Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:48 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: ./Li2HgGe.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 58 57 16 1767 1730 257 Max 61 58 17 1768 1748 260 Sum 2107 2077 583 63615 62583 9305 bravais-lattice index = 14 lattice parameter (alat) = 8.5639 a.u. unit-cell volume = 444.1272 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.563950 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Hg 12.00 200.59000 Hg( 1.00) Li 3.00 6.94100 Li( 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= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030211 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030211 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030211 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030211 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030211 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030211 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030211 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030211 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030211 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030211 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030211 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030211 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030211 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030211 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030211 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030211 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030211 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030211 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030211 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030211 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030211 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030211 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030211 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030211 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030211 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030211 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030211 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030211 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030211 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030211 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030211 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030211 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030211 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030211 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030211 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030211 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030211 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030211 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030211 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030211 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030211 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030211 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030211 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030211 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030211 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030211 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030211 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030211 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030211 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030211 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030211 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030211 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030211 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030211 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030211 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030211 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030211 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030211 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030211 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030211 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030211 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030211 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030211 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030211 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030211 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030211 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030211 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030211 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030211 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030211 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030211 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030211 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030211 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030211 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030211 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030211 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030211 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030211 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030211 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030211 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030211 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030211 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030211 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030211 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030211 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030211 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030211 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030211 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030211 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030211 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030211 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030211 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030211 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030211 k( 98) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030211 k( 99) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030211 k( 100) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030211 k( 101) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030211 k( 102) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030211 k( 103) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030211 k( 104) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030211 k( 105) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030211 k( 106) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030211 k( 107) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030211 k( 108) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030211 k( 109) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030211 k( 110) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030211 k( 111) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030211 k( 112) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030211 k( 113) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030211 k( 114) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030211 k( 115) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030211 k( 116) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030211 k( 117) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030211 k( 118) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030211 k( 119) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030211 k( 120) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030211 k( 121) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030211 k( 122) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030211 k( 123) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030211 k( 124) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030211 k( 125) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030211 k( 126) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030211 k( 127) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030211 k( 128) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030211 k( 129) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030211 k( 130) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030211 k( 131) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030211 k( 132) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030211 k( 133) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030211 k( 134) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030211 k( 135) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030211 k( 136) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030211 k( 137) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030211 k( 138) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030211 k( 139) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030211 k( 140) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030211 k( 141) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030211 k( 142) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030211 k( 143) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030211 k( 144) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030211 k( 145) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030211 k( 146) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030211 k( 147) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030211 k( 148) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 151) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030211 k( 152) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030211 k( 153) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030211 k( 154) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030211 k( 155) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030211 k( 156) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030211 k( 157) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030211 k( 158) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030211 k( 159) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030211 k( 160) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030211 k( 161) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030211 k( 162) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030211 k( 163) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030211 k( 164) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030211 k( 165) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030211 k( 166) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030211 k( 167) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030211 k( 168) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030211 k( 169) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030211 k( 170) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030211 k( 171) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030211 k( 172) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030211 k( 173) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030211 k( 174) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030211 k( 175) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030211 k( 176) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030211 k( 177) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030211 k( 178) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030211 k( 179) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030211 k( 180) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030211 k( 181) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030211 k( 182) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030211 k( 183) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030211 k( 184) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030211 k( 185) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030211 k( 186) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030211 k( 187) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030211 k( 188) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030211 k( 189) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030211 k( 190) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030211 k( 191) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030211 k( 192) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030211 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 195) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030211 k( 196) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030211 k( 197) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030211 k( 198) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030211 k( 199) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030211 k( 200) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030211 k( 201) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030211 k( 202) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030211 k( 203) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030211 k( 204) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030211 k( 205) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030211 k( 206) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030211 k( 207) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030211 k( 208) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030211 k( 209) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030211 k( 210) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030211 k( 211) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030211 k( 212) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030211 k( 213) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030211 k( 214) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030211 k( 215) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030211 k( 216) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030211 k( 217) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030211 k( 218) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030211 k( 219) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030211 k( 220) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030211 k( 221) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030211 k( 222) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030211 k( 223) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030211 k( 224) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030211 k( 225) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030211 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030211 k( 227) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030211 k( 228) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030211 k( 229) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030211 k( 230) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030211 k( 231) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030211 k( 232) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030211 k( 233) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030211 k( 234) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030211 k( 235) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030211 k( 236) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030211 k( 237) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030211 k( 238) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030211 k( 239) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030211 k( 240) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030211 k( 241) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030211 k( 242) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030211 k( 243) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030211 k( 244) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 246) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030211 k( 247) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030211 k( 248) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030211 k( 249) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030211 k( 250) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030211 k( 251) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030211 k( 252) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030211 k( 253) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030211 k( 254) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030211 k( 255) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030211 k( 256) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030211 k( 257) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030211 k( 258) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030211 k( 259) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030211 k( 260) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030211 k( 261) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030211 k( 262) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030211 k( 263) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030211 k( 264) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030211 k( 265) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030211 k( 266) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030211 k( 267) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030211 k( 268) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030211 k( 269) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030211 k( 270) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030211 k( 271) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030211 k( 272) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030211 k( 273) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030211 k( 274) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030211 k( 275) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030211 k( 276) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030211 k( 277) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030211 k( 278) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030211 k( 279) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030211 k( 280) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 281) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 282) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030211 k( 283) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030211 k( 284) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030211 k( 285) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030211 k( 286) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030211 k( 287) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030211 k( 288) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030211 k( 289) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030211 k( 290) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030211 k( 291) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030211 k( 292) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030211 k( 293) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030211 k( 294) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030211 k( 295) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030211 k( 296) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030211 k( 297) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030211 k( 298) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030211 k( 299) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030211 k( 300) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030211 k( 301) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030211 k( 302) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030211 k( 303) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030211 k( 304) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030211 k( 305) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030211 k( 306) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030211 k( 307) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030211 k( 308) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030211 k( 309) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030211 k( 310) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030211 k( 311) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030211 k( 312) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030211 k( 313) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030211 k( 314) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030211 k( 315) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030211 k( 316) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030211 k( 317) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030211 k( 318) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030211 k( 319) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030211 k( 320) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030211 k( 321) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030211 k( 322) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030211 k( 323) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030211 k( 324) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030211 k( 325) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030211 k( 326) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030211 k( 327) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030211 k( 328) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030211 k( 329) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030211 k( 330) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030211 k( 331) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 0.0000000 0.0100000), wk = 0.0030211 k( 3) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0030211 k( 4) = ( 0.0300000 0.0000000 0.0300000), wk = 0.0030211 k( 5) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0030211 k( 6) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0030211 k( 7) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0030211 k( 8) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0030211 k( 9) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0030211 k( 10) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0030211 k( 11) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0030211 k( 12) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0030211 k( 13) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0030211 k( 14) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0030211 k( 15) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0030211 k( 16) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0030211 k( 17) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0030211 k( 18) = ( 0.1700000 0.0000000 0.1700000), wk = 0.0030211 k( 19) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0030211 k( 20) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0030211 k( 21) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0030211 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0030211 k( 23) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0030211 k( 24) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0030211 k( 25) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0030211 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030211 k( 27) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0030211 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0030211 k( 29) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0030211 k( 30) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0030211 k( 31) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0030211 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0030211 k( 33) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0030211 k( 34) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0030211 k( 35) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0030211 k( 36) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0030211 k( 37) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0030211 k( 38) = ( 0.3700000 0.0000000 0.3700000), wk = 0.0030211 k( 39) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0030211 k( 40) = ( 0.3900000 0.0000000 0.3900000), wk = 0.0030211 k( 41) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0030211 k( 42) = ( 0.4100000 0.0000000 0.4100000), wk = 0.0030211 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0030211 k( 44) = ( 0.4300000 0.0000000 0.4300000), wk = 0.0030211 k( 45) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0030211 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0030211 k( 47) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0030211 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0030211 k( 49) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0030211 k( 50) = ( 0.4900000 0.0000000 0.4900000), wk = 0.0030211 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030211 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030211 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030211 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030211 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030211 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030211 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030211 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030211 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030211 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030211 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030211 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030211 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030211 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030211 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030211 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030211 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030211 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030211 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030211 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030211 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030211 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030211 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030211 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030211 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030211 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030211 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030211 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030211 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030211 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030211 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030211 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030211 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030211 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030211 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030211 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030211 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030211 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030211 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030211 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030211 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030211 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030211 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030211 k( 98) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030211 k( 99) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030211 k( 100) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030211 k( 101) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030211 k( 102) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030211 k( 103) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030211 k( 104) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030211 k( 105) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030211 k( 106) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030211 k( 107) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030211 k( 108) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030211 k( 109) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030211 k( 110) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030211 k( 111) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030211 k( 112) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030211 k( 113) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030211 k( 114) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030211 k( 115) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030211 k( 116) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030211 k( 117) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030211 k( 118) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030211 k( 119) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030211 k( 120) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030211 k( 121) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030211 k( 122) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030211 k( 123) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030211 k( 124) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030211 k( 125) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030211 k( 126) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030211 k( 127) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030211 k( 128) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030211 k( 129) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030211 k( 130) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030211 k( 131) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030211 k( 132) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030211 k( 133) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030211 k( 134) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030211 k( 135) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030211 k( 136) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030211 k( 137) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030211 k( 138) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030211 k( 139) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030211 k( 140) = ( 0.0649038 0.0649039 0.1298077), wk = 0.0030211 k( 141) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030211 k( 142) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030211 k( 143) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030211 k( 144) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030211 k( 145) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030211 k( 146) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030211 k( 147) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0030211 k( 148) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 151) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030211 k( 152) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030211 k( 153) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030211 k( 154) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030211 k( 155) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030211 k( 156) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030211 k( 157) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030211 k( 158) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030211 k( 159) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030211 k( 160) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030211 k( 161) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030211 k( 162) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030211 k( 163) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030211 k( 164) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030211 k( 165) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030211 k( 166) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030211 k( 167) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030211 k( 168) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030211 k( 169) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030211 k( 170) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030211 k( 171) = ( 0.2441860 0.2441860 0.2441861), wk = 0.0030211 k( 172) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030211 k( 173) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030211 k( 174) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030211 k( 175) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030211 k( 176) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030211 k( 177) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030211 k( 178) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030211 k( 179) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030211 k( 180) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030211 k( 181) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030211 k( 182) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030211 k( 183) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030211 k( 184) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030211 k( 185) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030211 k( 186) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030211 k( 187) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030211 k( 188) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030211 k( 189) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030211 k( 190) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030211 k( 191) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030211 k( 192) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030211 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 195) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030211 k( 196) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030211 k( 197) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0030211 k( 198) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030211 k( 199) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030211 k( 200) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030211 k( 201) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030211 k( 202) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030211 k( 203) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030211 k( 204) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030211 k( 205) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030211 k( 206) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030211 k( 207) = ( 0.5524193 0.3951613 0.5524194), wk = 0.0030211 k( 208) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030211 k( 209) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030211 k( 210) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030211 k( 211) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030211 k( 212) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030211 k( 213) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030211 k( 214) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030211 k( 215) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030211 k( 216) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0030211 k( 217) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030211 k( 218) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030211 k( 219) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030211 k( 220) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030211 k( 221) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030211 k( 222) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0030211 k( 223) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030211 k( 224) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030211 k( 225) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030211 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030211 k( 227) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030211 k( 228) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030211 k( 229) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030211 k( 230) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030211 k( 231) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030211 k( 232) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030211 k( 233) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030211 k( 234) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030211 k( 235) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030211 k( 236) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030211 k( 237) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030211 k( 238) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030211 k( 239) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030211 k( 240) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030211 k( 241) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030211 k( 242) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030211 k( 243) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030211 k( 244) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 246) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030211 k( 247) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030211 k( 248) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030211 k( 249) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030211 k( 250) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030211 k( 251) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030211 k( 252) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030211 k( 253) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030211 k( 254) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030211 k( 255) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030211 k( 256) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030211 k( 257) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030211 k( 258) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030211 k( 259) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030211 k( 260) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030211 k( 261) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030211 k( 262) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030211 k( 263) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030211 k( 264) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030211 k( 265) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030211 k( 266) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030211 k( 267) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030211 k( 268) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030211 k( 269) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030211 k( 270) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030211 k( 271) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030211 k( 272) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030211 k( 273) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030211 k( 274) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030211 k( 275) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030211 k( 276) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030211 k( 277) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030211 k( 278) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030211 k( 279) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030211 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 282) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030211 k( 283) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030211 k( 284) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030211 k( 285) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030211 k( 286) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030211 k( 287) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030211 k( 288) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030211 k( 289) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030211 k( 290) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030211 k( 291) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030211 k( 292) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030211 k( 293) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030211 k( 294) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030211 k( 295) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030211 k( 296) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030211 k( 297) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030211 k( 298) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030211 k( 299) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030211 k( 300) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030211 k( 301) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030211 k( 302) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030211 k( 303) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030211 k( 304) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030211 k( 305) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030211 k( 306) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0030211 k( 307) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030211 k( 308) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030211 k( 309) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030211 k( 310) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030211 k( 311) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030211 k( 312) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030211 k( 313) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030211 k( 314) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030211 k( 315) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030211 k( 316) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030211 k( 317) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030211 k( 318) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030211 k( 319) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030211 k( 320) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030211 k( 321) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030211 k( 322) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030211 k( 323) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030211 k( 324) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030211 k( 325) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030211 k( 326) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030211 k( 327) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030211 k( 328) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030211 k( 329) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030211 k( 330) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030211 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 Dense grid: 63615 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 62583 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 450, 30) NL pseudopotentials 0.26 Mb ( 225, 76) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1768) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 450, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.07 Mb ( 76, 2, 30) The potential is recalculated from file : ./Li2HgGe.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 10.0 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.1 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.5 secs Computing kpt #: 34 total cpu time spent up to now is 21.1 secs Computing kpt #: 35 total cpu time spent up to now is 21.6 secs Computing kpt #: 36 total cpu time spent up to now is 22.1 secs Computing kpt #: 37 total cpu time spent up to now is 22.6 secs Computing kpt #: 38 total cpu time spent up to now is 23.1 secs Computing kpt #: 39 total cpu time spent up to now is 23.6 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.5 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.4 secs Computing kpt #: 46 total cpu time spent up to now is 26.8 secs Computing kpt #: 47 total cpu time spent up to now is 27.2 secs Computing kpt #: 48 total cpu time spent up to now is 27.6 secs Computing kpt #: 49 total cpu time spent up to now is 28.0 secs Computing kpt #: 50 total cpu time spent up to now is 28.4 secs Computing kpt #: 51 total cpu time spent up to now is 28.8 secs Computing kpt #: 52 total cpu time spent up to now is 29.2 secs Computing kpt #: 53 total cpu time spent up to now is 29.6 secs Computing kpt #: 54 total cpu time spent up to now is 30.0 secs Computing kpt #: 55 total cpu time spent up to now is 30.5 secs Computing kpt #: 56 total cpu time spent up to now is 30.9 secs Computing kpt #: 57 total cpu time spent up to now is 31.3 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 32.3 secs Computing kpt #: 60 total cpu time spent up to now is 32.8 secs Computing kpt #: 61 total cpu time spent up to now is 33.2 secs Computing kpt #: 62 total cpu time spent up to now is 33.8 secs Computing kpt #: 63 total cpu time spent up to now is 34.3 secs Computing kpt #: 64 total cpu time spent up to now is 34.8 secs Computing kpt #: 65 total cpu time spent up to now is 35.3 secs Computing kpt #: 66 total cpu time spent up to now is 35.8 secs Computing kpt #: 67 total cpu time spent up to now is 36.3 secs Computing kpt #: 68 total cpu time spent up to now is 36.8 secs Computing kpt #: 69 total cpu time spent up to now is 37.3 secs Computing kpt #: 70 total cpu time spent up to now is 37.8 secs Computing kpt #: 71 total cpu time spent up to now is 38.2 secs Computing kpt #: 72 total cpu time spent up to now is 38.6 secs Computing kpt #: 73 total cpu time spent up to now is 39.0 secs Computing kpt #: 74 total cpu time spent up to now is 39.5 secs Computing kpt #: 75 total cpu time spent up to now is 39.9 secs Computing kpt #: 76 total cpu time spent up to now is 40.3 secs Computing kpt #: 77 total cpu time spent up to now is 40.8 secs Computing kpt #: 78 total cpu time spent up to now is 41.2 secs Computing kpt #: 79 total cpu time spent up to now is 41.6 secs Computing kpt #: 80 total cpu time spent up to now is 42.0 secs Computing kpt #: 81 total cpu time spent up to now is 42.5 secs Computing kpt #: 82 total cpu time spent up to now is 42.9 secs Computing kpt #: 83 total cpu time spent up to now is 43.3 secs Computing kpt #: 84 total cpu time spent up to now is 43.7 secs Computing kpt #: 85 total cpu time spent up to now is 44.2 secs Computing kpt #: 86 total cpu time spent up to now is 44.6 secs Computing kpt #: 87 total cpu time spent up to now is 45.1 secs Computing kpt #: 88 total cpu time spent up to now is 45.6 secs Computing kpt #: 89 total cpu time spent up to now is 46.1 secs Computing kpt #: 90 total cpu time spent up to now is 46.6 secs Computing kpt #: 91 total cpu time spent up to now is 47.1 secs Computing kpt #: 92 total cpu time spent up to now is 47.6 secs Computing kpt #: 93 total cpu time spent up to now is 48.1 secs Computing kpt #: 94 total cpu time spent up to now is 48.6 secs Computing kpt #: 95 total cpu time spent up to now is 49.1 secs Computing kpt #: 96 total cpu time spent up to now is 49.5 secs Computing kpt #: 97 total cpu time spent up to now is 50.0 secs Computing kpt #: 98 total cpu time spent up to now is 50.5 secs Computing kpt #: 99 total cpu time spent up to now is 50.9 secs Computing kpt #: 100 total cpu time spent up to now is 51.3 secs Computing kpt #: 101 total cpu time spent up to now is 51.8 secs Computing kpt #: 102 total cpu time spent up to now is 52.3 secs Computing kpt #: 103 total cpu time spent up to now is 52.8 secs Computing kpt #: 104 total cpu time spent up to now is 53.4 secs Computing kpt #: 105 total cpu time spent up to now is 54.0 secs Computing kpt #: 106 total cpu time spent up to now is 54.5 secs Computing kpt #: 107 total cpu time spent up to now is 55.1 secs Computing kpt #: 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up to now is 63.8 secs Computing kpt #: 124 total cpu time spent up to now is 64.3 secs Computing kpt #: 125 total cpu time spent up to now is 64.8 secs Computing kpt #: 126 total cpu time spent up to now is 65.3 secs Computing kpt #: 127 total cpu time spent up to now is 65.8 secs Computing kpt #: 128 total cpu time spent up to now is 66.3 secs Computing kpt #: 129 total cpu time spent up to now is 66.8 secs Computing kpt #: 130 total cpu time spent up to now is 67.3 secs Computing kpt #: 131 total cpu time spent up to now is 67.8 secs Computing kpt #: 132 total cpu time spent up to now is 68.3 secs Computing kpt #: 133 total cpu time spent up to now is 68.8 secs Computing kpt #: 134 total cpu time spent up to now is 69.3 secs Computing kpt #: 135 total cpu time spent up to now is 69.9 secs Computing kpt #: 136 total cpu time spent up to now is 70.4 secs Computing kpt #: 137 total cpu time spent up to now is 70.9 secs Computing kpt #: 138 total cpu time spent up to now is 71.5 secs Computing kpt #: 139 total cpu time spent up to now is 72.1 secs Computing kpt #: 140 total cpu time spent up to now is 72.7 secs Computing kpt #: 141 total cpu time spent up to now is 73.3 secs Computing kpt #: 142 total cpu time spent up to now is 73.9 secs Computing kpt #: 143 total cpu time spent up to now is 74.5 secs Computing kpt #: 144 total cpu time spent up to now is 75.0 secs Computing kpt #: 145 total cpu time spent up to now is 75.5 secs Computing kpt #: 146 total cpu time spent up to now is 76.0 secs Computing kpt #: 147 total cpu time spent up to now is 76.5 secs Computing kpt #: 148 total cpu time spent up to now is 77.0 secs Computing kpt #: 149 total cpu time spent up to now is 77.5 secs Computing kpt #: 150 total cpu time spent up to now is 78.1 secs Computing kpt #: 151 total cpu time spent up to now is 78.6 secs Computing kpt #: 152 total cpu time spent up to now is 79.0 secs Computing kpt #: 153 total cpu time spent up to now is 79.7 secs Computing kpt #: 154 total cpu time spent up to now is 80.2 secs Computing kpt #: 155 total cpu time spent up to now is 80.8 secs Computing kpt #: 156 total cpu time spent up to now is 81.3 secs Computing kpt #: 157 total cpu time spent up to now is 81.9 secs Computing kpt #: 158 total cpu time spent up to now is 82.4 secs Computing kpt #: 159 total cpu time spent up to now is 82.9 secs Computing kpt #: 160 total cpu time spent up to now is 83.4 secs Computing kpt #: 161 total cpu time spent up to now is 83.9 secs Computing kpt #: 162 total cpu time spent up to now is 84.4 secs Computing kpt #: 163 total cpu time spent up to now is 84.8 secs Computing kpt #: 164 total cpu time spent up to now is 85.3 secs Computing kpt #: 165 total cpu time spent up to now is 85.7 secs Computing kpt #: 166 total cpu time spent up to now is 86.1 secs Computing kpt #: 167 total cpu time spent up to now is 86.6 secs Computing kpt #: 168 total cpu time spent up to now is 87.0 secs Computing kpt #: 169 total cpu time spent up to now is 87.4 secs Computing kpt #: 170 total cpu time spent up to now is 87.8 secs Computing kpt #: 171 total cpu time spent up to now is 88.2 secs Computing kpt #: 172 total cpu time spent up to now is 88.6 secs Computing kpt #: 173 total cpu time spent up to now is 89.0 secs Computing kpt #: 174 total cpu time spent up to now is 89.4 secs Computing kpt #: 175 total cpu time spent up to now is 89.8 secs Computing kpt #: 176 total cpu time spent up to now is 90.2 secs Computing kpt #: 177 total cpu time spent up to now is 90.5 secs Computing kpt #: 178 total cpu time spent up to now is 90.9 secs Computing kpt #: 179 total cpu time spent up to now is 91.3 secs Computing kpt #: 180 total cpu time spent up to now is 91.7 secs Computing kpt #: 181 total cpu time spent up to now is 92.1 secs Computing kpt #: 182 total cpu time spent up to now is 92.5 secs Computing kpt #: 183 total cpu time spent up to now is 92.9 secs Computing kpt #: 184 total cpu time spent up to now is 93.3 secs Computing kpt #: 185 total cpu time spent up to now is 93.6 secs Computing kpt #: 186 total cpu time spent up to now is 94.0 secs Computing kpt #: 187 total cpu time spent up to now is 94.4 secs Computing kpt #: 188 total cpu time spent up to now is 94.8 secs Computing kpt #: 189 total cpu time spent up to now is 95.2 secs Computing kpt #: 190 total cpu time spent up to now is 95.5 secs Computing kpt #: 191 total cpu time spent up to now is 95.9 secs Computing kpt #: 192 total cpu time spent up to now is 96.3 secs Computing kpt #: 193 total cpu time spent up to now is 96.7 secs Computing kpt #: 194 total cpu time spent up to now is 97.0 secs Computing kpt #: 195 total cpu time spent up to now is 97.4 secs Computing kpt #: 196 total cpu time spent up to now is 97.8 secs Computing kpt #: 197 total cpu time spent up to now is 98.2 secs Computing kpt #: 198 total cpu time spent up to now is 98.6 secs Computing kpt #: 199 total cpu time spent up to now is 98.9 secs Computing kpt #: 200 total cpu time spent up to now is 99.4 secs Computing kpt #: 201 total cpu time spent up to now is 99.7 secs Computing kpt #: 202 total cpu time spent up to now is 100.1 secs Computing kpt #: 203 total cpu time spent up to now is 100.5 secs Computing kpt #: 204 total cpu time spent up to now is 100.9 secs Computing kpt #: 205 total cpu time spent up to now is 101.3 secs Computing kpt #: 206 total cpu time spent up to now is 101.7 secs Computing kpt #: 207 total cpu time spent up to now is 102.2 secs Computing kpt #: 208 total cpu time spent up to now is 102.6 secs Computing kpt #: 209 total cpu time spent up to now is 103.0 secs Computing kpt #: 210 total cpu time spent up to now is 103.4 secs Computing kpt #: 211 total cpu time spent up to now is 103.8 secs Computing kpt #: 212 total cpu time spent up to now is 104.2 secs Computing kpt #: 213 total cpu time spent up to now is 104.7 secs Computing kpt #: 214 total cpu time spent up to now is 105.1 secs Computing kpt #: 215 total cpu time spent up to now is 105.6 secs Computing kpt #: 216 total cpu time spent up to now is 106.0 secs Computing kpt #: 217 total cpu time spent up to now is 106.4 secs Computing kpt #: 218 total cpu time spent up to now is 106.9 secs Computing kpt #: 219 total cpu time spent up to now is 107.3 secs Computing kpt #: 220 total cpu time spent up to now is 107.8 secs Computing kpt #: 221 total cpu time spent up to now is 108.2 secs Computing kpt #: 222 total cpu time spent up to now is 108.7 secs Computing kpt #: 223 total cpu time spent up to now is 109.1 secs Computing kpt #: 224 total cpu time spent up to now is 109.6 secs Computing kpt #: 225 total cpu time spent up to now is 110.1 secs Computing kpt #: 226 total cpu time spent up to now is 110.5 secs Computing kpt #: 227 total cpu time spent up to now is 111.6 secs Computing kpt #: 228 total cpu time spent up to now is 112.1 secs Computing kpt #: 229 total cpu time spent up to now is 112.6 secs Computing kpt #: 230 total cpu time spent up to now is 113.1 secs Computing kpt #: 231 total cpu time spent up to now is 113.6 secs Computing kpt #: 232 total cpu time spent up to now is 114.1 secs Computing kpt #: 233 total cpu time spent up to now is 114.7 secs Computing kpt #: 234 total cpu time spent up to now is 115.2 secs Computing kpt #: 235 total cpu time spent up to now is 115.7 secs Computing kpt #: 236 total cpu time spent up to now is 116.2 secs Computing kpt #: 237 total cpu time spent up to now is 116.6 secs Computing kpt #: 238 total cpu time spent up to now is 117.0 secs Computing kpt #: 239 total cpu time spent up to now is 117.5 secs Computing kpt #: 240 total cpu time spent up to now is 117.9 secs Computing kpt #: 241 total cpu time spent up to now is 118.3 secs Computing kpt #: 242 total cpu time spent up to now is 118.8 secs Computing kpt #: 243 total cpu time spent up to now is 119.2 secs Computing kpt #: 244 total cpu time spent up to now is 119.6 secs Computing kpt #: 245 total cpu time spent up to now is 120.0 secs Computing kpt #: 246 total cpu time spent up to now is 120.4 secs Computing kpt #: 247 total cpu time spent up to now is 120.9 secs Computing kpt #: 248 total cpu time spent up to now is 121.3 secs Computing kpt #: 249 total cpu time spent up to now is 121.7 secs Computing kpt #: 250 total cpu time spent up to now is 122.1 secs Computing kpt #: 251 total cpu time spent up to now is 122.6 secs Computing kpt #: 252 total cpu time spent up to now is 123.1 secs Computing kpt #: 253 total cpu time spent up to now is 123.6 secs Computing kpt #: 254 total cpu time spent up to now is 124.1 secs Computing kpt #: 255 total cpu time spent up to now is 124.5 secs Computing kpt #: 256 total cpu time spent up to now is 125.0 secs Computing kpt #: 257 total cpu time spent up to now is 125.5 secs Computing kpt #: 258 total cpu time spent up to now is 125.9 secs Computing kpt #: 259 total cpu time spent up to now is 126.4 secs Computing kpt #: 260 total cpu time spent up to now is 126.8 secs Computing kpt #: 261 total cpu time spent up to now is 127.2 secs Computing kpt #: 262 total cpu time spent up to now is 127.6 secs Computing kpt #: 263 total cpu time spent up to now is 128.1 secs Computing kpt #: 264 total cpu time spent up to now is 128.5 secs Computing kpt #: 265 total cpu time spent up to now is 128.9 secs Computing kpt #: 266 total cpu time spent up to now is 129.3 secs Computing kpt #: 267 total cpu time spent up to now is 129.7 secs Computing kpt #: 268 total cpu time spent up to now is 130.1 secs Computing kpt #: 269 total cpu time spent up to now is 130.5 secs Computing kpt #: 270 total cpu time spent up to now is 130.9 secs Computing kpt #: 271 total cpu time spent up to now is 131.3 secs Computing kpt #: 272 total cpu time spent up to now is 131.7 secs Computing kpt #: 273 total cpu time spent up to now is 132.1 secs Computing kpt #: 274 total cpu time spent up to now is 132.5 secs Computing kpt #: 275 total cpu time spent up to now is 132.8 secs Computing kpt #: 276 total cpu time spent up to now is 133.3 secs Computing kpt #: 277 total cpu time spent up to now is 133.6 secs Computing kpt #: 278 total cpu time spent up to now is 134.0 secs Computing kpt #: 279 total cpu time spent up to now is 134.4 secs Computing kpt #: 280 total cpu time spent up to now is 134.8 secs Computing kpt #: 281 total cpu time spent up to now is 135.1 secs Computing kpt #: 282 total cpu time spent up to now is 135.5 secs Computing kpt #: 283 total cpu time spent up to now is 135.9 secs Computing kpt #: 284 total cpu time spent up to now is 136.3 secs Computing kpt #: 285 total cpu time spent up to now is 136.7 secs Computing kpt #: 286 total cpu time spent up to now is 137.1 secs Computing kpt #: 287 total cpu time spent up to now is 137.4 secs Computing kpt #: 288 total cpu time spent up to now is 137.8 secs Computing kpt #: 289 total cpu time spent up to now is 138.2 secs Computing kpt #: 290 total cpu time spent up to now is 138.6 secs Computing kpt #: 291 total cpu time spent up to now is 139.1 secs Computing kpt #: 292 total cpu time spent up to now is 139.5 secs Computing kpt #: 293 total cpu time spent up to now is 139.9 secs Computing kpt #: 294 total cpu time spent up to now is 140.3 secs Computing kpt #: 295 total cpu time spent up to now is 140.7 secs Computing kpt #: 296 total cpu time spent up to now is 141.1 secs Computing kpt #: 297 total cpu time spent up to now is 141.5 secs Computing kpt #: 298 total cpu time spent up to now is 142.0 secs Computing kpt #: 299 total cpu time spent up to now is 142.4 secs Computing kpt #: 300 total cpu time spent up to now is 142.8 secs Computing kpt #: 301 total cpu time spent up to now is 143.3 secs Computing kpt #: 302 total cpu time spent up to now is 143.7 secs Computing kpt #: 303 total cpu time spent up to now is 144.1 secs Computing kpt #: 304 total cpu time spent up to now is 144.6 secs Computing kpt #: 305 total cpu time spent up to now is 145.0 secs Computing kpt #: 306 total cpu time spent up to now is 145.5 secs Computing kpt #: 307 total cpu time spent up to now is 146.3 secs Computing kpt #: 308 total cpu time spent up to now is 146.8 secs Computing kpt #: 309 total cpu time spent up to now is 147.2 secs Computing kpt #: 310 total cpu time spent up to now is 147.7 secs Computing kpt #: 311 total cpu time spent up to now is 148.1 secs Computing kpt #: 312 total cpu time spent up to now is 148.5 secs Computing kpt #: 313 total cpu time spent up to now is 149.0 secs Computing kpt #: 314 total cpu time spent up to now is 149.5 secs Computing kpt #: 315 total cpu time spent up to now is 149.9 secs Computing kpt #: 316 total cpu time spent up to now is 150.3 secs Computing kpt #: 317 total cpu time spent up to now is 150.7 secs Computing kpt #: 318 total cpu time spent up to now is 151.2 secs Computing kpt #: 319 total cpu time spent up to now is 151.6 secs Computing kpt #: 320 total cpu time spent up to now is 152.0 secs Computing kpt #: 321 total cpu time spent up to now is 152.4 secs Computing kpt #: 322 total cpu time spent up to now is 152.8 secs Computing kpt #: 323 total cpu time spent up to now is 153.2 secs Computing kpt #: 324 total cpu time spent up to now is 153.6 secs Computing kpt #: 325 total cpu time spent up to now is 154.0 secs Computing kpt #: 326 total cpu time spent up to now is 154.4 secs Computing kpt #: 327 total cpu time spent up to now is 154.9 secs Computing kpt #: 328 total cpu time spent up to now is 155.3 secs Computing kpt #: 329 total cpu time spent up to now is 155.7 secs Computing kpt #: 330 total cpu time spent up to now is 156.1 secs Computing kpt #: 331 total cpu time spent up to now is 156.5 secs ethr = 4.55E-08, avg # of iterations = 22.1 total cpu time spent up to now is 156.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2665 -2.2665 -0.8036 -0.8036 -0.8036 -0.8036 0.8798 0.8798 1.0081 1.0081 1.0081 1.0081 5.9624 5.9624 7.3472 7.3472 7.8061 7.8061 7.8061 7.8061 11.5469 11.5469 11.5469 11.5469 11.6117 11.6117 k = 0.0100-0.0058 0.0082 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2653 -2.2653 -0.8036 -0.8036 -0.8035 -0.8035 0.8799 0.8799 1.0078 1.0078 1.0081 1.0081 5.9511 5.9511 7.3503 7.3503 7.8027 7.8027 7.8137 7.8137 11.5105 11.5105 11.5471 11.5471 11.6492 11.6492 k = 0.0200-0.0115 0.0163 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2619 -2.2619 -0.8036 -0.8036 -0.8034 -0.8034 0.8803 0.8803 1.0071 1.0071 1.0084 1.0084 5.9182 5.9182 7.3572 7.3572 7.7925 7.7925 7.8378 7.8378 11.4557 11.4557 11.5479 11.5479 11.7062 11.7062 k = 0.0300-0.0173 0.0245 ( 7803 PWs) bands (ev): -38.5350 -38.5350 -38.5228 -38.5228 -2.2562 -2.2562 -0.8036 -0.8036 -0.8031 -0.8031 0.8809 0.8809 1.0059 1.0059 1.0088 1.0088 5.8670 5.8670 7.3623 7.3623 7.7756 7.7756 7.8808 7.8808 11.4012 11.4012 11.5494 11.5494 11.7285 11.7285 k = 0.0400-0.0231 0.0327 ( 7803 PWs) bands (ev): -38.5350 -38.5350 -38.5228 -38.5228 -2.2483 -2.2483 -0.8035 -0.8035 -0.8028 -0.8028 0.8818 0.8818 1.0042 1.0042 1.0093 1.0093 5.8014 5.8014 7.3600 7.3600 7.7523 7.7523 7.9444 7.9444 11.3482 11.3482 11.5517 11.5517 11.7248 11.7248 k = 0.0500-0.0289 0.0408 ( 7807 PWs) bands (ev): -38.5350 -38.5350 -38.5229 -38.5229 -2.2382 -2.2382 -0.8034 -0.8034 -0.8023 -0.8023 0.8829 0.8829 1.0021 1.0021 1.0101 1.0101 5.7253 5.7253 7.3474 7.3474 7.7227 7.7227 8.0275 8.0275 11.2962 11.2962 11.5550 11.5550 11.7215 11.7215 k = 0.0600-0.0346 0.0490 ( 7807 PWs) bands (ev): -38.5349 -38.5349 -38.5229 -38.5229 -2.2259 -2.2259 -0.8033 -0.8033 -0.8017 -0.8017 0.8843 0.8843 0.9996 0.9996 1.0110 1.0110 5.6421 5.6421 7.3240 7.3240 7.6872 7.6872 8.1270 8.1270 11.2431 11.2431 11.5597 11.5597 11.7194 11.7194 k = 0.0700-0.0404 0.0572 ( 7811 PWs) bands (ev): -38.5349 -38.5349 -38.5230 -38.5230 -2.2115 -2.2115 -0.8031 -0.8031 -0.8011 -0.8011 0.8859 0.8859 0.9968 0.9968 1.0120 1.0120 5.5542 5.5542 7.2909 7.2909 7.6461 7.6461 8.2388 8.2388 11.1865 11.1865 11.5658 11.5658 11.7190 11.7190 k = 0.0800-0.0462 0.0653 ( 7819 PWs) bands (ev): -38.5348 -38.5348 -38.5230 -38.5230 -2.1950 -2.1950 -0.8027 -0.8027 -0.8003 -0.8003 0.8878 0.8878 0.9936 0.9936 1.0133 1.0133 5.4638 5.4638 7.2495 7.2495 7.5998 7.5998 8.3589 8.3589 11.1227 11.1227 11.5735 11.5735 11.7210 11.7210 k = 0.0900-0.0520 0.0735 ( 7827 PWs) bands (ev): -38.5347 -38.5347 -38.5231 -38.5231 -2.1766 -2.1766 -0.8023 -0.8023 -0.7994 -0.7994 0.8899 0.8899 0.9902 0.9902 1.0146 1.0146 5.3724 5.3724 7.2011 7.2011 7.5488 7.5488 8.4832 8.4832 11.0488 11.0488 11.5828 11.5828 11.7188 11.7188 k = 0.1000-0.0577 0.0816 ( 7819 PWs) bands (ev): -38.5347 -38.5347 -38.5232 -38.5232 -2.1562 -2.1562 -0.8016 -0.8016 -0.7985 -0.7985 0.8922 0.8922 0.9866 0.9866 1.0162 1.0162 5.2810 5.2810 7.1468 7.1468 7.4934 7.4934 8.6076 8.6076 10.9639 10.9639 11.5933 11.5933 11.6760 11.6760 k = 0.1100-0.0635 0.0898 ( 7811 PWs) bands (ev): -38.5346 -38.5346 -38.5232 -38.5232 -2.1340 -2.1340 -0.8007 -0.8007 -0.7975 -0.7975 0.8947 0.8947 0.9828 0.9828 1.0179 1.0179 5.1905 5.1905 7.0876 7.0876 7.4342 7.4342 8.7268 8.7268 10.8713 10.8713 11.6046 11.6046 11.6453 11.6453 k = 0.1200-0.0693 0.0980 ( 7811 PWs) bands (ev): -38.5345 -38.5345 -38.5233 -38.5233 -2.1102 -2.1102 -0.7995 -0.7995 -0.7963 -0.7963 0.8975 0.8975 0.9791 0.9791 1.0199 1.0199 5.1016 5.1016 7.0241 7.0241 7.3715 7.3715 8.8346 8.8346 10.7786 10.7786 11.6161 11.6161 11.6287 11.6287 k = 0.1300-0.0751 0.1061 ( 7819 PWs) bands (ev): -38.5344 -38.5344 -38.5234 -38.5234 -2.0847 -2.0847 -0.7979 -0.7979 -0.7951 -0.7951 0.9005 0.9005 0.9753 0.9753 1.0219 1.0219 5.0147 5.0147 6.9572 6.9572 7.3059 7.3059 8.9222 8.9222 10.6970 10.6970 11.6258 11.6258 11.6272 11.6272 k = 0.1400-0.0808 0.1143 ( 7823 PWs) bands (ev): -38.5343 -38.5343 -38.5235 -38.5235 -2.0579 -2.0579 -0.7958 -0.7958 -0.7939 -0.7939 0.9036 0.9036 0.9717 0.9717 1.0242 1.0242 4.9301 4.9301 6.8875 6.8875 7.2376 7.2376 8.9792 8.9792 10.6399 10.6399 11.6349 11.6349 11.6377 11.6377 k = 0.1500-0.0866 0.1225 ( 7831 PWs) bands (ev): -38.5342 -38.5342 -38.5236 -38.5236 -2.0298 -2.0298 -0.7932 -0.7932 -0.7925 -0.7925 0.9070 0.9070 0.9683 0.9683 1.0267 1.0267 4.8481 4.8481 6.8154 6.8154 7.1673 7.1673 8.9953 8.9953 10.6199 10.6199 11.6474 11.6474 11.6546 11.6546 k = 0.1600-0.0924 0.1306 ( 7835 PWs) bands (ev): -38.5341 -38.5341 -38.5237 -38.5237 -2.0006 -2.0006 -0.7911 -0.7911 -0.7899 -0.7899 0.9105 0.9105 0.9653 0.9653 1.0293 1.0293 4.7689 4.7689 6.7415 6.7415 7.0952 7.0952 8.9647 8.9647 10.6444 10.6444 11.6564 11.6564 11.6838 11.6838 k = 0.1700-0.0981 0.1388 ( 7843 PWs) bands (ev): -38.5339 -38.5339 -38.5238 -38.5238 -1.9706 -1.9706 -0.7896 -0.7896 -0.7858 -0.7858 0.9141 0.9141 0.9628 0.9628 1.0322 1.0322 4.6927 4.6927 6.6663 6.6663 7.0218 7.0218 8.8897 8.8897 10.7125 10.7125 11.6649 11.6649 11.7215 11.7215 k = 0.1800-0.1039 0.1470 ( 7835 PWs) bands (ev): -38.5338 -38.5338 -38.5239 -38.5239 -1.9399 -1.9399 -0.7880 -0.7880 -0.7807 -0.7807 0.9179 0.9179 0.9609 0.9609 1.0352 1.0352 4.6195 4.6195 6.5901 6.5901 6.9474 6.9474 8.7783 8.7783 10.8166 10.8166 11.6731 11.6731 11.7673 11.7673 k = 0.1900-0.1097 0.1551 ( 7847 PWs) bands (ev): -38.5337 -38.5337 -38.5240 -38.5240 -1.9089 -1.9089 -0.7864 -0.7864 -0.7745 -0.7745 0.9219 0.9219 0.9597 0.9597 1.0384 1.0384 4.5494 4.5494 6.5133 6.5133 6.8723 6.8723 8.6402 8.6402 10.9475 10.9475 11.6810 11.6810 11.8211 11.8211 k = 0.2000-0.1155 0.1633 ( 7839 PWs) bands (ev): -38.5336 -38.5336 -38.5241 -38.5241 -1.8779 -1.8779 -0.7848 -0.7848 -0.7670 -0.7670 0.9259 0.9259 0.9594 0.9594 1.0419 1.0419 4.4825 4.4825 6.4363 6.4363 6.7969 6.7969 8.4834 8.4834 11.0968 11.0968 11.6888 11.6888 11.8831 11.8831 k = 0.2100-0.1212 0.1715 ( 7855 PWs) bands (ev): -38.5334 -38.5334 -38.5243 -38.5243 -1.8470 -1.8470 -0.7831 -0.7831 -0.7580 -0.7580 0.9300 0.9300 0.9602 0.9602 1.0456 1.0456 4.4187 4.4187 6.3593 6.3593 6.7214 6.7214 8.3141 8.3141 11.2575 11.2575 11.6965 11.6965 11.9540 11.9540 k = 0.2200-0.1270 0.1796 ( 7856 PWs) bands (ev): -38.5333 -38.5333 -38.5244 -38.5244 -1.8167 -1.8167 -0.7814 -0.7814 -0.7473 -0.7473 0.9341 0.9341 0.9622 0.9622 1.0494 1.0494 4.3580 4.3580 6.2826 6.2826 6.6462 6.6462 8.1363 8.1363 11.4237 11.4237 11.7042 11.7042 12.0356 12.0356 k = 0.2300-0.1328 0.1878 ( 7856 PWs) bands (ev): -38.5331 -38.5331 -38.5245 -38.5245 -1.7872 -1.7872 -0.7796 -0.7796 -0.7348 -0.7348 0.9383 0.9383 0.9655 0.9655 1.0536 1.0536 4.3005 4.3005 6.2065 6.2065 6.5715 6.5715 7.9531 7.9531 11.5898 11.5898 11.7118 11.7118 12.1303 12.1303 k = 0.2400-0.1386 0.1960 ( 7864 PWs) bands (ev): -38.5330 -38.5330 -38.5246 -38.5246 -1.7589 -1.7589 -0.7778 -0.7778 -0.7203 -0.7203 0.9424 0.9424 0.9705 0.9705 1.0579 1.0579 4.2460 4.2460 6.1312 6.1312 6.4975 6.4975 7.7666 7.7666 11.7193 11.7193 11.7497 11.7497 12.2420 12.2420 k = 0.2500-0.1443 0.2041 ( 7884 PWs) bands (ev): -38.5329 -38.5329 -38.5248 -38.5248 -1.7320 -1.7320 -0.7760 -0.7760 -0.7036 -0.7036 0.9466 0.9466 0.9771 0.9771 1.0624 1.0624 4.1946 4.1946 6.0568 6.0568 6.4245 6.4245 7.5782 7.5782 11.7268 11.7268 11.8980 11.8980 12.3744 12.3744 k = 0.2600-0.1501 0.2123 ( 7856 PWs) bands (ev): -38.5327 -38.5327 -38.5249 -38.5249 -1.7069 -1.7069 -0.7742 -0.7742 -0.6847 -0.6847 0.9507 0.9507 0.9857 0.9857 1.0672 1.0672 4.1461 4.1461 5.9836 5.9836 6.3526 6.3526 7.3892 7.3892 11.7342 11.7342 12.0320 12.0320 12.5287 12.5287 k = 0.2700-0.1559 0.2205 ( 7836 PWs) bands (ev): -38.5326 -38.5326 -38.5250 -38.5250 -1.6837 -1.6837 -0.7724 -0.7724 -0.6635 -0.6635 0.9547 0.9547 0.9965 0.9965 1.0722 1.0722 4.1006 4.1006 5.9117 5.9117 6.2822 6.2822 7.2005 7.2005 11.7416 11.7416 12.1533 12.1533 12.6632 12.6632 k = 0.2800-0.1617 0.2286 ( 7840 PWs) bands (ev): -38.5324 -38.5324 -38.5251 -38.5251 -1.6627 -1.6627 -0.7706 -0.7706 -0.6401 -0.6401 0.9586 0.9586 1.0096 1.0096 1.0774 1.0774 4.0579 4.0579 5.8411 5.8411 6.2133 6.2133 7.0128 7.0128 11.7488 11.7488 12.2655 12.2655 12.7569 12.7569 k = 0.2900-0.1674 0.2368 ( 7824 PWs) bands (ev): -38.5323 -38.5323 -38.5252 -38.5252 -1.6439 -1.6439 -0.7688 -0.7688 -0.6145 -0.6145 0.9624 0.9624 1.0252 1.0252 1.0827 1.0827 4.0179 4.0179 5.7720 5.7720 6.1461 6.1461 6.8268 6.8268 11.7559 11.7559 12.3726 12.3726 12.8539 12.8539 k = 0.3000-0.1732 0.2449 ( 7824 PWs) bands (ev): -38.5322 -38.5322 -38.5254 -38.5254 -1.6274 -1.6274 -0.7671 -0.7671 -0.5871 -0.5871 0.9661 0.9661 1.0435 1.0435 1.0882 1.0882 3.9807 3.9807 5.7042 5.7042 6.0809 6.0809 6.6431 6.6431 11.7629 11.7629 12.4769 12.4769 12.9540 12.9540 k = 0.3100-0.1790 0.2531 ( 7836 PWs) bands (ev): -38.5321 -38.5321 -38.5255 -38.5255 -1.6131 -1.6131 -0.7653 -0.7653 -0.5580 -0.5580 0.9696 0.9696 1.0648 1.0648 1.0939 1.0939 3.9462 3.9462 5.6377 5.6377 6.0178 6.0178 6.4625 6.4625 11.7697 11.7697 12.5803 12.5803 13.0572 13.0572 k = 0.3200-0.1848 0.2613 ( 7820 PWs) bands (ev): -38.5319 -38.5319 -38.5256 -38.5256 -1.6011 -1.6011 -0.7636 -0.7636 -0.5276 -0.5276 0.9730 0.9730 1.0891 1.0891 1.0996 1.0996 3.9142 3.9142 5.5722 5.5722 5.9569 5.9569 6.2858 6.2858 11.7763 11.7763 12.6835 12.6835 13.1631 13.1632 k = 0.3300-0.1905 0.2694 ( 7824 PWs) bands (ev): -38.5318 -38.5318 -38.5257 -38.5257 -1.5911 -1.5911 -0.7620 -0.7620 -0.4964 -0.4964 0.9762 0.9762 1.1054 1.1054 1.1167 1.1167 3.8848 3.8848 5.5071 5.5071 5.8985 5.8985 6.1141 6.1141 11.7826 11.7826 12.7871 12.7871 13.2717 13.2717 k = 0.3400-0.1963 0.2776 ( 7824 PWs) bands (ev): -38.5317 -38.5317 -38.5258 -38.5258 -1.5830 -1.5830 -0.7604 -0.7604 -0.4647 -0.4647 0.9793 0.9793 1.1112 1.1112 1.1475 1.1475 3.8579 3.8579 5.4413 5.4413 5.8425 5.8425 5.9490 5.9490 11.7888 11.7888 12.8911 12.8911 13.3827 13.3827 k = 0.3500-0.2021 0.2858 ( 7840 PWs) bands (ev): -38.5316 -38.5316 -38.5259 -38.5259 -1.5767 -1.5767 -0.7588 -0.7588 -0.4330 -0.4330 0.9822 0.9822 1.1170 1.1170 1.1817 1.1817 3.8334 3.8334 5.3724 5.3724 5.7892 5.7892 5.7932 5.7932 11.7947 11.7947 12.9958 12.9958 13.4959 13.4959 k = 0.3600-0.2078 0.2939 ( 7848 PWs) bands (ev): -38.5315 -38.5315 -38.5260 -38.5260 -1.5718 -1.5718 -0.7574 -0.7574 -0.4017 -0.4017 0.9848 0.9848 1.1227 1.1227 1.2192 1.2192 3.8114 3.8114 5.2967 5.2967 5.6511 5.6511 5.7387 5.7387 11.8003 11.8003 13.1007 13.1007 13.6110 13.6110 k = 0.3700-0.2136 0.3021 ( 7836 PWs) bands (ev): -38.5314 -38.5314 -38.5261 -38.5261 -1.5683 -1.5683 -0.7559 -0.7559 -0.3712 -0.3712 0.9873 0.9873 1.1284 1.1284 1.2599 1.2599 3.7919 3.7919 5.2084 5.2084 5.5289 5.5289 5.6911 5.6911 11.8056 11.8056 13.2058 13.2058 13.7276 13.7276 k = 0.3800-0.2194 0.3103 ( 7840 PWs) bands (ev): -38.5313 -38.5313 -38.5262 -38.5262 -1.5658 -1.5658 -0.7546 -0.7546 -0.3420 -0.3420 0.9897 0.9897 1.1338 1.1338 1.3035 1.3035 3.7748 3.7748 5.1036 5.1036 5.4310 5.4310 5.6465 5.6465 11.8106 11.8106 13.3105 13.3105 13.8454 13.8454 k = 0.3900-0.2252 0.3184 ( 7844 PWs) bands (ev): -38.5312 -38.5312 -38.5263 -38.5263 -1.5643 -1.5643 -0.7534 -0.7534 -0.3143 -0.3143 0.9918 0.9918 1.1391 1.1391 1.3497 1.3497 3.7603 3.7603 4.9847 4.9847 5.3558 5.3558 5.6051 5.6051 11.8152 11.8152 13.4143 13.4143 13.9640 13.9640 k = 0.4000-0.2309 0.3266 ( 7844 PWs) bands (ev): -38.5311 -38.5311 -38.5263 -38.5263 -1.5635 -1.5635 -0.7522 -0.7522 -0.2885 -0.2885 0.9937 0.9937 1.1441 1.1441 1.3980 1.3980 3.7485 3.7485 4.8583 4.8583 5.2971 5.2971 5.5669 5.5669 11.8196 11.8196 13.5167 13.5167 14.0826 14.0826 k = 0.4100-0.2367 0.3348 ( 7840 PWs) bands (ev): -38.5310 -38.5310 -38.5264 -38.5264 -1.5633 -1.5633 -0.7511 -0.7511 -0.2647 -0.2647 0.9955 0.9955 1.1488 1.1488 1.4476 1.4476 3.7394 3.7394 4.7305 4.7305 5.2496 5.2496 5.5321 5.5321 11.8235 11.8235 13.6166 13.6166 14.2005 14.2005 k = 0.4200-0.2425 0.3429 ( 7848 PWs) bands (ev): -38.5309 -38.5309 -38.5265 -38.5265 -1.5635 -1.5635 -0.7502 -0.7502 -0.2432 -0.2432 0.9971 0.9971 1.1531 1.1531 1.4977 1.4977 3.7334 3.7334 4.6054 4.6054 5.2101 5.2101 5.5006 5.5006 11.8271 11.8271 13.7131 13.7131 14.3168 14.3168 k = 0.4300-0.2483 0.3511 ( 7860 PWs) bands (ev): -38.5309 -38.5309 -38.5266 -38.5266 -1.5640 -1.5640 -0.7493 -0.7493 -0.2240 -0.2240 0.9984 0.9984 1.1571 1.1571 1.5473 1.5473 3.7307 3.7307 4.4854 4.4854 5.1768 5.1768 5.4727 5.4727 11.8303 11.8303 13.8050 13.8050 14.4302 14.4302 k = 0.4400-0.2540 0.3593 ( 7856 PWs) bands (ev): -38.5308 -38.5308 -38.5266 -38.5266 -1.5647 -1.5647 -0.7485 -0.7485 -0.2073 -0.2073 0.9996 0.9996 1.1606 1.1606 1.5950 1.5950 3.7318 3.7318 4.3724 4.3724 5.1488 5.1488 5.4483 5.4483 11.8330 11.8330 13.8908 13.8908 14.5388 14.5388 k = 0.4500-0.2598 0.3674 ( 7840 PWs) bands (ev): -38.5308 -38.5308 -38.5266 -38.5266 -1.5654 -1.5654 -0.7479 -0.7479 -0.1932 -0.1932 1.0007 1.0007 1.1636 1.1636 1.6395 1.6395 3.7369 3.7369 4.2680 4.2680 5.1256 5.1256 5.4276 5.4276 11.8354 11.8354 13.9686 13.9686 14.6406 14.6406 k = 0.4600-0.2656 0.3756 ( 7840 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5661 -1.5661 -0.7473 -0.7473 -0.1815 -0.1815 1.0015 1.0015 1.1661 1.1661 1.6791 1.6791 3.7468 3.7468 4.1735 4.1735 5.1068 5.1068 5.4105 5.4105 11.8374 11.8374 14.0365 14.0365 14.7325 14.7325 k = 0.4700-0.2714 0.3838 ( 7856 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5667 -1.5667 -0.7469 -0.7469 -0.1725 -0.1725 1.0021 1.0021 1.1681 1.1681 1.7122 1.7122 3.7615 3.7615 4.0906 4.0906 5.0923 5.0923 5.3972 5.3972 11.8389 11.8389 14.0925 14.0925 14.8109 14.8109 k = 0.4800-0.2771 0.3919 ( 7872 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5672 -1.5672 -0.7466 -0.7466 -0.1661 -0.1661 1.0026 1.0026 1.1696 1.1696 1.7372 1.7372 3.7808 3.7808 4.0212 4.0212 5.0821 5.0821 5.3877 5.3877 11.8400 11.8400 14.1343 14.1343 14.8716 14.8716 k = 0.4900-0.2829 0.4001 ( 7872 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5675 -1.5675 -0.7464 -0.7464 -0.1622 -0.1622 1.0029 1.0029 1.1704 1.1704 1.7527 1.7527 3.8012 3.8012 3.9702 3.9702 5.0759 5.0759 5.3820 5.3820 11.8406 11.8406 14.1603 14.1603 14.9102 14.9102 k = 0.5000-0.2887 0.4082 ( 7880 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5676 -1.5676 -0.7464 -0.7464 -0.1609 -0.1609 1.0030 1.0030 1.1707 1.1707 1.7581 1.7581 3.8116 3.8116 3.9494 3.9494 5.0739 5.0739 5.3801 5.3801 11.8408 11.8408 14.1691 14.1691 14.9235 14.9235 k = 0.5000-0.2887 0.4082 ( 7880 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5676 -1.5676 -0.7464 -0.7464 -0.1609 -0.1609 1.0030 1.0030 1.1707 1.1707 1.7581 1.7581 3.8116 3.8116 3.9494 3.9494 5.0739 5.0739 5.3801 5.3801 11.8408 11.8408 14.1691 14.1691 14.9235 14.9235 k = 0.5000-0.2771 0.4164 ( 7880 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5669 -1.5669 -0.7464 -0.7464 -0.1609 -0.1609 1.0029 1.0029 1.1704 1.1704 1.7580 1.7580 3.7972 3.7972 3.9512 3.9512 5.0826 5.0826 5.3882 5.3882 11.8433 11.8433 14.1602 14.1602 14.9124 14.9124 k = 0.5000-0.2656 0.4246 ( 7872 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5648 -1.5648 -0.7465 -0.7465 -0.1609 -0.1609 1.0026 1.0026 1.1694 1.1694 1.7578 1.7578 3.7569 3.7569 3.9559 3.9559 5.1041 5.1041 5.4152 5.4152 11.8505 11.8505 14.1323 14.1323 14.8820 14.8820 k = 0.5000-0.2540 0.4327 ( 7860 PWs) bands (ev): -38.5306 -38.5306 -38.5268 -38.5268 -1.5613 -1.5613 -0.7468 -0.7468 -0.1609 -0.1609 1.0022 1.0022 1.1678 1.1678 1.7575 1.7575 3.6962 3.6962 3.9629 3.9629 5.1276 5.1276 5.4669 5.4669 11.8627 11.8627 14.0814 14.0814 14.8407 14.8407 k = 0.5000-0.2425 0.4409 ( 7856 PWs) bands (ev): -38.5306 -38.5306 -38.5268 -38.5268 -1.5565 -1.5565 -0.7471 -0.7471 -0.1609 -0.1609 1.0016 1.0016 1.1655 1.1655 1.7572 1.7572 3.6213 3.6213 3.9720 3.9720 5.1438 5.1438 5.5467 5.5467 11.8796 11.8796 14.0031 14.0031 14.7990 14.7990 k = 0.5000-0.2309 0.4491 ( 7866 PWs) bands (ev): -38.5306 -38.5306 -38.5268 -38.5268 -1.5504 -1.5504 -0.7474 -0.7474 -0.1609 -0.1609 1.0008 1.0008 1.1625 1.1625 1.7567 1.7567 3.5373 3.5373 3.9832 3.9832 5.1500 5.1500 5.6522 5.6522 11.9013 11.9013 13.8946 13.8946 14.7653 14.7653 k = 0.5000-0.2194 0.4572 ( 7858 PWs) bands (ev): -38.5305 -38.5305 -38.5269 -38.5269 -1.5431 -1.5431 -0.7479 -0.7479 -0.1609 -0.1609 0.9999 0.9999 1.1589 1.1589 1.7561 1.7561 3.4483 3.4483 3.9964 3.9964 5.1478 5.1478 5.7778 5.7778 11.9278 11.9278 13.7571 13.7571 14.7439 14.7439 k = 0.5000-0.2078 0.4654 ( 7850 PWs) bands (ev): -38.5305 -38.5305 -38.5269 -38.5269 -1.5346 -1.5346 -0.7485 -0.7485 -0.1608 -0.1608 0.9989 0.9989 1.1546 1.1546 1.7555 1.7555 3.3571 3.3571 4.0118 4.0118 5.1394 5.1394 5.9185 5.9185 11.9591 11.9591 13.5949 13.5949 14.7350 14.7350 k = 0.5000-0.1963 0.4736 ( 7850 PWs) bands (ev): -38.5304 -38.5304 -38.5270 -38.5270 -1.5251 -1.5251 -0.7491 -0.7491 -0.1608 -0.1608 0.9977 0.9977 1.1497 1.1497 1.7548 1.7548 3.2658 3.2658 4.0293 4.0293 5.1262 5.1262 6.0709 6.0709 11.9949 11.9949 13.4130 13.4130 14.7369 14.7369 k = 0.5000-0.1848 0.4817 ( 7856 PWs) bands (ev): -38.5304 -38.5304 -38.5270 -38.5270 -1.5147 -1.5147 -0.7499 -0.7499 -0.1607 -0.1607 0.9964 0.9964 1.1441 1.1441 1.7541 1.7541 3.1759 3.1759 4.0488 4.0488 5.1093 5.1093 6.2325 6.2325 12.0352 12.0352 13.2163 13.2163 14.7473 14.7473 k = 0.5000-0.1732 0.4899 ( 7872 PWs) bands (ev): -38.5303 -38.5303 -38.5271 -38.5271 -1.5034 -1.5034 -0.7507 -0.7507 -0.1606 -0.1606 0.9950 0.9950 1.1380 1.1380 1.7533 1.7533 3.0887 3.0887 4.0702 4.0702 5.0893 5.0893 6.4016 6.4016 12.0799 12.0799 13.0089 13.0089 14.7643 14.7643 k = 0.5000-0.1617 0.4981 ( 7860 PWs) bands (ev): -38.5302 -38.5302 -38.5272 -38.5272 -1.4915 -1.4915 -0.7516 -0.7516 -0.1604 -0.1604 0.9935 0.9935 1.1313 1.1313 1.7526 1.7526 3.0050 3.0050 4.0935 4.0935 5.0668 5.0668 6.5772 6.5772 12.1281 12.1281 12.7941 12.7941 14.7860 14.7860 k = 0.5000-0.1501 0.5062 ( 7856 PWs) bands (ev): -38.5301 -38.5301 -38.5273 -38.5273 -1.4791 -1.4791 -0.7526 -0.7526 -0.1602 -0.1602 0.9919 0.9919 1.1241 1.1241 1.7518 1.7518 2.9254 2.9254 4.1185 4.1185 5.0419 5.0419 6.7583 6.7583 12.1779 12.1779 12.5764 12.5764 14.8085 14.8085 k = 0.5000-0.1386 0.5144 ( 7852 PWs) bands (ev): -38.5300 -38.5300 -38.5273 -38.5273 -1.4664 -1.4664 -0.7537 -0.7537 -0.1600 -0.1600 0.9902 0.9902 1.1165 1.1165 1.7510 1.7510 2.8505 2.8505 4.1451 4.1451 5.0151 5.0151 6.9444 6.9444 12.2110 12.2110 12.3756 12.3756 14.8131 14.8131 k = 0.5000-0.1270 0.5226 ( 7854 PWs) bands (ev): -38.5299 -38.5299 -38.5274 -38.5274 -1.4535 -1.4535 -0.7548 -0.7548 -0.1597 -0.1597 0.9885 0.9885 1.1086 1.1086 1.7503 1.7503 2.7807 2.7807 4.1732 4.1732 4.9865 4.9865 7.1348 7.1348 12.0846 12.0846 12.3358 12.3358 14.7283 14.7283 k = 0.5000-0.1155 0.5307 ( 7858 PWs) bands (ev): -38.5298 -38.5298 -38.5275 -38.5275 -1.4407 -1.4407 -0.7560 -0.7560 -0.1594 -0.1594 0.9866 0.9866 1.1006 1.1006 1.7496 1.7496 2.7163 2.7163 4.2027 4.2027 4.9565 4.9565 7.3292 7.3292 11.8642 11.8642 12.3926 12.3926 14.5946 14.5946 k = 0.5000-0.1039 0.5389 ( 7854 PWs) bands (ev): -38.5297 -38.5297 -38.5276 -38.5276 -1.4282 -1.4282 -0.7572 -0.7572 -0.1590 -0.1590 0.9847 0.9847 1.0925 1.0925 1.7490 1.7490 2.6576 2.6576 4.2333 4.2333 4.9251 4.9251 7.5270 7.5270 11.6344 11.6344 12.4622 12.4622 14.4553 14.4553 k = 0.5000-0.0924 0.5471 ( 7858 PWs) bands (ev): -38.5296 -38.5296 -38.5277 -38.5277 -1.4161 -1.4161 -0.7584 -0.7584 -0.1586 -0.1586 0.9828 0.9828 1.0846 1.0846 1.7484 1.7484 2.6048 2.6048 4.2649 4.2649 4.8928 4.8928 7.7280 7.7280 11.4025 11.4025 12.5380 12.5380 14.3165 14.3165 k = 0.5000-0.0808 0.5552 ( 7856 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.4048 -1.4048 -0.7596 -0.7596 -0.1582 -0.1582 0.9809 0.9809 1.0771 1.0771 1.7479 1.7479 2.5581 2.5581 4.2973 4.2973 4.8597 4.8597 7.9315 7.9315 11.1706 11.1706 12.6188 12.6188 14.1796 14.1796 k = 0.5000-0.0693 0.5634 ( 7854 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3945 -1.3945 -0.7607 -0.7607 -0.1578 -0.1578 0.9789 0.9789 1.0702 1.0702 1.7475 1.7475 2.5175 2.5175 4.3300 4.3300 4.8262 4.8262 8.1369 8.1369 10.9399 10.9399 12.7042 12.7042 14.0454 14.0454 k = 0.5000-0.0577 0.5715 ( 7848 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3853 -1.3853 -0.7618 -0.7618 -0.1575 -0.1575 0.9771 0.9771 1.0640 1.0640 1.7471 1.7471 2.4831 2.4831 4.3628 4.3628 4.7928 4.7928 8.3434 8.3434 10.7117 10.7117 12.7940 12.7940 13.9141 13.9141 k = 0.5000-0.0462 0.5797 ( 7860 PWs) bands (ev): -38.5292 -38.5292 -38.5282 -38.5282 -1.3775 -1.3775 -0.7627 -0.7627 -0.1572 -0.1572 0.9754 0.9754 1.0588 1.0588 1.7468 1.7468 2.4549 2.4549 4.3948 4.3948 4.7602 4.7602 8.5492 8.5492 10.4878 10.4878 12.8880 12.8880 13.7861 13.7861 k = 0.5000-0.0346 0.5879 ( 7852 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3712 -1.3712 -0.7634 -0.7634 -0.1569 -0.1569 0.9739 0.9739 1.0546 1.0546 1.7466 1.7466 2.4330 2.4330 4.4251 4.4251 4.7295 4.7295 8.7512 8.7512 10.2716 10.2716 12.9860 12.9860 13.6615 13.6615 k = 0.5000-0.0231 0.5960 ( 7858 PWs) bands (ev): -38.5289 -38.5289 -38.5284 -38.5284 -1.3666 -1.3666 -0.7640 -0.7640 -0.1567 -0.1567 0.9727 0.9727 1.0516 1.0516 1.7465 1.7465 2.4174 2.4174 4.4516 4.4516 4.7027 4.7027 8.9417 8.9417 10.0709 10.0709 13.0877 13.0877 13.5408 13.5408 k = 0.5000-0.0115 0.6042 ( 7856 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.3637 -1.3637 -0.7643 -0.7643 -0.1565 -0.1565 0.9720 0.9720 1.0497 1.0497 1.7464 1.7464 2.4080 2.4080 4.4708 4.4708 4.6832 4.6832 9.0996 9.0996 9.9069 9.9069 13.1919 13.1919 13.4251 13.4251 k = 0.5000-0.0000 0.6124 ( 7848 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3628 -1.3628 -0.7645 -0.7645 -0.1565 -0.1565 0.9718 0.9718 1.0491 1.0491 1.7463 1.7463 2.4049 2.4049 4.4781 4.4781 4.6759 4.6759 9.1692 9.1692 9.8352 9.8352 13.2750 13.2750 13.3382 13.3382 k = 0.5000-0.0000 0.6124 ( 7848 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3628 -1.3628 -0.7645 -0.7645 -0.1565 -0.1565 0.9718 0.9718 1.0491 1.0491 1.7463 1.7463 2.4049 2.4049 4.4781 4.4781 4.6759 4.6759 9.1692 9.1692 9.8352 9.8352 13.2750 13.2750 13.3382 13.3382 k = 0.4931 0.0120 0.6124 ( 7854 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.3630 -1.3630 -0.7644 -0.7644 -0.1568 -0.1568 0.9718 0.9718 1.0493 1.0493 1.7453 1.7453 2.4048 2.4048 4.4767 4.4767 4.6828 4.6828 9.1335 9.1335 9.8712 9.8712 13.2253 13.2253 13.3914 13.3914 k = 0.4861 0.0241 0.6124 ( 7863 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.3636 -1.3636 -0.7643 -0.7643 -0.1576 -0.1576 0.9718 0.9718 1.0501 1.0501 1.7425 1.7425 2.4039 2.4039 4.4711 4.4711 4.7048 4.7048 9.0417 9.0417 9.9641 9.9641 13.1589 13.1589 13.4683 13.4683 k = 0.4792 0.0361 0.6124 ( 7854 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.3645 -1.3645 -0.7642 -0.7642 -0.1589 -0.1589 0.9718 0.9718 1.0513 1.0513 1.7382 1.7382 2.4021 2.4021 4.4614 4.4614 4.7416 4.7416 8.9189 8.9189 10.0891 10.0891 13.0960 13.0960 13.5482 13.5482 k = 0.4722 0.0481 0.6124 ( 7854 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.3658 -1.3658 -0.7640 -0.7640 -0.1604 -0.1604 0.9717 0.9717 1.0531 1.0531 1.7330 1.7330 2.3991 2.3991 4.4489 4.4489 4.7913 4.7913 8.7807 8.7807 10.2309 10.2309 13.0381 13.0381 13.6295 13.6295 k = 0.4653 0.0601 0.6124 ( 7855 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3673 -1.3673 -0.7637 -0.7637 -0.1623 -0.1623 0.9717 0.9717 1.0554 1.0554 1.7270 1.7270 2.3949 2.3949 4.4350 4.4350 4.8520 4.8520 8.6345 8.6345 10.3823 10.3823 12.9854 12.9854 13.7119 13.7119 k = 0.4583 0.0722 0.6124 ( 7851 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3689 -1.3689 -0.7634 -0.7634 -0.1642 -0.1642 0.9715 0.9715 1.0581 1.0581 1.7205 1.7205 2.3896 2.3896 4.4208 4.4208 4.9221 4.9221 8.4844 8.4844 10.5395 10.5395 12.9378 12.9378 13.7950 13.7950 k = 0.4514 0.0842 0.6124 ( 7860 PWs) bands (ev): -38.5292 -38.5292 -38.5282 -38.5282 -1.3707 -1.3707 -0.7630 -0.7630 -0.1662 -0.1662 0.9713 0.9713 1.0613 1.0613 1.7138 1.7138 2.3834 2.3834 4.4067 4.4067 5.0001 5.0001 8.3327 8.3327 10.7005 10.7005 12.8954 12.8954 13.8785 13.8785 k = 0.4444 0.0962 0.6124 ( 7844 PWs) bands (ev): -38.5292 -38.5292 -38.5281 -38.5281 -1.3726 -1.3726 -0.7626 -0.7626 -0.1683 -0.1683 0.9710 0.9710 1.0647 1.0647 1.7069 1.7069 2.3766 2.3766 4.3933 4.3933 5.0847 5.0847 8.1809 8.1809 10.8637 10.8637 12.8584 12.8584 13.9620 13.9620 k = 0.4375 0.1083 0.6124 ( 7848 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3745 -1.3745 -0.7622 -0.7622 -0.1702 -0.1702 0.9707 0.9707 1.0684 1.0684 1.7001 1.7001 2.3694 2.3694 4.3808 4.3808 5.1748 5.1748 8.0304 8.0304 11.0280 11.0280 12.8268 12.8268 14.0442 14.0442 k = 0.4306 0.1203 0.6124 ( 7844 PWs) bands (ev): -38.5293 -38.5293 -38.5280 -38.5280 -1.3764 -1.3764 -0.7618 -0.7618 -0.1721 -0.1721 0.9704 0.9704 1.0721 1.0721 1.6935 1.6935 2.3622 2.3622 4.3694 4.3694 5.2690 5.2690 7.8826 7.8826 11.1920 11.1920 12.8010 12.8010 14.1206 14.1206 k = 0.4236 0.1323 0.6124 ( 7853 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3782 -1.3782 -0.7614 -0.7614 -0.1739 -0.1739 0.9700 0.9700 1.0759 1.0759 1.6872 1.6872 2.3551 2.3551 4.3592 4.3592 5.3659 5.3659 7.7386 7.7386 11.3542 11.3542 12.7818 12.7818 14.1395 14.1395 k = 0.4167 0.1443 0.6124 ( 7859 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3799 -1.3799 -0.7611 -0.7611 -0.1754 -0.1754 0.9697 0.9697 1.0795 1.0795 1.6815 1.6815 2.3485 2.3485 4.3503 4.3503 5.4637 5.4637 7.6003 7.6003 11.5124 11.5124 12.7702 12.7702 14.0099 14.0099 k = 0.4097 0.1564 0.6124 ( 7846 PWs) bands (ev): -38.5294 -38.5294 -38.5279 -38.5279 -1.3814 -1.3814 -0.7607 -0.7607 -0.1768 -0.1768 0.9694 0.9694 1.0828 1.0828 1.6763 1.6763 2.3426 2.3426 4.3427 4.3427 5.5601 5.5601 7.4699 7.4699 11.6636 11.6636 12.7680 12.7680 13.8515 13.8515 k = 0.4028 0.1684 0.6124 ( 7846 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3827 -1.3827 -0.7605 -0.7605 -0.1780 -0.1780 0.9691 0.9691 1.0857 1.0857 1.6719 1.6719 2.3375 2.3375 4.3364 4.3364 5.6518 5.6518 7.3505 7.3505 11.8030 11.8030 12.7780 12.7780 13.6911 13.6911 k = 0.3958 0.1804 0.6124 ( 7855 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3837 -1.3837 -0.7602 -0.7602 -0.1789 -0.1789 0.9689 0.9689 1.0880 1.0880 1.6684 1.6684 2.3333 2.3333 4.3315 4.3315 5.7344 5.7344 7.2464 7.2464 11.9240 11.9240 12.8039 12.8039 13.5345 13.5345 k = 0.3889 0.1925 0.6124 ( 7851 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3845 -1.3845 -0.7600 -0.7600 -0.1795 -0.1795 0.9687 0.9687 1.0898 1.0898 1.6657 1.6657 2.3303 2.3303 4.3279 4.3279 5.8018 5.8018 7.1636 7.1636 12.0184 12.0184 12.8487 12.8487 13.3880 13.3880 k = 0.3819 0.2045 0.6124 ( 7846 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3849 -1.3849 -0.7599 -0.7599 -0.1799 -0.1799 0.9686 0.9686 1.0909 1.0909 1.6641 1.6641 2.3284 2.3284 4.3258 4.3258 5.8468 5.8468 7.1094 7.1094 12.0782 12.0782 12.9070 12.9070 13.2654 13.2654 k = 0.3750 0.2165 0.6124 ( 7850 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3851 -1.3851 -0.7599 -0.7599 -0.1801 -0.1801 0.9686 0.9686 1.0913 1.0913 1.6636 1.6636 2.3278 2.3278 4.3251 4.3251 5.8628 5.8628 7.0904 7.0904 12.0986 12.0986 12.9423 12.9423 13.2083 13.2083 k = 0.3750 0.2165 0.6124 ( 7850 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3851 -1.3851 -0.7599 -0.7599 -0.1801 -0.1801 0.9686 0.9686 1.0913 1.0913 1.6636 1.6636 2.3278 2.3278 4.3251 4.3251 5.8628 5.8628 7.0904 7.0904 12.0986 12.0986 12.9423 12.9423 13.2083 13.2083 k = 0.3678 0.2123 0.6006 ( 7854 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3683 -1.3683 -0.7615 -0.7615 -0.1861 -0.1861 0.9631 0.9631 1.0842 1.0842 1.6341 1.6341 2.2754 2.2754 4.3679 4.3679 5.9358 5.9358 7.2110 7.2110 12.0065 12.0065 12.8870 12.8870 13.1896 13.1896 k = 0.3606 0.2082 0.5888 ( 7854 PWs) bands (ev): -38.5293 -38.5293 -38.5282 -38.5282 -1.3518 -1.3518 -0.7632 -0.7632 -0.1936 -0.1936 0.9568 0.9568 1.0771 1.0771 1.5988 1.5988 2.2353 2.2353 4.4129 4.4129 6.0119 6.0119 7.3296 7.3296 11.9015 11.9015 12.7803 12.7803 13.2436 13.2436 k = 0.3534 0.2040 0.5770 ( 7846 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3356 -1.3356 -0.7650 -0.7650 -0.2029 -0.2029 0.9499 0.9499 1.0700 1.0700 1.5586 1.5586 2.2073 2.2073 4.4600 4.4600 6.0908 6.0908 7.4461 7.4461 11.7889 11.7889 12.6535 12.6535 13.3336 13.3336 k = 0.3462 0.1999 0.5653 ( 7846 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.3199 -1.3199 -0.7669 -0.7669 -0.2143 -0.2143 0.9421 0.9421 1.0630 1.0630 1.5153 1.5153 2.1903 2.1903 4.5091 4.5091 6.1725 6.1725 7.5604 7.5604 11.6723 11.6723 12.5201 12.5201 13.4431 13.4431 k = 0.3389 0.1957 0.5535 ( 7846 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.3049 -1.3049 -0.7688 -0.7688 -0.2279 -0.2279 0.9336 0.9336 1.0559 1.0559 1.4707 1.4707 2.1830 2.1830 4.5603 4.5603 6.2569 6.2569 7.6725 7.6725 11.5539 11.5539 12.3845 12.3845 13.5653 13.5653 k = 0.3317 0.1915 0.5417 ( 7852 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.2909 -1.2909 -0.7708 -0.7708 -0.2441 -0.2441 0.9243 0.9243 1.0489 1.0489 1.4267 1.4267 2.1841 2.1841 4.6136 4.6136 6.3437 6.3437 7.7823 7.7823 11.4351 11.4351 12.2484 12.2484 13.6955 13.6955 k = 0.3245 0.1874 0.5299 ( 7846 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2781 -1.2781 -0.7729 -0.7729 -0.2630 -0.2630 0.9144 0.9144 1.0420 1.0420 1.3848 1.3848 2.1924 2.1924 4.6688 4.6688 6.4329 6.4329 7.8900 7.8900 11.3168 11.3168 12.1129 12.1129 13.8205 13.8205 k = 0.3173 0.1832 0.5182 ( 7842 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.2665 -1.2665 -0.7750 -0.7750 -0.2848 -0.2848 0.9040 0.9040 1.0351 1.0351 1.3460 1.3460 2.2070 2.2070 4.7259 4.7259 6.5243 6.5243 7.9956 7.9956 11.1996 11.1996 11.9786 11.9786 13.8059 13.8059 k = 0.3101 0.1790 0.5064 ( 7844 PWs) bands (ev): -38.5293 -38.5293 -38.5282 -38.5282 -1.2566 -1.2566 -0.7772 -0.7772 -0.3094 -0.3094 0.8936 0.8936 1.0284 1.0284 1.3110 1.3110 2.2274 2.2274 4.7850 4.7850 6.6177 6.6177 8.0993 8.0993 11.0840 11.0840 11.8458 11.8458 13.7066 13.7066 k = 0.3029 0.1749 0.4946 ( 7850 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.2485 -1.2485 -0.7794 -0.7794 -0.3368 -0.3368 0.8834 0.8834 1.0217 1.0217 1.2800 1.2800 2.2530 2.2530 4.8459 4.8459 6.7129 6.7129 8.2010 8.2010 10.9703 10.9703 11.7152 11.7152 13.6060 13.6060 k = 0.2957 0.1707 0.4828 ( 7842 PWs) bands (ev): -38.5296 -38.5296 -38.5278 -38.5278 -1.2426 -1.2426 -0.7817 -0.7817 -0.3665 -0.3665 0.8739 0.8739 1.0153 1.0153 1.2529 1.2529 2.2837 2.2837 4.9086 4.9086 6.8097 6.8097 8.3009 8.3009 10.8587 10.8587 11.5870 11.5870 13.5074 13.5074 k = 0.2885 0.1665 0.4711 ( 7832 PWs) bands (ev): -38.5298 -38.5298 -38.5277 -38.5277 -1.2391 -1.2391 -0.7841 -0.7841 -0.3983 -0.3983 0.8654 0.8654 1.0090 1.0090 1.2294 1.2294 2.3191 2.3191 4.9731 4.9731 6.9079 6.9079 8.3992 8.3992 10.7495 10.7495 11.4616 11.4616 13.4113 13.4113 k = 0.2812 0.1624 0.4593 ( 7840 PWs) bands (ev): -38.5300 -38.5300 -38.5275 -38.5275 -1.2384 -1.2384 -0.7865 -0.7865 -0.4315 -0.4315 0.8582 0.8582 1.0029 1.0029 1.2091 1.2091 2.3592 2.3592 5.0394 5.0394 7.0071 7.0071 8.4959 8.4959 10.6427 10.6427 11.3394 11.3394 13.3178 13.3178 k = 0.2740 0.1582 0.4475 ( 7840 PWs) bands (ev): -38.5302 -38.5302 -38.5273 -38.5273 -1.2407 -1.2407 -0.7889 -0.7889 -0.4654 -0.4654 0.8525 0.8525 0.9970 0.9970 1.1916 1.1916 2.4040 2.4040 5.1074 5.1074 7.1071 7.1071 8.5912 8.5912 10.5384 10.5384 11.2209 11.2209 13.2269 13.2269 k = 0.2668 0.1541 0.4357 ( 7828 PWs) bands (ev): -38.5303 -38.5303 -38.5271 -38.5271 -1.2466 -1.2466 -0.7913 -0.7913 -0.4994 -0.4994 0.8485 0.8485 0.9914 0.9914 1.1762 1.1762 2.4534 2.4534 5.1769 5.1769 7.2075 7.2075 8.6850 8.6850 10.4369 10.4369 11.1065 11.1065 13.1388 13.1388 k = 0.2596 0.1499 0.4240 ( 7840 PWs) bands (ev): -38.5305 -38.5305 -38.5270 -38.5270 -1.2562 -1.2562 -0.7937 -0.7937 -0.5325 -0.5325 0.8461 0.8461 0.9861 0.9861 1.1627 1.1627 2.5073 2.5073 5.2481 5.2481 7.3078 7.3078 8.7775 8.7775 10.3381 10.3381 10.9968 10.9968 13.0532 13.0532 k = 0.2524 0.1457 0.4122 ( 7840 PWs) bands (ev): -38.5307 -38.5307 -38.5268 -38.5268 -1.2700 -1.2700 -0.7961 -0.7961 -0.5642 -0.5642 0.8453 0.8453 0.9810 0.9810 1.1507 1.1507 2.5658 2.5658 5.3208 5.3208 7.4076 7.4076 8.8685 8.8685 10.2422 10.2422 10.8924 10.8924 12.9702 12.9702 k = 0.2452 0.1416 0.4004 ( 7840 PWs) bands (ev): -38.5309 -38.5309 -38.5266 -38.5266 -1.2880 -1.2880 -0.7984 -0.7984 -0.5937 -0.5937 0.8459 0.8459 0.9762 0.9762 1.1399 1.1399 2.6287 2.6287 5.3950 5.3950 7.5062 7.5062 8.9580 8.9580 10.1494 10.1494 10.7941 10.7941 12.8894 12.8894 k = 0.2380 0.1374 0.3886 ( 7832 PWs) bands (ev): -38.5311 -38.5311 -38.5264 -38.5264 -1.3103 -1.3103 -0.8006 -0.8006 -0.6205 -0.6205 0.8477 0.8477 0.9716 0.9716 1.1300 1.1300 2.6962 2.6962 5.4705 5.4705 7.6029 7.6029 9.0455 9.0455 10.0600 10.0600 10.7027 10.7027 12.8092 12.8092 k = 0.2308 0.1332 0.3768 ( 7838 PWs) bands (ev): -38.5313 -38.5313 -38.5262 -38.5262 -1.3370 -1.3370 -0.8026 -0.8026 -0.6445 -0.6445 0.8506 0.8506 0.9673 0.9673 1.1209 1.1209 2.7680 2.7680 5.5474 5.5474 7.6969 7.6969 9.1305 9.1305 9.9745 9.9745 10.6193 10.6193 12.7238 12.7238 k = 0.2236 0.1291 0.3651 ( 7824 PWs) bands (ev): -38.5315 -38.5315 -38.5261 -38.5261 -1.3675 -1.3675 -0.8045 -0.8045 -0.6656 -0.6656 0.8544 0.8544 0.9633 0.9633 1.1125 1.1125 2.8441 2.8441 5.6256 5.6256 7.7871 7.7871 9.2119 9.2119 9.8937 9.8937 10.5452 10.5452 12.6360 12.6360 k = 0.2163 0.1249 0.3533 ( 7828 PWs) bands (ev): -38.5317 -38.5317 -38.5259 -38.5259 -1.4016 -1.4016 -0.8062 -0.8062 -0.6838 -0.6838 0.8590 0.8590 0.9594 0.9594 1.1045 1.1045 2.9245 2.9245 5.7048 5.7048 7.8722 7.8722 9.2877 9.2877 9.8192 9.8192 10.4821 10.4821 12.5499 12.5499 k = 0.2091 0.1207 0.3415 ( 7832 PWs) bands (ev): -38.5319 -38.5319 -38.5257 -38.5257 -1.4388 -1.4388 -0.8076 -0.8076 -0.6993 -0.6993 0.8641 0.8641 0.9558 0.9558 1.0970 1.0970 3.0090 3.0090 5.7852 5.7852 7.9509 7.9509 9.3534 9.3534 9.7551 9.7551 10.4317 10.4317 12.4664 12.4664 k = 0.2019 0.1166 0.3297 ( 7824 PWs) bands (ev): -38.5320 -38.5320 -38.5255 -38.5255 -1.4783 -1.4783 -0.8088 -0.8088 -0.7126 -0.7126 0.8697 0.8697 0.9524 0.9524 1.0899 1.0899 3.0975 3.0975 5.8664 5.8664 8.0217 8.0217 9.3994 9.3994 9.7103 9.7103 10.3963 10.3963 12.3857 12.3857 k = 0.1947 0.1124 0.3180 ( 7824 PWs) bands (ev): -38.5322 -38.5322 -38.5254 -38.5254 -1.5197 -1.5197 -0.8097 -0.8097 -0.7239 -0.7239 0.8755 0.8755 0.9492 0.9492 1.0832 1.0832 3.1899 3.1899 5.9485 5.9485 8.0830 8.0830 9.4106 9.4106 9.6993 9.6993 10.3777 10.3777 12.3081 12.3081 k = 0.1875 0.1083 0.3062 ( 7812 PWs) bands (ev): -38.5324 -38.5324 -38.5252 -38.5252 -1.5624 -1.5624 -0.8104 -0.8104 -0.7335 -0.7335 0.8814 0.8814 0.9463 0.9463 1.0768 1.0768 3.2860 3.2860 6.0314 6.0314 8.1332 8.1332 9.3838 9.3838 9.7252 9.7252 10.3776 10.3776 12.2336 12.2336 k = 0.1803 0.1041 0.2944 ( 7814 PWs) bands (ev): -38.5326 -38.5326 -38.5250 -38.5250 -1.6058 -1.6058 -0.8108 -0.8108 -0.7417 -0.7417 0.8874 0.8874 0.9436 0.9436 1.0707 1.0707 3.3857 3.3857 6.1147 6.1147 8.1714 8.1714 9.3342 9.3342 9.7729 9.7729 10.3965 10.3965 12.1626 12.1626 k = 0.1731 0.0999 0.2826 ( 7818 PWs) bands (ev): -38.5328 -38.5328 -38.5249 -38.5249 -1.6496 -1.6496 -0.8111 -0.8111 -0.7488 -0.7488 0.8932 0.8932 0.9413 0.9413 1.0648 1.0648 3.4888 3.4888 6.1984 6.1984 8.1968 8.1968 9.2747 9.2747 9.8305 9.8305 10.4339 10.4339 12.0950 12.0950 k = 0.1659 0.0958 0.2709 ( 7812 PWs) bands (ev): -38.5329 -38.5329 -38.5247 -38.5247 -1.6933 -1.6933 -0.8111 -0.8111 -0.7550 -0.7550 0.8986 0.8986 0.9395 0.9395 1.0593 1.0593 3.5951 3.5951 6.2824 6.2824 8.2096 8.2096 9.2109 9.2109 9.8940 9.8940 10.4877 10.4877 12.0313 12.0313 k = 0.1587 0.0916 0.2591 ( 7824 PWs) bands (ev): -38.5331 -38.5331 -38.5246 -38.5246 -1.7366 -1.7366 -0.8110 -0.8110 -0.7604 -0.7604 0.9033 0.9033 0.9384 0.9384 1.0541 1.0541 3.7043 3.7043 6.3663 6.3663 8.2106 8.2106 9.1449 9.1449 9.9624 9.9624 10.5555 10.5555 11.9714 11.9714 k = 0.1514 0.0874 0.2473 ( 7822 PWs) bands (ev): -38.5332 -38.5332 -38.5244 -38.5244 -1.7792 -1.7792 -0.8108 -0.8108 -0.7652 -0.7652 0.9069 0.9069 0.9385 0.9385 1.0492 1.0492 3.8164 3.8164 6.4501 6.4501 8.2011 8.2011 9.0777 9.0777 10.0358 10.0358 10.6344 10.6344 11.9157 11.9157 k = 0.1442 0.0833 0.2355 ( 7820 PWs) bands (ev): -38.5334 -38.5334 -38.5243 -38.5243 -1.8208 -1.8208 -0.8105 -0.8105 -0.7695 -0.7695 0.9090 0.9090 0.9400 0.9400 1.0447 1.0447 3.9311 3.9311 6.5333 6.5333 8.1829 8.1829 9.0095 9.0095 10.1140 10.1140 10.7221 10.7221 11.8644 11.8644 k = 0.1370 0.0791 0.2238 ( 7812 PWs) bands (ev): -38.5335 -38.5335 -38.5241 -38.5241 -1.8612 -1.8612 -0.8101 -0.8101 -0.7733 -0.7733 0.9096 0.9096 0.9429 0.9429 1.0404 1.0404 4.0481 4.0481 6.6158 6.6158 8.1576 8.1576 8.9405 8.9405 10.1962 10.1962 10.8166 10.8166 11.8177 11.8177 k = 0.1298 0.0749 0.2120 ( 7826 PWs) bands (ev): -38.5337 -38.5337 -38.5240 -38.5240 -1.9003 -1.9003 -0.8096 -0.8096 -0.7768 -0.7768 0.9090 0.9090 0.9470 0.9470 1.0365 1.0365 4.1672 4.1672 6.6972 6.6972 8.1272 8.1272 8.8706 8.8706 10.2817 10.2817 10.9161 10.9161 11.7759 11.7759 k = 0.1226 0.0708 0.2002 ( 7822 PWs) bands (ev): -38.5338 -38.5338 -38.5239 -38.5239 -1.9379 -1.9379 -0.8091 -0.8091 -0.7800 -0.7800 0.9075 0.9075 0.9517 0.9517 1.0328 1.0328 4.2882 4.2882 6.7772 6.7772 8.0931 8.0931 8.7999 8.7999 10.3692 10.3692 11.0191 11.0191 11.7394 11.7394 k = 0.1154 0.0666 0.1884 ( 7816 PWs) bands (ev): -38.5340 -38.5340 -38.5238 -38.5238 -1.9738 -1.9738 -0.8086 -0.8086 -0.7829 -0.7829 0.9056 0.9056 0.9567 0.9567 1.0295 1.0295 4.4105 4.4105 6.8553 6.8553 8.0568 8.0568 8.7283 8.7283 10.4578 10.4578 11.1241 11.1241 11.7085 11.7085 k = 0.1082 0.0625 0.1766 ( 7820 PWs) bands (ev): -38.5341 -38.5341 -38.5237 -38.5237 -2.0080 -2.0080 -0.8081 -0.8081 -0.7855 -0.7855 0.9034 0.9034 0.9619 0.9619 1.0265 1.0265 4.5341 4.5341 6.9310 6.9310 8.0194 8.0194 8.6558 8.6558 10.5461 10.5461 11.2292 11.2292 11.6840 11.6840 k = 0.1010 0.0583 0.1649 ( 7820 PWs) bands (ev): -38.5342 -38.5342 -38.5235 -38.5235 -2.0403 -2.0403 -0.8076 -0.8076 -0.7879 -0.7879 0.9011 0.9011 0.9670 0.9670 1.0237 1.0237 4.6584 4.6584 7.0039 7.0039 7.9821 7.9821 8.5824 8.5824 10.6332 10.6332 11.3316 11.3316 11.6670 11.6670 k = 0.0938 0.0541 0.1531 ( 7820 PWs) bands (ev): -38.5343 -38.5343 -38.5234 -38.5234 -2.0707 -2.0707 -0.8071 -0.8071 -0.7902 -0.7902 0.8987 0.8987 0.9721 0.9721 1.0213 1.0213 4.7830 4.7830 7.0733 7.0733 7.9457 7.9457 8.5081 8.5081 10.7181 10.7181 11.4265 11.4265 11.6603 11.6603 k = 0.0865 0.0500 0.1413 ( 7816 PWs) bands (ev): -38.5344 -38.5344 -38.5233 -38.5233 -2.0990 -2.0990 -0.8066 -0.8066 -0.7922 -0.7922 0.8964 0.8964 0.9769 0.9769 1.0191 1.0191 4.9074 4.9074 7.1384 7.1384 7.9111 7.9111 8.4333 8.4333 10.8001 10.8001 11.5031 11.5031 11.6703 11.6703 k = 0.0793 0.0458 0.1295 ( 7819 PWs) bands (ev): -38.5345 -38.5345 -38.5233 -38.5233 -2.1253 -2.1253 -0.8061 -0.8061 -0.7940 -0.7940 0.8940 0.8940 0.9815 0.9815 1.0171 1.0171 5.0310 5.0310 7.1983 7.1983 7.8791 7.8791 8.3581 8.3581 10.8784 10.8784 11.5479 11.5479 11.6987 11.6987 k = 0.0721 0.0416 0.1178 ( 7817 PWs) bands (ev): -38.5346 -38.5346 -38.5232 -38.5232 -2.1495 -2.1495 -0.8057 -0.8057 -0.7957 -0.7957 0.8918 0.8918 0.9858 0.9858 1.0154 1.0154 5.1531 5.1531 7.2520 7.2520 7.8507 7.8507 8.2830 8.2830 10.9528 10.9528 11.5663 11.5663 11.7129 11.7129 k = 0.0649 0.0375 0.1060 ( 7825 PWs) bands (ev): -38.5347 -38.5347 -38.5231 -38.5231 -2.1715 -2.1715 -0.8053 -0.8053 -0.7972 -0.7972 0.8897 0.8897 0.9898 0.9898 1.0139 1.0139 5.2729 5.2729 7.2982 7.2982 7.8265 7.8265 8.2089 8.2089 11.0232 11.0232 11.5734 11.5734 11.7095 11.7095 k = 0.0577 0.0333 0.0942 ( 7819 PWs) bands (ev): -38.5348 -38.5348 -38.5230 -38.5230 -2.1913 -2.1913 -0.8050 -0.8050 -0.7986 -0.7986 0.8877 0.8877 0.9935 0.9935 1.0126 1.0126 5.3892 5.3892 7.3354 7.3354 7.8077 7.8077 8.1366 8.1366 11.0898 11.0898 11.5756 11.5756 11.7057 11.7057 k = 0.0505 0.0291 0.0824 ( 7811 PWs) bands (ev): -38.5349 -38.5349 -38.5230 -38.5230 -2.2088 -2.2088 -0.8046 -0.8046 -0.7997 -0.7997 0.8860 0.8860 0.9968 0.9968 1.0115 1.0115 5.5008 5.5008 7.3623 7.3623 7.7950 7.7950 8.0674 8.0674 11.1532 11.1532 11.5744 11.5744 11.7055 11.7055 k = 0.0433 0.0250 0.0707 ( 7803 PWs) bands (ev): -38.5349 -38.5349 -38.5229 -38.5229 -2.2240 -2.2240 -0.8044 -0.8044 -0.8008 -0.8008 0.8844 0.8844 0.9997 0.9997 1.0105 1.0105 5.6061 5.6061 7.3783 7.3783 7.7885 7.7885 8.0031 8.0031 11.2142 11.2142 11.5707 11.5707 11.7090 11.7090 k = 0.0361 0.0208 0.0589 ( 7801 PWs) bands (ev): -38.5350 -38.5350 -38.5229 -38.5229 -2.2369 -2.2369 -0.8041 -0.8041 -0.8016 -0.8016 0.8830 0.8830 1.0022 1.0022 1.0098 1.0098 5.7030 5.7030 7.3835 7.3835 7.7876 7.7876 7.9454 7.9454 11.2738 11.2738 11.5654 11.5654 11.7148 11.7148 k = 0.0288 0.0167 0.0471 ( 7805 PWs) bands (ev): -38.5350 -38.5350 -38.5228 -38.5228 -2.2475 -2.2475 -0.8039 -0.8039 -0.8023 -0.8023 0.8819 0.8819 1.0043 1.0043 1.0091 1.0091 5.7889 5.7889 7.3799 7.3799 7.7907 7.7907 7.8962 7.8962 11.3328 11.3328 11.5597 11.5597 11.7212 11.7212 k = 0.0216 0.0125 0.0353 ( 7805 PWs) bands (ev): -38.5350 -38.5350 -38.5228 -38.5228 -2.2558 -2.2558 -0.8038 -0.8038 -0.8029 -0.8029 0.8810 0.8810 1.0059 1.0059 1.0087 1.0087 5.8611 5.8611 7.3705 7.3705 7.7959 7.7959 7.8570 7.8570 11.3918 11.3918 11.5545 11.5545 11.7269 11.7269 k = 0.0144 0.0083 0.0236 ( 7803 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2617 -2.2617 -0.8037 -0.8037 -0.8033 -0.8033 0.8803 0.8803 1.0071 1.0071 1.0083 1.0083 5.9160 5.9160 7.3594 7.3594 7.8010 7.8010 7.8287 7.8287 11.4510 11.4510 11.5504 11.5504 11.7092 11.7092 k = 0.0072 0.0042 0.0118 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2653 -2.2653 -0.8036 -0.8036 -0.8035 -0.8035 0.8799 0.8799 1.0078 1.0078 1.0081 1.0081 5.9506 5.9506 7.3506 7.3506 7.8048 7.8048 7.8117 7.8117 11.5088 11.5088 11.5478 11.5478 11.6503 11.6503 k = 0.0000 0.0000 0.0000 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2665 -2.2665 -0.8036 -0.8036 -0.8036 -0.8036 0.8798 0.8798 1.0081 1.0081 1.0081 1.0081 5.9624 5.9624 7.3472 7.3472 7.8061 7.8061 7.8061 7.8061 11.5469 11.5469 11.5469 11.5469 11.6117 11.6117 k = 0.0000 0.0000 0.0000 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2665 -2.2665 -0.8036 -0.8036 -0.8036 -0.8036 0.8798 0.8798 1.0081 1.0081 1.0081 1.0081 5.9624 5.9624 7.3472 7.3472 7.8061 7.8061 7.8061 7.8061 11.5469 11.5469 11.5469 11.5469 11.6117 11.6117 k = 0.0116 0.0067 0.0047 ( 7799 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2653 -2.2653 -0.8036 -0.8036 -0.8035 -0.8035 0.8799 0.8799 1.0078 1.0078 1.0081 1.0081 5.9509 5.9509 7.3505 7.3505 7.8059 7.8059 7.8105 7.8105 11.5093 11.5093 11.5480 11.5480 11.6496 11.6496 k = 0.0233 0.0134 0.0095 ( 7802 PWs) bands (ev): -38.5351 -38.5351 -38.5228 -38.5228 -2.2618 -2.2618 -0.8037 -0.8037 -0.8033 -0.8033 0.8803 0.8803 1.0072 1.0072 1.0083 1.0083 5.9170 5.9170 7.3597 7.3597 7.8053 7.8053 7.8236 7.8236 11.4517 11.4517 11.5511 11.5511 11.7076 11.7076 k = 0.0349 0.0201 0.0142 ( 7802 PWs) bands (ev): -38.5350 -38.5350 -38.5228 -38.5228 -2.2561 -2.2561 -0.8038 -0.8038 -0.8029 -0.8029 0.8809 0.8809 1.0060 1.0060 1.0086 1.0086 5.8627 5.8627 7.3732 7.3732 7.8042 7.8042 7.8452 7.8452 11.3922 11.3922 11.5558 11.5558 11.7246 11.7246 k = 0.0465 0.0269 0.0190 ( 7808 PWs) bands (ev): -38.5350 -38.5350 -38.5228 -38.5228 -2.2480 -2.2480 -0.8040 -0.8040 -0.8023 -0.8023 0.8818 0.8818 1.0045 1.0045 1.0090 1.0090 5.7907 5.7907 7.3890 7.3890 7.8028 7.8028 7.8749 7.8749 11.3327 11.3327 11.5616 11.5616 11.7161 11.7161 k = 0.0581 0.0336 0.0237 ( 7808 PWs) bands (ev): -38.5350 -38.5350 -38.5229 -38.5229 -2.2376 -2.2376 -0.8043 -0.8043 -0.8016 -0.8016 0.8829 0.8829 1.0026 1.0026 1.0095 1.0095 5.7038 5.7038 7.4052 7.4052 7.8011 7.8011 7.9119 7.9119 11.2733 11.2733 11.5674 11.5674 11.7034 11.7034 k = 0.0698 0.0403 0.0285 ( 7811 PWs) bands (ev): -38.5349 -38.5349 -38.5229 -38.5229 -2.2250 -2.2250 -0.8046 -0.8046 -0.8007 -0.8007 0.8842 0.8842 1.0002 1.0002 1.0101 1.0101 5.6048 5.6048 7.4207 7.4207 7.7992 7.7992 7.9548 7.9548 11.2139 11.2139 11.5719 11.5719 11.6860 11.6860 k = 0.0814 0.0470 0.0332 ( 7805 PWs) bands (ev): -38.5349 -38.5349 -38.5230 -38.5230 -2.2100 -2.2100 -0.8049 -0.8049 -0.7997 -0.7997 0.8857 0.8857 0.9975 0.9975 1.0109 1.0109 5.4959 5.4959 7.4351 7.4351 7.7971 7.7971 8.0024 8.0024 11.1543 11.1543 11.5733 11.5733 11.6637 11.6637 k = 0.0930 0.0537 0.0380 ( 7811 PWs) bands (ev): -38.5348 -38.5348 -38.5230 -38.5230 -2.1928 -2.1928 -0.8053 -0.8053 -0.7985 -0.7985 0.8874 0.8874 0.9944 0.9944 1.0118 1.0118 5.3790 5.3790 7.4481 7.4481 7.7949 7.7949 8.0532 8.0532 11.0940 11.0940 11.5697 11.5697 11.6364 11.6364 k = 0.1047 0.0604 0.0427 ( 7811 PWs) bands (ev): -38.5347 -38.5347 -38.5231 -38.5231 -2.1733 -2.1733 -0.8058 -0.8058 -0.7972 -0.7972 0.8892 0.8892 0.9911 0.9911 1.0128 1.0128 5.2558 5.2558 7.4601 7.4601 7.7926 7.7926 8.1059 8.1059 11.0327 11.0327 11.5589 11.5589 11.6046 11.6046 k = 0.1163 0.0671 0.0475 ( 7814 PWs) bands (ev): -38.5346 -38.5346 -38.5232 -38.5232 -2.1516 -2.1516 -0.8063 -0.8063 -0.7958 -0.7958 0.8912 0.8912 0.9874 0.9874 1.0139 1.0139 5.1276 5.1276 7.4712 7.4712 7.7905 7.7905 8.1595 8.1595 10.9700 10.9700 11.5389 11.5389 11.5688 11.5688 k = 0.1279 0.0738 0.0522 ( 7808 PWs) bands (ev): -38.5345 -38.5345 -38.5232 -38.5232 -2.1277 -2.1277 -0.8069 -0.8069 -0.7943 -0.7943 0.8931 0.8931 0.9836 0.9836 1.0151 1.0151 4.9954 4.9954 7.4816 7.4816 7.7885 7.7885 8.2131 8.2131 10.9057 10.9057 11.5082 11.5082 11.5299 11.5299 k = 0.1395 0.0806 0.0570 ( 7814 PWs) bands (ev): -38.5344 -38.5344 -38.5233 -38.5233 -2.1015 -2.1015 -0.8075 -0.8075 -0.7926 -0.7926 0.8951 0.8951 0.9795 0.9795 1.0165 1.0165 4.8602 4.8602 7.4918 7.4918 7.7868 7.7868 8.2662 8.2662 10.8395 10.8395 11.4663 11.4663 11.4889 11.4889 k = 0.1512 0.0873 0.0617 ( 7829 PWs) bands (ev): -38.5343 -38.5343 -38.5234 -38.5234 -2.0732 -2.0732 -0.8082 -0.8082 -0.7909 -0.7909 0.8971 0.8971 0.9754 0.9754 1.0179 1.0179 4.7226 4.7226 7.5019 7.5019 7.7854 7.7854 8.3183 8.3183 10.7712 10.7712 11.4137 11.4137 11.4465 11.4465 k = 0.1628 0.0940 0.0665 ( 7829 PWs) bands (ev): -38.5342 -38.5342 -38.5235 -38.5235 -2.0427 -2.0427 -0.8089 -0.8089 -0.7891 -0.7891 0.8988 0.8988 0.9713 0.9713 1.0195 1.0195 4.5835 4.5835 7.5121 7.5121 7.7845 7.7845 8.3692 8.3692 10.7009 10.7009 11.3515 11.3515 11.4035 11.4035 k = 0.1744 0.1007 0.0712 ( 7826 PWs) bands (ev): -38.5341 -38.5341 -38.5237 -38.5237 -2.0101 -2.0101 -0.8097 -0.8097 -0.7872 -0.7872 0.9003 0.9003 0.9672 0.9672 1.0212 1.0212 4.4433 4.4433 7.5225 7.5225 7.7842 7.7842 8.4186 8.4186 10.6286 10.6286 11.2814 11.2814 11.3605 11.3605 k = 0.1860 0.1074 0.0760 ( 7814 PWs) bands (ev): -38.5340 -38.5340 -38.5238 -38.5238 -1.9753 -1.9753 -0.8105 -0.8105 -0.7853 -0.7853 0.9015 0.9015 0.9634 0.9634 1.0229 1.0229 4.3025 4.3025 7.5333 7.5333 7.7844 7.7844 8.4664 8.4664 10.5545 10.5545 11.2049 11.2049 11.3178 11.3178 k = 0.1977 0.1141 0.0807 ( 7826 PWs) bands (ev): -38.5338 -38.5338 -38.5239 -38.5239 -1.9386 -1.9386 -0.8114 -0.8114 -0.7833 -0.7833 0.9021 0.9021 0.9600 0.9600 1.0248 1.0248 4.1616 4.1616 7.5446 7.5446 7.7854 7.7854 8.5126 8.5126 10.4790 10.4790 11.1237 11.1237 11.2757 11.2757 k = 0.2093 0.1208 0.0854 ( 7826 PWs) bands (ev): -38.5337 -38.5337 -38.5240 -38.5240 -1.8998 -1.8998 -0.8123 -0.8123 -0.7813 -0.7813 0.9020 0.9020 0.9570 0.9570 1.0267 1.0267 4.0211 4.0211 7.5565 7.5565 7.7872 7.7872 8.5572 8.5572 10.4022 10.4022 11.0390 11.0390 11.2344 11.2344 k = 0.2209 0.1276 0.0902 ( 7826 PWs) bands (ev): -38.5336 -38.5336 -38.5242 -38.5242 -1.8591 -1.8591 -0.8132 -0.8132 -0.7792 -0.7792 0.9011 0.9011 0.9547 0.9547 1.0288 1.0288 3.8813 3.8813 7.5692 7.5692 7.7898 7.7898 8.6002 8.6002 10.3248 10.3248 10.9520 10.9520 11.1938 11.1938 k = 0.2326 0.1343 0.0949 ( 7838 PWs) bands (ev): -38.5334 -38.5334 -38.5243 -38.5243 -1.8165 -1.8165 -0.8142 -0.8142 -0.7772 -0.7772 0.8993 0.8993 0.9530 0.9530 1.0309 1.0309 3.7425 3.7425 7.5825 7.5825 7.7932 7.7932 8.6414 8.6414 10.2471 10.2471 10.8636 10.8636 11.1540 11.1540 k = 0.2442 0.1410 0.0997 ( 7838 PWs) bands (ev): -38.5332 -38.5332 -38.5244 -38.5244 -1.7720 -1.7720 -0.8152 -0.8152 -0.7751 -0.7751 0.8966 0.8966 0.9519 0.9519 1.0330 1.0330 3.6052 3.6052 7.5968 7.5968 7.7977 7.7977 8.6810 8.6810 10.1695 10.1695 10.7746 10.7746 11.1150 11.1150 k = 0.2558 0.1477 0.1044 ( 7832 PWs) bands (ev): -38.5331 -38.5331 -38.5246 -38.5246 -1.7259 -1.7259 -0.8162 -0.8162 -0.7731 -0.7731 0.8932 0.8932 0.9514 0.9514 1.0353 1.0353 3.4695 3.4695 7.6118 7.6118 7.8030 7.8030 8.7187 8.7187 10.0927 10.0927 10.6857 10.6857 11.0767 11.0767 k = 0.2674 0.1544 0.1092 ( 7835 PWs) bands (ev): -38.5329 -38.5329 -38.5248 -38.5248 -1.6781 -1.6781 -0.8173 -0.8173 -0.7711 -0.7711 0.8891 0.8891 0.9511 0.9511 1.0375 1.0375 3.3360 3.3360 7.6278 7.6278 7.8094 7.8094 8.7544 8.7544 10.0171 10.0171 10.5973 10.5973 11.0390 11.0390 k = 0.2791 0.1611 0.1139 ( 7835 PWs) bands (ev): -38.5327 -38.5327 -38.5249 -38.5249 -1.6287 -1.6287 -0.8183 -0.8183 -0.7691 -0.7691 0.8845 0.8845 0.9510 0.9510 1.0398 1.0398 3.2049 3.2049 7.6448 7.6448 7.8168 7.8168 8.7880 8.7880 9.9434 9.9434 10.5100 10.5100 11.0019 11.0019 k = 0.2907 0.1678 0.1187 ( 7835 PWs) bands (ev): -38.5326 -38.5326 -38.5251 -38.5251 -1.5780 -1.5780 -0.8194 -0.8194 -0.7672 -0.7672 0.8795 0.8795 0.9508 0.9508 1.0421 1.0421 3.0766 3.0766 7.6627 7.6627 7.8251 7.8251 8.8190 8.8190 9.8721 9.8721 10.4241 10.4241 10.9654 10.9654 k = 0.3023 0.1745 0.1234 ( 7846 PWs) bands (ev): -38.5324 -38.5324 -38.5253 -38.5253 -1.5259 -1.5259 -0.8205 -0.8205 -0.7653 -0.7653 0.8743 0.8743 0.9504 0.9504 1.0444 1.0444 2.9513 2.9513 7.6817 7.6817 7.8344 7.8344 8.8471 8.8471 9.8040 9.8040 10.3401 10.3401 10.9294 10.9294 k = 0.3140 0.1813 0.1282 ( 7843 PWs) bands (ev): -38.5322 -38.5322 -38.5254 -38.5254 -1.4729 -1.4729 -0.8215 -0.8215 -0.7635 -0.7635 0.8688 0.8688 0.9496 0.9496 1.0467 1.0467 2.8296 2.8296 7.7016 7.7016 7.8446 7.8446 8.8715 8.8715 9.7401 9.7401 10.2582 10.2582 10.8939 10.8939 k = 0.3256 0.1880 0.1329 ( 7855 PWs) bands (ev): -38.5320 -38.5320 -38.5256 -38.5256 -1.4189 -1.4189 -0.8226 -0.8226 -0.7618 -0.7618 0.8632 0.8632 0.9482 0.9482 1.0489 1.0489 2.7118 2.7118 7.7225 7.7225 7.8557 7.8557 8.8916 8.8916 9.6812 9.6812 10.1788 10.1788 10.8590 10.8590 k = 0.3372 0.1947 0.1377 ( 7855 PWs) bands (ev): -38.5318 -38.5318 -38.5258 -38.5258 -1.3643 -1.3643 -0.8236 -0.8236 -0.7602 -0.7602 0.8573 0.8573 0.9463 0.9463 1.0511 1.0511 2.5984 2.5984 7.7443 7.7443 7.8676 7.8676 8.9064 8.9064 9.6287 9.6287 10.1022 10.1022 10.8247 10.8247 k = 0.3488 0.2014 0.1424 ( 7855 PWs) bands (ev): -38.5316 -38.5316 -38.5260 -38.5260 -1.3093 -1.3093 -0.8246 -0.8246 -0.7587 -0.7587 0.8514 0.8514 0.9436 0.9436 1.0533 1.0533 2.4898 2.4898 7.7671 7.7671 7.8801 7.8801 8.9146 8.9146 9.5837 9.5837 10.0287 10.0287 10.7911 10.7911 k = 0.3605 0.2081 0.1472 ( 7843 PWs) bands (ev): -38.5314 -38.5314 -38.5262 -38.5262 -1.2543 -1.2543 -0.8256 -0.8256 -0.7574 -0.7574 0.8452 0.8452 0.9401 0.9401 1.0553 1.0553 2.3866 2.3866 7.7907 7.7907 7.8932 7.8932 8.9154 8.9154 9.5473 9.5473 9.9586 9.9586 10.7584 10.7584 k = 0.3721 0.2148 0.1519 ( 7855 PWs) bands (ev): -38.5312 -38.5312 -38.5264 -38.5264 -1.1996 -1.1996 -0.8265 -0.8265 -0.7561 -0.7561 0.8387 0.8387 0.9358 0.9358 1.0573 1.0573 2.2893 2.2893 7.8150 7.8150 7.9066 7.9066 8.9083 8.9083 9.5202 9.5202 9.8922 9.8922 10.7267 10.7267 k = 0.3837 0.2215 0.1567 ( 7855 PWs) bands (ev): -38.5310 -38.5310 -38.5266 -38.5266 -1.1457 -1.1457 -0.8273 -0.8273 -0.7551 -0.7551 0.8319 0.8319 0.9307 0.9307 1.0592 1.0592 2.1984 2.1984 7.8398 7.8398 7.9203 7.9203 8.8933 8.8933 9.5024 9.5024 9.8298 9.8298 10.6962 10.6962 k = 0.3953 0.2283 0.1614 ( 7843 PWs) bands (ev): -38.5307 -38.5307 -38.5268 -38.5268 -1.0932 -1.0932 -0.8281 -0.8281 -0.7542 -0.7542 0.8246 0.8246 0.9249 0.9249 1.0609 1.0609 2.1146 2.1146 7.8650 7.8650 7.9339 7.9339 8.8716 8.8716 9.4929 9.4929 9.7718 9.7718 10.6670 10.6670 k = 0.4070 0.2350 0.1661 ( 7840 PWs) bands (ev): -38.5305 -38.5305 -38.5270 -38.5270 -1.0425 -1.0425 -0.8288 -0.8288 -0.7535 -0.7535 0.8167 0.8167 0.9187 0.9187 1.0625 1.0625 2.0385 2.0385 7.8903 7.8903 7.9472 7.9472 8.8446 8.8446 9.4902 9.4902 9.7184 9.7184 10.6396 10.6396 k = 0.4186 0.2417 0.1709 ( 7855 PWs) bands (ev): -38.5303 -38.5303 -38.5272 -38.5272 -0.9945 -0.9945 -0.8295 -0.8295 -0.7531 -0.7531 0.8083 0.8083 0.9122 0.9122 1.0639 1.0639 1.9706 1.9706 7.9152 7.9152 7.9600 7.9600 8.8145 8.8145 9.4925 9.4925 9.6701 9.6701 10.6142 10.6142 k = 0.4302 0.2484 0.1756 ( 7861 PWs) bands (ev): -38.5301 -38.5301 -38.5274 -38.5274 -0.9498 -0.9498 -0.8301 -0.8301 -0.7530 -0.7530 0.7993 0.7993 0.9059 0.9059 1.0652 1.0652 1.9112 1.9112 7.9394 7.9394 7.9720 7.9720 8.7832 8.7832 9.4981 9.4981 9.6273 9.6273 10.5911 10.5911 k = 0.4419 0.2551 0.1804 ( 7843 PWs) bands (ev): -38.5299 -38.5299 -38.5276 -38.5276 -0.9093 -0.9093 -0.8306 -0.8306 -0.7533 -0.7533 0.7900 0.7900 0.9001 0.9001 1.0663 1.0663 1.8608 1.8608 7.9622 7.9622 7.9828 7.9828 8.7525 8.7525 9.5054 9.5054 9.5902 9.5902 10.5707 10.5707 k = 0.4535 0.2618 0.1851 ( 7846 PWs) bands (ev): -38.5296 -38.5296 -38.5279 -38.5279 -0.8737 -0.8737 -0.8310 -0.8310 -0.7542 -0.7542 0.7809 0.7809 0.8950 0.8950 1.0672 1.0672 1.8196 1.8196 7.9829 7.9829 7.9922 7.9922 8.7244 8.7244 9.5130 9.5130 9.5592 9.5592 10.5533 10.5533 k = 0.4651 0.2685 0.1899 ( 7828 PWs) bands (ev): -38.5294 -38.5294 -38.5281 -38.5281 -0.8439 -0.8439 -0.8313 -0.8313 -0.7558 -0.7558 0.7726 0.7726 0.8910 0.8910 1.0679 1.0679 1.7875 1.7875 7.9999 7.9999 8.0004 8.0004 8.7003 8.7003 9.5201 9.5201 9.5348 9.5348 10.5393 10.5393 k = 0.4767 0.2752 0.1946 ( 7819 PWs) bands (ev): -38.5292 -38.5292 -38.5283 -38.5283 -0.8316 -0.8316 -0.8205 -0.8205 -0.7583 -0.7583 0.7659 0.7659 0.8880 0.8880 1.0684 1.0684 1.7647 1.7647 8.0055 8.0055 8.0140 8.0140 8.6818 8.6818 9.5171 9.5171 9.5256 9.5256 10.5291 10.5291 k = 0.4884 0.2820 0.1994 ( 7819 PWs) bands (ev): -38.5290 -38.5290 -38.5285 -38.5285 -0.8317 -0.8317 -0.8048 -0.8048 -0.7612 -0.7612 0.7615 0.7615 0.8863 0.8863 1.0687 1.0687 1.7511 1.7511 8.0090 8.0090 8.0225 8.0225 8.6701 8.6701 9.5064 9.5064 9.5292 9.5292 10.5228 10.5228 k = 0.5000 0.2887 0.2041 ( 7786 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -0.8318 -0.8318 -0.7988 -0.7988 -0.7628 -0.7628 0.7600 0.7600 0.8857 0.8857 1.0688 1.0688 1.7465 1.7465 8.0102 8.0102 8.0255 8.0255 8.6661 8.6661 9.5028 9.5028 9.5305 9.5305 10.5207 10.5207 k = 0.5000 0.2887 0.2041 ( 7786 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -0.8318 -0.8318 -0.7988 -0.7988 -0.7628 -0.7628 0.7600 0.7600 0.8857 0.8857 1.0688 1.0688 1.7465 1.7465 8.0102 8.0102 8.0255 8.0255 8.6661 8.6661 9.5028 9.5028 9.5305 9.5305 10.5207 10.5207 k = 0.5040 0.2770 0.2107 ( 7815 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8414 -0.8414 -0.7979 -0.7979 -0.7539 -0.7539 0.7609 0.7609 0.8860 0.8860 1.0692 1.0692 1.7470 1.7470 7.9824 7.9824 8.0112 8.0112 8.6857 8.6857 9.5031 9.5031 9.5418 9.5418 10.5358 10.5358 k = 0.5081 0.2654 0.2173 ( 7819 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8616 -0.8616 -0.7969 -0.7969 -0.7339 -0.7339 0.7637 0.7637 0.8869 0.8869 1.0705 1.0705 1.7483 1.7483 7.9038 7.9038 7.9754 7.9754 8.7335 8.7335 9.4989 9.4989 9.5819 9.5819 10.5796 10.5796 k = 0.5121 0.2538 0.2239 ( 7821 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8850 -0.8850 -0.7962 -0.7962 -0.7099 -0.7099 0.7683 0.7683 0.8885 0.8885 1.0727 1.0727 1.7506 1.7506 7.7923 7.7923 7.9214 7.9214 8.7885 8.7885 9.4964 9.4964 9.6470 9.6470 10.6491 10.6491 k = 0.5161 0.2421 0.2305 ( 7820 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9093 -0.9093 -0.7956 -0.7956 -0.6844 -0.6844 0.7747 0.7747 0.8907 0.8907 1.0758 1.0758 1.7538 1.7538 7.6615 7.6615 7.8534 7.8534 8.8324 8.8324 9.5072 9.5072 9.7301 9.7301 10.7403 10.7403 k = 0.5202 0.2305 0.2370 ( 7826 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9339 -0.9339 -0.7949 -0.7949 -0.6584 -0.6584 0.7826 0.7826 0.8935 0.8935 1.0799 1.0799 1.7579 1.7579 7.5189 7.5189 7.7755 7.7755 8.8533 8.8533 9.5410 9.5410 9.8255 9.8255 10.8496 10.8496 k = 0.5242 0.2188 0.2436 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9584 -0.9584 -0.7941 -0.7941 -0.6321 -0.6321 0.7919 0.7919 0.8971 0.8971 1.0851 1.0851 1.7631 1.7631 7.3688 7.3688 7.6911 7.6911 8.8472 8.8472 9.6008 9.6008 9.9290 9.9290 10.9737 10.9737 k = 0.5282 0.2072 0.2502 ( 7830 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9826 -0.9826 -0.7932 -0.7932 -0.6058 -0.6058 0.8024 0.8024 0.9013 0.9013 1.0916 1.0916 1.7694 1.7694 7.2140 7.2140 7.6027 7.6027 8.8179 8.8179 9.6833 9.6833 10.0374 10.0374 11.1102 11.1102 k = 0.5323 0.1956 0.2568 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0064 -1.0064 -0.7921 -0.7921 -0.5796 -0.5796 0.8138 0.8138 0.9062 0.9062 1.0994 1.0994 1.7768 1.7768 7.0564 7.0564 7.5119 7.5119 8.7720 8.7720 9.7821 9.7821 10.1490 10.1490 11.2567 11.2567 k = 0.5363 0.1839 0.2634 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0297 -1.0297 -0.7910 -0.7910 -0.5536 -0.5536 0.8257 0.8257 0.9120 0.9120 1.1087 1.1087 1.7855 1.7855 6.8973 6.8973 7.4202 7.4202 8.7151 8.7151 9.8917 9.8917 10.2627 10.2627 11.4112 11.4112 k = 0.5403 0.1723 0.2700 ( 7830 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0526 -1.0526 -0.7898 -0.7898 -0.5279 -0.5279 0.8378 0.8378 0.9186 0.9186 1.1197 1.1197 1.7954 1.7954 6.7376 6.7376 7.3283 7.3283 8.6510 8.6510 10.0082 10.0082 10.3781 10.3781 11.5718 11.5718 k = 0.5444 0.1606 0.2766 ( 7832 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0749 -1.0749 -0.7884 -0.7884 -0.5026 -0.5026 0.8497 0.8497 0.9261 0.9261 1.1326 1.1326 1.8067 1.8067 6.5784 6.5784 7.2370 7.2370 8.5822 8.5822 10.1289 10.1289 10.4952 10.4952 11.7367 11.7367 k = 0.5484 0.1490 0.2831 ( 7829 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0966 -1.0966 -0.7870 -0.7870 -0.4778 -0.4778 0.8611 0.8611 0.9346 0.9346 1.1475 1.1475 1.8195 1.8195 6.4201 6.4201 7.1466 7.1466 8.5103 8.5103 10.2519 10.2519 10.6142 10.6142 11.9042 11.9042 k = 0.5524 0.1374 0.2897 ( 7827 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1177 -1.1177 -0.7856 -0.7856 -0.4535 -0.4535 0.8717 0.8717 0.9439 0.9439 1.1646 1.1646 1.8339 1.8339 6.2635 6.2635 7.0576 7.0576 8.4363 8.4363 10.3756 10.3756 10.7356 10.7356 12.0726 12.0726 k = 0.5565 0.1257 0.2963 ( 7829 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1382 -1.1382 -0.7840 -0.7840 -0.4298 -0.4298 0.8813 0.8813 0.9539 0.9539 1.1839 1.1839 1.8499 1.8499 6.1089 6.1089 6.9702 6.9702 8.3609 8.3609 10.4989 10.4989 10.8598 10.8598 12.2401 12.2401 k = 0.5605 0.1141 0.3029 ( 7838 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1580 -1.1580 -0.7825 -0.7825 -0.4067 -0.4067 0.8900 0.8900 0.9644 0.9644 1.2055 1.2055 1.8677 1.8677 5.9570 5.9570 6.8847 6.8847 8.2846 8.2846 10.6207 10.6207 10.9873 10.9873 12.4047 12.4047 k = 0.5645 0.1024 0.3095 ( 7834 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1772 -1.1772 -0.7809 -0.7809 -0.3844 -0.3844 0.8979 0.8979 0.9751 0.9751 1.2293 1.2293 1.8872 1.8872 5.8081 5.8081 6.8012 6.8012 8.2077 8.2077 10.7404 10.7404 11.1182 11.1182 12.5642 12.5642 k = 0.5685 0.0908 0.3161 ( 7831 PWs) bands (ev): -38.5289 -38.5289 -38.5286 -38.5286 -1.1957 -1.1957 -0.7793 -0.7793 -0.3628 -0.3628 0.9050 0.9050 0.9858 0.9858 1.2551 1.2551 1.9086 1.9086 5.6627 5.6627 6.7199 6.7199 8.1305 8.1305 10.8574 10.8574 11.2528 11.2528 12.7162 12.7162 k = 0.5726 0.0792 0.3226 ( 7837 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2135 -1.2135 -0.7776 -0.7776 -0.3422 -0.3422 0.9116 0.9116 0.9963 0.9963 1.2829 1.2829 1.9317 1.9317 5.5214 5.5214 6.6408 6.6408 8.0531 8.0531 10.9715 10.9715 11.3906 11.3906 12.8575 12.8575 k = 0.5766 0.0675 0.3292 ( 7838 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2306 -1.2306 -0.7760 -0.7760 -0.3224 -0.3224 0.9176 0.9176 1.0065 1.0065 1.3122 1.3122 1.9567 1.9567 5.3844 5.3844 6.5642 6.5642 7.9758 7.9758 11.0825 11.0825 11.5314 11.5314 12.9844 12.9844 k = 0.5806 0.0559 0.3358 ( 7834 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2470 -1.2470 -0.7744 -0.7744 -0.3036 -0.3036 0.9233 0.9233 1.0163 1.0163 1.3429 1.3429 1.9834 1.9834 5.2524 5.2524 6.4901 6.4901 7.8987 7.8987 11.1903 11.1903 11.6744 11.6744 13.0923 13.0923 k = 0.5847 0.0442 0.3424 ( 7832 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.2628 -1.2628 -0.7728 -0.7728 -0.2859 -0.2859 0.9286 0.9286 1.0257 1.0257 1.3747 1.3747 2.0116 2.0116 5.1260 5.1260 6.4186 6.4186 7.8219 7.8219 11.2950 11.2950 11.8188 11.8188 13.1769 13.1769 k = 0.5887 0.0326 0.3490 ( 7833 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.2778 -1.2778 -0.7712 -0.7712 -0.2693 -0.2693 0.9336 0.9336 1.0346 1.0346 1.4072 1.4072 2.0412 2.0412 5.0056 5.0056 6.3498 6.3498 7.7454 7.7454 11.3964 11.3964 11.9637 11.9637 13.2349 13.2349 k = 0.5927 0.0210 0.3556 ( 7837 PWs) bands (ev): -38.5291 -38.5291 -38.5284 -38.5284 -1.2922 -1.2922 -0.7697 -0.7697 -0.2538 -0.2538 0.9384 0.9384 1.0430 1.0430 1.4402 1.4402 2.0720 2.0720 4.8921 4.8921 6.2838 6.2838 7.6694 7.6694 11.4945 11.4945 12.1081 12.1081 13.2660 13.2660 k = 0.5968 0.0093 0.3622 ( 7839 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3060 -1.3060 -0.7682 -0.7682 -0.2396 -0.2396 0.9429 0.9429 1.0509 1.0509 1.4733 1.4733 2.1035 2.1035 4.7861 4.7861 6.2206 6.2206 7.5940 7.5940 11.5888 11.5888 12.2507 12.2507 13.2739 13.2739 k = 0.6008-0.0023 0.3687 ( 7841 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3191 -1.3191 -0.7668 -0.7668 -0.2267 -0.2267 0.9472 0.9472 1.0582 1.0582 1.5062 1.5062 2.1356 2.1356 4.6884 4.6884 6.1603 6.1603 7.5193 7.5193 11.6791 11.6791 12.3896 12.3896 13.2644 13.2644 k = 0.6048-0.0140 0.3753 ( 7845 PWs) bands (ev): -38.5292 -38.5292 -38.5282 -38.5282 -1.3315 -1.3315 -0.7654 -0.7654 -0.2152 -0.2152 0.9513 0.9513 1.0651 1.0651 1.5383 1.5383 2.1678 2.1678 4.5999 4.5999 6.1029 6.1029 7.4453 7.4453 11.7648 11.7648 12.5229 12.5229 13.2441 13.2441 k = 0.6089-0.0256 0.3819 ( 7851 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3434 -1.3434 -0.7642 -0.7642 -0.2051 -0.2051 0.9552 0.9552 1.0714 1.0714 1.5691 1.5691 2.2000 2.2000 4.5214 4.5214 6.0486 6.0486 7.3722 7.3722 11.8453 11.8453 12.6475 12.6475 13.2190 13.2190 k = 0.6129-0.0372 0.3885 ( 7853 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3546 -1.3546 -0.7630 -0.7630 -0.1965 -0.1965 0.9589 0.9589 1.0771 1.0771 1.5979 1.5979 2.2320 2.2320 4.4539 4.4539 5.9974 5.9974 7.3001 7.3001 11.9199 11.9199 12.7593 12.7593 13.1951 13.1951 k = 0.6169-0.0489 0.3951 ( 7844 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3653 -1.3653 -0.7619 -0.7619 -0.1894 -0.1894 0.9623 0.9623 1.0824 1.0824 1.6238 1.6238 2.2638 2.2638 4.3983 4.3983 5.9493 5.9493 7.2290 7.2290 11.9875 11.9875 12.8513 12.8513 13.1797 13.1797 k = 0.6210-0.0605 0.4017 ( 7848 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3755 -1.3755 -0.7608 -0.7608 -0.1839 -0.1839 0.9656 0.9656 1.0871 1.0871 1.6461 1.6461 2.2956 2.2956 4.3551 4.3551 5.9044 5.9044 7.1591 7.1591 12.0474 12.0474 12.9140 12.9140 13.1824 13.1824 k = 0.6250-0.0722 0.4082 ( 7850 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3851 -1.3851 -0.7599 -0.7599 -0.1801 -0.1801 0.9686 0.9686 1.0913 1.0913 1.6636 1.6636 2.3278 2.3278 4.3251 4.3251 5.8628 5.8628 7.0904 7.0904 12.0986 12.0986 12.9423 12.9423 13.2083 13.2083 k = 0.6250-0.0722 0.4082 ( 7850 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3851 -1.3851 -0.7599 -0.7599 -0.1801 -0.1801 0.9686 0.9686 1.0913 1.0913 1.6636 1.6636 2.3278 2.3278 4.3251 4.3251 5.8628 5.8628 7.0904 7.0904 12.0986 12.0986 12.9423 12.9423 13.2083 13.2083 k = 0.6181-0.0682 0.4196 ( 7846 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3849 -1.3849 -0.7599 -0.7599 -0.1799 -0.1799 0.9686 0.9686 1.0909 1.0909 1.6641 1.6641 2.3284 2.3284 4.3258 4.3258 5.8468 5.8468 7.1094 7.1094 12.0782 12.0782 12.9070 12.9070 13.2654 13.2654 k = 0.6111-0.0642 0.4309 ( 7851 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3845 -1.3845 -0.7600 -0.7600 -0.1795 -0.1795 0.9687 0.9687 1.0898 1.0898 1.6657 1.6657 2.3303 2.3303 4.3279 4.3279 5.8018 5.8018 7.1636 7.1636 12.0184 12.0184 12.8487 12.8487 13.3880 13.3880 k = 0.6042-0.0601 0.4423 ( 7855 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3837 -1.3837 -0.7602 -0.7602 -0.1789 -0.1789 0.9689 0.9689 1.0880 1.0880 1.6684 1.6684 2.3333 2.3333 4.3315 4.3315 5.7344 5.7344 7.2464 7.2464 11.9240 11.9240 12.8039 12.8039 13.5345 13.5345 k = 0.5972-0.0561 0.4536 ( 7846 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3827 -1.3827 -0.7605 -0.7605 -0.1780 -0.1780 0.9691 0.9691 1.0857 1.0857 1.6719 1.6719 2.3375 2.3375 4.3364 4.3364 5.6518 5.6518 7.3505 7.3505 11.8030 11.8030 12.7780 12.7780 13.6911 13.6911 k = 0.5903-0.0521 0.4649 ( 7846 PWs) bands (ev): -38.5294 -38.5294 -38.5279 -38.5279 -1.3814 -1.3814 -0.7607 -0.7607 -0.1768 -0.1768 0.9694 0.9694 1.0828 1.0828 1.6763 1.6763 2.3426 2.3426 4.3427 4.3427 5.5601 5.5601 7.4699 7.4699 11.6636 11.6636 12.7680 12.7680 13.8515 13.8515 k = 0.5833-0.0481 0.4763 ( 7859 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3799 -1.3799 -0.7611 -0.7611 -0.1754 -0.1754 0.9697 0.9697 1.0795 1.0795 1.6815 1.6815 2.3485 2.3485 4.3503 4.3503 5.4637 5.4637 7.6003 7.6003 11.5124 11.5124 12.7702 12.7702 14.0099 14.0099 k = 0.5764-0.0441 0.4876 ( 7853 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3782 -1.3782 -0.7614 -0.7614 -0.1739 -0.1739 0.9700 0.9700 1.0759 1.0759 1.6872 1.6872 2.3551 2.3551 4.3592 4.3592 5.3659 5.3659 7.7386 7.7386 11.3542 11.3542 12.7818 12.7818 14.1395 14.1395 k = 0.5694-0.0401 0.4990 ( 7844 PWs) bands (ev): -38.5293 -38.5293 -38.5280 -38.5280 -1.3764 -1.3764 -0.7618 -0.7618 -0.1721 -0.1721 0.9704 0.9704 1.0721 1.0721 1.6935 1.6935 2.3622 2.3622 4.3694 4.3694 5.2690 5.2690 7.8826 7.8826 11.1920 11.1920 12.8010 12.8010 14.1206 14.1206 k = 0.5625-0.0361 0.5103 ( 7848 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3745 -1.3745 -0.7622 -0.7622 -0.1702 -0.1702 0.9707 0.9707 1.0684 1.0684 1.7001 1.7001 2.3694 2.3694 4.3808 4.3808 5.1748 5.1748 8.0304 8.0304 11.0280 11.0280 12.8268 12.8268 14.0442 14.0442 k = 0.5556-0.0321 0.5217 ( 7844 PWs) bands (ev): -38.5292 -38.5292 -38.5281 -38.5281 -1.3726 -1.3726 -0.7626 -0.7626 -0.1683 -0.1683 0.9710 0.9710 1.0647 1.0647 1.7069 1.7069 2.3766 2.3766 4.3933 4.3933 5.0847 5.0847 8.1809 8.1809 10.8637 10.8637 12.8584 12.8584 13.9620 13.9620 k = 0.5486-0.0281 0.5330 ( 7860 PWs) bands (ev): -38.5292 -38.5292 -38.5282 -38.5282 -1.3707 -1.3707 -0.7630 -0.7630 -0.1662 -0.1662 0.9713 0.9713 1.0613 1.0613 1.7138 1.7138 2.3834 2.3834 4.4067 4.4067 5.0001 5.0001 8.3327 8.3327 10.7005 10.7005 12.8954 12.8954 13.8785 13.8785 k = 0.5417-0.0241 0.5443 ( 7851 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3689 -1.3689 -0.7634 -0.7634 -0.1642 -0.1642 0.9715 0.9715 1.0581 1.0581 1.7205 1.7205 2.3896 2.3896 4.4208 4.4208 4.9221 4.9221 8.4844 8.4844 10.5395 10.5395 12.9378 12.9378 13.7950 13.7950 k = 0.5347-0.0200 0.5557 ( 7855 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3673 -1.3673 -0.7637 -0.7637 -0.1623 -0.1623 0.9717 0.9717 1.0554 1.0554 1.7270 1.7270 2.3949 2.3949 4.4350 4.4350 4.8520 4.8520 8.6345 8.6345 10.3823 10.3823 12.9854 12.9854 13.7119 13.7119 k = 0.5278-0.0160 0.5670 ( 7854 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.3658 -1.3658 -0.7640 -0.7640 -0.1604 -0.1604 0.9717 0.9717 1.0531 1.0531 1.7330 1.7330 2.3991 2.3991 4.4489 4.4489 4.7913 4.7913 8.7807 8.7807 10.2309 10.2309 13.0381 13.0381 13.6295 13.6295 k = 0.5208-0.0120 0.5784 ( 7854 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.3645 -1.3645 -0.7642 -0.7642 -0.1589 -0.1589 0.9718 0.9718 1.0513 1.0513 1.7382 1.7382 2.4021 2.4021 4.4614 4.4614 4.7416 4.7416 8.9189 8.9189 10.0891 10.0891 13.0960 13.0960 13.5482 13.5482 k = 0.5139-0.0080 0.5897 ( 7863 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.3636 -1.3636 -0.7643 -0.7643 -0.1576 -0.1576 0.9718 0.9718 1.0501 1.0501 1.7425 1.7425 2.4039 2.4039 4.4711 4.4711 4.7048 4.7048 9.0417 9.0417 9.9641 9.9641 13.1589 13.1589 13.4683 13.4683 k = 0.5069-0.0040 0.6010 ( 7854 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.3630 -1.3630 -0.7644 -0.7644 -0.1568 -0.1568 0.9718 0.9718 1.0493 1.0493 1.7453 1.7453 2.4048 2.4048 4.4767 4.4767 4.6828 4.6828 9.1335 9.1335 9.8712 9.8712 13.2253 13.2253 13.3914 13.3914 k = 0.5000-0.0000 0.6124 ( 7848 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3628 -1.3628 -0.7645 -0.7645 -0.1565 -0.1565 0.9718 0.9718 1.0491 1.0491 1.7463 1.7463 2.4049 2.4049 4.4781 4.4781 4.6759 4.6759 9.1692 9.1692 9.8352 9.8352 13.2750 13.2750 13.3382 13.3382 k = 0.5000-0.0000 0.6124 ( 7848 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3628 -1.3628 -0.7645 -0.7645 -0.1565 -0.1565 0.9718 0.9718 1.0491 1.0491 1.7463 1.7463 2.4049 2.4049 4.4781 4.4781 4.6759 4.6759 9.1692 9.1692 9.8352 9.8352 13.2750 13.2750 13.3382 13.3382 k = 0.5000 0.0082 0.6007 ( 7854 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3623 -1.3623 -0.7645 -0.7645 -0.1571 -0.1571 0.9715 0.9715 1.0490 1.0490 1.7439 1.7439 2.4016 2.4016 4.4838 4.4838 4.6818 4.6818 9.1691 9.1691 9.8337 9.8337 13.2769 13.2769 13.3400 13.3400 k = 0.5000 0.0165 0.5890 ( 7862 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3607 -1.3607 -0.7647 -0.7647 -0.1590 -0.1590 0.9709 0.9709 1.0485 1.0485 1.7368 1.7368 2.3919 2.3919 4.5008 4.5008 4.6996 4.6996 9.1690 9.1690 9.8291 9.8291 13.2815 13.2815 13.3459 13.3459 k = 0.5000 0.0247 0.5774 ( 7854 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3582 -1.3582 -0.7650 -0.7650 -0.1622 -0.1622 0.9698 0.9698 1.0478 1.0478 1.7250 1.7250 2.3761 2.3761 4.5286 4.5286 4.7289 4.7289 9.1688 9.1688 9.8215 9.8215 13.2867 13.2867 13.3580 13.3580 k = 0.5000 0.0330 0.5657 ( 7858 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3546 -1.3546 -0.7653 -0.7653 -0.1666 -0.1666 0.9682 0.9682 1.0467 1.0467 1.7090 1.7090 2.3549 2.3549 4.5666 4.5666 4.7695 4.7695 9.1684 9.1684 9.8111 9.8111 13.2896 13.2896 13.3783 13.3783 k = 0.5000 0.0412 0.5541 ( 7852 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3499 -1.3499 -0.7658 -0.7658 -0.1722 -0.1722 0.9663 0.9663 1.0453 1.0453 1.6890 1.6890 2.3293 2.3293 4.6141 4.6141 4.8209 4.8209 9.1680 9.1680 9.7981 9.7981 13.2890 13.2890 13.4075 13.4075 k = 0.5000 0.0495 0.5424 ( 7852 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3443 -1.3443 -0.7664 -0.7664 -0.1792 -0.1792 0.9640 0.9640 1.0435 1.0435 1.6654 1.6654 2.2999 2.2999 4.6705 4.6705 4.8825 4.8825 9.1675 9.1675 9.7826 9.7826 13.2842 13.2842 13.4447 13.4447 k = 0.5000 0.0577 0.5307 ( 7858 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3376 -1.3376 -0.7671 -0.7671 -0.1873 -0.1873 0.9613 0.9613 1.0413 1.0413 1.6388 1.6388 2.2678 2.2678 4.7349 4.7349 4.9536 4.9536 9.1668 9.1668 9.7650 9.7650 13.2746 13.2746 13.4890 13.4890 k = 0.5000 0.0660 0.5191 ( 7844 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3299 -1.3299 -0.7679 -0.7679 -0.1967 -0.1967 0.9582 0.9582 1.0387 1.0387 1.6095 1.6095 2.2338 2.2338 4.8068 4.8068 5.0335 5.0335 9.1660 9.1660 9.7454 9.7454 13.2593 13.2593 13.5391 13.5391 k = 0.5000 0.0742 0.5074 ( 7852 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3212 -1.3212 -0.7688 -0.7688 -0.2074 -0.2074 0.9548 0.9548 1.0355 1.0355 1.5780 1.5780 2.1987 2.1987 4.8856 4.8856 5.1215 5.1215 9.1650 9.1650 9.7242 9.7242 13.2368 13.2368 13.5926 13.5926 k = 0.5000 0.0825 0.4957 ( 7836 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3116 -1.3116 -0.7697 -0.7697 -0.2193 -0.2193 0.9510 0.9510 1.0319 1.0319 1.5449 1.5449 2.1632 2.1632 4.9707 4.9707 5.2168 5.2168 9.1638 9.1638 9.7018 9.7018 13.2053 13.2053 13.6405 13.6405 k = 0.5000 0.0907 0.4841 ( 7832 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.3009 -1.3009 -0.7708 -0.7708 -0.2323 -0.2323 0.9469 0.9469 1.0277 1.0277 1.5106 1.5106 2.1279 2.1279 5.0617 5.0617 5.3187 5.3187 9.1624 9.1624 9.6783 9.6783 13.1625 13.1625 13.6273 13.6273 k = 0.5000 0.0990 0.4724 ( 7834 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.2893 -1.2893 -0.7719 -0.7719 -0.2466 -0.2466 0.9425 0.9425 1.0230 1.0230 1.4755 1.4755 2.0933 2.0933 5.1583 5.1583 5.4266 5.4266 9.1607 9.1607 9.6542 9.6542 13.1050 13.1050 13.4758 13.4758 k = 0.5000 0.1072 0.4607 ( 7828 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.2767 -1.2767 -0.7731 -0.7731 -0.2620 -0.2620 0.9378 0.9378 1.0177 1.0177 1.4401 1.4401 2.0598 2.0598 5.2601 5.2601 5.5397 5.5397 9.1587 9.1587 9.6297 9.6297 13.0271 13.0271 13.2872 13.2872 k = 0.5000 0.1155 0.4491 ( 7824 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.2632 -1.2632 -0.7744 -0.7744 -0.2785 -0.2785 0.9327 0.9327 1.0117 1.0117 1.4048 1.4048 2.0277 2.0277 5.3668 5.3668 5.6576 5.6576 9.1563 9.1563 9.6052 9.6052 12.9155 12.9155 13.1107 13.1107 k = 0.5000 0.1237 0.4374 ( 7826 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.2487 -1.2487 -0.7757 -0.7757 -0.2962 -0.2962 0.9273 0.9273 1.0052 1.0052 1.3701 1.3701 1.9973 1.9973 5.4781 5.4781 5.7797 5.7797 9.1534 9.1534 9.5810 9.5810 12.7559 12.7559 12.9665 12.9665 k = 0.5000 0.1320 0.4257 ( 7834 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.2333 -1.2333 -0.7770 -0.7770 -0.3149 -0.3149 0.9215 0.9215 0.9980 0.9980 1.3362 1.3362 1.9687 1.9687 5.5937 5.5937 5.9056 5.9056 9.1499 9.1499 9.5574 9.5574 12.5634 12.5634 12.8421 12.8421 k = 0.5000 0.1402 0.4141 ( 7830 PWs) bands (ev): -38.5287 -38.5287 -38.5287 -38.5287 -1.2170 -1.2170 -0.7784 -0.7784 -0.3346 -0.3346 0.9152 0.9152 0.9901 0.9901 1.3037 1.3037 1.9421 1.9421 5.7134 5.7134 6.0348 6.0348 9.1457 9.1457 9.5347 9.5347 12.3587 12.3587 12.7188 12.7188 k = 0.5000 0.1485 0.4024 ( 7826 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.1999 -1.1999 -0.7799 -0.7799 -0.3553 -0.3553 0.9085 0.9085 0.9817 0.9817 1.2729 1.2729 1.9174 1.9174 5.8369 5.8369 6.1667 6.1667 9.1405 9.1405 9.5133 9.5133 12.1503 12.1503 12.5901 12.5901 k = 0.5000 0.1567 0.3908 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.1819 -1.1819 -0.7813 -0.7813 -0.3769 -0.3769 0.9012 0.9012 0.9728 0.9728 1.2441 1.2441 1.8947 1.8947 5.9641 5.9641 6.3010 6.3010 9.1342 9.1342 9.4935 9.4935 11.9413 11.9413 12.4549 12.4549 k = 0.5000 0.1650 0.3791 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.1630 -1.1630 -0.7828 -0.7828 -0.3994 -0.3994 0.8932 0.8932 0.9636 0.9636 1.2176 1.2176 1.8741 1.8741 6.0946 6.0946 6.4372 6.4372 9.1265 9.1265 9.4757 9.4757 11.7332 11.7332 12.3136 12.3136 k = 0.5000 0.1732 0.3674 ( 7820 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.1434 -1.1434 -0.7842 -0.7842 -0.4226 -0.4226 0.8844 0.8844 0.9541 0.9541 1.1935 1.1935 1.8553 1.8553 6.2283 6.2283 6.5747 6.5747 9.1173 9.1173 9.4602 9.4602 11.5270 11.5270 12.1674 12.1674 k = 0.5000 0.1815 0.3558 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.1230 -1.1230 -0.7856 -0.7856 -0.4466 -0.4466 0.8747 0.8747 0.9448 0.9448 1.1721 1.1721 1.8384 1.8384 6.3649 6.3649 6.7130 6.7130 9.1062 9.1062 9.4473 9.4473 11.3232 11.3232 12.0176 12.0176 k = 0.5000 0.1897 0.3441 ( 7820 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.1018 -1.1018 -0.7870 -0.7870 -0.4712 -0.4712 0.8641 0.8641 0.9358 0.9358 1.1532 1.1532 1.8232 1.8232 6.5043 6.5043 6.8514 6.8514 9.0930 9.0930 9.4372 9.4372 11.1226 11.1226 11.8654 11.8654 k = 0.5000 0.1979 0.3324 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0800 -1.0800 -0.7884 -0.7884 -0.4964 -0.4964 0.8526 0.8526 0.9275 0.9275 1.1369 1.1369 1.8097 1.8097 6.6460 6.6460 6.9892 6.9892 9.0773 9.0773 9.4303 9.4303 10.9259 10.9259 11.7123 11.7123 k = 0.5000 0.2062 0.3208 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0574 -1.0574 -0.7897 -0.7897 -0.5222 -0.5222 0.8405 0.8405 0.9199 0.9199 1.1229 1.1229 1.7978 1.7978 6.7897 6.7897 7.1256 7.1256 9.0589 9.0589 9.4265 9.4265 10.7337 10.7337 11.5595 11.5595 k = 0.5000 0.2144 0.3091 ( 7820 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0343 -1.0343 -0.7909 -0.7909 -0.5483 -0.5483 0.8281 0.8281 0.9131 0.9131 1.1110 1.1110 1.7874 1.7874 6.9351 6.9351 7.2594 7.2594 9.0373 9.0373 9.4261 9.4261 10.5471 10.5471 11.4086 11.4086 k = 0.5000 0.2227 0.2974 ( 7824 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0106 -1.0106 -0.7920 -0.7920 -0.5748 -0.5748 0.8159 0.8159 0.9071 0.9071 1.1011 1.1011 1.7783 1.7783 7.0816 7.0816 7.3894 7.3894 9.0120 9.0120 9.4290 9.4290 10.3675 10.3675 11.2611 11.2611 k = 0.5000 0.2309 0.2858 ( 7824 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9863 -0.9863 -0.7930 -0.7930 -0.6016 -0.6016 0.8041 0.8041 0.9020 0.9020 1.0928 1.0928 1.7705 1.7705 7.2284 7.2284 7.5139 7.5139 8.9821 8.9821 9.4351 9.4351 10.1965 10.1965 11.1189 11.1189 k = 0.5000 0.2392 0.2741 ( 7820 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9617 -0.9617 -0.7940 -0.7940 -0.6285 -0.6285 0.7932 0.7932 0.8976 0.8976 1.0860 1.0860 1.7639 1.7639 7.3746 7.3746 7.6311 7.6311 8.9466 8.9466 9.4443 9.4443 10.0368 10.0368 10.9843 10.9843 k = 0.5000 0.2474 0.2624 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9367 -0.9367 -0.7948 -0.7948 -0.6554 -0.6554 0.7836 0.7836 0.8939 0.8939 1.0805 1.0805 1.7585 1.7585 7.5185 7.5185 7.7385 7.7385 8.9042 8.9042 9.4562 9.4562 9.8916 9.8916 10.8597 10.8597 k = 0.5000 0.2557 0.2508 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9116 -0.9116 -0.7955 -0.7955 -0.6821 -0.6821 0.7753 0.7753 0.8909 0.8909 1.0761 1.0761 1.7541 1.7541 7.6575 7.6575 7.8333 7.8333 8.8540 8.8540 9.4700 9.4700 9.7651 9.7651 10.7484 10.7484 k = 0.5000 0.2639 0.2391 ( 7822 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8866 -0.8866 -0.7962 -0.7962 -0.7082 -0.7082 0.7687 0.7687 0.8886 0.8886 1.0729 1.0729 1.7508 1.7508 7.7873 7.7873 7.9123 7.9123 8.7965 8.7965 9.4842 9.4842 9.6619 9.6619 10.6544 10.6544 k = 0.5000 0.2722 0.2275 ( 7818 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8626 -0.8626 -0.7969 -0.7969 -0.7328 -0.7328 0.7639 0.7639 0.8870 0.8870 1.0706 1.0706 1.7484 1.7484 7.9001 7.9001 7.9723 7.9723 8.7365 8.7365 9.4964 9.4964 9.5863 9.5863 10.5823 10.5823 k = 0.5000 0.2804 0.2158 ( 7818 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8418 -0.8418 -0.7979 -0.7979 -0.7535 -0.7535 0.7610 0.7610 0.8860 0.8860 1.0693 1.0693 1.7470 1.7470 7.9812 7.9812 8.0106 8.0106 8.6865 8.6865 9.5030 9.5030 9.5425 9.5425 10.5365 10.5365 k = 0.5000 0.2887 0.2041 ( 7786 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -0.8318 -0.8318 -0.7988 -0.7988 -0.7628 -0.7628 0.7600 0.7600 0.8857 0.8857 1.0688 1.0688 1.7465 1.7465 8.0102 8.0102 8.0255 8.0255 8.6661 8.6661 9.5028 9.5028 9.5305 9.5305 10.5207 10.5207 k = 0.5000 0.2887 0.2041 ( 7786 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -0.8318 -0.8318 -0.7988 -0.7988 -0.7628 -0.7628 0.7600 0.7600 0.8857 0.8857 1.0688 1.0688 1.7465 1.7465 8.0102 8.0102 8.0255 8.0255 8.6661 8.6661 9.5028 9.5028 9.5305 9.5305 10.5207 10.5207 k = 0.4960 0.2863 0.2173 ( 7815 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8414 -0.8414 -0.7979 -0.7979 -0.7539 -0.7539 0.7609 0.7609 0.8860 0.8860 1.0692 1.0692 1.7470 1.7470 7.9824 7.9824 8.0112 8.0112 8.6857 8.6857 9.5031 9.5031 9.5418 9.5418 10.5358 10.5358 k = 0.4919 0.2840 0.2305 ( 7819 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8616 -0.8616 -0.7969 -0.7969 -0.7339 -0.7339 0.7637 0.7637 0.8869 0.8869 1.0705 1.0705 1.7483 1.7483 7.9038 7.9038 7.9754 7.9754 8.7335 8.7335 9.4989 9.4989 9.5819 9.5819 10.5796 10.5796 k = 0.4879 0.2817 0.2436 ( 7821 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.8850 -0.8850 -0.7962 -0.7962 -0.7099 -0.7099 0.7683 0.7683 0.8885 0.8885 1.0727 1.0727 1.7506 1.7506 7.7923 7.7923 7.9214 7.9214 8.7885 8.7885 9.4964 9.4964 9.6470 9.6470 10.6491 10.6491 k = 0.4839 0.2794 0.2568 ( 7820 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9093 -0.9093 -0.7956 -0.7956 -0.6844 -0.6844 0.7747 0.7747 0.8907 0.8907 1.0758 1.0758 1.7538 1.7538 7.6615 7.6615 7.8534 7.8534 8.8324 8.8324 9.5072 9.5072 9.7301 9.7301 10.7403 10.7403 k = 0.4798 0.2770 0.2700 ( 7826 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9339 -0.9339 -0.7949 -0.7949 -0.6584 -0.6584 0.7826 0.7826 0.8935 0.8935 1.0799 1.0799 1.7579 1.7579 7.5189 7.5189 7.7755 7.7755 8.8533 8.8533 9.5410 9.5410 9.8255 9.8255 10.8496 10.8496 k = 0.4758 0.2747 0.2831 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9584 -0.9584 -0.7941 -0.7941 -0.6321 -0.6321 0.7919 0.7919 0.8971 0.8971 1.0851 1.0851 1.7631 1.7631 7.3688 7.3688 7.6911 7.6911 8.8472 8.8472 9.6008 9.6008 9.9290 9.9290 10.9737 10.9737 k = 0.4718 0.2724 0.2963 ( 7830 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -0.9826 -0.9826 -0.7932 -0.7932 -0.6058 -0.6058 0.8024 0.8024 0.9013 0.9013 1.0916 1.0916 1.7694 1.7694 7.2140 7.2140 7.6027 7.6027 8.8179 8.8179 9.6833 9.6833 10.0374 10.0374 11.1102 11.1102 k = 0.4677 0.2701 0.3095 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0064 -1.0064 -0.7921 -0.7921 -0.5796 -0.5796 0.8138 0.8138 0.9062 0.9062 1.0994 1.0994 1.7768 1.7768 7.0564 7.0564 7.5119 7.5119 8.7720 8.7720 9.7821 9.7821 10.1490 10.1490 11.2567 11.2567 k = 0.4637 0.2677 0.3226 ( 7828 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0297 -1.0297 -0.7910 -0.7910 -0.5536 -0.5536 0.8257 0.8257 0.9120 0.9120 1.1087 1.1087 1.7855 1.7855 6.8973 6.8973 7.4202 7.4202 8.7151 8.7151 9.8917 9.8917 10.2627 10.2627 11.4112 11.4112 k = 0.4597 0.2654 0.3358 ( 7830 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0526 -1.0526 -0.7898 -0.7898 -0.5279 -0.5279 0.8378 0.8378 0.9186 0.9186 1.1197 1.1197 1.7954 1.7954 6.7376 6.7376 7.3283 7.3283 8.6510 8.6510 10.0082 10.0082 10.3781 10.3781 11.5718 11.5718 k = 0.4556 0.2631 0.3490 ( 7832 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0749 -1.0749 -0.7884 -0.7884 -0.5026 -0.5026 0.8497 0.8497 0.9261 0.9261 1.1326 1.1326 1.8067 1.8067 6.5784 6.5784 7.2370 7.2370 8.5822 8.5822 10.1289 10.1289 10.4952 10.4952 11.7367 11.7367 k = 0.4516 0.2607 0.3622 ( 7829 PWs) bands (ev): -38.5288 -38.5288 -38.5287 -38.5287 -1.0966 -1.0966 -0.7870 -0.7870 -0.4778 -0.4778 0.8611 0.8611 0.9346 0.9346 1.1475 1.1475 1.8195 1.8195 6.4201 6.4201 7.1466 7.1466 8.5103 8.5103 10.2519 10.2519 10.6142 10.6142 11.9042 11.9042 k = 0.4476 0.2584 0.3753 ( 7827 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1177 -1.1177 -0.7856 -0.7856 -0.4535 -0.4535 0.8717 0.8717 0.9439 0.9439 1.1646 1.1646 1.8339 1.8339 6.2635 6.2635 7.0576 7.0576 8.4363 8.4363 10.3756 10.3756 10.7356 10.7356 12.0726 12.0726 k = 0.4435 0.2561 0.3885 ( 7829 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1382 -1.1382 -0.7840 -0.7840 -0.4298 -0.4298 0.8813 0.8813 0.9539 0.9539 1.1839 1.1839 1.8499 1.8499 6.1089 6.1089 6.9702 6.9702 8.3609 8.3609 10.4989 10.4989 10.8598 10.8598 12.2401 12.2401 k = 0.4395 0.2538 0.4017 ( 7838 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1580 -1.1580 -0.7825 -0.7825 -0.4067 -0.4067 0.8900 0.8900 0.9644 0.9644 1.2055 1.2055 1.8677 1.8677 5.9570 5.9570 6.8847 6.8847 8.2846 8.2846 10.6207 10.6207 10.9873 10.9873 12.4047 12.4047 k = 0.4355 0.2514 0.4148 ( 7834 PWs) bands (ev): -38.5288 -38.5288 -38.5286 -38.5286 -1.1772 -1.1772 -0.7809 -0.7809 -0.3844 -0.3844 0.8979 0.8979 0.9751 0.9751 1.2293 1.2293 1.8872 1.8872 5.8081 5.8081 6.8012 6.8012 8.2077 8.2077 10.7404 10.7404 11.1182 11.1182 12.5642 12.5642 k = 0.4315 0.2491 0.4280 ( 7831 PWs) bands (ev): -38.5289 -38.5289 -38.5286 -38.5286 -1.1957 -1.1957 -0.7793 -0.7793 -0.3628 -0.3628 0.9050 0.9050 0.9858 0.9858 1.2551 1.2551 1.9086 1.9086 5.6627 5.6627 6.7199 6.7199 8.1305 8.1305 10.8574 10.8574 11.2528 11.2528 12.7162 12.7162 k = 0.4274 0.2468 0.4412 ( 7837 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2135 -1.2135 -0.7776 -0.7776 -0.3422 -0.3422 0.9116 0.9116 0.9963 0.9963 1.2829 1.2829 1.9317 1.9317 5.5214 5.5214 6.6408 6.6408 8.0531 8.0531 10.9715 10.9715 11.3906 11.3906 12.8575 12.8575 k = 0.4234 0.2444 0.4543 ( 7838 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2306 -1.2306 -0.7760 -0.7760 -0.3224 -0.3224 0.9176 0.9176 1.0065 1.0065 1.3122 1.3122 1.9567 1.9567 5.3844 5.3844 6.5642 6.5642 7.9758 7.9758 11.0825 11.0825 11.5314 11.5314 12.9844 12.9844 k = 0.4194 0.2421 0.4675 ( 7834 PWs) bands (ev): -38.5289 -38.5289 -38.5285 -38.5285 -1.2470 -1.2470 -0.7744 -0.7744 -0.3036 -0.3036 0.9233 0.9233 1.0163 1.0163 1.3429 1.3429 1.9834 1.9834 5.2524 5.2524 6.4901 6.4901 7.8987 7.8987 11.1903 11.1903 11.6744 11.6744 13.0923 13.0923 k = 0.4153 0.2398 0.4807 ( 7832 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.2628 -1.2628 -0.7728 -0.7728 -0.2859 -0.2859 0.9286 0.9286 1.0257 1.0257 1.3747 1.3747 2.0116 2.0116 5.1260 5.1260 6.4186 6.4186 7.8219 7.8219 11.2950 11.2950 11.8188 11.8188 13.1769 13.1769 k = 0.4113 0.2375 0.4938 ( 7833 PWs) bands (ev): -38.5290 -38.5290 -38.5284 -38.5284 -1.2778 -1.2778 -0.7712 -0.7712 -0.2693 -0.2693 0.9336 0.9336 1.0346 1.0346 1.4072 1.4072 2.0412 2.0412 5.0056 5.0056 6.3498 6.3498 7.7454 7.7454 11.3964 11.3964 11.9637 11.9637 13.2349 13.2349 k = 0.4073 0.2351 0.5070 ( 7837 PWs) bands (ev): -38.5291 -38.5291 -38.5284 -38.5284 -1.2922 -1.2922 -0.7697 -0.7697 -0.2538 -0.2538 0.9384 0.9384 1.0430 1.0430 1.4402 1.4402 2.0720 2.0720 4.8921 4.8921 6.2838 6.2838 7.6694 7.6694 11.4945 11.4945 12.1081 12.1081 13.2660 13.2660 k = 0.4032 0.2328 0.5202 ( 7839 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3060 -1.3060 -0.7682 -0.7682 -0.2396 -0.2396 0.9429 0.9429 1.0509 1.0509 1.4733 1.4733 2.1035 2.1035 4.7861 4.7861 6.2206 6.2206 7.5940 7.5940 11.5888 11.5888 12.2507 12.2507 13.2739 13.2739 k = 0.3992 0.2305 0.5334 ( 7841 PWs) bands (ev): -38.5291 -38.5291 -38.5283 -38.5283 -1.3191 -1.3191 -0.7668 -0.7668 -0.2267 -0.2267 0.9472 0.9472 1.0582 1.0582 1.5062 1.5062 2.1356 2.1356 4.6884 4.6884 6.1603 6.1603 7.5193 7.5193 11.6791 11.6791 12.3896 12.3896 13.2644 13.2644 k = 0.3952 0.2281 0.5465 ( 7845 PWs) bands (ev): -38.5292 -38.5292 -38.5282 -38.5282 -1.3315 -1.3315 -0.7654 -0.7654 -0.2152 -0.2152 0.9513 0.9513 1.0651 1.0651 1.5383 1.5383 2.1678 2.1678 4.5999 4.5999 6.1029 6.1029 7.4453 7.4453 11.7648 11.7648 12.5229 12.5229 13.2441 13.2441 k = 0.3911 0.2258 0.5597 ( 7851 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3434 -1.3434 -0.7642 -0.7642 -0.2051 -0.2051 0.9552 0.9552 1.0714 1.0714 1.5691 1.5691 2.2000 2.2000 4.5214 4.5214 6.0486 6.0486 7.3722 7.3722 11.8453 11.8453 12.6475 12.6475 13.2190 13.2190 k = 0.3871 0.2235 0.5729 ( 7853 PWs) bands (ev): -38.5293 -38.5293 -38.5281 -38.5281 -1.3546 -1.3546 -0.7630 -0.7630 -0.1965 -0.1965 0.9589 0.9589 1.0771 1.0771 1.5979 1.5979 2.2320 2.2320 4.4539 4.4539 5.9974 5.9974 7.3001 7.3001 11.9199 11.9199 12.7593 12.7593 13.1951 13.1951 k = 0.3831 0.2212 0.5860 ( 7844 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3653 -1.3653 -0.7619 -0.7619 -0.1894 -0.1894 0.9623 0.9623 1.0824 1.0824 1.6238 1.6238 2.2638 2.2638 4.3983 4.3983 5.9493 5.9493 7.2290 7.2290 11.9875 11.9875 12.8513 12.8513 13.1797 13.1797 k = 0.3790 0.2188 0.5992 ( 7848 PWs) bands (ev): -38.5294 -38.5294 -38.5280 -38.5280 -1.3755 -1.3755 -0.7608 -0.7608 -0.1839 -0.1839 0.9656 0.9656 1.0871 1.0871 1.6461 1.6461 2.2956 2.2956 4.3551 4.3551 5.9044 5.9044 7.1591 7.1591 12.0474 12.0474 12.9140 12.9140 13.1824 13.1824 k = 0.3750 0.2165 0.6124 ( 7850 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3851 -1.3851 -0.7599 -0.7599 -0.1801 -0.1801 0.9686 0.9686 1.0913 1.0913 1.6636 1.6636 2.3278 2.3278 4.3251 4.3251 5.8628 5.8628 7.0904 7.0904 12.0986 12.0986 12.9423 12.9423 13.2083 13.2083 k = 0.6250-0.0722 0.4082 ( 7850 PWs) bands (ev): -38.5295 -38.5295 -38.5279 -38.5279 -1.3851 -1.3851 -0.7599 -0.7599 -0.1801 -0.1801 0.9686 0.9686 1.0913 1.0913 1.6636 1.6636 2.3278 2.3278 4.3251 4.3251 5.8628 5.8628 7.0904 7.0904 12.0986 12.0986 12.9423 12.9423 13.2083 13.2083 k = 0.6181-0.0842 0.4082 ( 7852 PWs) bands (ev): -38.5296 -38.5296 -38.5278 -38.5278 -1.4012 -1.4012 -0.7584 -0.7584 -0.1755 -0.1755 0.9733 0.9733 1.0981 1.0981 1.6864 1.6864 2.3895 2.3895 4.2860 4.2860 5.7954 5.7954 6.9726 6.9726 12.1676 12.1676 12.9522 12.9522 13.2962 13.2962 k = 0.6111-0.0962 0.4082 ( 7844 PWs) bands (ev): -38.5297 -38.5297 -38.5276 -38.5276 -1.4172 -1.4172 -0.7570 -0.7570 -0.1718 -0.1718 0.9774 0.9774 1.1048 1.1048 1.7043 1.7043 2.4611 2.4611 4.2489 4.2489 5.7310 5.7310 6.8532 6.8532 12.2101 12.2101 12.9669 12.9669 13.4120 13.4120 k = 0.6042-0.1083 0.4082 ( 7840 PWs) bands (ev): -38.5298 -38.5298 -38.5275 -38.5275 -1.4330 -1.4330 -0.7557 -0.7557 -0.1690 -0.1690 0.9811 0.9811 1.1114 1.1114 1.7179 1.7179 2.5413 2.5413 4.2138 4.2138 5.6696 5.6696 6.7325 6.7325 12.2234 12.2234 13.0079 13.0079 13.5363 13.5363 k = 0.5972-0.1203 0.4082 ( 7838 PWs) bands (ev): -38.5299 -38.5299 -38.5274 -38.5274 -1.4483 -1.4483 -0.7545 -0.7545 -0.1668 -0.1668 0.9844 0.9844 1.1179 1.1179 1.7281 1.7281 2.6286 2.6286 4.1809 4.1809 5.6113 5.6113 6.6108 6.6108 12.2118 12.2118 13.0760 13.0760 13.6630 13.6630 k = 0.5903-0.1323 0.4082 ( 7848 PWs) bands (ev): -38.5300 -38.5300 -38.5273 -38.5273 -1.4631 -1.4631 -0.7534 -0.7534 -0.1651 -0.1651 0.9873 0.9873 1.1242 1.1242 1.7358 1.7358 2.7217 2.7217 4.1501 4.1501 5.5562 5.5562 6.4886 6.4886 12.1836 12.1836 13.1642 13.1642 13.7895 13.7895 k = 0.5833-0.1443 0.4082 ( 7856 PWs) bands (ev): -38.5301 -38.5301 -38.5273 -38.5273 -1.4773 -1.4773 -0.7523 -0.7523 -0.1639 -0.1639 0.9899 0.9899 1.1303 1.1303 1.7415 1.7415 2.8194 2.8194 4.1214 4.1214 5.5042 5.5042 6.3663 6.3663 12.1464 12.1464 13.2648 13.2648 13.9147 13.9147 k = 0.5764-0.1564 0.4082 ( 7854 PWs) bands (ev): -38.5302 -38.5302 -38.5272 -38.5272 -1.4907 -1.4907 -0.7514 -0.7514 -0.1629 -0.1629 0.9922 0.9922 1.1361 1.1361 1.7458 1.7458 2.9205 2.9205 4.0950 4.0950 5.4554 5.4554 6.2445 6.2445 12.1055 12.1055 13.3722 13.3722 14.0376 14.0376 k = 0.5694-0.1684 0.4082 ( 7854 PWs) bands (ev): -38.5303 -38.5303 -38.5271 -38.5271 -1.5033 -1.5033 -0.7505 -0.7505 -0.1623 -0.1623 0.9942 0.9942 1.1416 1.1416 1.7490 1.7490 3.0240 3.0240 4.0707 4.0707 5.4095 5.4095 6.1240 6.1240 12.0641 12.0641 13.4819 13.4819 14.1574 14.1574 k = 0.5625-0.1804 0.4082 ( 7874 PWs) bands (ev): -38.5304 -38.5304 -38.5270 -38.5270 -1.5150 -1.5150 -0.7497 -0.7497 -0.1618 -0.1618 0.9959 0.9959 1.1468 1.1468 1.7514 1.7514 3.1287 3.1287 4.0486 4.0486 5.3665 5.3665 6.0057 6.0057 12.0243 12.0243 13.5909 13.5909 14.2736 14.2736 k = 0.5556-0.1925 0.4082 ( 7868 PWs) bands (ev): -38.5304 -38.5304 -38.5270 -38.5270 -1.5257 -1.5257 -0.7490 -0.7490 -0.1614 -0.1614 0.9975 0.9975 1.1515 1.1515 1.7532 1.7532 3.2336 3.2336 4.0288 4.0288 5.3260 5.3260 5.8910 5.8910 11.9873 11.9873 13.6964 13.6964 14.3852 14.3852 k = 0.5486-0.2045 0.4082 ( 7864 PWs) bands (ev): -38.5305 -38.5305 -38.5269 -38.5269 -1.5352 -1.5352 -0.7484 -0.7484 -0.1612 -0.1612 0.9988 0.9988 1.1558 1.1558 1.7546 1.7546 3.3372 3.3372 4.0111 4.0111 5.2875 5.2875 5.7816 5.7816 11.9538 11.9538 13.7960 13.7960 14.4914 14.4914 k = 0.5417-0.2165 0.4082 ( 7872 PWs) bands (ev): -38.5305 -38.5305 -38.5269 -38.5269 -1.5437 -1.5437 -0.7478 -0.7478 -0.1611 -0.1611 0.9999 0.9999 1.1597 1.1597 1.7557 1.7557 3.4379 3.4379 3.9957 3.9957 5.2502 5.2502 5.6799 5.6799 11.9243 11.9243 13.8877 13.8877 14.5908 14.5908 k = 0.5347-0.2285 0.4082 ( 7862 PWs) bands (ev): -38.5306 -38.5306 -38.5268 -38.5268 -1.5509 -1.5509 -0.7474 -0.7474 -0.1610 -0.1610 1.0009 1.0009 1.1630 1.1630 1.7565 1.7565 3.5335 3.5335 3.9826 3.9826 5.2133 5.2133 5.5890 5.5890 11.8990 11.8990 13.9693 13.9693 14.6818 14.6818 k = 0.5278-0.2406 0.4082 ( 7860 PWs) bands (ev): -38.5306 -38.5306 -38.5268 -38.5268 -1.5569 -1.5569 -0.7470 -0.7470 -0.1610 -0.1610 1.0016 1.0016 1.1657 1.1657 1.7571 1.7571 3.6214 3.6214 3.9715 3.9715 5.1760 5.1760 5.5123 5.5123 11.8782 11.8782 14.0388 14.0388 14.7622 14.7622 k = 0.5208-0.2526 0.4082 ( 7864 PWs) bands (ev): -38.5306 -38.5306 -38.5268 -38.5268 -1.5615 -1.5615 -0.7467 -0.7467 -0.1609 -0.1609 1.0022 1.0022 1.1679 1.1679 1.7575 1.7575 3.6977 3.6977 3.9626 3.9626 5.1391 5.1391 5.4527 5.4527 11.8619 11.8619 14.0948 14.0948 14.8294 14.8294 k = 0.5139-0.2646 0.4082 ( 7876 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5649 -1.5649 -0.7465 -0.7465 -0.1609 -0.1609 1.0026 1.0026 1.1695 1.1695 1.7578 1.7578 3.7582 3.7582 3.9558 3.9558 5.1061 5.1061 5.4115 5.4115 11.8502 11.8502 14.1357 14.1357 14.8805 14.8805 k = 0.5069-0.2766 0.4082 ( 7876 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5669 -1.5669 -0.7464 -0.7464 -0.1609 -0.1609 1.0029 1.0029 1.1704 1.1704 1.7580 1.7580 3.7977 3.7977 3.9511 3.9511 5.0825 5.0825 5.3878 5.3878 11.8432 11.8432 14.1607 14.1607 14.9126 14.9126 k = 0.5000-0.2887 0.4082 ( 7880 PWs) bands (ev): -38.5307 -38.5307 -38.5267 -38.5267 -1.5676 -1.5676 -0.7464 -0.7464 -0.1609 -0.1609 1.0030 1.0030 1.1707 1.1707 1.7581 1.7581 3.8116 3.8116 3.9494 3.9494 5.0739 5.0739 5.3801 5.3801 11.8408 11.8408 14.1691 14.1691 14.9235 14.9235 Writing output data file Li2HgGe.save init_run : 0.23s CPU 0.36s WALL ( 1 calls) electrons : 152.28s CPU 154.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 152.28s CPU 154.61s 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 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 331 calls) cegterg : 137.45s CPU 138.86s WALL ( 484 calls) Called by sum_band: Called by *egterg: h_psi : 106.25s CPU 107.36s WALL ( 8133 calls) s_psi : 2.17s CPU 2.25s WALL ( 8133 calls) g_psi : 0.32s CPU 0.32s WALL ( 7318 calls) cdiaghg : 26.90s CPU 27.19s WALL ( 7649 calls) cegterg:over : 4.62s CPU 4.69s WALL ( 7318 calls) cegterg:upda : 4.86s CPU 4.89s WALL ( 7318 calls) cegterg:last : 2.38s CPU 2.45s WALL ( 1478 calls) cdiaghg:chol : 1.74s CPU 1.64s WALL ( 7649 calls) cdiaghg:inve : 0.56s CPU 0.63s WALL ( 7649 calls) cdiaghg:para : 1.61s CPU 1.63s WALL ( 15298 calls) Called by h_psi: h_psi:vloc : 100.25s CPU 101.35s WALL ( 8133 calls) h_psi:vnl : 5.80s CPU 5.76s WALL ( 8133 calls) add_vuspsi : 2.64s CPU 2.74s WALL ( 8133 calls) General routines calbec : 3.12s CPU 3.01s WALL ( 8133 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 94.92s CPU 95.98s WALL ( 566244 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.65s WALL ( 662 calls) Parallel routines fft_scatter : 30.16s CPU 30.39s WALL ( 566267 calls) PWSCF : 2m46.54s CPU 2m58.37s WALL This run was terminated on: 19:10:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=