10.0496 10.0496 10.1530 10.1530 10.3185 10.3185 k = 0.5000 0.0160 0.5897 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4790 4.4790 5.7692 5.7692 5.8063 5.8063 6.8017 6.8017 7.6544 7.6544 7.8389 7.8389 7.8988 7.8988 8.0337 8.0337 8.0678 8.0678 8.1568 8.1568 8.4514 8.4514 8.4724 8.4724 9.1827 9.1827 9.2308 9.2308 10.0322 10.0322 10.0474 10.0474 10.1623 10.1623 10.3228 10.3228 k = 0.5000 0.0241 0.5784 ( 2388 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4656 4.4656 5.7471 5.7471 5.8235 5.8235 6.8211 6.8211 7.6441 7.6441 7.8391 7.8391 7.8991 7.8991 8.0343 8.0343 8.0712 8.0712 8.1623 8.1623 8.4472 8.4472 8.4693 8.4693 9.1871 9.1871 9.2364 9.2364 10.0252 10.0252 10.0465 10.0465 10.1751 10.1751 10.3305 10.3305 k = 0.5000 0.0321 0.5670 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4475 4.4475 5.7170 5.7170 5.8478 5.8478 6.8464 6.8464 7.6306 7.6306 7.8390 7.8390 7.8991 7.8991 8.0354 8.0354 8.0749 8.0749 8.1698 8.1698 8.4400 8.4400 8.4665 8.4665 9.1928 9.1928 9.2439 9.2439 10.0168 10.0168 10.0466 10.0466 10.1892 10.1892 10.3421 10.3421 k = 0.5000 0.0401 0.5557 ( 2404 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.4254 4.4254 5.6805 5.6805 5.8781 5.8781 6.8765 6.8765 7.6146 7.6146 7.8387 7.8387 7.8987 7.8987 8.0373 8.0373 8.0788 8.0788 8.1790 8.1790 8.4297 8.4297 8.4643 8.4643 9.2000 9.2000 9.2536 9.2536 10.0084 10.0084 10.0475 10.0475 10.2029 10.2029 10.3585 10.3585 k = 0.5000 0.0481 0.5443 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6873 -28.6873 4.3998 4.3998 5.6392 5.6392 5.9136 5.9136 6.9100 6.9100 7.5967 7.5967 7.8382 7.8382 7.8978 7.8978 8.0400 8.0400 8.0825 8.0825 8.1894 8.1894 8.4171 8.4171 8.4626 8.4626 9.2086 9.2086 9.2655 9.2655 10.0008 10.0008 10.0490 10.0490 10.2152 10.2152 10.3804 10.3804 k = 0.5000 0.0561 0.5330 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3715 4.3715 5.5941 5.5941 5.9537 5.9537 6.9459 6.9459 7.5774 7.5774 7.8372 7.8372 7.8962 7.8962 8.0432 8.0432 8.0858 8.0858 8.2005 8.2005 8.4026 8.4026 8.4610 8.4610 9.2183 9.2183 9.2794 9.2794 9.9944 9.9944 10.0510 10.0510 10.2255 10.2255 10.4082 10.4082 k = 0.5000 0.0642 0.5217 ( 2408 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3409 4.3409 5.5463 5.5463 5.9976 5.9976 6.9831 6.9831 7.5572 7.5572 7.8361 7.8361 7.8941 7.8941 8.0469 8.0469 8.0890 8.0890 8.2116 8.2116 8.3871 8.3871 8.4593 8.4593 9.2288 9.2288 9.2955 9.2955 9.9895 9.9895 10.0534 10.0534 10.2338 10.2338 10.4419 10.4419 k = 0.5000 0.0722 0.5103 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3087 4.3087 5.4967 5.4967 6.0447 6.0447 7.0210 7.0210 7.5365 7.5365 7.8347 7.8347 7.8916 7.8916 8.0509 8.0509 8.0920 8.0920 8.2219 8.2219 8.3710 8.3710 8.4575 8.4575 9.2400 9.2400 9.3134 9.3134 9.9865 9.9865 10.0564 10.0564 10.2406 10.2406 10.4813 10.4813 k = 0.5000 0.0802 0.4990 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.2754 4.2754 5.4460 5.4460 6.0945 6.0945 7.0587 7.0587 7.5156 7.5156 7.8330 7.8330 7.8886 7.8886 8.0549 8.0549 8.0948 8.0948 8.2308 8.2308 8.3551 8.3551 8.4553 8.4553 9.2516 9.2516 9.3329 9.3329 9.9854 9.9854 10.0598 10.0598 10.2460 10.2460 10.5263 10.5263 k = 0.5000 0.0882 0.4876 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.2414 4.2414 5.3947 5.3947 6.1463 6.1463 7.0959 7.0959 7.4948 7.4948 7.8311 7.8311 7.8853 7.8853 8.0587 8.0587 8.0975 8.0975 8.2373 8.2373 8.3402 8.3402 8.4527 8.4527 9.2636 9.2636 9.3535 9.3535 9.9864 9.9864 10.0636 10.0636 10.2506 10.2506 10.5769 10.5769 k = 0.5000 0.0962 0.4763 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2070 4.2070 5.3434 5.3434 6.1996 6.1996 7.1319 7.1319 7.4745 7.4745 7.8290 7.8290 7.8817 7.8817 8.0620 8.0620 8.1001 8.1001 8.2404 8.2404 8.3274 8.3274 8.4496 8.4496 9.2759 9.2759 9.3748 9.3748 9.9895 9.9895 10.0680 10.0680 10.2545 10.2545 10.6330 10.6330 k = 0.5000 0.1042 0.4649 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.1726 4.1726 5.2925 5.2925 6.2542 6.2542 7.1664 7.1664 7.4550 7.4550 7.8268 7.8268 7.8779 7.8779 8.0645 8.0645 8.1028 8.1028 8.2393 8.2393 8.3178 8.3178 8.4461 8.4461 9.2886 9.2886 9.3962 9.3962 9.9950 9.9950 10.0727 10.0727 10.2581 10.2581 10.6948 10.6948 k = 0.5000 0.1123 0.4536 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.1384 4.1384 5.2422 5.2422 6.3095 6.3095 7.1986 7.1986 7.4371 7.4371 7.8244 7.8244 7.8740 7.8740 8.0659 8.0659 8.1056 8.1056 8.2337 8.2337 8.3118 8.3118 8.4420 8.4420 9.3016 9.3016 9.4170 9.4170 10.0027 10.0027 10.0779 10.0779 10.2613 10.2613 10.7624 10.7624 k = 0.5000 0.1203 0.4423 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.1048 4.1048 5.1930 5.1930 6.3651 6.3651 7.2276 7.2276 7.4217 7.4217 7.8219 7.8219 7.8701 7.8701 8.0658 8.0658 8.1085 8.1085 8.2248 8.2248 8.3087 8.3087 8.4373 8.4373 9.3148 9.3148 9.4368 9.4368 10.0126 10.0126 10.0836 10.0836 10.2643 10.2643 10.8360 10.8360 k = 0.5000 0.1283 0.4309 ( 2398 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.0718 4.0718 5.1449 5.1449 6.4208 6.4208 7.2516 7.2516 7.4106 7.4106 7.8194 7.8194 7.8661 7.8661 8.0641 8.0641 8.1115 8.1115 8.2142 8.2142 8.3073 8.3073 8.4321 8.4321 9.3284 9.3284 9.4551 9.4551 10.0245 10.0245 10.0897 10.0897 10.2672 10.2672 10.9157 10.9157 k = 0.5000 0.1363 0.4196 ( 2400 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.0398 4.0398 5.0983 5.0983 6.4762 6.4762 7.2679 7.2679 7.4067 7.4067 7.8168 7.8168 7.8621 7.8621 8.0606 8.0606 8.1145 8.1145 8.2032 8.2032 8.3065 8.3065 8.4263 8.4263 9.3423 9.3423 9.4715 9.4715 10.0381 10.0381 10.0962 10.0962 10.2701 10.2701 11.0016 11.0016 k = 0.5000 0.1443 0.4082 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 4.0087 4.0087 5.0534 5.0534 6.5310 6.5310 7.2744 7.2744 7.4121 7.4121 7.8141 7.8141 7.8583 7.8583 8.0551 8.0551 8.1173 8.1173 8.1928 8.1928 8.3058 8.3058 8.4200 8.4200 9.3564 9.3564 9.4860 9.4860 10.0531 10.0531 10.1031 10.1031 10.2731 10.2731 11.0934 11.0934 k = 0.5000 0.1524 0.3969 ( 2402 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 3.9788 3.9788 5.0102 5.0102 6.5850 6.5850 7.2718 7.2718 7.4264 7.4264 7.8114 7.8114 7.8546 7.8546 8.0480 8.0480 8.1196 8.1196 8.1833 8.1833 8.3052 8.3052 8.4131 8.4131 9.3708 9.3708 9.4985 9.4985 10.0690 10.0690 10.1104 10.1104 10.2761 10.2761 11.1913 11.1913 k = 0.5000 0.1604 0.3856 ( 2402 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.9502 3.9502 4.9689 4.9689 6.6377 6.6377 7.2632 7.2632 7.4464 7.4464 7.8088 7.8088 7.8510 7.8510 8.0393 8.0393 8.1210 8.1210 8.1750 8.1750 8.3045 8.3045 8.4059 8.4059 9.3853 9.3853 9.5090 9.5090 10.0854 10.0854 10.1182 10.1182 10.2793 10.2793 11.2948 11.2948 k = 0.5000 0.1684 0.3742 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.9229 3.9229 4.9297 4.9297 6.6889 6.6889 7.2517 7.2517 7.4691 7.4691 7.8064 7.8064 7.8478 7.8478 8.0295 8.0295 8.1210 8.1210 8.1682 8.1682 8.3037 8.3037 8.3984 8.3984 9.3998 9.3998 9.5178 9.5178 10.1018 10.1018 10.1264 10.1264 10.2828 10.2828 11.4037 11.4037 k = 0.5000 0.1764 0.3629 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.8971 3.8971 4.8926 4.8926 6.7385 6.7385 7.2389 7.2389 7.4931 7.4931 7.8040 7.8040 7.8447 7.8447 8.0188 8.0188 8.1191 8.1191 8.1630 8.1630 8.3031 8.3031 8.3906 8.3906 9.4143 9.4143 9.5250 9.5250 10.1175 10.1175 10.1352 10.1352 10.2864 10.2864 11.5174 11.5174 k = 0.5000 0.1844 0.3515 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8728 3.8728 4.8577 4.8577 6.7860 6.7860 7.2258 7.2258 7.5173 7.5173 7.8019 7.8019 7.8420 7.8420 8.0077 8.0077 8.1148 8.1148 8.1595 8.1595 8.3026 8.3026 8.3827 8.3827 9.4286 9.4286 9.5309 9.5309 10.1320 10.1320 10.1447 10.1447 10.2905 10.2905 11.6349 11.6349 k = 0.5000 0.1925 0.3402 ( 2398 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8501 3.8501 4.8252 4.8252 6.8313 6.8313 7.2131 7.2131 7.5414 7.5414 7.8002 7.8002 7.8396 7.8396 7.9963 7.9963 8.1084 8.1084 8.1573 8.1573 8.3024 8.3024 8.3749 8.3749 9.4426 9.4426 9.5357 9.5357 10.1447 10.1447 10.1552 10.1552 10.2949 10.2949 11.7533 11.7533 k = 0.5000 0.2005 0.3289 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8290 3.8290 4.7950 4.7950 6.8740 6.8740 7.2009 7.2009 7.5650 7.5650 7.7989 7.7989 7.8376 7.8376 7.9848 7.9848 8.1001 8.1001 8.1559 8.1559 8.3024 8.3024 8.3672 8.3672 9.4560 9.4560 9.5396 9.5396 10.1556 10.1556 10.1663 10.1663 10.2996 10.2996 11.8655 11.8655 k = 0.5000 0.2085 0.3175 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6867 -28.6867 3.8096 3.8096 4.7673 4.7673 6.9138 6.9138 7.1897 7.1897 7.5877 7.5877 7.7982 7.7982 7.8359 7.8359 7.9732 7.9732 8.0903 8.0903 8.1547 8.1547 8.3027 8.3027 8.3599 8.3599 9.4687 9.4687 9.5427 9.5427 10.1653 10.1653 10.1771 10.1771 10.3047 10.3047 11.9728 11.9728 k = 0.5000 0.2165 0.3062 ( 2402 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7920 3.7920 4.7420 4.7420 6.9505 6.9505 7.1796 7.1796 7.6095 7.6095 7.7982 7.7982 7.8347 7.8347 7.9619 7.9619 8.0796 8.0796 8.1535 8.1535 8.3031 8.3031 8.3531 8.3531 9.4806 9.4806 9.5454 9.5454 10.1743 10.1743 10.1868 10.1868 10.3101 10.3101 12.0798 12.0798 k = 0.5000 0.2245 0.2948 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7761 3.7761 4.7193 4.7193 6.9836 6.9836 7.1708 7.1708 7.6301 7.6301 7.7992 7.7992 7.8339 7.8339 7.9507 7.9507 8.0682 8.0682 8.1521 8.1521 8.3037 8.3037 8.3469 8.3469 9.4913 9.4913 9.5477 9.5477 10.1829 10.1829 10.1953 10.1953 10.3156 10.3156 12.1867 12.1867 k = 0.5000 0.2325 0.2835 ( 2412 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7620 3.7620 4.6992 4.6992 7.0127 7.0127 7.1636 7.1636 7.6490 7.6490 7.8013 7.8013 7.8334 7.8334 7.9396 7.9396 8.0565 8.0565 8.1504 8.1504 8.3044 8.3044 8.3413 8.3413 9.5008 9.5008 9.5499 9.5499 10.1909 10.1909 10.2024 10.2024 10.3211 10.3211 12.2924 12.2924 k = 0.5000 0.2406 0.2722 ( 2412 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7498 3.7498 4.6817 4.6817 7.0375 7.0375 7.1583 7.1583 7.6661 7.6661 7.8048 7.8048 7.8334 7.8334 7.9287 7.9287 8.0448 8.0448 8.1485 8.1485 8.3052 8.3052 8.3365 8.3365 9.5088 9.5088 9.5520 9.5520 10.1982 10.1982 10.2083 10.2083 10.3264 10.3264 12.3942 12.3942 k = 0.5000 0.2486 0.2608 ( 2412 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7394 3.7394 4.6668 4.6668 7.0574 7.0574 7.1552 7.1552 7.6809 7.6809 7.8099 7.8099 7.8338 7.8338 7.9177 7.9177 8.0335 8.0335 8.1464 8.1464 8.3059 8.3059 8.3325 8.3325 9.5153 9.5153 9.5542 9.5542 10.2048 10.2048 10.2130 10.2130 10.3312 10.3312 12.4875 12.4875 k = 0.5000 0.2566 0.2495 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7308 3.7308 4.6546 4.6546 7.0720 7.0720 7.1546 7.1546 7.6931 7.6931 7.8168 7.8168 7.8344 7.8344 7.9068 7.9068 8.0232 8.0232 8.1445 8.1445 8.3066 8.3066 8.3293 8.3293 9.5204 9.5204 9.5564 9.5564 10.2102 10.2102 10.2168 10.2168 10.3355 10.3355 12.5651 12.5651 k = 0.5000 0.2646 0.2381 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7242 3.7242 4.6451 4.6451 7.0816 7.0816 7.1560 7.1560 7.7025 7.7025 7.8253 7.8253 7.8353 7.8353 7.8957 7.8957 8.0143 8.0143 8.1427 8.1427 8.3072 8.3072 8.3269 8.3269 9.5240 9.5240 9.5584 9.5584 10.2146 10.2146 10.2197 10.2197 10.3390 10.3390 12.6200 12.6200 k = 0.5000 0.2726 0.2268 ( 2402 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7194 3.7194 4.6383 4.6383 7.0870 7.0870 7.1585 7.1585 7.7090 7.7090 7.8339 7.8339 7.8375 7.8375 7.8844 7.8844 8.0074 8.0074 8.1413 8.1413 8.3077 8.3077 8.3252 8.3252 9.5264 9.5264 9.5602 9.5602 10.2175 10.2175 10.2220 10.2220 10.3416 10.3416 12.6516 12.6516 k = 0.5000 0.2807 0.2155 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7166 3.7166 4.6343 4.6343 7.0897 7.0897 7.1607 7.1607 7.7129 7.7129 7.8360 7.8360 7.8466 7.8466 7.8734 7.8734 8.0030 8.0030 8.1405 8.1405 8.3080 8.3080 8.3242 8.3242 9.5277 9.5277 9.5613 9.5613 10.2192 10.2192 10.2234 10.2234 10.3432 10.3432 12.6664 12.6664 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7156 3.7156 4.6329 4.6329 7.0904 7.0904 7.1615 7.1615 7.7141 7.7141 7.8362 7.8362 7.8535 7.8535 7.8663 7.8663 8.0015 8.0015 8.1401 8.1401 8.3081 8.3081 8.3239 8.3239 9.5281 9.5281 9.5617 9.5617 10.2198 10.2198 10.2239 10.2239 10.3437 10.3437 12.6706 12.6706 k = 0.5000 0.2887 0.2041 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7156 3.7156 4.6329 4.6329 7.0904 7.0904 7.1615 7.1615 7.7141 7.7141 7.8362 7.8362 7.8535 7.8535 7.8663 7.8663 8.0015 8.0015 8.1401 8.1401 8.3081 8.3081 8.3239 8.3239 9.5281 9.5281 9.5617 9.5617 10.2198 10.2198 10.2239 10.2239 10.3437 10.3437 12.6706 12.6706 k = 0.4960 0.2863 0.2173 ( 2392 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7166 3.7166 4.6343 4.6343 7.0897 7.0897 7.1607 7.1607 7.7129 7.7129 7.8359 7.8359 7.8465 7.8465 7.8735 7.8735 8.0030 8.0030 8.1405 8.1405 8.3080 8.3080 8.3242 8.3242 9.5277 9.5277 9.5613 9.5613 10.2192 10.2192 10.2234 10.2234 10.3432 10.3432 12.6664 12.6664 k = 0.4919 0.2840 0.2305 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7195 3.7195 4.6384 4.6384 7.0870 7.0870 7.1585 7.1585 7.7090 7.7090 7.8338 7.8338 7.8375 7.8375 7.8845 7.8845 8.0074 8.0074 8.1413 8.1413 8.3077 8.3077 8.3252 8.3252 9.5263 9.5263 9.5601 9.5601 10.2175 10.2175 10.2220 10.2220 10.3415 10.3415 12.6512 12.6512 k = 0.4879 0.2817 0.2436 ( 2401 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7243 3.7243 4.6453 4.6453 7.0814 7.0814 7.1560 7.1560 7.7024 7.7024 7.8249 7.8249 7.8357 7.8357 7.8958 7.8958 8.0144 8.0144 8.1428 8.1428 8.3072 8.3072 8.3269 8.3269 9.5239 9.5239 9.5584 9.5584 10.2144 10.2144 10.2198 10.2198 10.3389 10.3389 12.6172 12.6172 k = 0.4839 0.2794 0.2568 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7310 3.7310 4.6549 4.6549 7.0717 7.0717 7.1546 7.1546 7.6929 7.6929 7.8159 7.8159 7.8353 7.8353 7.9069 7.9069 8.0234 8.0234 8.1445 8.1445 8.3066 8.3066 8.3294 8.3294 9.5203 9.5203 9.5563 9.5563 10.2098 10.2098 10.2170 10.2170 10.3354 10.3354 12.5539 12.5539 k = 0.4798 0.2770 0.2700 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6865 -28.6865 3.7396 3.7396 4.6672 4.6672 7.0568 7.0568 7.1554 7.1554 7.6807 7.6807 7.8080 7.8080 7.8356 7.8356 7.9179 7.9179 8.0338 8.0338 8.1465 8.1465 8.3059 8.3059 8.3326 8.3326 9.5151 9.5151 9.5542 9.5542 10.2037 10.2037 10.2137 10.2137 10.3311 10.3311 12.4599 12.4599 k = 0.4758 0.2747 0.2831 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7502 3.7502 4.6822 4.6822 7.0366 7.0366 7.1586 7.1586 7.6658 7.6658 7.8014 7.8014 7.8370 7.8370 7.9288 7.9288 8.0449 8.0449 8.1486 8.1486 8.3052 8.3052 8.3366 8.3366 9.5084 9.5084 9.5522 9.5522 10.1962 10.1962 10.2100 10.2100 10.3262 10.3262 12.3449 12.3449 k = 0.4718 0.2724 0.2963 ( 2406 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7626 3.7626 4.6999 4.6999 7.0113 7.0113 7.1641 7.1641 7.6487 7.6487 7.7957 7.7957 7.8395 7.8395 7.9396 7.9396 8.0564 8.0564 8.1506 8.1506 8.3044 8.3044 8.3415 8.3415 9.5000 9.5000 9.5504 9.5504 10.1871 10.1871 10.2057 10.2057 10.3208 10.3208 12.2193 12.2193 k = 0.4677 0.2701 0.3095 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7768 3.7768 4.7203 4.7203 6.9815 6.9815 7.1717 7.1717 7.6297 7.6297 7.7906 7.7906 7.8434 7.8434 7.9504 7.9504 8.0678 8.0678 8.1525 8.1525 8.3038 8.3038 8.3470 8.3470 9.4900 9.4900 9.5488 9.5488 10.1765 10.1765 10.2010 10.2010 10.3151 10.3151 12.0895 12.0895 k = 0.4637 0.2677 0.3226 ( 2410 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6866 -28.6866 3.7928 3.7928 4.7432 4.7432 6.9476 6.9476 7.1809 7.1809 7.6090 7.6090 7.7860 7.7860 7.8486 7.8486 7.9612 7.9612 8.0784 8.0784 8.1542 8.1542 8.3033 8.3033 8.3532 8.3532 9.4784 9.4784 9.5472 9.5472 10.1644 10.1644 10.1959 10.1959 10.3094 10.3094 11.9590 11.9590 k = 0.4597 0.2654 0.3358 ( 2410 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6880 -28.6880 -28.6867 -28.6867 3.8107 3.8107 4.7688 4.7688 6.9099 6.9099 7.1917 7.1917 7.5872 7.5872 7.7818 7.7818 7.8552 7.8552 7.9721 7.9721 8.0882 8.0882 8.1557 8.1557 8.3031 8.3031 8.3600 8.3600 9.4656 9.4656 9.5458 9.5458 10.1505 10.1505 10.1905 10.1905 10.3038 10.3038 11.8300 11.8301 k = 0.4556 0.2631 0.3490 ( 2404 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8303 3.8303 4.7968 4.7968 6.8688 6.8688 7.2039 7.2039 7.5642 7.5642 7.7780 7.7780 7.8630 7.8630 7.9830 7.9830 8.0967 8.0967 8.1571 8.1571 8.3032 8.3032 8.3672 8.3672 9.4516 9.4516 9.5443 9.5443 10.1349 10.1349 10.1849 10.1849 10.2987 10.2987 11.7041 11.7041 k = 0.4516 0.2607 0.3622 ( 2402 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8515 3.8515 4.8273 4.8273 6.8244 6.8244 7.2173 7.2173 7.5403 7.5403 7.7744 7.7744 7.8720 7.8720 7.9938 7.9938 8.1037 8.1037 8.1586 8.1586 8.3038 8.3038 8.3746 8.3746 9.4368 9.4368 9.5427 9.5427 10.1173 10.1173 10.1793 10.1793 10.2942 10.2942 11.5823 11.5823 k = 0.4476 0.2584 0.3753 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5211 -29.5211 -28.6879 -28.6879 -28.6867 -28.6867 3.8745 3.8745 4.8602 4.8602 6.7770 6.7770 7.2319 7.2319 7.5156 7.5156 7.7710 7.7710 7.8821 7.8821 8.0045 8.0045 8.1091 8.1091 8.1602 8.1602 8.3050 8.3050 8.3821 8.3821 9.4211 9.4211 9.5409 9.5409 10.0978 10.0978 10.1736 10.1736 10.2904 10.2904 11.4653 11.4653 k = 0.4435 0.2561 0.3885 ( 2407 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.8990 3.8990 4.8955 4.8955 6.7268 6.7268 7.2477 7.2477 7.4901 7.4901 7.7679 7.7679 7.8929 7.8929 8.0150 8.0150 8.1128 8.1128 8.1619 8.1619 8.3066 8.3066 8.3894 8.3894 9.4048 9.4048 9.5389 9.5389 10.0763 10.0763 10.1680 10.1680 10.2875 10.2875 11.3540 11.3540 k = 0.4395 0.2538 0.4017 ( 2405 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.9250 3.9250 4.9329 4.9329 6.6739 6.6739 7.2644 7.2644 7.4642 7.4642 7.7651 7.7651 7.9045 7.9045 8.0251 8.0251 8.1152 8.1152 8.1638 8.1638 8.3089 8.3089 8.3966 8.3966 9.3881 9.3881 9.5366 9.5366 10.0527 10.0527 10.1627 10.1627 10.2856 10.2856 11.2489 11.2489 k = 0.4355 0.2514 0.4148 ( 2400 PWs) bands (ev): -55.1747 -55.1747 -29.5212 -29.5212 -28.6879 -28.6879 -28.6868 -28.6868 3.9524 3.9524 4.9725 4.9725 6.6185 6.6185 7.2821 7.2821 7.4379 7.4379 7.7626 7.7626 7.9166 7.9166 8.0348 8.0348 8.1166 8.1166 8.1657 8.1657 8.3118 8.3118 8.4033 8.4033 9.3712 9.3712 9.5340 9.5340 10.0273 10.0273 10.1578 10.1578 10.2847 10.2847 11.1503 11.1503 k = 0.4315 0.2491 0.4280 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 3.9812 3.9812 5.0141 5.0141 6.5608 6.5608 7.3007 7.3007 7.4113 7.4113 7.7604 7.7604 7.9290 7.9290 8.0439 8.0439 8.1172 8.1172 8.1678 8.1678 8.3151 8.3151 8.4096 8.4096 9.3542 9.3542 9.5310 9.5310 10.0000 10.0000 10.1534 10.1534 10.2850 10.2850 11.0587 11.0587 k = 0.4274 0.2468 0.4412 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6869 -28.6869 4.0112 4.0112 5.0576 5.0576 6.5010 6.5010 7.3197 7.3197 7.3848 7.3848 7.7585 7.7585 7.9413 7.9413 8.0520 8.0520 8.1173 8.1173 8.1702 8.1702 8.3186 8.3186 8.4153 8.4153 9.3373 9.3373 9.5276 9.5276 9.9712 9.9712 10.1497 10.1497 10.2863 10.2863 10.9741 10.9741 k = 0.4234 0.2444 0.4543 ( 2394 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.0422 4.0422 5.1028 5.1028 6.4393 6.4393 7.3371 7.3371 7.3607 7.3607 7.7568 7.7568 7.9532 7.9532 8.0592 8.0592 8.1171 8.1171 8.1734 8.1734 8.3222 8.3222 8.4202 8.4202 9.3208 9.3208 9.5236 9.5236 9.9412 9.9412 10.1467 10.1467 10.2886 10.2886 10.8966 10.8966 k = 0.4194 0.2421 0.4675 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.0741 4.0741 5.1494 5.1494 6.3760 6.3760 7.3271 7.3271 7.3647 7.3647 7.7555 7.7555 7.9644 7.9644 8.0652 8.0652 8.1165 8.1165 8.1778 8.1778 8.3258 8.3258 8.4245 8.4245 9.3047 9.3047 9.5192 9.5192 9.9104 9.9104 10.1445 10.1445 10.2921 10.2921 10.8259 10.8259 k = 0.4153 0.2398 0.4807 ( 2397 PWs) bands (ev): -55.1746 -55.1746 -29.5212 -29.5212 -28.6879 -28.6879 -28.6870 -28.6870 4.1067 4.1067 5.1973 5.1973 6.3115 6.3115 7.3017 7.3017 7.3851 7.3851 7.7544 7.7544 7.9745 7.9745 8.0701 8.0701 8.1160 8.1160 8.1836 8.1836 8.3292 8.3292 8.4281 8.4281 9.2893 9.2893 9.5142 9.5142 9.8794 9.8794 10.1434 10.1434 10.2965 10.2965 10.7620 10.7620 k = 0.4113 0.2375 0.4938 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6870 -28.6870 4.1398 4.1398 5.2459 5.2459 6.2464 6.2464 7.2757 7.2757 7.4070 7.4070 7.7536 7.7536 7.9830 7.9830 8.0736 8.0736 8.1157 8.1157 8.1911 8.1911 8.3324 8.3324 8.4310 8.4310 9.2749 9.2749 9.5085 9.5085 9.8485 9.8485 10.1433 10.1433 10.3019 10.3019 10.7044 10.7044 k = 0.4073 0.2351 0.5070 ( 2399 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.1731 4.1731 5.2949 5.2949 6.1812 6.1812 7.2502 7.2502 7.4295 7.4295 7.7531 7.7531 7.9897 7.9897 8.0753 8.0753 8.1166 8.1166 8.2000 8.2000 8.3352 8.3352 8.4335 8.4335 9.2616 9.2616 9.5023 9.5023 9.8184 9.8184 10.1444 10.1444 10.3081 10.3081 10.6526 10.6526 k = 0.4032 0.2328 0.5202 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2061 4.2061 5.3433 5.3433 6.1171 6.1171 7.2256 7.2256 7.4524 7.4524 7.7529 7.7529 7.9946 7.9946 8.0748 8.0748 8.1191 8.1191 8.2102 8.2102 8.3377 8.3377 8.4355 8.4355 9.2496 9.2496 9.4955 9.4955 9.7896 9.7896 10.1466 10.1466 10.3151 10.3151 10.6065 10.6065 k = 0.3992 0.2305 0.5334 ( 2387 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2385 4.2385 5.3901 5.3901 6.0556 6.0556 7.2019 7.2019 7.4755 7.4755 7.7529 7.7529 7.9976 7.9976 8.0721 8.0721 8.1233 8.1233 8.2214 8.2214 8.3398 8.3398 8.4375 8.4375 9.2390 9.2390 9.4880 9.4880 9.7624 9.7624 10.1500 10.1500 10.3227 10.3227 10.5656 10.5656 k = 0.3952 0.2281 0.5465 ( 2391 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2697 4.2697 5.4334 5.4334 5.9990 5.9990 7.1795 7.1795 7.4987 7.4987 7.7531 7.7531 7.9990 7.9990 8.0675 8.0675 8.1284 8.1284 8.2333 8.2333 8.3415 8.3415 8.4395 8.4395 9.2299 9.2299 9.4799 9.4799 9.7370 9.7370 10.1545 10.1545 10.3306 10.3306 10.5298 10.5298 k = 0.3911 0.2258 0.5597 ( 2393 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6871 -28.6871 4.2990 4.2990 5.4701 5.4701 5.9510 5.9510 7.1587 7.1587 7.5218 7.5218 7.7536 7.7536 7.9990 7.9990 8.0619 8.0619 8.1336 8.1336 8.2457 8.2457 8.3430 8.3430 8.4420 8.4420 9.2226 9.2226 9.4712 9.4712 9.7138 9.7138 10.1599 10.1599 10.3381 10.3381 10.4993 10.4993 k = 0.3871 0.2235 0.5729 ( 2395 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3256 4.3256 5.4957 5.4957 5.9167 5.9167 7.1395 7.1395 7.5445 7.5445 7.7542 7.7542 7.9977 7.9977 8.0557 8.0557 8.1383 8.1383 8.2583 8.2583 8.3442 8.3442 8.4455 8.4455 9.2172 9.2172 9.4618 9.4618 9.6929 9.6929 10.1661 10.1661 10.3444 10.3444 10.4748 10.4748 k = 0.3831 0.2212 0.5860 ( 2392 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3482 4.3482 5.5057 5.5057 5.9019 5.9019 7.1223 7.1223 7.5667 7.5667 7.7550 7.7550 7.9954 7.9954 8.0493 8.0493 8.1421 8.1421 8.2709 8.2709 8.3452 8.3452 8.4503 8.4503 9.2138 9.2138 9.4519 9.4519 9.6743 9.6743 10.1725 10.1725 10.3476 10.3476 10.4577 10.4577 k = 0.3790 0.2188 0.5992 ( 2396 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3658 4.3658 5.4986 5.4986 5.9089 5.9089 7.1072 7.1072 7.5880 7.5880 7.7561 7.7561 7.9920 7.9920 8.0431 8.0431 8.1446 8.1446 8.2832 8.2832 8.3460 8.3460 8.4566 8.4566 9.2124 9.2124 9.4413 9.4413 9.6579 9.6579 10.1786 10.1786 10.3460 10.3460 10.4497 10.4497 k = 0.3750 0.2165 0.6124 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3768 4.3768 5.4793 5.4793 5.9344 5.9344 7.0945 7.0945 7.6083 7.6083 7.7573 7.7573 7.9876 7.9876 8.0375 8.0375 8.1462 8.1462 8.2952 8.2952 8.3467 8.3467 8.4648 8.4648 9.2130 9.2130 9.4302 9.4302 9.6438 9.6438 10.1832 10.1832 10.3394 10.3394 10.4508 10.4508 k = 0.6250-0.0722 0.4082 ( 2382 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6879 -28.6879 -28.6872 -28.6872 4.3768 4.3768 5.4793 5.4793 5.9344 5.9344 7.0945 7.0945 7.6083 7.6083 7.7573 7.7573 7.9876 7.9876 8.0375 8.0375 8.1462 8.1462 8.2952 8.2952 8.3467 8.3467 8.4648 8.4648 9.2130 9.2130 9.4302 9.4302 9.6438 9.6438 10.1832 10.1832 10.3394 10.3394 10.4508 10.4508 k = 0.6181-0.0842 0.4082 ( 2390 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.3865 4.3865 5.4405 5.4405 5.9935 5.9935 7.0750 7.0750 7.6417 7.6417 7.7601 7.7601 7.9784 7.9784 8.0282 8.0282 8.1474 8.1474 8.3152 8.3152 8.3497 8.3497 8.4806 8.4806 9.2154 9.2154 9.4104 9.4104 9.6217 9.6217 10.1885 10.1885 10.3252 10.3252 10.4571 10.4571 k = 0.6111-0.0962 0.4082 ( 2390 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.3914 4.3914 5.4038 5.4038 6.0561 6.0561 7.0561 7.0561 7.6741 7.6741 7.7644 7.7644 7.9688 7.9688 8.0188 8.0188 8.1473 8.1473 8.3349 8.3349 8.3578 8.3578 8.4968 8.4968 9.2175 9.2175 9.3904 9.3904 9.6009 9.6009 10.1933 10.1933 10.3121 10.3121 10.3913 10.3913 k = 0.6042-0.1083 0.4082 ( 2404 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6872 -28.6872 4.3925 4.3925 5.3692 5.3692 6.1210 6.1210 7.0380 7.0380 7.7041 7.7041 7.7714 7.7714 7.9587 7.9587 8.0092 8.0092 8.1453 8.1453 8.3541 8.3541 8.3719 8.3719 8.5128 8.5128 9.2191 9.2191 9.3699 9.3699 9.5812 9.5812 10.1971 10.1971 10.2987 10.2987 10.3145 10.3145 k = 0.5972-0.1203 0.4082 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3906 4.3906 5.3367 5.3367 6.1867 6.1867 7.0208 7.0208 7.7287 7.7287 7.7840 7.7840 7.9486 7.9486 7.9997 7.9997 8.1416 8.1416 8.3741 8.3741 8.3912 8.3912 8.5287 8.5287 9.2206 9.2206 9.3492 9.3492 9.5623 9.5623 10.1971 10.1971 10.2396 10.2396 10.2906 10.2906 k = 0.5903-0.1323 0.4082 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3864 4.3864 5.3064 5.3064 6.2519 6.2519 7.0047 7.0047 7.7450 7.7450 7.8047 7.8047 7.9385 7.9385 7.9901 7.9901 8.1362 8.1362 8.3971 8.3971 8.4135 8.4135 8.5442 8.5442 9.2215 9.2215 9.3279 9.3279 9.5441 9.5441 10.1554 10.1554 10.2118 10.2118 10.2809 10.2809 k = 0.5833-0.1443 0.4082 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3807 4.3807 5.2783 5.2783 6.3154 6.3154 6.9899 6.9899 7.7548 7.7548 7.8312 7.8312 7.9288 7.9288 7.9808 7.9808 8.1295 8.1295 8.4239 8.4239 8.4377 8.4377 8.5590 8.5590 9.2218 9.2218 9.3063 9.3063 9.5263 9.5263 10.0877 10.0877 10.2128 10.2128 10.2724 10.2724 k = 0.5764-0.1564 0.4082 ( 2408 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6880 -28.6880 -28.6871 -28.6871 4.3738 4.3738 5.2524 5.2524 6.3761 6.3761 6.9764 6.9764 7.7617 7.7617 7.8594 7.8594 7.9196 7.9196 7.9716 7.9716 8.1222 8.1222 8.4543 8.4543 8.4637 8.4637 8.5733 8.5733 9.2207 9.2207 9.2847 9.2847 9.5087 9.5087 10.0219 10.0219 10.2154 10.2154 10.2649 10.2649 k = 0.5694-0.1684 0.4082 ( 2414 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3664 4.3664 5.2287 5.2287 6.4330 6.4330 6.9645 6.9645 7.7676 7.7676 7.8859 7.8859 7.9120 7.9120 7.9629 7.9629 8.1146 8.1146 8.4866 8.4866 8.4926 8.4926 8.5870 8.5870 9.2164 9.2164 9.2647 9.2647 9.4912 9.4912 9.9599 9.9599 10.2180 10.2180 10.2584 10.2584 k = 0.5625-0.1804 0.4082 ( 2412 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3588 4.3588 5.2072 5.2072 6.4853 6.4853 6.9544 6.9544 7.7731 7.7731 7.8967 7.8967 7.9191 7.9191 7.9548 7.9548 8.1073 8.1073 8.5167 8.5167 8.5275 8.5275 8.6004 8.6004 9.2049 9.2049 9.2502 9.2502 9.4736 9.4736 9.9026 9.9026 10.2203 10.2203 10.2527 10.2527 k = 0.5556-0.1925 0.4082 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3513 4.3513 5.1879 5.1879 6.5321 6.5321 6.9462 6.9462 7.7785 7.7785 7.8906 7.8906 7.9384 7.9384 7.9500 7.9500 8.1007 8.1007 8.5461 8.5461 8.5654 8.5654 8.6145 8.6145 9.1838 9.1838 9.2432 9.2432 9.4559 9.4559 9.8503 9.8503 10.2224 10.2224 10.2479 10.2479 k = 0.5486-0.2045 0.4082 ( 2412 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3441 4.3441 5.1709 5.1709 6.5729 6.5729 6.9400 6.9400 7.7839 7.7839 7.8832 7.8832 7.9373 7.9373 7.9651 7.9651 8.0952 8.0952 8.5748 8.5748 8.6018 8.6018 8.6323 8.6323 9.1561 9.1561 9.2405 9.2405 9.4380 9.4380 9.8037 9.8037 10.2243 10.2243 10.2438 10.2438 k = 0.5417-0.2165 0.4082 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3376 4.3376 5.1561 5.1561 6.6075 6.6075 6.9359 6.9359 7.7894 7.7894 7.8760 7.8760 7.9311 7.9311 7.9827 7.9827 8.0913 8.0913 8.5995 8.5995 8.6323 8.6323 8.6607 8.6607 9.1245 9.1245 9.2396 9.2396 9.4201 9.4201 9.7630 9.7630 10.2258 10.2258 10.2404 10.2404 k = 0.5347-0.2285 0.4082 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6871 -28.6871 4.3317 4.3317 5.1436 5.1436 6.6357 6.6357 6.9336 6.9336 7.7948 7.7948 7.8693 7.8693 7.9253 7.9253 7.9967 7.9967 8.0894 8.0894 8.6161 8.6161 8.6624 8.6624 8.6965 8.6965 9.0901 9.0901 9.2393 9.2393 9.4025 9.4025 9.7285 9.7285 10.2269 10.2269 10.2378 10.2378 k = 0.5278-0.2406 0.4082 ( 2410 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3268 4.3268 5.1334 5.1334 6.6576 6.6576 6.9330 6.9330 7.8001 7.8001 7.8630 7.8630 7.9203 7.9203 8.0066 8.0066 8.0896 8.0896 8.6263 8.6263 8.6961 8.6961 8.7320 8.7320 9.0539 9.0539 9.2392 9.2392 9.3859 9.3859 9.7004 9.7004 10.2276 10.2276 10.2358 10.2358 k = 0.5208-0.2526 0.4082 ( 2418 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3229 4.3229 5.1254 5.1254 6.6738 6.6738 6.9334 6.9334 7.8050 7.8050 7.8572 7.8572 7.9163 7.9163 8.0128 8.0128 8.0912 8.0912 8.6329 8.6329 8.7313 8.7313 8.7635 8.7635 9.0169 9.0169 9.2392 9.2392 9.3709 9.3709 9.6786 9.6786 10.2280 10.2280 10.2346 10.2346 k = 0.5139-0.2646 0.4082 ( 2422 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3200 4.3200 5.1197 5.1197 6.6847 6.6847 6.9344 6.9344 7.8093 7.8093 7.8524 7.8524 7.9133 7.9133 8.0161 8.0161 8.0934 8.0934 8.6372 8.6372 8.7651 8.7651 8.7891 8.7891 8.9810 8.9810 9.2393 9.2393 9.3589 9.3589 9.6631 9.6631 10.2279 10.2279 10.2340 10.2340 k = 0.5069-0.2766 0.4082 ( 2426 PWs) bands (ev): -55.1747 -55.1747 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3183 4.3183 5.1163 5.1163 6.6910 6.6910 6.9352 6.9352 7.8125 7.8125 7.8490 7.8490 7.9115 7.9115 8.0177 8.0177 8.0952 8.0952 8.6395 8.6395 8.7911 8.7911 8.8085 8.8085 8.9507 8.9507 9.2393 9.2393 9.3510 9.3510 9.6539 9.6539 10.2278 10.2278 10.2338 10.2338 k = 0.5000-0.2887 0.4082 ( 2402 PWs) bands (ev): -55.1746 -55.1746 -29.5213 -29.5213 -28.6881 -28.6881 -28.6870 -28.6870 4.3177 4.3177 5.1151 5.1151 6.6932 6.6932 6.9357 6.9357 7.8138 7.8138 7.8479 7.8479 7.9111 7.9111 8.0182 8.0182 8.0959 8.0959 8.6404 8.6404 8.8002 8.8002 8.8180 8.8180 8.9377 8.9377 9.2394 9.2394 9.3483 9.3483 9.6509 9.6509 10.2277 10.2277 10.2338 10.2338 Writing output data file AlVNi2.save init_run : 0.54s CPU 0.64s WALL ( 1 calls) electrons : 143.42s CPU 145.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 143.41s CPU 145.80s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 333 calls) cegterg : 132.28s CPU 134.30s WALL ( 577 calls) Called by sum_band: Called by *egterg: h_psi : 75.07s CPU 76.30s WALL ( 9865 calls) s_psi : 4.74s CPU 4.73s WALL ( 9865 calls) g_psi : 0.11s CPU 0.14s WALL ( 8955 calls) cdiaghg : 51.43s CPU 52.13s WALL ( 9288 calls) cegterg:over : 3.77s CPU 3.79s WALL ( 8955 calls) cegterg:upda : 2.70s CPU 2.78s WALL ( 8955 calls) cegterg:last : 1.54s CPU 1.61s WALL ( 1482 calls) cdiaghg:chol : 2.70s CPU 2.81s WALL ( 9288 calls) cdiaghg:inve : 1.64s CPU 1.68s WALL ( 9288 calls) cdiaghg:para : 2.93s CPU 3.03s WALL ( 18576 calls) Called by h_psi: h_psi:vloc : 65.46s CPU 66.71s WALL ( 9865 calls) h_psi:vnl : 9.50s CPU 9.46s WALL ( 9865 calls) add_vuspsi : 5.26s CPU 5.29s WALL ( 9865 calls) General routines calbec : 4.22s CPU 4.15s WALL ( 9865 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.48s CPU 60.47s WALL ( 805448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.11s WALL ( 666 calls) Parallel routines fft_scatter : 20.71s CPU 21.15s WALL ( 805471 calls) PWSCF : 2m35.60s CPU 2m48.65s WALL This run was terminated on: 19:35:11 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=