Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:42:15 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: ./Mg2Si.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 54 32 9 1565 734 117 Max 55 33 10 1567 755 121 Sum 1945 1177 349 56377 26813 4279 bravais-lattice index = 14 lattice parameter (alat) = 8.5399 a.u. unit-cell volume = 440.3956 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.539897 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030120 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030120 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030120 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030120 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030120 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030120 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030120 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030120 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030120 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030120 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030120 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030120 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030120 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030120 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030120 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030120 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030120 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030120 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030120 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030120 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030120 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030120 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030120 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030120 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030120 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030120 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030120 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030120 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030120 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030120 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030120 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030120 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030120 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030120 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030120 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030120 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030120 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030120 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030120 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030120 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030120 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030120 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030120 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030120 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030120 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030120 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030120 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030120 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030120 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030120 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030120 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030120 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030120 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030120 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030120 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030120 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030120 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030120 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030120 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030120 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030120 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030120 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030120 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030120 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030120 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030120 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030120 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030120 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030120 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030120 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030120 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030120 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030120 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030120 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030120 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030120 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030120 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030120 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030120 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030120 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030120 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030120 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030120 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030120 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030120 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030120 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030120 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030120 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030120 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030120 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0030120 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0030120 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0030120 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0030120 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0030120 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0030120 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0030120 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0030120 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0030120 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0030120 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0030120 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0030120 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0030120 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0030120 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0030120 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0030120 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0030120 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0030120 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0030120 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0030120 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0030120 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0030120 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0030120 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0030120 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0030120 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0030120 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0030120 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0030120 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0030120 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0030120 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0030120 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0030120 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0030120 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0030120 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0030120 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0030120 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0030120 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0030120 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0030120 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0030120 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0030120 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0030120 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0030120 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0030120 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0030120 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0030120 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0030120 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0030120 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0030120 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0030120 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0030120 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030120 k( 153) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030120 k( 154) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030120 k( 155) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030120 k( 156) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030120 k( 157) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030120 k( 158) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030120 k( 159) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030120 k( 160) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030120 k( 161) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030120 k( 162) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030120 k( 163) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030120 k( 164) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030120 k( 165) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030120 k( 166) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030120 k( 167) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030120 k( 168) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030120 k( 169) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030120 k( 170) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030120 k( 171) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030120 k( 172) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030120 k( 173) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030120 k( 174) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030120 k( 175) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030120 k( 176) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030120 k( 177) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030120 k( 178) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030120 k( 179) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030120 k( 180) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030120 k( 181) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030120 k( 182) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030120 k( 183) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030120 k( 184) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030120 k( 185) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030120 k( 186) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030120 k( 187) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030120 k( 188) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030120 k( 189) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030120 k( 190) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030120 k( 191) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030120 k( 192) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030120 k( 193) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030120 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 196) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030120 k( 197) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030120 k( 198) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030120 k( 199) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030120 k( 200) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030120 k( 201) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030120 k( 202) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030120 k( 203) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030120 k( 204) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030120 k( 205) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030120 k( 206) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030120 k( 207) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030120 k( 208) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030120 k( 209) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030120 k( 210) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030120 k( 211) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030120 k( 212) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030120 k( 213) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030120 k( 214) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030120 k( 215) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030120 k( 216) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030120 k( 217) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030120 k( 218) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030120 k( 219) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030120 k( 220) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030120 k( 221) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030120 k( 222) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030120 k( 223) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030120 k( 224) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030120 k( 225) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030120 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 228) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030120 k( 229) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030120 k( 230) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030120 k( 231) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030120 k( 232) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030120 k( 233) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030120 k( 234) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030120 k( 235) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030120 k( 236) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030120 k( 237) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030120 k( 238) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030120 k( 239) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030120 k( 240) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030120 k( 241) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030120 k( 242) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030120 k( 243) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030120 k( 244) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030120 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 246) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030120 k( 247) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030120 k( 248) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030120 k( 249) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030120 k( 250) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030120 k( 251) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030120 k( 252) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030120 k( 253) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030120 k( 254) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030120 k( 255) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030120 k( 256) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030120 k( 257) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030120 k( 258) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030120 k( 259) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030120 k( 260) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030120 k( 261) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030120 k( 262) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030120 k( 263) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030120 k( 264) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030120 k( 265) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030120 k( 266) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030120 k( 267) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030120 k( 268) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030120 k( 269) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030120 k( 270) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030120 k( 271) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030120 k( 272) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030120 k( 273) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030120 k( 274) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030120 k( 275) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030120 k( 276) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030120 k( 277) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030120 k( 278) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030120 k( 279) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030120 k( 280) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030120 k( 281) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030120 k( 283) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030120 k( 284) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030120 k( 285) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030120 k( 286) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030120 k( 287) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030120 k( 288) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030120 k( 289) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030120 k( 290) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030120 k( 291) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030120 k( 292) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030120 k( 293) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030120 k( 294) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030120 k( 295) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030120 k( 296) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030120 k( 297) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030120 k( 298) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030120 k( 299) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030120 k( 300) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030120 k( 301) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030120 k( 302) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030120 k( 303) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030120 k( 304) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030120 k( 305) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030120 k( 306) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030120 k( 307) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030120 k( 308) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030120 k( 309) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030120 k( 310) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030120 k( 311) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030120 k( 312) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030120 k( 313) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030120 k( 314) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030120 k( 315) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030120 k( 316) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030120 k( 317) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030120 k( 318) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030120 k( 319) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030120 k( 320) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030120 k( 321) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030120 k( 322) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030120 k( 323) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030120 k( 324) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030120 k( 325) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030120 k( 326) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030120 k( 327) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030120 k( 328) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030120 k( 329) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030120 k( 330) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030120 k( 331) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030120 k( 332) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0030120 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0030120 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0030120 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0030120 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030120 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0030120 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0030120 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0030120 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0030120 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030120 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0030120 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0030120 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0030120 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0030120 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0030120 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0030120 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0030120 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0030120 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0030120 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030120 k( 22) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0030120 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0030120 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0030120 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0030120 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030120 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0030120 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0030120 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0030120 k( 30) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0030120 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0030120 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0030120 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0030120 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0030120 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0030120 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0030120 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0030120 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0030120 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0030120 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0030120 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030120 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0030120 k( 43) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0030120 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0030120 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0030120 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0030120 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0030120 k( 48) = ( 0.4700000 -0.0000000 0.4700000), wk = 0.0030120 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0030120 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0030120 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030120 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030120 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030120 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030120 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030120 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030120 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030120 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030120 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030120 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030120 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030120 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030120 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030120 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030120 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030120 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030120 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030120 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030120 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030120 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030120 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030120 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030120 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030120 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030120 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030120 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030120 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030120 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030120 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030120 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030120 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030120 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030120 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030120 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030120 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030120 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030120 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030120 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030120 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030120 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030120 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030120 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0030120 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0030120 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0030120 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0030120 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0030120 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0030120 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0030120 k( 105) = ( 0.3183962 0.3183962 0.6367925), wk = 0.0030120 k( 106) = ( 0.3113207 0.3113208 0.6226415), wk = 0.0030120 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0030120 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0030120 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0030120 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0030120 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0030120 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0030120 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0030120 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0030120 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0030120 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0030120 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0030120 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0030120 k( 119) = ( 0.2193396 0.2193396 0.4386793), wk = 0.0030120 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0030120 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0030120 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0030120 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0030120 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0030120 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0030120 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0030120 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0030120 k( 128) = ( 0.1556604 0.1556604 0.3113208), wk = 0.0030120 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0030120 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0030120 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0030120 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0030120 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0030120 k( 134) = ( 0.1132076 0.1132076 0.2264151), wk = 0.0030120 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0030120 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0030120 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0030120 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0030120 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0030120 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0030120 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0030120 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0030120 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0030120 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0030120 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0030120 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0030120 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0030120 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0030120 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030120 k( 153) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030120 k( 154) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030120 k( 155) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030120 k( 156) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030120 k( 157) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030120 k( 158) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030120 k( 159) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030120 k( 160) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030120 k( 161) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030120 k( 162) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030120 k( 163) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030120 k( 164) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030120 k( 165) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030120 k( 166) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030120 k( 167) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030120 k( 168) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030120 k( 169) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030120 k( 170) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030120 k( 171) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030120 k( 172) = ( 0.2441860 0.2441860 0.2441861), wk = 0.0030120 k( 173) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030120 k( 174) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030120 k( 175) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030120 k( 176) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030120 k( 177) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030120 k( 178) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030120 k( 179) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030120 k( 180) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030120 k( 181) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030120 k( 182) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030120 k( 183) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030120 k( 184) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030120 k( 185) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030120 k( 186) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030120 k( 187) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030120 k( 188) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030120 k( 189) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030120 k( 190) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030120 k( 191) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030120 k( 192) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030120 k( 193) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030120 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030120 k( 197) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030120 k( 198) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0030120 k( 199) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030120 k( 200) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030120 k( 201) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030120 k( 202) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030120 k( 203) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030120 k( 204) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030120 k( 205) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030120 k( 206) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030120 k( 207) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030120 k( 208) = ( 0.5524193 0.3951613 0.5524194), wk = 0.0030120 k( 209) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030120 k( 210) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030120 k( 211) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030120 k( 212) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030120 k( 213) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030120 k( 214) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030120 k( 215) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030120 k( 216) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030120 k( 217) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0030120 k( 218) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030120 k( 219) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030120 k( 220) = ( 0.6008064 0.2983871 0.6008065), wk = 0.0030120 k( 221) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030120 k( 222) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030120 k( 223) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0030120 k( 224) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030120 k( 225) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030120 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 228) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030120 k( 229) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030120 k( 230) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030120 k( 231) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030120 k( 232) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030120 k( 233) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030120 k( 234) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030120 k( 235) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030120 k( 236) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030120 k( 237) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030120 k( 238) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030120 k( 239) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030120 k( 240) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030120 k( 241) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030120 k( 242) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030120 k( 243) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030120 k( 244) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030120 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030120 k( 247) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030120 k( 248) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030120 k( 249) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030120 k( 250) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030120 k( 251) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030120 k( 252) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030120 k( 253) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030120 k( 254) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030120 k( 255) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030120 k( 256) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030120 k( 257) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030120 k( 258) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030120 k( 259) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030120 k( 260) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030120 k( 261) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030120 k( 262) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030120 k( 263) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030120 k( 264) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030120 k( 265) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030120 k( 266) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030120 k( 267) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030120 k( 268) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030120 k( 269) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030120 k( 270) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030120 k( 271) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030120 k( 272) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030120 k( 273) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030120 k( 274) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030120 k( 275) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030120 k( 276) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030120 k( 277) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030120 k( 278) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030120 k( 279) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030120 k( 280) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030120 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 283) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030120 k( 284) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030120 k( 285) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030120 k( 286) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030120 k( 287) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030120 k( 288) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030120 k( 289) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030120 k( 290) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030120 k( 291) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030120 k( 292) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030120 k( 293) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030120 k( 294) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030120 k( 295) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030120 k( 296) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030120 k( 297) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030120 k( 298) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030120 k( 299) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030120 k( 300) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030120 k( 301) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030120 k( 302) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030120 k( 303) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030120 k( 304) = ( 0.4112903 0.4112903 0.6774194), wk = 0.0030120 k( 305) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030120 k( 306) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030120 k( 307) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0030120 k( 308) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030120 k( 309) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030120 k( 310) = ( 0.3870968 0.3870968 0.7258065), wk = 0.0030120 k( 311) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030120 k( 312) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030120 k( 313) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030120 k( 314) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030120 k( 315) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030120 k( 316) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030120 k( 317) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030120 k( 318) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030120 k( 319) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030120 k( 320) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030120 k( 321) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030120 k( 322) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030120 k( 323) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030120 k( 324) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030120 k( 325) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030120 k( 326) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030120 k( 327) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030120 k( 328) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030120 k( 329) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030120 k( 330) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030120 k( 331) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030120 k( 332) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 Dense grid: 56377 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 26813 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 192, 32) NL pseudopotentials 0.09 Mb ( 96, 62) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1565) G-vector shells 0.00 Mb ( 430) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 192, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) Check: negative/imaginary core charge= -0.000016 0.000000 The potential is recalculated from file : ./Mg2Si.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.7 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.6 secs Computing kpt #: 18 total cpu time spent up to now is 4.8 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.1 secs Computing kpt #: 21 total cpu time spent up to now is 5.3 secs Computing kpt #: 22 total cpu time spent up to now is 5.5 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.3 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.7 secs Computing kpt #: 29 total cpu time spent up to now is 6.9 secs Computing kpt #: 30 total cpu time spent up to now is 7.1 secs Computing kpt #: 31 total cpu time spent up to now is 7.3 secs Computing kpt #: 32 total cpu time spent up to now is 7.5 secs Computing kpt #: 33 total cpu time spent up to now is 7.7 secs Computing kpt #: 34 total cpu time spent up to now is 7.9 secs Computing kpt #: 35 total cpu time spent up to now is 8.1 secs Computing kpt #: 36 total cpu time spent up to now is 8.3 secs Computing kpt #: 37 total cpu time spent up to now is 8.5 secs Computing kpt #: 38 total cpu time spent up to now is 8.7 secs Computing kpt #: 39 total cpu time spent up to now is 8.9 secs Computing kpt #: 40 total cpu time spent up to now is 9.1 secs Computing kpt #: 41 total cpu time spent up to now is 9.3 secs Computing kpt #: 42 total cpu time spent up to now is 9.5 secs Computing kpt #: 43 total cpu time spent up to now is 9.7 secs Computing kpt #: 44 total cpu time spent up to now is 9.9 secs Computing kpt #: 45 total cpu time spent up to now is 10.1 secs Computing kpt #: 46 total cpu time spent up to now is 10.3 secs Computing kpt #: 47 total cpu time spent up to now is 10.5 secs Computing kpt #: 48 total cpu time spent up to now is 10.8 secs Computing kpt #: 49 total cpu time spent up to now is 11.0 secs Computing kpt #: 50 total cpu time spent up to now is 11.2 secs Computing kpt #: 51 total cpu time spent up to now is 11.4 secs Computing kpt #: 52 total cpu time spent up to now is 11.7 secs Computing kpt #: 53 total cpu time spent up to now is 11.9 secs Computing kpt #: 54 total cpu time spent up to now is 12.2 secs Computing kpt #: 55 total cpu time spent up to now is 12.6 secs Computing kpt #: 56 total cpu time spent up to now is 12.8 secs Computing kpt #: 57 total cpu time spent up to now is 13.0 secs Computing kpt #: 58 total cpu time spent up to now is 13.2 secs Computing kpt #: 59 total cpu time spent up to now is 13.4 secs Computing kpt #: 60 total cpu time spent up to now is 13.6 secs Computing kpt #: 61 total cpu time spent up to now is 13.8 secs Computing kpt #: 62 total cpu time spent up to now is 14.0 secs Computing kpt #: 63 total cpu time spent up to now is 14.1 secs Computing kpt #: 64 total cpu time spent up to now is 14.3 secs Computing kpt #: 65 total cpu time spent up to now is 14.5 secs Computing kpt #: 66 total cpu time spent up to now is 14.7 secs Computing kpt #: 67 total cpu time spent up to now is 14.8 secs Computing kpt #: 68 total cpu time spent up to now is 15.0 secs Computing kpt #: 69 total cpu time spent up to now is 15.2 secs Computing kpt #: 70 total cpu time spent up to now is 15.3 secs Computing kpt #: 71 total cpu time spent up to now is 15.5 secs Computing kpt #: 72 total cpu time spent up to now is 15.7 secs Computing kpt #: 73 total cpu time spent up to now is 15.8 secs Computing kpt #: 74 total cpu time spent up to now is 16.0 secs Computing kpt #: 75 total cpu time spent up to now is 16.2 secs Computing kpt #: 76 total cpu time spent up to now is 16.3 secs Computing kpt #: 77 total cpu time spent up to now is 16.5 secs Computing kpt #: 78 total cpu time spent up to now is 16.7 secs Computing kpt #: 79 total cpu time spent up to now is 16.8 secs Computing kpt #: 80 total cpu time spent up to now is 17.0 secs Computing kpt #: 81 total cpu time spent up to now is 17.2 secs Computing kpt #: 82 total cpu time spent up to now is 17.3 secs Computing kpt #: 83 total cpu time spent up to now is 17.5 secs Computing kpt #: 84 total cpu time spent up to now is 17.7 secs Computing kpt #: 85 total cpu time spent up to now is 17.8 secs Computing kpt #: 86 total cpu time spent up to now is 18.0 secs Computing kpt #: 87 total cpu time spent up to now is 18.2 secs Computing kpt #: 88 total cpu time spent up to now is 18.4 secs Computing kpt #: 89 total cpu time spent up to now is 18.6 secs Computing kpt #: 90 total cpu time spent up to now is 18.8 secs Computing kpt #: 91 total cpu time spent up to now is 19.0 secs Computing kpt #: 92 total cpu time spent up to now is 19.1 secs Computing kpt #: 93 total cpu time spent up to now is 19.3 secs Computing kpt #: 94 total cpu time spent up to now is 19.5 secs Computing kpt #: 95 total cpu time spent up to now is 19.7 secs Computing kpt #: 96 total cpu time spent up to now is 19.9 secs Computing kpt #: 97 total cpu time spent up to now is 20.1 secs Computing kpt #: 98 total cpu time spent up to now is 20.3 secs Computing kpt #: 99 total cpu time spent up to now is 20.5 secs Computing kpt #: 100 total cpu time spent up to now is 20.7 secs Computing kpt #: 101 total cpu time spent up to now is 20.9 secs Computing kpt #: 102 total cpu time spent up to now is 21.1 secs Computing kpt #: 103 total cpu time spent up to now is 21.3 secs Computing kpt #: 104 total cpu time spent up to now is 21.5 secs Computing kpt #: 105 total cpu time spent up to now is 21.7 secs Computing kpt #: 106 total cpu time spent up to now is 21.9 secs Computing kpt #: 107 total cpu time spent up to now is 22.0 secs Computing kpt #: 108 total cpu time spent up to now is 22.2 secs Computing kpt #: 109 total cpu time spent up to now is 22.4 secs Computing kpt #: 110 total cpu time spent up to now is 22.6 secs Computing kpt #: 111 total cpu time spent up to now is 22.8 secs Computing kpt #: 112 total cpu time spent up to now is 23.0 secs Computing kpt #: 113 total cpu time spent up to now is 23.2 secs Computing kpt #: 114 total cpu time spent up to now is 23.3 secs Computing kpt #: 115 total cpu time spent up to now is 23.5 secs Computing kpt #: 116 total cpu time spent up to now is 23.7 secs Computing kpt #: 117 total cpu time spent up to now is 23.9 secs Computing kpt #: 118 total cpu time spent up to now is 24.1 secs Computing kpt #: 119 total cpu time spent up to now is 24.3 secs Computing kpt #: 120 total cpu time spent up to now is 24.5 secs Computing kpt #: 121 total cpu time spent up to now is 24.7 secs Computing kpt #: 122 total cpu time spent up to now is 24.8 secs Computing kpt #: 123 total cpu time spent up to now is 25.0 secs Computing kpt #: 124 total cpu time spent up to now is 25.2 secs Computing kpt #: 125 total cpu time spent up to now is 25.4 secs Computing kpt #: 126 total cpu time spent up to now is 25.6 secs Computing kpt #: 127 total cpu time spent up to now is 25.8 secs Computing kpt #: 128 total cpu time spent up to now is 26.0 secs Computing kpt #: 129 total cpu time spent up to now is 26.2 secs Computing kpt #: 130 total cpu time spent up to now is 26.4 secs Computing kpt #: 131 total cpu time spent up to now is 26.5 secs Computing kpt #: 132 total cpu time spent up to now is 26.7 secs Computing kpt #: 133 total cpu time spent up to now is 26.9 secs Computing kpt #: 134 total cpu time spent up to now is 27.1 secs Computing kpt #: 135 total cpu time spent up to now is 27.3 secs Computing kpt #: 136 total cpu time spent up to now is 27.5 secs Computing kpt #: 137 total cpu time spent up to now is 27.7 secs Computing kpt #: 138 total cpu time spent up to now is 27.9 secs Computing kpt #: 139 total cpu time spent up to now is 28.0 secs Computing kpt #: 140 total cpu time spent up to now is 28.2 secs Computing kpt #: 141 total cpu time spent up to now is 28.4 secs Computing kpt #: 142 total cpu time spent up to now is 28.6 secs Computing kpt #: 143 total cpu time spent up to now is 28.8 secs Computing kpt #: 144 total cpu time spent up to now is 29.0 secs Computing kpt #: 145 total cpu time spent up to now is 29.2 secs Computing kpt #: 146 total cpu time spent up to now is 29.3 secs Computing kpt #: 147 total cpu time spent up to now is 29.5 secs Computing kpt #: 148 total cpu time spent up to now is 29.7 secs Computing kpt #: 149 total cpu time spent up to now is 29.9 secs Computing kpt #: 150 total cpu time spent up to now is 30.1 secs Computing kpt #: 151 total cpu time spent up to now is 30.3 secs Computing kpt #: 152 total cpu time spent up to now is 30.5 secs Computing kpt #: 153 total cpu time spent up to now is 30.7 secs Computing kpt #: 154 total cpu time spent up to now is 30.9 secs Computing kpt #: 155 total cpu time spent up to now is 31.0 secs Computing kpt #: 156 total cpu time spent up to now is 31.2 secs Computing kpt #: 157 total cpu time spent up to now is 31.4 secs Computing kpt #: 158 total cpu time spent up to now is 31.6 secs Computing kpt #: 159 total cpu time spent up to now is 31.8 secs Computing kpt #: 160 total cpu time spent up to now is 31.9 secs Computing kpt #: 161 total cpu time spent up to now is 32.1 secs Computing kpt #: 162 total cpu time spent up to now is 32.3 secs Computing kpt #: 163 total cpu time spent up to now is 32.5 secs Computing kpt #: 164 total cpu time spent up to now is 32.7 secs Computing kpt #: 165 total cpu time spent up to now is 32.8 secs Computing kpt #: 166 total cpu time spent up to now is 33.0 secs Computing kpt #: 167 total cpu time spent up to now is 33.2 secs Computing kpt #: 168 total cpu time spent up to now is 33.4 secs Computing kpt #: 169 total cpu time spent up to now is 33.6 secs Computing kpt #: 170 total cpu time spent up to now is 33.8 secs Computing kpt #: 171 total cpu time spent up to now is 33.9 secs Computing kpt #: 172 total cpu time spent up to now is 34.1 secs Computing kpt #: 173 total cpu time spent up to now is 34.3 secs Computing kpt #: 174 total cpu time spent up to now is 34.5 secs Computing kpt #: 175 total cpu time spent up to now is 34.7 secs Computing kpt #: 176 total cpu time spent up to now is 34.9 secs Computing kpt #: 177 total cpu time spent up to now is 35.1 secs Computing kpt #: 178 total cpu time spent up to now is 35.3 secs Computing kpt #: 179 total cpu time spent up to now is 35.5 secs Computing kpt #: 180 total cpu time spent up to now is 35.7 secs Computing kpt #: 181 total cpu time spent up to now is 35.9 secs Computing kpt #: 182 total cpu time spent up to now is 36.1 secs Computing kpt #: 183 total cpu time spent up to now is 36.3 secs Computing kpt #: 184 total cpu time spent up to now is 36.5 secs Computing kpt #: 185 total cpu time spent up to now is 36.7 secs Computing kpt #: 186 total cpu time spent up to now is 36.8 secs Computing kpt #: 187 total cpu time spent up to now is 37.0 secs Computing kpt #: 188 total cpu time spent up to now is 37.2 secs Computing kpt #: 189 total cpu time spent up to now is 37.4 secs Computing kpt #: 190 total cpu time spent up to now is 37.6 secs Computing kpt #: 191 total cpu time spent up to now is 37.8 secs Computing kpt #: 192 total cpu time spent up to now is 38.0 secs Computing kpt #: 193 total cpu time spent up to now is 38.2 secs Computing kpt #: 194 total cpu time spent up to now is 38.4 secs Computing kpt #: 195 total cpu time spent up to now is 38.6 secs Computing kpt #: 196 total cpu time spent up to now is 38.7 secs Computing kpt #: 197 total cpu time spent up to now is 38.9 secs Computing kpt #: 198 total cpu time spent up to now is 39.1 secs Computing kpt #: 199 total cpu time spent up to now is 39.3 secs Computing kpt #: 200 total cpu time spent up to now is 39.5 secs Computing kpt #: 201 total cpu time spent up to now is 39.7 secs Computing kpt #: 202 total cpu time spent up to now is 39.9 secs Computing kpt #: 203 total cpu time spent up to now is 40.1 secs Computing kpt #: 204 total cpu time spent up to now is 40.3 secs Computing kpt #: 205 total cpu time spent up to now is 40.5 secs Computing kpt #: 206 total cpu time spent up to now is 40.7 secs Computing kpt #: 207 total cpu time spent up to now is 40.9 secs Computing kpt #: 208 total cpu time spent up to now is 41.0 secs Computing kpt #: 209 total cpu time spent up to now is 41.2 secs Computing kpt #: 210 total cpu time spent up to now is 41.4 secs Computing kpt #: 211 total cpu time spent up to now is 41.6 secs Computing kpt #: 212 total cpu time spent up to now is 41.8 secs Computing kpt #: 213 total cpu time spent up to now is 42.0 secs Computing kpt #: 214 total cpu time spent up to now is 42.1 secs Computing kpt #: 215 total cpu time spent up to now is 42.3 secs Computing kpt #: 216 total cpu time spent up to now is 42.5 secs Computing kpt #: 217 total cpu time spent up to now is 42.7 secs Computing kpt #: 218 total cpu time spent up to now is 42.9 secs Computing kpt #: 219 total cpu time spent up to now is 43.1 secs Computing kpt #: 220 total cpu time spent up to now is 43.2 secs Computing kpt #: 221 total cpu time spent up to now is 43.4 secs Computing kpt #: 222 total cpu time spent up to now is 43.6 secs Computing kpt #: 223 total cpu time spent up to now is 43.8 secs Computing kpt #: 224 total cpu time spent up to now is 44.0 secs Computing kpt #: 225 total cpu time spent up to now is 44.2 secs Computing kpt #: 226 total cpu time spent up to now is 44.4 secs Computing kpt #: 227 total cpu time spent up to now is 44.6 secs Computing kpt #: 228 total cpu time spent up to now is 44.8 secs Computing kpt #: 229 total cpu time spent up to now is 45.0 secs Computing kpt #: 230 total cpu time spent up to now is 45.2 secs Computing kpt #: 231 total cpu time spent up to now is 45.4 secs Computing kpt #: 232 total cpu time spent up to now is 45.6 secs Computing kpt #: 233 total cpu time spent up to now is 45.8 secs Computing kpt #: 234 total cpu time spent up to now is 45.9 secs Computing kpt #: 235 total cpu time spent up to now is 46.1 secs Computing kpt #: 236 total cpu time spent up to now is 46.3 secs Computing kpt #: 237 total cpu time spent up to now is 46.5 secs Computing kpt #: 238 total cpu time spent up to now is 46.7 secs Computing kpt #: 239 total cpu time spent up to now is 46.8 secs Computing kpt #: 240 total cpu time spent up to now is 47.0 secs Computing kpt #: 241 total cpu time spent up to now is 47.2 secs Computing kpt #: 242 total cpu time spent up to now is 47.3 secs Computing kpt #: 243 total cpu time spent up to now is 47.5 secs Computing kpt #: 244 total cpu time spent up to now is 47.7 secs Computing kpt #: 245 total cpu time spent up to now is 47.8 secs Computing kpt #: 246 total cpu time spent up to now is 48.0 secs Computing kpt #: 247 total cpu time spent up to now is 48.1 secs Computing kpt #: 248 total cpu time spent up to now is 48.3 secs Computing kpt #: 249 total cpu time spent up to now is 48.5 secs Computing kpt #: 250 total cpu time spent up to now is 48.6 secs Computing kpt #: 251 total cpu time spent up to now is 48.8 secs Computing kpt #: 252 total cpu time spent up to now is 49.0 secs Computing kpt #: 253 total cpu time spent up to now is 49.2 secs Computing kpt #: 254 total cpu time spent up to now is 49.3 secs Computing kpt #: 255 total cpu time spent up to now is 49.5 secs Computing kpt #: 256 total cpu time spent up to now is 49.7 secs Computing kpt #: 257 total cpu time spent up to now is 49.9 secs Computing kpt #: 258 total cpu time spent up to now is 50.1 secs Computing kpt #: 259 total cpu time spent up to now is 50.2 secs Computing kpt #: 260 total cpu time spent up to now is 50.4 secs Computing kpt #: 261 total cpu time spent up to now is 50.6 secs Computing kpt #: 262 total cpu time spent up to now is 50.8 secs Computing kpt #: 263 total cpu time spent up to now is 51.0 secs Computing kpt #: 264 total cpu time spent up to now is 51.2 secs Computing kpt #: 265 total cpu time spent up to now is 51.4 secs Computing kpt #: 266 total cpu time spent up to now is 51.6 secs Computing kpt #: 267 total cpu time spent up to now is 51.7 secs Computing kpt #: 268 total cpu time spent up to now is 51.9 secs Computing kpt #: 269 total cpu time spent up to now is 52.1 secs Computing kpt #: 270 total cpu time spent up to now is 52.3 secs Computing kpt #: 271 total cpu time spent up to now is 52.5 secs Computing kpt #: 272 total cpu time spent up to now is 52.7 secs Computing kpt #: 273 total cpu time spent up to now is 52.9 secs Computing kpt #: 274 total cpu time spent up to now is 53.0 secs Computing kpt #: 275 total cpu time spent up to now is 53.2 secs Computing kpt #: 276 total cpu time spent up to now is 53.4 secs Computing kpt #: 277 total cpu time spent up to now is 53.6 secs Computing kpt #: 278 total cpu time spent up to now is 53.8 secs Computing kpt #: 279 total cpu time spent up to now is 54.0 secs Computing kpt #: 280 total cpu time spent up to now is 54.2 secs Computing kpt #: 281 total cpu time spent up to now is 54.4 secs Computing kpt #: 282 total cpu time spent up to now is 54.6 secs Computing kpt #: 283 total cpu time spent up to now is 54.8 secs Computing kpt #: 284 total cpu time spent up to now is 55.0 secs Computing kpt #: 285 total cpu time spent up to now is 55.2 secs Computing kpt #: 286 total cpu time spent up to now is 55.4 secs Computing kpt #: 287 total cpu time spent up to now is 55.6 secs Computing kpt #: 288 total cpu time spent up to now is 55.8 secs Computing kpt #: 289 total cpu time spent up to now is 55.9 secs Computing kpt #: 290 total cpu time spent up to now is 56.1 secs Computing kpt #: 291 total cpu time spent up to now is 56.3 secs Computing kpt #: 292 total cpu time spent up to now is 56.5 secs Computing kpt #: 293 total cpu time spent up to now is 56.7 secs Computing kpt #: 294 total cpu time spent up to now is 56.9 secs Computing kpt #: 295 total cpu time spent up to now is 57.1 secs Computing kpt #: 296 total cpu time spent up to now is 57.3 secs Computing kpt #: 297 total cpu time spent up to now is 57.4 secs Computing kpt #: 298 total cpu time spent up to now is 57.6 secs Computing kpt #: 299 total cpu time spent up to now is 57.8 secs Computing kpt #: 300 total cpu time spent up to now is 58.0 secs Computing kpt #: 301 total cpu time spent up to now is 58.2 secs Computing kpt #: 302 total cpu time spent up to now is 58.4 secs Computing kpt #: 303 total cpu time spent up to now is 58.6 secs Computing kpt #: 304 total cpu time spent up to now is 58.7 secs Computing kpt #: 305 total cpu time spent up to now is 58.9 secs Computing kpt #: 306 total cpu time spent up to now is 59.1 secs Computing kpt #: 307 total cpu time spent up to now is 59.3 secs Computing kpt #: 308 total cpu time spent up to now is 59.5 secs Computing kpt #: 309 total cpu time spent up to now is 59.7 secs Computing kpt #: 310 total cpu time spent up to now is 59.9 secs Computing kpt #: 311 total cpu time spent up to now is 60.1 secs Computing kpt #: 312 total cpu time spent up to now is 60.3 secs Computing kpt #: 313 total cpu time spent up to now is 60.5 secs Computing kpt #: 314 total cpu time spent up to now is 60.7 secs Computing kpt #: 315 total cpu time spent up to now is 60.9 secs Computing kpt #: 316 total cpu time spent up to now is 61.1 secs Computing kpt #: 317 total cpu time spent up to now is 61.3 secs Computing kpt #: 318 total cpu time spent up to now is 61.5 secs Computing kpt #: 319 total cpu time spent up to now is 61.7 secs Computing kpt #: 320 total cpu time spent up to now is 61.9 secs Computing kpt #: 321 total cpu time spent up to now is 62.1 secs Computing kpt #: 322 total cpu time spent up to now is 62.3 secs Computing kpt #: 323 total cpu time spent up to now is 62.5 secs Computing kpt #: 324 total cpu time spent up to now is 62.7 secs Computing kpt #: 325 total cpu time spent up to now is 63.0 secs Computing kpt #: 326 total cpu time spent up to now is 63.3 secs Computing kpt #: 327 total cpu time spent up to now is 63.6 secs Computing kpt #: 328 total cpu time spent up to now is 63.8 secs Computing kpt #: 329 total cpu time spent up to now is 64.1 secs Computing kpt #: 330 total cpu time spent up to now is 64.4 secs Computing kpt #: 331 total cpu time spent up to now is 64.7 secs Computing kpt #: 332 total cpu time spent up to now is 64.9 secs ethr = 4.17E-08, avg # of iterations = 13.8 total cpu time spent up to now is 64.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -70.4129 -70.4129 -70.4099 -70.4099 -37.3583 -37.3583 -37.3456 -37.3456 -37.0706 -37.0706 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4942 -3.4942 5.5089 5.5089 5.5416 5.5416 5.5416 5.5416 7.2975 7.2975 8.0711 8.0711 8.0902 8.0902 8.0902 8.0902 k = 0.0100-0.0058 0.0082 ( 3383 PWs) bands (ev): -70.4128 -70.4128 -70.4099 -70.4099 -37.3583 -37.3583 -37.3456 -37.3456 -37.0706 -37.0706 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4930 -3.4930 5.5024 5.5024 5.5334 5.5334 5.5374 5.5374 7.3087 7.3087 8.0723 8.0723 8.0907 8.0907 8.0961 8.0961 k = 0.0200-0.0115 0.0163 ( 3395 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3456 -37.3456 -37.0707 -37.0707 -37.0707 -37.0707 -37.0576 -37.0576 -37.0575 -37.0575 -3.4894 -3.4894 5.4798 5.4798 5.5130 5.5130 5.5247 5.5247 7.3414 7.3414 8.0647 8.0647 8.1032 8.1032 8.1134 8.1134 k = 0.0300-0.0173 0.0245 ( 3399 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0575 -37.0575 -3.4835 -3.4835 5.4360 5.4360 5.4877 5.4877 5.5041 5.5041 7.3934 7.3934 8.0454 8.0454 8.1308 8.1308 8.1419 8.1419 k = 0.0400-0.0231 0.0327 ( 3407 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0708 -37.0708 -37.0706 -37.0706 -37.0576 -37.0576 -37.0575 -37.0575 -3.4751 -3.4751 5.3740 5.3740 5.4580 5.4580 5.4761 5.4761 7.4617 7.4617 8.0177 8.0177 8.1699 8.1699 8.1808 8.1808 k = 0.0500-0.0289 0.0408 ( 3395 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0708 -37.0708 -37.0705 -37.0705 -37.0577 -37.0577 -37.0575 -37.0575 -3.4645 -3.4645 5.2985 5.2985 5.4228 5.4228 5.4413 5.4413 7.5430 7.5430 7.9827 7.9827 8.2194 8.2194 8.2299 8.2299 k = 0.0600-0.0346 0.0490 ( 3403 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3457 -37.3457 -37.0708 -37.0708 -37.0704 -37.0704 -37.0578 -37.0578 -37.0574 -37.0574 -3.4514 -3.4514 5.2129 5.2129 5.3823 5.3823 5.4006 5.4006 7.6340 7.6340 7.9413 7.9413 8.2780 8.2780 8.2879 8.2879 k = 0.0700-0.0404 0.0572 ( 3403 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3458 -37.3458 -37.0708 -37.0708 -37.0703 -37.0703 -37.0579 -37.0579 -37.0574 -37.0574 -3.4360 -3.4360 5.1197 5.1197 5.3369 5.3369 5.3548 5.3548 7.7318 7.7318 7.8942 7.8942 8.3451 8.3451 8.3542 8.3542 k = 0.0800-0.0462 0.0653 ( 3403 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3582 -37.3582 -37.3458 -37.3458 -37.0709 -37.0709 -37.0702 -37.0702 -37.0581 -37.0581 -37.0574 -37.0574 -3.4183 -3.4183 5.0208 5.0208 5.2874 5.2874 5.3047 5.3047 7.8336 7.8336 7.8421 7.8421 8.4197 8.4197 8.4281 8.4281 k = 0.0900-0.0520 0.0735 ( 3395 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3582 -37.3582 -37.3459 -37.3459 -37.0709 -37.0709 -37.0700 -37.0700 -37.0582 -37.0582 -37.0573 -37.0573 -3.3983 -3.3983 4.9175 4.9175 5.2344 5.2344 5.2512 5.2512 7.7859 7.7859 7.9364 7.9364 8.5010 8.5010 8.5085 8.5085 k = 0.1000-0.0577 0.0816 ( 3395 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3581 -37.3581 -37.3460 -37.3460 -37.0709 -37.0709 -37.0698 -37.0698 -37.0584 -37.0584 -37.0573 -37.0573 -3.3759 -3.3759 4.8111 4.8111 5.1786 5.1786 5.1948 5.1948 7.7260 7.7260 8.0368 8.0368 8.5882 8.5882 8.5949 8.5949 k = 0.1100-0.0635 0.0898 ( 3391 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3580 -37.3580 -37.3460 -37.3460 -37.0710 -37.0710 -37.0696 -37.0696 -37.0586 -37.0586 -37.0573 -37.0573 -3.3513 -3.3513 4.7023 4.7023 5.1207 5.1207 5.1362 5.1362 7.6633 7.6633 8.1308 8.1308 8.6806 8.6806 8.6865 8.6865 k = 0.1200-0.0693 0.0980 ( 3391 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3579 -37.3579 -37.3461 -37.3461 -37.0710 -37.0710 -37.0694 -37.0694 -37.0588 -37.0588 -37.0573 -37.0573 -3.3244 -3.3244 4.5918 4.5918 5.0611 5.0611 5.0761 5.0761 7.5982 7.5982 8.2128 8.2128 8.7777 8.7777 8.7827 8.7827 k = 0.1300-0.0751 0.1061 ( 3379 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3578 -37.3578 -37.3462 -37.3462 -37.0710 -37.0710 -37.0692 -37.0692 -37.0590 -37.0590 -37.0572 -37.0572 -3.2952 -3.2952 4.4801 4.4801 5.0004 5.0004 5.0148 5.0148 7.5314 7.5314 8.2759 8.2759 8.8788 8.8788 8.8831 8.8831 k = 0.1400-0.0808 0.1143 ( 3379 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3577 -37.3577 -37.3463 -37.3463 -37.0711 -37.0711 -37.0689 -37.0689 -37.0593 -37.0593 -37.0571 -37.0571 -3.2638 -3.2638 4.3674 4.3674 4.9390 4.9390 4.9528 4.9528 7.4634 7.4634 8.3120 8.3120 8.9835 8.9835 8.9869 8.9869 k = 0.1500-0.0866 0.1225 ( 3379 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3576 -37.3576 -37.3464 -37.3464 -37.0711 -37.0711 -37.0687 -37.0687 -37.0595 -37.0595 -37.0571 -37.0571 -3.2303 -3.2303 4.2542 4.2542 4.8773 4.8773 4.8905 4.8905 7.3945 7.3945 8.3149 8.3149 9.0913 9.0913 9.0940 9.0940 k = 0.1600-0.0924 0.1306 ( 3375 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3575 -37.3575 -37.3465 -37.3465 -37.0711 -37.0711 -37.0684 -37.0684 -37.0598 -37.0598 -37.0571 -37.0571 -3.1945 -3.1945 4.1406 4.1406 4.8155 4.8155 4.8283 4.8283 7.3251 7.3251 8.2828 8.2828 9.2019 9.2019 9.2038 9.2038 k = 0.1700-0.0981 0.1388 ( 3375 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3574 -37.3574 -37.3467 -37.3467 -37.0712 -37.0712 -37.0681 -37.0681 -37.0601 -37.0601 -37.0570 -37.0570 -3.1567 -3.1567 4.0268 4.0268 4.7540 4.7540 4.7663 4.7663 7.2556 7.2556 8.2201 8.2201 9.3150 9.3150 9.3161 9.3161 k = 0.1800-0.1039 0.1470 ( 3383 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3573 -37.3573 -37.3468 -37.3468 -37.0712 -37.0712 -37.0679 -37.0679 -37.0604 -37.0604 -37.0570 -37.0570 -3.1168 -3.1168 3.9130 3.9130 4.6931 4.6931 4.7049 4.7049 7.1863 7.1863 8.1341 8.1341 9.4300 9.4300 9.4304 9.4304 k = 0.1900-0.1097 0.1551 ( 3379 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3572 -37.3572 -37.3469 -37.3469 -37.0713 -37.0713 -37.0676 -37.0676 -37.0607 -37.0607 -37.0569 -37.0569 -3.0748 -3.0748 3.7992 3.7992 4.6328 4.6328 4.6442 4.6442 7.1175 7.1175 8.0323 8.0323 9.5467 9.5467 9.5470 9.5470 k = 0.2000-0.1155 0.1633 ( 3371 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3570 -37.3570 -37.3471 -37.3471 -37.0713 -37.0713 -37.0672 -37.0672 -37.0611 -37.0611 -37.0569 -37.0569 -3.0308 -3.0308 3.6856 3.6856 4.5735 4.5735 4.5846 4.5846 7.0496 7.0496 7.9205 7.9205 9.6646 9.6646 9.6656 9.6656 k = 0.2100-0.1212 0.1715 ( 3375 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3569 -37.3569 -37.3472 -37.3472 -37.0714 -37.0714 -37.0669 -37.0669 -37.0614 -37.0614 -37.0569 -37.0569 -2.9849 -2.9849 3.5723 3.5723 4.5152 4.5152 4.5259 4.5259 6.9825 6.9825 7.8031 7.8031 9.7839 9.7839 9.7856 9.7856 k = 0.2200-0.1270 0.1796 ( 3375 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3568 -37.3568 -37.3474 -37.3474 -37.0714 -37.0714 -37.0666 -37.0666 -37.0617 -37.0617 -37.0568 -37.0568 -2.9371 -2.9371 3.4593 3.4593 4.4582 4.4582 4.4685 4.4685 6.9166 6.9166 7.6828 7.6828 9.9044 9.9044 9.9068 9.9068 k = 0.2300-0.1328 0.1878 ( 3367 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3567 -37.3567 -37.3475 -37.3475 -37.0715 -37.0715 -37.0663 -37.0663 -37.0620 -37.0620 -37.0567 -37.0567 -2.8875 -2.8875 3.3466 3.3466 4.4024 4.4024 4.4124 4.4124 6.8520 6.8520 7.5618 7.5618 10.0261 10.0261 10.0290 10.0290 k = 0.2400-0.1386 0.1960 ( 3367 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3566 -37.3566 -37.3476 -37.3476 -37.0715 -37.0715 -37.0659 -37.0659 -37.0623 -37.0623 -37.0567 -37.0567 -2.8362 -2.8362 3.2344 3.2344 4.3481 4.3481 4.3578 4.3578 6.7889 6.7889 7.4415 7.4415 10.1487 10.1487 10.1522 10.1522 k = 0.2500-0.1443 0.2041 ( 3359 PWs) bands (ev): -70.4123 -70.4123 -70.4104 -70.4104 -37.3564 -37.3564 -37.3478 -37.3478 -37.0715 -37.0715 -37.0656 -37.0656 -37.0626 -37.0626 -37.0566 -37.0566 -2.7832 -2.7832 3.1227 3.1227 4.2954 4.2954 4.3048 4.3048 6.7274 6.7274 7.3229 7.3229 10.2721 10.2721 10.2762 10.2762 k = 0.2600-0.1501 0.2123 ( 3375 PWs) bands (ev): -70.4123 -70.4123 -70.4105 -70.4105 -37.3563 -37.3563 -37.3480 -37.3480 -37.0716 -37.0716 -37.0653 -37.0653 -37.0630 -37.0630 -37.0566 -37.0566 -2.7286 -2.7286 3.0117 3.0117 4.2442 4.2442 4.2533 4.2533 6.6676 6.6676 7.2068 7.2068 10.3961 10.3961 10.4008 10.4008 k = 0.2700-0.1559 0.2205 ( 3375 PWs) bands (ev): -70.4123 -70.4123 -70.4105 -70.4105 -37.3562 -37.3562 -37.3481 -37.3481 -37.0717 -37.0717 -37.0650 -37.0650 -37.0634 -37.0634 -37.0566 -37.0566 -2.6726 -2.6726 2.9013 2.9013 4.1947 4.1947 4.2036 4.2036 6.6096 6.6096 7.0937 7.0937 10.5209 10.5209 10.5262 10.5262 k = 0.2800-0.1617 0.2286 ( 3375 PWs) bands (ev): -70.4122 -70.4122 -70.4105 -70.4105 -37.3561 -37.3561 -37.3483 -37.3483 -37.0717 -37.0717 -37.0646 -37.0646 -37.0637 -37.0637 -37.0565 -37.0565 -2.6152 -2.6152 2.7918 2.7918 4.1471 4.1471 4.1557 4.1557 6.5536 6.5536 6.9841 6.9841 10.6463 10.6463 10.6520 10.6520 k = 0.2900-0.1674 0.2368 ( 3375 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3560 -37.3560 -37.3484 -37.3484 -37.0718 -37.0718 -37.0643 -37.0643 -37.0640 -37.0640 -37.0565 -37.0565 -2.5565 -2.5565 2.6831 2.6831 4.1012 4.1012 4.1096 4.1096 6.4995 6.4995 6.8783 6.8783 10.7721 10.7721 10.7784 10.7784 k = 0.3000-0.1732 0.2449 ( 3375 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3558 -37.3558 -37.3486 -37.3486 -37.0718 -37.0718 -37.0643 -37.0643 -37.0640 -37.0640 -37.0564 -37.0564 -2.4968 -2.4968 2.5756 2.5756 4.0572 4.0572 4.0654 4.0654 6.4476 6.4476 6.7767 6.7767 10.8985 10.8985 10.9053 10.9053 k = 0.3100-0.1790 0.2531 ( 3371 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3557 -37.3557 -37.3487 -37.3487 -37.0719 -37.0719 -37.0646 -37.0646 -37.0637 -37.0637 -37.0564 -37.0564 -2.4361 -2.4361 2.4692 2.4692 4.0151 4.0151 4.0231 4.0231 6.3979 6.3979 6.6794 6.6794 11.0254 11.0254 11.0326 11.0326 k = 0.3200-0.1848 0.2613 ( 3367 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3556 -37.3556 -37.3488 -37.3488 -37.0719 -37.0719 -37.0649 -37.0649 -37.0634 -37.0634 -37.0563 -37.0563 -2.3747 -2.3747 2.3643 2.3643 3.9750 3.9750 3.9829 3.9829 6.3504 6.3504 6.5866 6.5866 11.1527 11.1527 11.1604 11.1604 k = 0.3300-0.1905 0.2694 ( 3383 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3555 -37.3555 -37.3490 -37.3490 -37.0720 -37.0720 -37.0653 -37.0653 -37.0631 -37.0631 -37.0563 -37.0563 -2.3128 -2.3128 2.2609 2.2609 3.9369 3.9369 3.9446 3.9446 6.3052 6.3052 6.4984 6.4984 11.2805 11.2805 11.2886 11.2886 k = 0.3400-0.1963 0.2776 ( 3375 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3554 -37.3554 -37.3491 -37.3491 -37.0720 -37.0720 -37.0655 -37.0655 -37.0628 -37.0628 -37.0563 -37.0563 -2.2505 -2.2505 2.1595 2.1595 3.9008 3.9008 3.9083 3.9083 6.2623 6.2623 6.4151 6.4151 11.4087 11.4087 11.4172 11.4172 k = 0.3500-0.2021 0.2858 ( 3371 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3553 -37.3553 -37.3492 -37.3492 -37.0721 -37.0721 -37.0658 -37.0658 -37.0625 -37.0625 -37.0562 -37.0562 -2.1881 -2.1881 2.0602 2.0602 3.8668 3.8668 3.8742 3.8742 6.2218 6.2218 6.3365 6.3365 11.5375 11.5375 11.5463 11.5463 k = 0.3600-0.2078 0.2939 ( 3371 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3552 -37.3552 -37.3494 -37.3494 -37.0721 -37.0721 -37.0660 -37.0660 -37.0622 -37.0622 -37.0562 -37.0562 -2.1261 -2.1261 1.9633 1.9633 3.8348 3.8348 3.8421 3.8421 6.1838 6.1838 6.2629 6.2629 11.6667 11.6667 11.6759 11.6759 k = 0.3700-0.2136 0.3021 ( 3371 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3551 -37.3551 -37.3495 -37.3495 -37.0722 -37.0722 -37.0663 -37.0663 -37.0619 -37.0619 -37.0562 -37.0562 -2.0646 -2.0646 1.8692 1.8692 3.8050 3.8050 3.8121 3.8121 6.1482 6.1482 6.1943 6.1943 11.7965 11.7965 11.8060 11.8060 k = 0.3800-0.2194 0.3103 ( 3371 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3550 -37.3550 -37.3496 -37.3496 -37.0722 -37.0722 -37.0665 -37.0665 -37.0617 -37.0617 -37.0561 -37.0561 -2.0040 -2.0040 1.7784 1.7784 3.7773 3.7773 3.7843 3.7843 6.1151 6.1151 6.1307 6.1307 11.9267 11.9267 11.9365 11.9365 k = 0.3900-0.2252 0.3184 ( 3370 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3550 -37.3550 -37.3497 -37.3497 -37.0722 -37.0722 -37.0667 -37.0667 -37.0615 -37.0615 -37.0561 -37.0561 -1.9449 -1.9449 1.6913 1.6913 3.7518 3.7518 3.7587 3.7587 6.0721 6.0721 6.0846 6.0846 12.0575 12.0575 12.0676 12.0676 k = 0.4000-0.2309 0.3266 ( 3362 PWs) bands (ev): -70.4119 -70.4119 -70.4108 -70.4108 -37.3549 -37.3549 -37.3498 -37.3498 -37.0722 -37.0722 -37.0669 -37.0669 -37.0612 -37.0612 -37.0561 -37.0561 -1.8876 -1.8876 1.6083 1.6083 3.7284 3.7284 3.7353 3.7353 6.0187 6.0187 6.0567 6.0567 12.1888 12.1888 12.1992 12.1992 k = 0.4100-0.2367 0.3348 ( 3362 PWs) bands (ev): -70.4119 -70.4119 -70.4108 -70.4108 -37.3548 -37.3548 -37.3499 -37.3499 -37.0723 -37.0723 -37.0671 -37.0671 -37.0611 -37.0611 -37.0560 -37.0560 -1.8328 -1.8328 1.5302 1.5302 3.7072 3.7072 3.7140 3.7140 5.9703 5.9703 6.0313 6.0313 12.3206 12.3206 12.3311 12.3311 k = 0.4200-0.2425 0.3429 ( 3362 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3547 -37.3547 -37.3500 -37.3500 -37.0723 -37.0723 -37.0673 -37.0673 -37.0609 -37.0609 -37.0560 -37.0560 -1.7810 -1.7810 1.4574 1.4574 3.6882 3.6882 3.6949 3.6949 5.9269 5.9269 6.0086 6.0086 12.4526 12.4526 12.4634 12.4634 k = 0.4300-0.2483 0.3511 ( 3366 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3547 -37.3547 -37.3501 -37.3501 -37.0723 -37.0723 -37.0674 -37.0674 -37.0607 -37.0607 -37.0560 -37.0560 -1.7329 -1.7329 1.3907 1.3907 3.6715 3.6715 3.6781 3.6781 5.8887 5.8887 5.9884 5.9884 12.5848 12.5848 12.5958 12.5958 k = 0.4400-0.2540 0.3593 ( 3354 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3546 -37.3546 -37.3501 -37.3501 -37.0723 -37.0723 -37.0675 -37.0675 -37.0606 -37.0606 -37.0560 -37.0560 -1.6891 -1.6891 1.3308 1.3308 3.6569 3.6569 3.6635 3.6635 5.8557 5.8557 5.9710 5.9710 12.7169 12.7169 12.7281 12.7281 k = 0.4500-0.2598 0.3674 ( 3346 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3546 -37.3546 -37.3501 -37.3501 -37.0724 -37.0724 -37.0676 -37.0676 -37.0605 -37.0605 -37.0560 -37.0560 -1.6504 -1.6504 1.2784 1.2784 3.6446 3.6446 3.6511 3.6511 5.8277 5.8277 5.9562 5.9562 12.8482 12.8482 12.8597 12.8597 k = 0.4600-0.2656 0.3756 ( 3346 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3501 -37.3501 -37.0724 -37.0724 -37.0676 -37.0676 -37.0604 -37.0604 -37.0560 -37.0560 -1.6175 -1.6175 1.2343 1.2343 3.6345 3.6345 3.6410 3.6410 5.8048 5.8048 5.9441 5.9441 12.9776 12.9776 12.9893 12.9893 k = 0.4700-0.2714 0.3838 ( 3346 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0677 -37.0677 -37.0603 -37.0603 -37.0559 -37.0559 -1.5911 -1.5911 1.1991 1.1991 3.6266 3.6266 3.6331 3.6331 5.7870 5.7870 5.9346 5.9346 13.1027 13.1027 13.1146 13.1146 k = 0.4800-0.2771 0.3919 ( 3354 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5718 -1.5718 1.1735 1.1735 3.6210 3.6210 3.6274 3.6274 5.7743 5.7743 5.9279 5.9279 13.2179 13.2179 13.2300 13.2300 k = 0.4900-0.2829 0.4001 ( 3354 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5600 -1.5600 1.1579 1.1579 3.6176 3.6176 3.6241 3.6241 5.7666 5.7666 5.9238 5.9238 13.3094 13.3094 13.3218 13.3218 k = 0.5000-0.2887 0.4082 ( 3338 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3544 -37.3544 -37.3502 -37.3502 -37.0723 -37.0723 -37.0678 -37.0678 -37.0601 -37.0601 -37.0560 -37.0560 -1.5561 -1.5561 1.1527 1.1527 3.6165 3.6165 3.6230 3.6230 5.7641 5.7641 5.9225 5.9225 13.3475 13.3475 13.3601 13.3601 k = 0.5000-0.2887 0.4082 ( 3338 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3544 -37.3544 -37.3502 -37.3502 -37.0723 -37.0723 -37.0678 -37.0678 -37.0601 -37.0601 -37.0560 -37.0560 -1.5561 -1.5561 1.1527 1.1527 3.6165 3.6165 3.6230 3.6230 5.7641 5.7641 5.9225 5.9225 13.3475 13.3475 13.3601 13.3601 k = 0.5000-0.2771 0.4164 ( 3358 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5559 -1.5559 1.1541 1.1541 3.6108 3.6108 3.6177 3.6177 5.7717 5.7717 5.9316 5.9316 13.3241 13.3241 13.3559 13.3559 k = 0.5000-0.2656 0.4246 ( 3358 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3503 -37.3503 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5554 -1.5554 1.1581 1.1581 3.5921 3.5921 3.6042 3.6042 5.7944 5.7944 5.9588 5.9588 13.2448 13.2448 13.3578 13.3578 k = 0.5000-0.2540 0.4327 ( 3350 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3545 -37.3545 -37.3503 -37.3503 -37.0723 -37.0723 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5545 -1.5545 1.1649 1.1649 3.5603 3.5603 3.5840 3.5840 5.8315 5.8315 6.0030 6.0030 13.1244 13.1244 13.3619 13.3619 k = 0.5000-0.2425 0.4409 ( 3346 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3544 -37.3544 -37.3503 -37.3503 -37.0723 -37.0723 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5533 -1.5533 1.1743 1.1743 3.5174 3.5174 3.5575 3.5575 5.8823 5.8823 6.0630 6.0630 12.9751 12.9751 13.2104 13.2104 k = 0.5000-0.2309 0.4491 ( 3342 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3544 -37.3544 -37.3503 -37.3503 -37.0722 -37.0722 -37.0678 -37.0678 -37.0602 -37.0602 -37.0561 -37.0561 -1.5518 -1.5518 1.1865 1.1865 3.4649 3.4649 3.5255 3.5255 5.9456 5.9456 6.1371 6.1371 12.8064 12.8064 13.0065 13.0065 k = 0.5000-0.2194 0.4572 ( 3348 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3543 -37.3543 -37.3504 -37.3504 -37.0722 -37.0722 -37.0679 -37.0679 -37.0601 -37.0601 -37.0562 -37.0562 -1.5501 -1.5501 1.2013 1.2013 3.4047 3.4047 3.4891 3.4891 6.0202 6.0202 6.2238 6.2238 12.6247 12.6247 12.8007 12.8007 k = 0.5000-0.2078 0.4654 ( 3348 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3543 -37.3543 -37.3504 -37.3504 -37.0721 -37.0721 -37.0679 -37.0679 -37.0601 -37.0601 -37.0563 -37.0563 -1.5481 -1.5481 1.2189 1.2189 3.3382 3.3382 3.4494 3.4494 6.1051 6.1051 6.3215 6.3215 12.4344 12.4344 12.5942 12.5942 k = 0.5000-0.1963 0.4736 ( 3350 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3542 -37.3542 -37.3505 -37.3505 -37.0720 -37.0720 -37.0679 -37.0679 -37.0601 -37.0601 -37.0564 -37.0564 -1.5458 -1.5458 1.2391 1.2391 3.2669 3.2669 3.4074 3.4074 6.1992 6.1992 6.4289 6.4289 12.2386 12.2386 12.3876 12.3876 k = 0.5000-0.1848 0.4817 ( 3346 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3541 -37.3541 -37.3505 -37.3505 -37.0719 -37.0719 -37.0679 -37.0679 -37.0601 -37.0601 -37.0565 -37.0565 -1.5433 -1.5433 1.2620 1.2620 3.1919 3.1919 3.3641 3.3641 6.3014 6.3014 6.5446 6.5446 12.0393 12.0393 12.1814 12.1814 k = 0.5000-0.1732 0.4899 ( 3354 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3541 -37.3541 -37.3506 -37.3506 -37.0717 -37.0717 -37.0680 -37.0680 -37.0601 -37.0601 -37.0566 -37.0566 -1.5407 -1.5407 1.2875 1.2875 3.1142 3.1142 3.3204 3.3204 6.4110 6.4110 6.6678 6.6678 11.8382 11.8382 11.9757 11.9757 k = 0.5000-0.1617 0.4981 ( 3354 PWs) bands (ev): -70.4117 -70.4117 -70.4110 -70.4110 -37.3540 -37.3540 -37.3507 -37.3507 -37.0716 -37.0716 -37.0680 -37.0680 -37.0600 -37.0600 -37.0568 -37.0568 -1.5380 -1.5380 1.3157 1.3157 3.0348 3.0348 3.2769 3.2769 6.5270 6.5270 6.7975 6.7975 11.6363 11.6363 11.7708 11.7708 k = 0.5000-0.1501 0.5062 ( 3354 PWs) bands (ev): -70.4117 -70.4117 -70.4110 -70.4110 -37.3539 -37.3539 -37.3508 -37.3508 -37.0715 -37.0715 -37.0681 -37.0681 -37.0600 -37.0600 -37.0569 -37.0569 -1.5352 -1.5352 1.3465 1.3465 2.9543 2.9543 3.2344 3.2344 6.6487 6.6487 6.9330 6.9330 11.4345 11.4345 11.5669 11.5669 k = 0.5000-0.1386 0.5144 ( 3362 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3538 -37.3538 -37.3509 -37.3509 -37.0713 -37.0713 -37.0682 -37.0682 -37.0599 -37.0599 -37.0571 -37.0571 -1.5324 -1.5324 1.3800 1.3800 2.8733 2.8733 3.1933 3.1933 6.7755 6.7755 7.0738 7.0738 11.2336 11.2336 11.3640 11.3640 k = 0.5000-0.1270 0.5226 ( 3364 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3537 -37.3537 -37.3510 -37.3510 -37.0712 -37.0712 -37.0683 -37.0683 -37.0599 -37.0599 -37.0572 -37.0572 -1.5296 -1.5296 1.4160 1.4160 2.7922 2.7922 3.1541 3.1541 6.9067 6.9067 7.2193 7.2193 11.0343 11.0343 11.1624 11.1624 k = 0.5000-0.1155 0.5307 ( 3370 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3536 -37.3536 -37.3511 -37.3511 -37.0710 -37.0710 -37.0683 -37.0683 -37.0599 -37.0599 -37.0574 -37.0574 -1.5268 -1.5268 1.4547 1.4547 2.7116 2.7116 3.1172 3.1172 7.0417 7.0417 7.3692 7.3692 10.8373 10.8373 10.9620 10.9620 k = 0.5000-0.1039 0.5389 ( 3358 PWs) bands (ev): -70.4116 -70.4116 -70.4111 -70.4111 -37.3535 -37.3535 -37.3512 -37.3512 -37.0709 -37.0709 -37.0684 -37.0684 -37.0598 -37.0598 -37.0575 -37.0575 -1.5241 -1.5241 1.4959 1.4959 2.6316 2.6316 3.0829 3.0829 7.1798 7.1798 7.5230 7.5230 10.6433 10.6433 10.7631 10.7631 k = 0.5000-0.0924 0.5471 ( 3358 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3534 -37.3534 -37.3513 -37.3513 -37.0707 -37.0707 -37.0685 -37.0685 -37.0597 -37.0597 -37.0577 -37.0577 -1.5216 -1.5216 1.5396 1.5396 2.5526 2.5526 3.0516 3.0516 7.3200 7.3200 7.6806 7.6806 10.4530 10.4530 10.5656 10.5656 k = 0.5000-0.0808 0.5552 ( 3362 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3515 -37.3515 -37.0705 -37.0705 -37.0686 -37.0686 -37.0596 -37.0596 -37.0579 -37.0579 -1.5193 -1.5193 1.5859 1.5859 2.4749 2.4749 3.0234 3.0234 7.4613 7.4613 7.8416 7.8416 10.2675 10.2675 10.3697 10.3697 k = 0.5000-0.0693 0.5634 ( 3354 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0703 -37.0703 -37.0686 -37.0686 -37.0595 -37.0595 -37.0580 -37.0580 -1.5171 -1.5171 1.6347 1.6347 2.3985 2.3985 2.9987 2.9987 7.6024 7.6024 8.0058 8.0058 10.0883 10.0883 10.1755 10.1755 k = 0.5000-0.0577 0.5715 ( 3362 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3517 -37.3517 -37.0702 -37.0702 -37.0688 -37.0688 -37.0594 -37.0594 -37.0582 -37.0582 -1.5153 -1.5153 1.6859 1.6859 2.3238 2.3238 2.9774 2.9774 7.7410 7.7410 8.1730 8.1730 9.9174 9.9174 9.9830 9.9830 k = 0.5000-0.0462 0.5797 ( 3370 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3529 -37.3529 -37.3518 -37.3518 -37.0700 -37.0700 -37.0689 -37.0689 -37.0594 -37.0594 -37.0584 -37.0584 -1.5137 -1.5137 1.7396 1.7396 2.2507 2.2507 2.9598 2.9598 7.8739 7.8739 8.3431 8.3431 9.7582 9.7582 9.7923 9.7923 k = 0.5000-0.0346 0.5879 ( 3366 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3519 -37.3519 -37.0699 -37.0699 -37.0690 -37.0690 -37.0593 -37.0593 -37.0585 -37.0585 -1.5125 -1.5125 1.7956 1.7956 2.1795 2.1795 2.9461 2.9461 7.9959 7.9959 8.5159 8.5159 9.6036 9.6036 9.6157 9.6157 k = 0.5000-0.0231 0.5960 ( 3368 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3526 -37.3526 -37.3521 -37.3521 -37.0697 -37.0697 -37.0691 -37.0691 -37.0592 -37.0592 -37.0586 -37.0586 -1.5116 -1.5116 1.8540 1.8540 2.1102 2.1102 2.9362 2.9362 8.0984 8.0984 8.6914 8.6914 9.4168 9.4168 9.4986 9.4986 k = 0.5000-0.0115 0.6042 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3525 -37.3525 -37.3522 -37.3522 -37.0696 -37.0696 -37.0693 -37.0693 -37.0591 -37.0591 -37.0588 -37.0588 -1.5110 -1.5110 1.9146 1.9146 2.0430 2.0430 2.9302 2.9302 8.1693 8.1693 8.8692 8.8692 9.2321 9.2321 9.4189 9.4189 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3524 -37.3524 -37.3523 -37.3523 -37.0695 -37.0695 -37.0694 -37.0694 -37.0590 -37.0590 -37.0589 -37.0589 -1.5109 -1.5109 1.9736 1.9736 1.9819 1.9819 2.9282 2.9282 8.1950 8.1950 9.0470 9.0470 9.0520 9.0520 9.3902 9.3902 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3524 -37.3524 -37.3523 -37.3523 -37.0695 -37.0695 -37.0694 -37.0694 -37.0590 -37.0590 -37.0589 -37.0589 -1.5109 -1.5109 1.9736 1.9736 1.9819 1.9819 2.9282 2.9282 8.1950 8.1950 9.0470 9.0470 9.0520 9.0520 9.3902 9.3902 k = 0.4931 0.0120 0.6124 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3525 -37.3525 -37.3523 -37.3523 -37.0695 -37.0695 -37.0693 -37.0693 -37.0590 -37.0590 -37.0589 -37.0589 -1.5117 -1.5117 1.9342 1.9342 2.0209 2.0209 2.9332 2.9332 8.1777 8.1777 8.9234 8.9234 9.1765 9.1765 9.4117 9.4117 k = 0.4861 0.0241 0.6124 ( 3370 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3525 -37.3525 -37.3522 -37.3522 -37.0696 -37.0696 -37.0692 -37.0692 -37.0591 -37.0591 -37.0587 -37.0587 -1.5139 -1.5139 1.8933 1.8933 2.0595 2.0595 2.9492 2.9492 8.1211 8.1211 8.8150 8.8150 9.3055 9.3055 9.4631 9.4631 k = 0.4792 0.0361 0.6124 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3526 -37.3526 -37.3521 -37.3521 -37.0697 -37.0697 -37.0691 -37.0691 -37.0592 -37.0592 -37.0587 -37.0587 -1.5173 -1.5173 1.8547 1.8547 2.0926 2.0926 2.9771 2.9771 8.0242 8.0242 8.7351 8.7351 9.4364 9.4364 9.5347 9.5347 k = 0.4722 0.0481 0.6124 ( 3364 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3520 -37.3520 -37.0698 -37.0698 -37.0690 -37.0690 -37.0593 -37.0593 -37.0586 -37.0586 -1.5216 -1.5216 1.8185 1.8185 2.1191 2.1191 3.0172 3.0172 7.8954 7.8954 8.6803 8.6803 9.5690 9.5690 9.6219 9.6219 k = 0.4653 0.0601 0.6124 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3519 -37.3519 -37.0698 -37.0698 -37.0689 -37.0689 -37.0593 -37.0593 -37.0585 -37.0585 -1.5266 -1.5266 1.7847 1.7847 2.1388 2.1388 3.0694 3.0694 7.7466 7.7466 8.6421 8.6421 9.7034 9.7034 9.7214 9.7214 k = 0.4583 0.0722 0.6124 ( 3358 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3518 -37.3518 -37.0699 -37.0699 -37.0688 -37.0688 -37.0594 -37.0594 -37.0585 -37.0585 -1.5321 -1.5321 1.7534 1.7534 2.1523 2.1523 3.1323 3.1323 7.5878 7.5878 8.6135 8.6135 9.8309 9.8309 9.8394 9.8394 k = 0.4514 0.0842 0.6124 ( 3358 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3518 -37.3518 -37.0699 -37.0699 -37.0688 -37.0688 -37.0595 -37.0595 -37.0584 -37.0584 -1.5378 -1.5378 1.7244 1.7244 2.1605 2.1605 3.2044 3.2044 7.4253 7.4253 8.5904 8.5904 9.9485 9.9485 9.9769 9.9769 k = 0.4444 0.0962 0.6124 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0700 -37.0700 -37.0687 -37.0687 -37.0595 -37.0595 -37.0583 -37.0583 -1.5436 -1.5436 1.6980 1.6980 2.1645 2.1645 3.2837 3.2837 7.2632 7.2632 8.5708 8.5708 10.0726 10.0726 10.1158 10.1158 k = 0.4375 0.1083 0.6124 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0700 -37.0700 -37.0686 -37.0686 -37.0596 -37.0596 -37.0583 -37.0583 -1.5493 -1.5493 1.6740 1.6740 2.1653 2.1653 3.3681 3.3681 7.1045 7.1045 8.5537 8.5537 10.2021 10.2021 10.2560 10.2560 k = 0.4306 0.1203 0.6124 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0701 -37.0701 -37.0686 -37.0686 -37.0596 -37.0596 -37.0583 -37.0583 -1.5548 -1.5548 1.6525 1.6525 2.1641 2.1641 3.4554 3.4554 6.9515 6.9515 8.5386 8.5386 10.3360 10.3360 10.3974 10.3974 k = 0.4236 0.1323 0.6124 ( 3356 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0701 -37.0701 -37.0685 -37.0685 -37.0597 -37.0597 -37.0582 -37.0582 -1.5600 -1.5600 1.6335 1.6335 2.1616 2.1616 3.5432 3.5432 6.8063 6.8063 8.5253 8.5253 10.4735 10.4735 10.5398 10.5398 k = 0.4167 0.1443 0.6124 ( 3364 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3516 -37.3516 -37.0702 -37.0702 -37.0685 -37.0685 -37.0597 -37.0597 -37.0582 -37.0582 -1.5647 -1.5647 1.6170 1.6170 2.1583 2.1583 3.6291 3.6291 6.6712 6.6712 8.5138 8.5138 10.6136 10.6136 10.6831 10.6831 k = 0.4097 0.1564 0.6124 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0702 -37.0702 -37.0684 -37.0684 -37.0598 -37.0598 -37.0582 -37.0582 -1.5688 -1.5688 1.6031 1.6031 2.1549 2.1549 3.7104 3.7104 6.5488 6.5488 8.5040 8.5040 10.7557 10.7557 10.8271 10.8271 k = 0.4028 0.1684 0.6124 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0702 -37.0702 -37.0684 -37.0684 -37.0598 -37.0598 -37.0582 -37.0582 -1.5722 -1.5722 1.5916 1.5916 2.1517 2.1517 3.7840 3.7840 6.4418 6.4418 8.4959 8.4959 10.8982 10.8982 10.9716 10.9716 k = 0.3958 0.1804 0.6124 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3515 -37.3515 -37.0702 -37.0702 -37.0684 -37.0684 -37.0598 -37.0598 -37.0582 -37.0582 -1.5750 -1.5750 1.5827 1.5827 2.1489 2.1489 3.8466 3.8466 6.3535 6.3535 8.4896 8.4896 11.0388 11.0388 11.1164 11.1164 k = 0.3889 0.1925 0.6124 ( 3355 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3515 -37.3515 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0582 -37.0582 -1.5770 -1.5770 1.5764 1.5764 2.1468 2.1468 3.8946 3.8946 6.2872 6.2872 8.4851 8.4851 11.1724 11.1724 11.2609 11.2609 k = 0.3819 0.2045 0.6124 ( 3357 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0703 -37.0703 -37.0683 -37.0683 -37.0598 -37.0598 -37.0582 -37.0582 -1.5782 -1.5782 1.5726 1.5726 2.1455 2.1455 3.9249 3.9249 6.2459 6.2459 8.4824 8.4824 11.2843 11.2843 11.4038 11.4038 k = 0.3750 0.2165 0.6124 ( 3352 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0581 -37.0581 -1.5786 -1.5786 1.5713 1.5713 2.1450 2.1450 3.9353 3.9353 6.2319 6.2319 8.4815 8.4815 11.3344 11.3344 11.5143 11.5143 k = 0.3750 0.2165 0.6124 ( 3352 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0581 -37.0581 -1.5786 -1.5786 1.5713 1.5713 2.1450 2.1450 3.9353 3.9353 6.2319 6.2319 8.4815 8.4815 11.3344 11.3344 11.5143 11.5143 k = 0.3679 0.2124 0.6008 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0700 -37.0700 -37.0684 -37.0684 -37.0598 -37.0598 -37.0584 -37.0584 -1.5910 -1.5910 1.6195 1.6195 2.0746 2.0746 3.9707 3.9707 6.2778 6.2778 8.6877 8.6877 11.2124 11.2124 11.3861 11.3861 k = 0.3608 0.2083 0.5893 ( 3344 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0698 -37.0698 -37.0684 -37.0684 -37.0597 -37.0597 -37.0586 -37.0586 -1.6060 -1.6060 1.6702 1.6702 2.0109 2.0109 4.0079 4.0079 6.3261 6.3261 8.8931 8.8931 11.0931 11.0931 11.2597 11.2597 k = 0.3538 0.2043 0.5777 ( 3346 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3518 -37.3518 -37.0695 -37.0695 -37.0684 -37.0684 -37.0597 -37.0597 -37.0589 -37.0589 -1.6239 -1.6239 1.7234 1.7234 1.9542 1.9542 4.0465 4.0465 6.3765 6.3765 9.0962 9.0962 10.9767 10.9767 11.1351 11.1351 k = 0.3467 0.2002 0.5662 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3525 -37.3525 -37.3520 -37.3520 -37.0692 -37.0692 -37.0685 -37.0685 -37.0596 -37.0596 -37.0592 -37.0592 -1.6448 -1.6448 1.7790 1.7790 1.9050 1.9050 4.0868 4.0868 6.4291 6.4291 9.2941 9.2941 10.8633 10.8633 11.0125 11.0125 k = 0.3396 0.1961 0.5546 ( 3356 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3524 -37.3524 -37.3522 -37.3522 -37.0690 -37.0690 -37.0686 -37.0686 -37.0596 -37.0596 -37.0595 -37.0595 -1.6689 -1.6689 1.8369 1.8369 1.8636 1.8636 4.1284 4.1284 6.4838 6.4838 9.4830 9.4830 10.7532 10.7532 10.8920 10.8920 k = 0.3325 0.1920 0.5430 ( 3352 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0687 -37.0687 -37.0686 -37.0686 -37.0598 -37.0598 -37.0595 -37.0595 -1.6963 -1.6963 1.8291 1.8291 1.8979 1.8979 4.1715 4.1715 6.5406 6.5406 9.6570 9.6570 10.6464 10.6464 10.7734 10.7734 k = 0.3255 0.1879 0.5315 ( 3356 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3525 -37.3525 -37.3520 -37.3520 -37.0687 -37.0687 -37.0684 -37.0684 -37.0601 -37.0601 -37.0595 -37.0595 -1.7269 -1.7269 1.8032 1.8032 1.9607 1.9607 4.2158 4.2158 6.5994 6.5994 9.8078 9.8078 10.5430 10.5430 10.6570 10.6570 k = 0.3184 0.1838 0.5199 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3526 -37.3526 -37.3519 -37.3519 -37.0688 -37.0688 -37.0681 -37.0681 -37.0603 -37.0603 -37.0595 -37.0595 -1.7608 -1.7608 1.7850 1.7850 2.0260 2.0260 4.2613 4.2613 6.6601 6.6601 9.9253 9.9253 10.4432 10.4432 10.5427 10.5427 k = 0.3113 0.1797 0.5084 ( 3356 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3517 -37.3517 -37.0688 -37.0688 -37.0678 -37.0678 -37.0606 -37.0606 -37.0594 -37.0594 -1.7979 -1.7979 1.7748 1.7748 2.0936 2.0936 4.3079 4.3079 6.7226 6.7226 10.0015 10.0015 10.3471 10.3471 10.4305 10.4305 k = 0.3042 0.1757 0.4968 ( 3372 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3515 -37.3515 -37.0689 -37.0689 -37.0675 -37.0675 -37.0610 -37.0610 -37.0594 -37.0594 -1.8379 -1.8379 1.7723 1.7723 2.1635 2.1635 4.3555 4.3555 6.7868 6.7868 10.0353 10.0353 10.2549 10.2549 10.3206 10.3206 k = 0.2972 0.1716 0.4853 ( 3374 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3513 -37.3513 -37.0690 -37.0690 -37.0672 -37.0672 -37.0613 -37.0613 -37.0593 -37.0593 -1.8809 -1.8809 1.7775 1.7775 2.2357 2.2357 4.4040 4.4040 6.8526 6.8526 10.0335 10.0335 10.1667 10.1667 10.2130 10.2130 k = 0.2901 0.1675 0.4737 ( 3372 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3533 -37.3533 -37.3511 -37.3511 -37.0691 -37.0691 -37.0669 -37.0669 -37.0616 -37.0616 -37.0592 -37.0592 -1.9264 -1.9264 1.7902 1.7902 2.3100 2.3100 4.4532 4.4532 6.9199 6.9199 10.0058 10.0058 10.0825 10.0825 10.1079 10.1079 k = 0.2830 0.1634 0.4622 ( 3372 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3535 -37.3535 -37.3509 -37.3509 -37.0691 -37.0691 -37.0665 -37.0665 -37.0619 -37.0619 -37.0592 -37.0592 -1.9744 -1.9744 1.8102 1.8102 2.3865 2.3865 4.5031 4.5031 6.9884 6.9884 9.9611 9.9611 10.0011 10.0011 10.0070 10.0070 k = 0.2759 0.1593 0.4506 ( 3380 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3537 -37.3537 -37.3508 -37.3508 -37.0692 -37.0692 -37.0663 -37.0663 -37.0623 -37.0623 -37.0591 -37.0591 -2.0244 -2.0244 1.8371 1.8371 2.4651 2.4651 4.5533 4.5533 7.0581 7.0581 9.8989 9.8989 9.9114 9.9114 9.9284 9.9284 k = 0.2689 0.1552 0.4391 ( 3382 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3539 -37.3539 -37.3506 -37.3506 -37.0692 -37.0692 -37.0659 -37.0659 -37.0626 -37.0626 -37.0591 -37.0591 -2.0763 -2.0763 1.8708 1.8708 2.5457 2.5457 4.6039 4.6039 7.1286 7.1286 9.8039 9.8039 9.8475 9.8475 9.8578 9.8578 k = 0.2618 0.1511 0.4275 ( 3382 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3541 -37.3541 -37.3504 -37.3504 -37.0693 -37.0693 -37.0656 -37.0656 -37.0629 -37.0629 -37.0590 -37.0590 -2.1297 -2.1297 1.9110 1.9110 2.6283 2.6283 4.6547 4.6547 7.1997 7.1997 9.7083 9.7083 9.7838 9.7838 9.7920 9.7920 k = 0.2547 0.1471 0.4160 ( 3378 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3542 -37.3542 -37.3501 -37.3501 -37.0694 -37.0694 -37.0652 -37.0652 -37.0632 -37.0632 -37.0589 -37.0589 -2.1844 -2.1844 1.9575 1.9575 2.7129 2.7129 4.7055 4.7055 7.2712 7.2712 9.6149 9.6149 9.7133 9.7133 9.7210 9.7210 k = 0.2476 0.1430 0.4044 ( 3378 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3544 -37.3544 -37.3499 -37.3499 -37.0694 -37.0694 -37.0649 -37.0649 -37.0636 -37.0636 -37.0589 -37.0589 -2.2400 -2.2400 2.0098 2.0098 2.7992 2.7992 4.7560 4.7560 7.3426 7.3426 9.5240 9.5240 9.6248 9.6248 9.6572 9.6572 k = 0.2406 0.1389 0.3928 ( 3378 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3546 -37.3546 -37.3498 -37.3498 -37.0695 -37.0695 -37.0646 -37.0646 -37.0639 -37.0639 -37.0588 -37.0588 -2.2962 -2.2962 2.0678 2.0678 2.8874 2.8874 4.8062 4.8062 7.4136 7.4136 9.4355 9.4355 9.5383 9.5383 9.5956 9.5956 k = 0.2335 0.1348 0.3813 ( 3370 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3547 -37.3547 -37.3496 -37.3496 -37.0695 -37.0695 -37.0642 -37.0642 -37.0642 -37.0642 -37.0588 -37.0588 -2.3529 -2.3529 2.1313 2.1313 2.9773 2.9773 4.8557 4.8557 7.4837 7.4837 9.3495 9.3495 9.4543 9.4543 9.5367 9.5367 k = 0.2264 0.1307 0.3697 ( 3372 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3549 -37.3549 -37.3493 -37.3493 -37.0696 -37.0696 -37.0645 -37.0645 -37.0639 -37.0639 -37.0587 -37.0587 -2.4098 -2.4098 2.1998 2.1998 3.0687 3.0687 4.9045 4.9045 7.5522 7.5522 9.2661 9.2661 9.3726 9.3726 9.4815 9.4815 k = 0.2193 0.1266 0.3582 ( 3373 PWs) bands (ev): -70.4120 -70.4120 -70.4107 -70.4107 -37.3551 -37.3551 -37.3491 -37.3491 -37.0697 -37.0697 -37.0648 -37.0648 -37.0635 -37.0635 -37.0586 -37.0586 -2.4666 -2.4666 2.2733 2.2733 3.1617 3.1617 4.9522 4.9522 7.6185 7.6185 9.1853 9.1853 9.2934 9.2934 9.4306 9.4306 k = 0.2123 0.1226 0.3466 ( 3377 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3553 -37.3553 -37.3490 -37.3490 -37.0697 -37.0697 -37.0652 -37.0652 -37.0632 -37.0632 -37.0586 -37.0586 -2.5231 -2.5231 2.3515 2.3515 3.2560 3.2560 4.9987 4.9987 7.6817 7.6817 9.1071 9.1071 9.2167 9.2167 9.3848 9.3848 k = 0.2052 0.1185 0.3351 ( 3385 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3555 -37.3555 -37.3488 -37.3488 -37.0698 -37.0698 -37.0655 -37.0655 -37.0629 -37.0629 -37.0585 -37.0585 -2.5791 -2.5791 2.4342 2.4342 3.3516 3.3516 5.0439 5.0439 7.7410 7.7410 9.0316 9.0316 9.1424 9.1424 9.3451 9.3451 k = 0.1981 0.1144 0.3235 ( 3393 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3557 -37.3557 -37.3486 -37.3486 -37.0699 -37.0699 -37.0658 -37.0658 -37.0626 -37.0626 -37.0585 -37.0585 -2.6344 -2.6344 2.5211 2.5211 3.4484 3.4484 5.0874 5.0874 7.7955 7.7955 8.9588 8.9588 9.0707 9.0707 9.3122 9.3122 k = 0.1910 0.1103 0.3120 ( 3389 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3559 -37.3559 -37.3484 -37.3484 -37.0699 -37.0699 -37.0662 -37.0662 -37.0623 -37.0623 -37.0584 -37.0584 -2.6889 -2.6889 2.6122 2.6122 3.5462 3.5462 5.1291 5.1291 7.8440 7.8440 8.8888 8.8888 9.0015 9.0015 9.2869 9.2869 k = 0.1840 0.1062 0.3004 ( 3389 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3560 -37.3560 -37.3482 -37.3482 -37.0700 -37.0700 -37.0665 -37.0665 -37.0619 -37.0619 -37.0583 -37.0583 -2.7424 -2.7424 2.7072 2.7072 3.6449 3.6449 5.1690 5.1690 7.8856 7.8856 8.8215 8.8215 8.9348 8.9348 9.2696 9.2696 k = 0.1769 0.1021 0.2889 ( 3391 PWs) bands (ev): -70.4123 -70.4123 -70.4105 -70.4105 -37.3562 -37.3562 -37.3480 -37.3480 -37.0701 -37.0701 -37.0668 -37.0668 -37.0616 -37.0616 -37.0583 -37.0583 -2.7947 -2.7947 2.8059 2.8059 3.7442 3.7442 5.2067 5.2067 7.9196 7.9196 8.7571 8.7571 8.8706 8.8706 9.2606 9.2606 k = 0.1698 0.0980 0.2773 ( 3393 PWs) bands (ev): -70.4123 -70.4123 -70.4105 -70.4105 -37.3564 -37.3564 -37.3478 -37.3478 -37.0701 -37.0701 -37.0671 -37.0671 -37.0613 -37.0613 -37.0582 -37.0582 -2.8458 -2.8458 2.9082 2.9082 3.8440 3.8440 5.2422 5.2422 7.9454 7.9454 8.6955 8.6955 8.8089 8.8089 9.2597 9.2597 k = 0.1627 0.0940 0.2657 ( 3385 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3565 -37.3565 -37.3477 -37.3477 -37.0701 -37.0701 -37.0673 -37.0673 -37.0610 -37.0610 -37.0582 -37.0582 -2.8954 -2.8954 3.0139 3.0139 3.9442 3.9442 5.2754 5.2754 7.9630 7.9630 8.6368 8.6368 8.7498 8.7498 9.2660 9.2660 k = 0.1557 0.0899 0.2542 ( 3383 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3567 -37.3567 -37.3475 -37.3475 -37.0702 -37.0702 -37.0676 -37.0676 -37.0607 -37.0607 -37.0581 -37.0581 -2.9436 -2.9436 3.1228 3.1228 4.0444 4.0444 5.3063 5.3063 7.9725 7.9725 8.5811 8.5811 8.6932 8.6932 9.2781 9.2781 k = 0.1486 0.0858 0.2426 ( 3383 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3568 -37.3568 -37.3473 -37.3473 -37.0702 -37.0702 -37.0679 -37.0679 -37.0605 -37.0605 -37.0580 -37.0580 -2.9901 -2.9901 3.2348 3.2348 4.1445 4.1445 5.3347 5.3347 7.9747 7.9747 8.5283 8.5283 8.6390 8.6390 9.2936 9.2936 k = 0.1415 0.0817 0.2311 ( 3385 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3569 -37.3569 -37.3472 -37.3472 -37.0703 -37.0703 -37.0681 -37.0681 -37.0602 -37.0602 -37.0580 -37.0580 -3.0350 -3.0350 3.3498 3.3498 4.2442 4.2442 5.3607 5.3607 7.9704 7.9704 8.4786 8.4786 8.5875 8.5875 9.3094 9.3094 k = 0.1344 0.0776 0.2195 ( 3377 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3571 -37.3571 -37.3470 -37.3470 -37.0703 -37.0703 -37.0683 -37.0683 -37.0599 -37.0599 -37.0579 -37.0579 -3.0781 -3.0781 3.4675 3.4675 4.3432 4.3432 5.3844 5.3844 7.9606 7.9606 8.4318 8.4318 8.5384 8.5384 9.3218 9.3218 k = 0.1274 0.0735 0.2080 ( 3373 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3572 -37.3572 -37.3468 -37.3468 -37.0704 -37.0704 -37.0686 -37.0686 -37.0597 -37.0597 -37.0579 -37.0579 -3.1193 -3.1193 3.5878 3.5878 4.4411 4.4411 5.4057 5.4057 7.9463 7.9463 8.3882 8.3882 8.4918 8.4918 9.3264 9.3264 k = 0.1203 0.0694 0.1964 ( 3379 PWs) bands (ev): -70.4125 -70.4125 -70.4102 -70.4102 -37.3574 -37.3574 -37.3467 -37.3467 -37.0704 -37.0704 -37.0688 -37.0688 -37.0594 -37.0594 -37.0578 -37.0578 -3.1587 -3.1587 3.7105 3.7105 4.5376 4.5376 5.4248 5.4248 7.9283 7.9283 8.3476 8.3476 8.4477 8.4477 9.3183 9.3183 k = 0.1132 0.0654 0.1849 ( 3371 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3575 -37.3575 -37.3466 -37.3466 -37.0704 -37.0704 -37.0690 -37.0690 -37.0592 -37.0592 -37.0578 -37.0578 -3.1960 -3.1960 3.8353 3.8353 4.6324 4.6324 5.4417 5.4417 7.9074 7.9074 8.3103 8.3103 8.4061 8.4061 9.2931 9.2931 k = 0.1061 0.0613 0.1733 ( 3375 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3576 -37.3576 -37.3464 -37.3464 -37.0705 -37.0705 -37.0692 -37.0692 -37.0590 -37.0590 -37.0577 -37.0577 -3.2313 -3.2313 3.9620 3.9620 4.7250 4.7250 5.4566 5.4566 7.8841 7.8841 8.2761 8.2761 8.3671 8.3671 9.2474 9.2474 k = 0.0991 0.0572 0.1618 ( 3383 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3577 -37.3577 -37.3463 -37.3463 -37.0705 -37.0705 -37.0694 -37.0694 -37.0588 -37.0588 -37.0577 -37.0577 -3.2646 -3.2646 4.0904 4.0904 4.8150 4.8150 5.4696 5.4696 7.8589 7.8589 8.2450 8.2450 8.3306 8.3306 9.1802 9.1802 k = 0.0920 0.0531 0.1502 ( 3381 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3578 -37.3578 -37.3462 -37.3462 -37.0706 -37.0706 -37.0696 -37.0696 -37.0586 -37.0586 -37.0576 -37.0576 -3.2957 -3.2957 4.2200 4.2200 4.9020 4.9020 5.4809 5.4809 7.8318 7.8318 8.2170 8.2170 8.2966 8.2966 9.0933 9.0933 k = 0.0849 0.0490 0.1387 ( 3385 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3579 -37.3579 -37.3461 -37.3461 -37.0706 -37.0706 -37.0698 -37.0698 -37.0584 -37.0584 -37.0576 -37.0576 -3.3247 -3.3247 4.3505 4.3505 4.9854 4.9854 5.4906 5.4906 7.8029 7.8029 8.1920 8.1920 8.2651 8.2651 8.9906 8.9906 k = 0.0778 0.0449 0.1271 ( 3399 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3580 -37.3580 -37.3461 -37.3461 -37.0706 -37.0706 -37.0699 -37.0699 -37.0583 -37.0583 -37.0576 -37.0576 -3.3515 -3.3515 4.4814 4.4814 5.0647 5.0647 5.4989 5.4989 7.7719 7.7719 8.1702 8.1702 8.2362 8.2362 8.8772 8.8772 k = 0.0708 0.0409 0.1155 ( 3399 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3581 -37.3581 -37.3460 -37.3460 -37.0707 -37.0707 -37.0701 -37.0701 -37.0581 -37.0581 -37.0576 -37.0576 -3.3760 -3.3760 4.6120 4.6120 5.1395 5.1395 5.5059 5.5059 7.7383 7.7383 8.1512 8.1512 8.2098 8.2098 8.7583 8.7583 k = 0.0637 0.0368 0.1040 ( 3395 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3582 -37.3582 -37.3459 -37.3459 -37.0707 -37.0707 -37.0702 -37.0702 -37.0580 -37.0580 -37.0576 -37.0576 -3.3983 -3.3983 4.7415 4.7415 5.2092 5.2092 5.5118 5.5118 7.7012 7.7012 8.1351 8.1351 8.1861 8.1861 8.6391 8.6391 k = 0.0566 0.0327 0.0924 ( 3395 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3582 -37.3582 -37.3458 -37.3458 -37.0707 -37.0707 -37.0703 -37.0703 -37.0579 -37.0579 -37.0575 -37.0575 -3.4183 -3.4183 4.8688 4.8688 5.2733 5.2733 5.5167 5.5167 7.6597 7.6597 8.1215 8.1215 8.1648 8.1648 8.5243 8.5243 k = 0.0495 0.0286 0.0809 ( 3395 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3457 -37.3457 -37.0707 -37.0707 -37.0704 -37.0704 -37.0578 -37.0578 -37.0575 -37.0575 -3.4360 -3.4360 4.9927 4.9927 5.3312 5.3312 5.5208 5.5208 7.6128 7.6128 8.1104 8.1104 8.1461 8.1461 8.4184 8.4184 k = 0.0425 0.0245 0.0693 ( 3391 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3457 -37.3457 -37.0707 -37.0707 -37.0705 -37.0705 -37.0577 -37.0577 -37.0575 -37.0575 -3.4514 -3.4514 5.1111 5.1111 5.3824 5.3824 5.5242 5.5242 7.5603 7.5603 8.1014 8.1014 8.1301 8.1301 8.3252 8.3252 k = 0.0354 0.0204 0.0578 ( 3397 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0575 -37.0575 -3.4644 -3.4644 5.2218 5.2218 5.4265 5.4265 5.5271 5.5271 7.5029 7.5029 8.0941 8.0941 8.1167 8.1167 8.2473 8.2473 k = 0.0283 0.0163 0.0462 ( 3397 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0575 -37.0575 -3.4751 -3.4751 5.3214 5.3214 5.4631 5.4631 5.5297 5.5297 7.4435 7.4435 8.0881 8.0881 8.1062 8.1062 8.1858 8.1858 k = 0.0212 0.0123 0.0347 ( 3405 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0575 -37.0575 -3.4834 -3.4834 5.4057 5.4057 5.4918 5.4918 5.5324 5.5324 7.3872 7.3872 8.0828 8.0828 8.0984 8.0984 8.1405 8.1405 k = 0.0142 0.0082 0.0231 ( 3395 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3456 -37.3456 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0575 -37.0575 -3.4894 -3.4894 5.4686 5.4686 5.5134 5.5134 5.5359 5.5359 7.3401 7.3401 8.0780 8.0780 8.0936 8.0936 8.1105 8.1105 k = 0.0071 0.0041 0.0116 ( 3383 PWs) bands (ev): -70.4128 -70.4128 -70.4099 -70.4099 -37.3583 -37.3583 -37.3456 -37.3456 -37.0706 -37.0706 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4930 -3.4930 5.5015 5.5015 5.5320 5.5320 5.5397 5.5397 7.3086 7.3086 8.0734 8.0734 8.0911 8.0911 8.0947 8.0947 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -70.4129 -70.4129 -70.4099 -70.4099 -37.3583 -37.3583 -37.3456 -37.3456 -37.0706 -37.0706 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4942 -3.4942 5.5089 5.5089 5.5416 5.5416 5.5416 5.5416 7.2975 7.2975 8.0711 8.0711 8.0902 8.0902 8.0902 8.0902 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -70.4129 -70.4129 -70.4099 -70.4099 -37.3583 -37.3583 -37.3456 -37.3456 -37.0706 -37.0706 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4942 -3.4942 5.5089 5.5089 5.5416 5.5416 5.5416 5.5416 7.2975 7.2975 8.0711 8.0711 8.0902 8.0902 8.0902 8.0902 k = 0.0116 0.0067 0.0047 ( 3383 PWs) bands (ev): -70.4128 -70.4128 -70.4099 -70.4099 -37.3583 -37.3583 -37.3456 -37.3456 -37.0706 -37.0706 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4930 -3.4930 5.5011 5.5011 5.5319 5.5319 5.5401 5.5401 7.3087 7.3087 8.0737 8.0737 8.0925 8.0925 8.0931 8.0931 k = 0.0233 0.0134 0.0095 ( 3389 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3456 -37.3456 -37.0707 -37.0707 -37.0706 -37.0706 -37.0575 -37.0575 -37.0575 -37.0575 -3.4893 -3.4893 5.4636 5.4636 5.5182 5.5182 5.5355 5.5355 7.3401 7.3401 8.0817 8.0817 8.0997 8.0997 8.1015 8.1015 k = 0.0349 0.0201 0.0142 ( 3401 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0576 -37.0576 -3.4833 -3.4833 5.3931 5.3931 5.5079 5.5079 5.5278 5.5278 7.3857 7.3857 8.0959 8.0959 8.1132 8.1132 8.1154 8.1154 k = 0.0465 0.0269 0.0190 ( 3407 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3584 -37.3584 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0576 -37.0576 -3.4749 -3.4749 5.2994 5.2994 5.4966 5.4966 5.5174 5.5174 7.4368 7.4368 8.1171 8.1171 8.1344 8.1344 8.1357 8.1357 k = 0.0581 0.0336 0.0237 ( 3401 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3457 -37.3457 -37.0707 -37.0707 -37.0706 -37.0706 -37.0576 -37.0576 -37.0576 -37.0576 -3.4641 -3.4641 5.1886 5.1886 5.4832 5.4832 5.5043 5.5043 7.4844 7.4844 8.1436 8.1436 8.1583 8.1583 8.1737 8.1737 k = 0.0698 0.0403 0.0285 ( 3392 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3457 -37.3457 -37.0706 -37.0706 -37.0706 -37.0706 -37.0576 -37.0576 -37.0576 -37.0576 -3.4509 -3.4509 5.0650 5.0650 5.4674 5.4674 5.4887 5.4887 7.5208 7.5208 8.1729 8.1729 8.1865 8.1865 8.2326 8.2326 k = 0.0814 0.0470 0.0332 ( 3398 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3583 -37.3583 -37.3458 -37.3458 -37.0706 -37.0706 -37.0705 -37.0705 -37.0577 -37.0577 -37.0576 -37.0576 -3.4353 -3.4353 4.9322 4.9322 5.4496 5.4496 5.4710 5.4710 7.5420 7.5420 8.2052 8.2052 8.2185 8.2185 8.3132 8.3132 k = 0.0930 0.0537 0.0380 ( 3386 PWs) bands (ev): -70.4128 -70.4128 -70.4100 -70.4100 -37.3582 -37.3582 -37.3458 -37.3458 -37.0705 -37.0705 -37.0705 -37.0705 -37.0577 -37.0577 -37.0577 -37.0577 -3.4174 -3.4174 4.7926 4.7926 5.4299 5.4299 5.4513 5.4513 7.5481 7.5481 8.2404 8.2404 8.2536 8.2536 8.4129 8.4129 k = 0.1047 0.0604 0.0427 ( 3386 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3581 -37.3581 -37.3459 -37.3459 -37.0704 -37.0704 -37.0704 -37.0704 -37.0578 -37.0578 -37.0578 -37.0578 -3.3972 -3.3972 4.6480 4.6480 5.4085 5.4085 5.4300 5.4300 7.5414 7.5414 8.2779 8.2779 8.2910 8.2910 8.5278 8.5278 k = 0.1163 0.0671 0.0475 ( 3392 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3581 -37.3581 -37.3460 -37.3460 -37.0704 -37.0704 -37.0703 -37.0703 -37.0579 -37.0579 -37.0579 -37.0579 -3.3746 -3.3746 4.4999 4.4999 5.3858 5.3858 5.4072 5.4072 7.5250 7.5250 8.3166 8.3166 8.3297 8.3297 8.6539 8.6539 k = 0.1279 0.0738 0.0522 ( 3392 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3580 -37.3580 -37.3460 -37.3460 -37.0703 -37.0703 -37.0702 -37.0702 -37.0580 -37.0580 -37.0579 -37.0579 -3.3498 -3.3498 4.3495 4.3495 5.3619 5.3619 5.3833 5.3833 7.5015 7.5015 8.3558 8.3558 8.3690 8.3690 8.7880 8.7880 k = 0.1395 0.0806 0.0570 ( 3383 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3579 -37.3579 -37.3461 -37.3461 -37.0702 -37.0702 -37.0701 -37.0701 -37.0580 -37.0580 -37.0580 -37.0580 -3.3228 -3.3228 4.1975 4.1975 5.3372 5.3372 5.3586 5.3586 7.4730 7.4730 8.3944 8.3944 8.4075 8.4075 8.9276 8.9276 k = 0.1512 0.0873 0.0617 ( 3377 PWs) bands (ev): -70.4127 -70.4127 -70.4101 -70.4101 -37.3578 -37.3578 -37.3462 -37.3462 -37.0700 -37.0700 -37.0700 -37.0700 -37.0582 -37.0582 -37.0581 -37.0581 -3.2936 -3.2936 4.0447 4.0447 5.3118 5.3118 5.3332 5.3332 7.4408 7.4408 8.4310 8.4310 8.4442 8.4442 9.0710 9.0710 k = 0.1628 0.0940 0.0665 ( 3377 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3577 -37.3577 -37.3464 -37.3464 -37.0699 -37.0699 -37.0699 -37.0699 -37.0583 -37.0583 -37.0583 -37.0583 -3.2622 -3.2622 3.8916 3.8916 5.2860 5.2860 5.3073 5.3073 7.4062 7.4062 8.4646 8.4646 8.4777 8.4777 9.2168 9.2168 k = 0.1744 0.1007 0.0712 ( 3365 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3575 -37.3575 -37.3464 -37.3464 -37.0698 -37.0698 -37.0698 -37.0698 -37.0584 -37.0584 -37.0584 -37.0584 -3.2287 -3.2287 3.7386 3.7386 5.2600 5.2600 5.2813 5.2813 7.3700 7.3700 8.4939 8.4939 8.5068 8.5068 9.3638 9.3638 k = 0.1860 0.1074 0.0760 ( 3371 PWs) bands (ev): -70.4126 -70.4126 -70.4102 -70.4102 -37.3574 -37.3574 -37.3466 -37.3466 -37.0697 -37.0697 -37.0697 -37.0697 -37.0585 -37.0585 -37.0585 -37.0585 -3.1931 -3.1931 3.5862 3.5862 5.2339 5.2339 5.2551 5.2551 7.3327 7.3327 8.5177 8.5177 8.5305 8.5305 9.5112 9.5112 k = 0.1977 0.1141 0.0807 ( 3386 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3573 -37.3573 -37.3467 -37.3467 -37.0696 -37.0696 -37.0696 -37.0696 -37.0587 -37.0587 -37.0587 -37.0587 -3.1556 -3.1556 3.4348 3.4348 5.2079 5.2079 5.2291 5.2291 7.2950 7.2950 8.5351 8.5351 8.5476 8.5476 9.6579 9.6579 k = 0.2093 0.1208 0.0854 ( 3386 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3572 -37.3572 -37.3469 -37.3469 -37.0695 -37.0695 -37.0694 -37.0694 -37.0589 -37.0589 -37.0588 -37.0588 -3.1162 -3.1162 3.2846 3.2846 5.1821 5.1821 5.2034 5.2034 7.2572 7.2572 8.5455 8.5455 8.5578 8.5578 9.8030 9.8030 k = 0.2209 0.1276 0.0902 ( 3386 PWs) bands (ev): -70.4125 -70.4125 -70.4103 -70.4103 -37.3570 -37.3570 -37.3470 -37.3470 -37.0693 -37.0693 -37.0693 -37.0693 -37.0590 -37.0590 -37.0590 -37.0590 -3.0749 -3.0749 3.1359 3.1359 5.1568 5.1568 5.1781 5.1781 7.2197 7.2197 8.5488 8.5488 8.5608 8.5608 9.9453 9.9453 k = 0.2326 0.1343 0.0949 ( 3383 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3569 -37.3569 -37.3472 -37.3472 -37.0692 -37.0692 -37.0691 -37.0691 -37.0592 -37.0592 -37.0591 -37.0591 -3.0319 -3.0319 2.9890 2.9890 5.1320 5.1320 5.1532 5.1532 7.1828 7.1828 8.5450 8.5450 8.5567 8.5567 10.0833 10.0833 k = 0.2442 0.1410 0.0997 ( 3383 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3567 -37.3567 -37.3474 -37.3474 -37.0690 -37.0690 -37.0689 -37.0689 -37.0594 -37.0594 -37.0593 -37.0593 -2.9872 -2.9872 2.8441 2.8441 5.1078 5.1078 5.1290 5.1290 7.1466 7.1466 8.5348 8.5348 8.5461 8.5461 10.2149 10.2149 k = 0.2558 0.1477 0.1044 ( 3377 PWs) bands (ev): -70.4124 -70.4124 -70.4104 -70.4104 -37.3566 -37.3566 -37.3475 -37.3475 -37.0689 -37.0689 -37.0688 -37.0688 -37.0595 -37.0595 -37.0594 -37.0594 -2.9410 -2.9410 2.7016 2.7016 5.0842 5.0842 5.1055 5.1055 7.1114 7.1114 8.5189 8.5189 8.5299 8.5299 10.3372 10.3372 k = 0.2674 0.1544 0.1092 ( 3377 PWs) bands (ev): -70.4123 -70.4123 -70.4105 -70.4105 -37.3564 -37.3564 -37.3477 -37.3477 -37.0687 -37.0687 -37.0686 -37.0686 -37.0597 -37.0597 -37.0596 -37.0596 -2.8934 -2.8934 2.5615 2.5615 5.0615 5.0615 5.0827 5.0827 7.0773 7.0773 8.4982 8.4982 8.5089 8.5089 10.4466 10.4466 k = 0.2791 0.1611 0.1139 ( 3386 PWs) bands (ev): -70.4123 -70.4123 -70.4105 -70.4105 -37.3563 -37.3563 -37.3479 -37.3479 -37.0685 -37.0685 -37.0684 -37.0684 -37.0599 -37.0599 -37.0598 -37.0598 -2.8446 -2.8446 2.4242 2.4242 5.0396 5.0396 5.0608 5.0608 7.0444 7.0444 8.4737 8.4737 8.4841 8.4841 10.5389 10.5389 k = 0.2907 0.1678 0.1187 ( 3380 PWs) bands (ev): -70.4122 -70.4122 -70.4105 -70.4105 -37.3561 -37.3561 -37.3481 -37.3481 -37.0684 -37.0684 -37.0682 -37.0682 -37.0601 -37.0601 -37.0600 -37.0600 -2.7946 -2.7946 2.2900 2.2900 5.0186 5.0186 5.0399 5.0399 7.0128 7.0128 8.4465 8.4465 8.4566 8.4566 10.6102 10.6102 k = 0.3023 0.1745 0.1234 ( 3380 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3559 -37.3559 -37.3483 -37.3483 -37.0682 -37.0682 -37.0681 -37.0681 -37.0603 -37.0603 -37.0602 -37.0602 -2.7438 -2.7438 2.1591 2.1591 4.9986 4.9986 5.0198 5.0198 6.9827 6.9827 8.4173 8.4173 8.4272 8.4272 10.6590 10.6590 k = 0.3140 0.1813 0.1282 ( 3386 PWs) bands (ev): -70.4122 -70.4122 -70.4106 -70.4106 -37.3557 -37.3557 -37.3484 -37.3484 -37.0680 -37.0680 -37.0679 -37.0679 -37.0605 -37.0605 -37.0604 -37.0604 -2.6924 -2.6924 2.0317 2.0317 4.9796 4.9796 5.0008 5.0008 6.9540 6.9540 8.3869 8.3869 8.3965 8.3965 10.6866 10.6866 k = 0.3256 0.1880 0.1329 ( 3386 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3555 -37.3555 -37.3487 -37.3487 -37.0678 -37.0678 -37.0677 -37.0677 -37.0607 -37.0607 -37.0606 -37.0606 -2.6405 -2.6405 1.9083 1.9083 4.9616 4.9616 4.9828 4.9828 6.9269 6.9269 8.3561 8.3561 8.3655 8.3655 10.6968 10.6968 k = 0.3372 0.1947 0.1377 ( 3386 PWs) bands (ev): -70.4121 -70.4121 -70.4107 -70.4107 -37.3553 -37.3553 -37.3489 -37.3489 -37.0676 -37.0676 -37.0675 -37.0675 -37.0609 -37.0609 -37.0608 -37.0608 -2.5884 -2.5884 1.7892 1.7892 4.9446 4.9446 4.9659 4.9659 6.9014 6.9014 8.3253 8.3253 8.3346 8.3346 10.6942 10.6942 k = 0.3488 0.2014 0.1424 ( 3374 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3551 -37.3551 -37.3491 -37.3491 -37.0673 -37.0673 -37.0672 -37.0672 -37.0612 -37.0612 -37.0610 -37.0610 -2.5366 -2.5366 1.6747 1.6747 4.9288 4.9288 4.9501 4.9501 6.8775 6.8775 8.2952 8.2952 8.3044 8.3044 10.6831 10.6831 k = 0.3605 0.2081 0.1472 ( 3383 PWs) bands (ev): -70.4120 -70.4120 -70.4108 -70.4108 -37.3549 -37.3549 -37.3493 -37.3493 -37.0671 -37.0671 -37.0670 -37.0670 -37.0614 -37.0614 -37.0613 -37.0613 -2.4853 -2.4853 1.5652 1.5652 4.9141 4.9141 4.9354 4.9354 6.8553 6.8553 8.2661 8.2661 8.2751 8.2751 10.6667 10.6667 k = 0.3721 0.2148 0.1519 ( 3380 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3547 -37.3547 -37.3495 -37.3495 -37.0669 -37.0669 -37.0668 -37.0668 -37.0616 -37.0616 -37.0615 -37.0615 -2.4349 -2.4349 1.4611 1.4611 4.9005 4.9005 4.9218 4.9218 6.8349 6.8349 8.2383 8.2383 8.2472 8.2472 10.6474 10.6474 k = 0.3837 0.2215 0.1567 ( 3374 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3544 -37.3544 -37.3498 -37.3498 -37.0667 -37.0667 -37.0666 -37.0666 -37.0619 -37.0619 -37.0617 -37.0617 -2.3860 -2.3860 1.3631 1.3631 4.8881 4.8881 4.9094 4.9094 6.8161 6.8161 8.2123 8.2123 8.2210 8.2210 10.6268 10.6268 k = 0.3953 0.2283 0.1614 ( 3374 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3542 -37.3542 -37.3500 -37.3500 -37.0664 -37.0664 -37.0663 -37.0663 -37.0621 -37.0621 -37.0620 -37.0620 -2.3390 -2.3390 1.2715 1.2715 4.8768 4.8768 4.8982 4.8982 6.7991 6.7991 8.1880 8.1880 8.1967 8.1967 10.6062 10.6062 k = 0.4070 0.2350 0.1661 ( 3380 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3540 -37.3540 -37.3502 -37.3502 -37.0662 -37.0662 -37.0661 -37.0661 -37.0623 -37.0623 -37.0622 -37.0622 -2.2944 -2.2944 1.1871 1.1871 4.8667 4.8667 4.8881 4.8881 6.7839 6.7839 8.1659 8.1659 8.1745 8.1745 10.5863 10.5863 k = 0.4186 0.2417 0.1709 ( 3380 PWs) bands (ev): -70.4117 -70.4117 -70.4110 -70.4110 -37.3538 -37.3538 -37.3505 -37.3505 -37.0660 -37.0660 -37.0659 -37.0659 -37.0626 -37.0626 -37.0625 -37.0625 -2.2530 -2.2530 1.1103 1.1103 4.8578 4.8578 4.8792 4.8792 6.7704 6.7704 8.1460 8.1460 8.1546 8.1546 10.5678 10.5678 k = 0.4302 0.2484 0.1756 ( 3386 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3535 -37.3535 -37.3507 -37.3507 -37.0657 -37.0657 -37.0656 -37.0656 -37.0629 -37.0629 -37.0627 -37.0627 -2.2152 -2.2152 1.0420 1.0420 4.8501 4.8501 4.8714 4.8714 6.7587 6.7587 8.1285 8.1285 8.1371 8.1371 10.5511 10.5511 k = 0.4419 0.2551 0.1804 ( 3383 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3533 -37.3533 -37.3510 -37.3510 -37.0655 -37.0655 -37.0654 -37.0654 -37.0631 -37.0631 -37.0630 -37.0630 -2.1818 -2.1818 0.9827 0.9827 4.8435 4.8435 4.8649 4.8649 6.7488 6.7488 8.1136 8.1136 8.1221 8.1221 10.5365 10.5365 k = 0.4535 0.2618 0.1851 ( 3377 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3512 -37.3512 -37.0653 -37.0653 -37.0651 -37.0651 -37.0633 -37.0633 -37.0632 -37.0632 -2.1534 -2.1534 0.9330 0.9330 4.8381 4.8381 4.8595 4.8595 6.7407 6.7407 8.1013 8.1013 8.1097 8.1097 10.5243 10.5243 k = 0.4651 0.2685 0.1899 ( 3377 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3528 -37.3528 -37.3514 -37.3514 -37.0650 -37.0650 -37.0649 -37.0649 -37.0636 -37.0636 -37.0634 -37.0634 -2.1306 -2.1306 0.8937 0.8937 4.8340 4.8340 4.8554 4.8554 6.7344 6.7344 8.0916 8.0916 8.1000 8.1000 10.5146 10.5146 k = 0.4767 0.2752 0.1946 ( 3372 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3526 -37.3526 -37.3516 -37.3516 -37.0648 -37.0648 -37.0646 -37.0646 -37.0638 -37.0638 -37.0636 -37.0636 -2.1139 -2.1139 0.8651 0.8651 4.8310 4.8310 4.8524 4.8524 6.7299 6.7299 8.0847 8.0847 8.0930 8.0930 10.5077 10.5077 k = 0.4884 0.2820 0.1994 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3523 -37.3523 -37.3518 -37.3518 -37.0645 -37.0645 -37.0644 -37.0644 -37.0640 -37.0640 -37.0639 -37.0639 -2.1037 -2.1037 0.8479 0.8479 4.8292 4.8292 4.8506 4.8506 6.7272 6.7272 8.0805 8.0805 8.0889 8.0889 10.5035 10.5035 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0643 -37.0643 -37.0642 -37.0642 -37.0642 -37.0642 -37.0641 -37.0641 -2.1002 -2.1002 0.8421 0.8421 4.8286 4.8286 4.8500 4.8500 6.7263 6.7263 8.0791 8.0791 8.0875 8.0875 10.5021 10.5021 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0643 -37.0643 -37.0642 -37.0642 -37.0642 -37.0642 -37.0641 -37.0641 -2.1002 -2.1002 0.8421 0.8421 4.8286 4.8286 4.8500 4.8500 6.7263 6.7263 8.0791 8.0791 8.0875 8.0875 10.5021 10.5021 k = 0.5040 0.2770 0.2107 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0645 -37.0645 -37.0644 -37.0644 -37.0640 -37.0640 -37.0639 -37.0639 -2.0993 -2.0993 0.8433 0.8433 4.8197 4.8197 4.8435 4.8435 6.7385 6.7385 8.0771 8.0771 8.0898 8.0898 10.5110 10.5110 k = 0.5081 0.2654 0.2173 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0647 -37.0647 -37.0646 -37.0646 -37.0638 -37.0638 -37.0637 -37.0637 -2.0967 -2.0967 0.8469 0.8469 4.7855 4.7855 4.8323 4.8323 6.7738 6.7738 8.0646 8.0646 8.1035 8.1035 10.5374 10.5374 k = 0.5121 0.2538 0.2239 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0650 -37.0650 -37.0648 -37.0648 -37.0636 -37.0636 -37.0634 -37.0634 -2.0923 -2.0923 0.8530 0.8530 4.7264 4.7264 4.8192 4.8192 6.8285 6.8285 8.0442 8.0442 8.1279 8.1279 10.5799 10.5799 k = 0.5161 0.2421 0.2305 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0652 -37.0652 -37.0650 -37.0650 -37.0634 -37.0634 -37.0632 -37.0632 -2.0862 -2.0862 0.8615 0.8615 4.6481 4.6481 4.8027 4.8027 6.8975 6.8975 8.0193 8.0193 8.1619 8.1619 10.6363 10.6363 k = 0.5202 0.2305 0.2370 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0654 -37.0654 -37.0653 -37.0653 -37.0631 -37.0631 -37.0630 -37.0630 -2.0784 -2.0784 0.8723 0.8723 4.5551 4.5551 4.7824 4.7824 6.9745 6.9745 7.9940 7.9940 8.2053 8.2053 10.7038 10.7038 k = 0.5242 0.2188 0.2436 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0656 -37.0656 -37.0655 -37.0655 -37.0629 -37.0629 -37.0628 -37.0628 -2.0688 -2.0688 0.8856 0.8856 4.4508 4.4508 4.7585 4.7585 7.0522 7.0522 7.9739 7.9739 8.2575 8.2575 10.7788 10.7788 k = 0.5282 0.2072 0.2502 ( 3369 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0659 -37.0659 -37.0657 -37.0657 -37.0627 -37.0627 -37.0626 -37.0626 -2.0576 -2.0576 0.9013 0.9013 4.3384 4.3384 4.7313 4.7313 7.1219 7.1219 7.9664 7.9664 8.3181 8.3181 10.8566 10.8566 k = 0.5323 0.1956 0.2568 ( 3361 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0661 -37.0661 -37.0659 -37.0659 -37.0625 -37.0625 -37.0623 -37.0623 -2.0448 -2.0448 0.9194 0.9194 4.2199 4.2199 4.7013 4.7013 7.1744 7.1744 7.9800 7.9800 8.3868 8.3868 10.9311 10.9311 k = 0.5363 0.1839 0.2634 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0663 -37.0663 -37.0661 -37.0661 -37.0623 -37.0623 -37.0621 -37.0621 -2.0305 -2.0305 0.9398 0.9398 4.0972 4.0972 4.6689 4.6689 7.2022 7.2022 8.0217 8.0217 8.4632 8.4632 10.9941 10.9941 k = 0.5403 0.1723 0.2700 ( 3363 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0665 -37.0665 -37.0663 -37.0663 -37.0620 -37.0620 -37.0619 -37.0619 -2.0146 -2.0146 0.9626 0.9626 3.9718 3.9718 4.6344 4.6344 7.2036 7.2036 8.0930 8.0930 8.5467 8.5467 11.0351 11.0351 k = 0.5444 0.1606 0.2766 ( 3357 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0667 -37.0667 -37.0665 -37.0665 -37.0618 -37.0618 -37.0617 -37.0617 -1.9973 -1.9973 0.9876 0.9876 3.8447 3.8447 4.5983 4.5983 7.1827 7.1827 8.1896 8.1896 8.6370 8.6370 11.0436 11.0436 k = 0.5484 0.1490 0.2831 ( 3359 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0669 -37.0669 -37.0667 -37.0667 -37.0616 -37.0616 -37.0615 -37.0615 -1.9786 -1.9786 1.0150 1.0150 3.7167 3.7167 4.5610 4.5610 7.1456 7.1456 8.3050 8.3050 8.7337 8.7337 11.0139 11.0139 k = 0.5524 0.1374 0.2897 ( 3361 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0671 -37.0671 -37.0669 -37.0669 -37.0615 -37.0615 -37.0613 -37.0613 -1.9587 -1.9587 1.0446 1.0446 3.5887 3.5887 4.5227 4.5227 7.0981 7.0981 8.4334 8.4334 8.8364 8.8364 10.9494 10.9494 k = 0.5565 0.1257 0.2963 ( 3363 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3521 -37.3521 -37.0673 -37.0673 -37.0671 -37.0671 -37.0613 -37.0613 -37.0611 -37.0611 -1.9375 -1.9375 1.0764 1.0764 3.4612 3.4612 4.4839 4.4839 7.0443 7.0443 8.5704 8.5704 8.9448 8.9448 10.8590 10.8590 k = 0.5605 0.1141 0.3029 ( 3361 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3521 -37.3521 -37.0675 -37.0675 -37.0672 -37.0672 -37.0611 -37.0611 -37.0609 -37.0609 -1.9153 -1.9153 1.1103 1.1103 3.3348 3.3348 4.4448 4.4448 6.9868 6.9868 8.7127 8.7127 9.0587 9.0587 10.7525 10.7525 k = 0.5645 0.1024 0.3095 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3523 -37.3523 -37.3521 -37.3521 -37.0677 -37.0677 -37.0674 -37.0674 -37.0609 -37.0609 -37.0607 -37.0607 -1.8922 -1.8922 1.1463 1.1463 3.2101 3.2101 4.4057 4.4057 6.9275 6.9275 8.8575 8.8575 9.1776 9.1776 10.6376 10.6376 k = 0.5685 0.0908 0.3161 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3523 -37.3523 -37.3521 -37.3521 -37.0679 -37.0679 -37.0675 -37.0675 -37.0608 -37.0608 -37.0605 -37.0605 -1.8682 -1.8682 1.1843 1.1843 3.0875 3.0875 4.3668 4.3668 6.8677 6.8677 9.0018 9.0018 9.3014 9.3014 10.5206 10.5206 k = 0.5726 0.0792 0.3226 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3524 -37.3524 -37.3520 -37.3520 -37.0681 -37.0681 -37.0677 -37.0677 -37.0606 -37.0606 -37.0603 -37.0603 -1.8436 -1.8436 1.2241 1.2241 2.9675 2.9675 4.3284 4.3284 6.8083 6.8083 9.1415 9.1415 9.4298 9.4298 10.4076 10.4076 k = 0.5766 0.0675 0.3292 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3524 -37.3524 -37.3520 -37.3520 -37.0683 -37.0683 -37.0678 -37.0678 -37.0605 -37.0605 -37.0601 -37.0601 -1.8186 -1.8186 1.2656 1.2656 2.8506 2.8506 4.2906 4.2906 6.7499 6.7499 9.2699 9.2699 9.5627 9.5627 10.3067 10.3067 k = 0.5806 0.0559 0.3358 ( 3360 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3525 -37.3525 -37.3520 -37.3520 -37.0685 -37.0685 -37.0679 -37.0679 -37.0604 -37.0604 -37.0599 -37.0599 -1.7932 -1.7932 1.3087 1.3087 2.7374 2.7374 4.2536 4.2536 6.6930 6.6930 9.3746 9.3746 9.6997 9.6997 10.2311 10.2311 k = 0.5847 0.0442 0.3424 ( 3358 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3525 -37.3525 -37.3520 -37.3520 -37.0687 -37.0687 -37.0680 -37.0680 -37.0603 -37.0603 -37.0597 -37.0597 -1.7679 -1.7679 1.3529 1.3529 2.6285 2.6285 4.2176 4.2176 6.6380 6.6380 9.4359 9.4359 9.8407 9.8407 10.2009 10.2009 k = 0.5887 0.0326 0.3490 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3526 -37.3526 -37.3519 -37.3519 -37.0688 -37.0688 -37.0681 -37.0681 -37.0602 -37.0602 -37.0596 -37.0596 -1.7427 -1.7427 1.3979 1.3979 2.5246 2.5246 4.1827 4.1827 6.5851 6.5851 9.4370 9.4370 9.9856 9.9856 10.2332 10.2332 k = 0.5927 0.0210 0.3556 ( 3364 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3526 -37.3526 -37.3519 -37.3519 -37.0690 -37.0690 -37.0682 -37.0682 -37.0601 -37.0601 -37.0594 -37.0594 -1.7180 -1.7180 1.4430 1.4430 2.4268 2.4268 4.1490 4.1490 6.5346 6.5346 9.3838 9.3838 10.1341 10.1341 10.3224 10.3224 k = 0.5968 0.0093 0.3622 ( 3362 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3519 -37.3519 -37.0692 -37.0692 -37.0682 -37.0682 -37.0600 -37.0600 -37.0592 -37.0592 -1.6941 -1.6941 1.4873 1.4873 2.3364 2.3364 4.1167 4.1167 6.4866 6.4866 9.2966 9.2966 10.2860 10.2860 10.4482 10.4482 k = 0.6008-0.0023 0.3687 ( 3362 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3518 -37.3518 -37.0694 -37.0694 -37.0683 -37.0683 -37.0599 -37.0599 -37.0591 -37.0591 -1.6713 -1.6713 1.5292 1.5292 2.2553 2.2553 4.0859 4.0859 6.4413 6.4413 9.1916 9.1916 10.4411 10.4411 10.5944 10.5944 k = 0.6048-0.0140 0.3753 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3518 -37.3518 -37.0695 -37.0695 -37.0683 -37.0683 -37.0599 -37.0599 -37.0589 -37.0589 -1.6499 -1.6499 1.5662 1.5662 2.1864 2.1864 4.0565 4.0565 6.3989 6.3989 9.0776 9.0776 10.5989 10.5989 10.7518 10.7518 k = 0.6089-0.0256 0.3819 ( 3356 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0697 -37.0697 -37.0683 -37.0683 -37.0598 -37.0598 -37.0587 -37.0587 -1.6304 -1.6304 1.5946 1.5946 2.1337 2.1337 4.0288 4.0288 6.3594 6.3594 8.9594 8.9594 10.7590 10.7590 10.9155 10.9155 k = 0.6129-0.0372 0.3885 ( 3352 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3516 -37.3516 -37.0698 -37.0698 -37.0684 -37.0684 -37.0598 -37.0598 -37.0586 -37.0586 -1.6131 -1.6131 1.6102 1.6102 2.1020 2.1020 4.0028 4.0028 6.3228 6.3228 8.8394 8.8394 10.9201 10.9201 11.0819 11.0819 k = 0.6169-0.0489 0.3951 ( 3350 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0700 -37.0700 -37.0683 -37.0683 -37.0598 -37.0598 -37.0584 -37.0584 -1.5984 -1.5984 1.6100 1.6100 2.0945 2.0945 3.9785 3.9785 6.2894 6.2894 8.7192 8.7192 11.0792 11.0792 11.2468 11.2468 k = 0.6210-0.0605 0.4017 ( 3354 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0701 -37.0701 -37.0683 -37.0683 -37.0598 -37.0598 -37.0583 -37.0583 -1.5868 -1.5868 1.5953 1.5953 2.1105 2.1105 3.9559 3.9559 6.2590 6.2590 8.5997 8.5997 11.2273 11.2273 11.4012 11.4012 k = 0.6250-0.0722 0.4082 ( 3352 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0581 -37.0581 -1.5786 -1.5786 1.5713 1.5713 2.1450 2.1450 3.9353 3.9353 6.2319 6.2319 8.4815 8.4815 11.3344 11.3344 11.5143 11.5143 k = 0.6250-0.0722 0.4082 ( 3352 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0581 -37.0581 -1.5786 -1.5786 1.5713 1.5713 2.1450 2.1450 3.9353 3.9353 6.2319 6.2319 8.4815 8.4815 11.3344 11.3344 11.5143 11.5143 k = 0.6181-0.0682 0.4196 ( 3357 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0703 -37.0703 -37.0683 -37.0683 -37.0598 -37.0598 -37.0582 -37.0582 -1.5782 -1.5782 1.5726 1.5726 2.1455 2.1455 3.9249 3.9249 6.2459 6.2459 8.4824 8.4824 11.2843 11.2843 11.4038 11.4038 k = 0.6111-0.0642 0.4309 ( 3355 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3515 -37.3515 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0582 -37.0582 -1.5770 -1.5770 1.5764 1.5764 2.1468 2.1468 3.8946 3.8946 6.2872 6.2872 8.4851 8.4851 11.1724 11.1724 11.2609 11.2609 k = 0.6042-0.0601 0.4423 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3515 -37.3515 -37.0702 -37.0702 -37.0684 -37.0684 -37.0598 -37.0598 -37.0582 -37.0582 -1.5750 -1.5750 1.5827 1.5827 2.1489 2.1489 3.8466 3.8466 6.3535 6.3535 8.4896 8.4896 11.0388 11.0388 11.1164 11.1164 k = 0.5972-0.0561 0.4536 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0702 -37.0702 -37.0684 -37.0684 -37.0598 -37.0598 -37.0582 -37.0582 -1.5722 -1.5722 1.5916 1.5916 2.1517 2.1517 3.7840 3.7840 6.4418 6.4418 8.4959 8.4959 10.8982 10.8982 10.9716 10.9716 k = 0.5903-0.0521 0.4649 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0702 -37.0702 -37.0684 -37.0684 -37.0598 -37.0598 -37.0582 -37.0582 -1.5688 -1.5688 1.6031 1.6031 2.1549 2.1549 3.7104 3.7104 6.5488 6.5488 8.5040 8.5040 10.7557 10.7557 10.8271 10.8271 k = 0.5833-0.0481 0.4763 ( 3364 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3516 -37.3516 -37.0702 -37.0702 -37.0685 -37.0685 -37.0597 -37.0597 -37.0582 -37.0582 -1.5647 -1.5647 1.6170 1.6170 2.1583 2.1583 3.6291 3.6291 6.6712 6.6712 8.5138 8.5138 10.6136 10.6136 10.6831 10.6831 k = 0.5764-0.0441 0.4876 ( 3356 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0701 -37.0701 -37.0685 -37.0685 -37.0597 -37.0597 -37.0582 -37.0582 -1.5600 -1.5600 1.6335 1.6335 2.1616 2.1616 3.5432 3.5432 6.8063 6.8063 8.5253 8.5253 10.4735 10.4735 10.5398 10.5398 k = 0.5694-0.0401 0.4990 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0701 -37.0701 -37.0686 -37.0686 -37.0596 -37.0596 -37.0583 -37.0583 -1.5548 -1.5548 1.6525 1.6525 2.1641 2.1641 3.4554 3.4554 6.9515 6.9515 8.5386 8.5386 10.3360 10.3360 10.3974 10.3974 k = 0.5625-0.0361 0.5103 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0700 -37.0700 -37.0686 -37.0686 -37.0596 -37.0596 -37.0583 -37.0583 -1.5493 -1.5493 1.6740 1.6740 2.1653 2.1653 3.3681 3.3681 7.1045 7.1045 8.5537 8.5537 10.2021 10.2021 10.2560 10.2560 k = 0.5556-0.0321 0.5217 ( 3354 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0700 -37.0700 -37.0687 -37.0687 -37.0595 -37.0595 -37.0583 -37.0583 -1.5436 -1.5436 1.6980 1.6980 2.1645 2.1645 3.2837 3.2837 7.2632 7.2632 8.5708 8.5708 10.0726 10.0726 10.1158 10.1158 k = 0.5486-0.0281 0.5330 ( 3358 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3518 -37.3518 -37.0699 -37.0699 -37.0688 -37.0688 -37.0595 -37.0595 -37.0584 -37.0584 -1.5378 -1.5378 1.7244 1.7244 2.1605 2.1605 3.2044 3.2044 7.4253 7.4253 8.5904 8.5904 9.9485 9.9485 9.9769 9.9769 k = 0.5417-0.0241 0.5443 ( 3358 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3518 -37.3518 -37.0699 -37.0699 -37.0688 -37.0688 -37.0594 -37.0594 -37.0585 -37.0585 -1.5321 -1.5321 1.7534 1.7534 2.1523 2.1523 3.1323 3.1323 7.5878 7.5878 8.6135 8.6135 9.8309 9.8309 9.8394 9.8394 k = 0.5347-0.0200 0.5557 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3519 -37.3519 -37.0698 -37.0698 -37.0689 -37.0689 -37.0593 -37.0593 -37.0585 -37.0585 -1.5266 -1.5266 1.7847 1.7847 2.1388 2.1388 3.0694 3.0694 7.7466 7.7466 8.6421 8.6421 9.7034 9.7034 9.7214 9.7214 k = 0.5278-0.0160 0.5670 ( 3364 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3520 -37.3520 -37.0698 -37.0698 -37.0690 -37.0690 -37.0593 -37.0593 -37.0586 -37.0586 -1.5216 -1.5216 1.8185 1.8185 2.1191 2.1191 3.0172 3.0172 7.8954 7.8954 8.6803 8.6803 9.5690 9.5690 9.6219 9.6219 k = 0.5208-0.0120 0.5784 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3526 -37.3526 -37.3521 -37.3521 -37.0697 -37.0697 -37.0691 -37.0691 -37.0592 -37.0592 -37.0587 -37.0587 -1.5173 -1.5173 1.8547 1.8547 2.0926 2.0926 2.9771 2.9771 8.0242 8.0242 8.7351 8.7351 9.4364 9.4364 9.5347 9.5347 k = 0.5139-0.0080 0.5897 ( 3370 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3525 -37.3525 -37.3522 -37.3522 -37.0696 -37.0696 -37.0692 -37.0692 -37.0591 -37.0591 -37.0587 -37.0587 -1.5139 -1.5139 1.8933 1.8933 2.0595 2.0595 2.9492 2.9492 8.1211 8.1211 8.8150 8.8150 9.3055 9.3055 9.4631 9.4631 k = 0.5069-0.0040 0.6010 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3525 -37.3525 -37.3523 -37.3523 -37.0695 -37.0695 -37.0693 -37.0693 -37.0590 -37.0590 -37.0589 -37.0589 -1.5117 -1.5117 1.9342 1.9342 2.0209 2.0209 2.9332 2.9332 8.1777 8.1777 8.9234 8.9234 9.1765 9.1765 9.4117 9.4117 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3524 -37.3524 -37.3523 -37.3523 -37.0695 -37.0695 -37.0694 -37.0694 -37.0590 -37.0590 -37.0589 -37.0589 -1.5109 -1.5109 1.9736 1.9736 1.9819 1.9819 2.9282 2.9282 8.1950 8.1950 9.0470 9.0470 9.0520 9.0520 9.3902 9.3902 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3524 -37.3524 -37.3523 -37.3523 -37.0695 -37.0695 -37.0694 -37.0694 -37.0590 -37.0590 -37.0589 -37.0589 -1.5109 -1.5109 1.9736 1.9736 1.9819 1.9819 2.9282 2.9282 8.1950 8.1950 9.0470 9.0470 9.0520 9.0520 9.3902 9.3902 k = 0.5000 0.0082 0.6007 ( 3380 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3524 -37.3524 -37.3523 -37.3523 -37.0695 -37.0695 -37.0694 -37.0694 -37.0590 -37.0590 -37.0589 -37.0589 -1.5125 -1.5125 1.9698 1.9698 1.9833 1.9833 2.9362 2.9362 8.1884 8.1884 9.0261 9.0261 9.0594 9.0594 9.4156 9.4156 k = 0.5000 0.0165 0.5890 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3524 -37.3524 -37.3523 -37.3523 -37.0694 -37.0694 -37.0693 -37.0693 -37.0590 -37.0590 -37.0589 -37.0589 -1.5172 -1.5172 1.9522 1.9522 1.9946 1.9946 2.9597 2.9597 8.1697 8.1697 8.9702 8.9702 9.0877 9.0877 9.4783 9.4783 k = 0.5000 0.0247 0.5774 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0694 -37.0694 -37.0693 -37.0693 -37.0590 -37.0590 -37.0589 -37.0589 -1.5251 -1.5251 1.9231 1.9231 2.0149 2.0149 2.9968 2.9968 8.1409 8.1409 8.8998 8.8998 9.1323 9.1323 9.5597 9.5597 k = 0.5000 0.0330 0.5657 ( 3356 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0694 -37.0694 -37.0692 -37.0692 -37.0590 -37.0590 -37.0589 -37.0589 -1.5359 -1.5359 1.8856 1.8856 2.0433 2.0433 3.0454 3.0454 8.1051 8.1051 8.8241 8.8241 9.1905 9.1905 9.6507 9.6507 k = 0.5000 0.0412 0.5541 ( 3356 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0693 -37.0693 -37.0692 -37.0692 -37.0591 -37.0591 -37.0590 -37.0590 -1.5495 -1.5495 1.8419 1.8419 2.0796 2.0796 3.1031 3.1031 8.0648 8.0648 8.7468 8.7468 9.2596 9.2596 9.7473 9.7473 k = 0.5000 0.0495 0.5424 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0693 -37.0693 -37.0691 -37.0691 -37.0591 -37.0591 -37.0590 -37.0590 -1.5656 -1.5656 1.7939 1.7939 2.1234 2.1234 3.1681 3.1681 8.0221 8.0221 8.6696 8.6696 9.3375 9.3375 9.8478 9.8478 k = 0.5000 0.0577 0.5307 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0692 -37.0692 -37.0691 -37.0691 -37.0592 -37.0592 -37.0591 -37.0591 -1.5840 -1.5840 1.7431 1.7431 2.1745 2.1745 3.2386 3.2386 7.9787 7.9787 8.5934 8.5934 9.4225 9.4225 9.9511 9.9511 k = 0.5000 0.0660 0.5191 ( 3356 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0691 -37.0691 -37.0690 -37.0690 -37.0593 -37.0593 -37.0592 -37.0592 -1.6044 -1.6044 1.6907 1.6907 2.2326 2.2326 3.3134 3.3134 7.9359 7.9359 8.5186 8.5186 9.5134 9.5134 10.0563 10.0563 k = 0.5000 0.0742 0.5074 ( 3356 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0690 -37.0690 -37.0689 -37.0689 -37.0594 -37.0594 -37.0593 -37.0593 -1.6266 -1.6266 1.6376 1.6376 2.2974 2.2974 3.3914 3.3914 7.8946 7.8946 8.4454 8.4454 9.6093 9.6093 10.1624 10.1624 k = 0.5000 0.0825 0.4957 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0689 -37.0689 -37.0688 -37.0688 -37.0595 -37.0595 -37.0594 -37.0594 -1.6501 -1.6501 1.5845 1.5845 2.3685 2.3685 3.4718 3.4718 7.8555 7.8555 8.3739 8.3739 9.7094 9.7094 10.2680 10.2680 k = 0.5000 0.0907 0.4841 ( 3360 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3523 -37.3523 -37.0688 -37.0688 -37.0687 -37.0687 -37.0596 -37.0596 -37.0595 -37.0595 -1.6749 -1.6749 1.5318 1.5318 2.4456 2.4456 3.5539 3.5539 7.8193 7.8193 8.3042 8.3042 9.8131 9.8131 10.3704 10.3704 k = 0.5000 0.0990 0.4724 ( 3360 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0687 -37.0687 -37.0686 -37.0686 -37.0597 -37.0597 -37.0596 -37.0596 -1.7004 -1.7004 1.4800 1.4800 2.5283 2.5283 3.6370 3.6370 7.7865 7.7865 8.2362 8.2362 9.9200 9.9200 10.4633 10.4633 k = 0.5000 0.1072 0.4607 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0686 -37.0686 -37.0685 -37.0685 -37.0599 -37.0599 -37.0598 -37.0598 -1.7266 -1.7266 1.4293 1.4293 2.6164 2.6164 3.7206 3.7206 7.7574 7.7574 8.1699 8.1699 10.0295 10.0295 10.5296 10.5296 k = 0.5000 0.1155 0.4491 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0685 -37.0685 -37.0683 -37.0683 -37.0600 -37.0600 -37.0599 -37.0599 -1.7532 -1.7532 1.3800 1.3800 2.7095 2.7095 3.8041 3.8041 7.7324 7.7324 8.1052 8.1052 10.1410 10.1410 10.5288 10.5288 k = 0.5000 0.1237 0.4374 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0683 -37.0683 -37.0682 -37.0682 -37.0601 -37.0601 -37.0600 -37.0600 -1.7798 -1.7798 1.3324 1.3324 2.8072 2.8072 3.8871 3.8871 7.7118 7.7118 8.0420 8.0420 10.2540 10.2540 10.4294 10.4294 k = 0.5000 0.1320 0.4257 ( 3372 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0682 -37.0682 -37.0681 -37.0681 -37.0603 -37.0603 -37.0602 -37.0602 -1.8063 -1.8063 1.2865 1.2865 2.9094 2.9094 3.9690 3.9690 7.6960 7.6960 7.9801 7.9801 10.2677 10.2677 10.3681 10.3681 k = 0.5000 0.1402 0.4141 ( 3374 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0680 -37.0680 -37.0679 -37.0679 -37.0605 -37.0605 -37.0604 -37.0604 -1.8325 -1.8325 1.2425 1.2425 3.0155 3.0155 4.0495 4.0495 7.6851 7.6851 7.9191 7.9191 10.0840 10.0840 10.4816 10.4816 k = 0.5000 0.1485 0.4024 ( 3378 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3522 -37.3522 -37.0679 -37.0679 -37.0677 -37.0677 -37.0607 -37.0607 -37.0606 -37.0606 -1.8581 -1.8581 1.2004 1.2004 3.1253 3.1253 4.1279 4.1279 7.6794 7.6794 7.8589 7.8589 9.8939 9.8939 10.5938 10.5938 k = 0.5000 0.1567 0.3908 ( 3376 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3522 -37.3522 -37.0677 -37.0677 -37.0676 -37.0676 -37.0608 -37.0608 -37.0607 -37.0607 -1.8831 -1.8831 1.1605 1.1605 3.2385 3.2385 4.2039 4.2039 7.6791 7.6791 7.7991 7.7991 9.7040 9.7040 10.7028 10.7028 k = 0.5000 0.1650 0.3791 ( 3378 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3522 -37.3522 -37.0675 -37.0675 -37.0674 -37.0674 -37.0610 -37.0610 -37.0609 -37.0609 -1.9073 -1.9073 1.1227 1.1227 3.3546 3.3546 4.2771 4.2771 7.6841 7.6841 7.7390 7.7390 9.5176 9.5176 10.8058 10.8058 k = 0.5000 0.1732 0.3674 ( 3360 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3522 -37.3522 -37.0673 -37.0673 -37.0672 -37.0672 -37.0612 -37.0612 -37.0611 -37.0611 -1.9304 -1.9304 1.0872 1.0872 3.4734 3.4734 4.3469 4.3469 7.6772 7.6772 7.6957 7.6957 9.3369 9.3369 10.8990 10.8990 k = 0.5000 0.1815 0.3558 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3522 -37.3522 -37.0671 -37.0671 -37.0670 -37.0670 -37.0614 -37.0614 -37.0613 -37.0613 -1.9524 -1.9524 1.0539 1.0539 3.5942 3.5942 4.4130 4.4130 7.6151 7.6151 7.7112 7.7112 9.1636 9.1636 10.9765 10.9765 k = 0.5000 0.1897 0.3441 ( 3370 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3522 -37.3522 -37.0670 -37.0670 -37.0668 -37.0668 -37.0616 -37.0616 -37.0615 -37.0615 -1.9732 -1.9732 1.0229 1.0229 3.7167 3.7167 4.4751 4.4751 7.5501 7.5501 7.7325 7.7325 8.9992 8.9992 11.0311 11.0311 k = 0.5000 0.1979 0.3324 ( 3370 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3522 -37.3522 -37.0668 -37.0668 -37.0666 -37.0666 -37.0618 -37.0618 -37.0617 -37.0617 -1.9927 -1.9927 0.9943 0.9943 3.8402 3.8402 4.5328 4.5328 7.4817 7.4817 7.7587 7.7587 8.8457 8.8457 11.0555 11.0555 k = 0.5000 0.2062 0.3208 ( 3368 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0665 -37.0665 -37.0664 -37.0664 -37.0620 -37.0620 -37.0619 -37.0619 -2.0108 -2.0108 0.9681 0.9681 3.9640 3.9640 4.5859 4.5859 7.4091 7.4091 7.7894 7.7894 8.7045 8.7045 11.0461 11.0461 k = 0.5000 0.2144 0.3091 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0663 -37.0663 -37.0662 -37.0662 -37.0622 -37.0622 -37.0621 -37.0621 -2.0274 -2.0274 0.9443 0.9443 4.0872 4.0872 4.6342 4.6342 7.3316 7.3316 7.8238 7.8238 8.5773 8.5773 11.0061 11.0061 k = 0.5000 0.2227 0.2974 ( 3368 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0661 -37.0661 -37.0660 -37.0660 -37.0624 -37.0624 -37.0623 -37.0623 -2.0423 -2.0423 0.9229 0.9229 4.2086 4.2086 4.6775 4.6775 7.2494 7.2494 7.8610 7.8610 8.4651 8.4651 10.9437 10.9437 k = 0.5000 0.2309 0.2858 ( 3370 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0659 -37.0659 -37.0658 -37.0658 -37.0627 -37.0627 -37.0625 -37.0625 -2.0557 -2.0557 0.9040 0.9040 4.3269 4.3269 4.7157 4.7157 7.1632 7.1632 7.8999 7.8999 8.3686 8.3686 10.8686 10.8686 k = 0.5000 0.2392 0.2741 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0657 -37.0657 -37.0655 -37.0655 -37.0629 -37.0629 -37.0628 -37.0628 -2.0674 -2.0674 0.8876 0.8876 4.4402 4.4402 4.7488 4.7488 7.0749 7.0749 7.9390 7.9390 8.2878 8.2878 10.7892 10.7892 k = 0.5000 0.2474 0.2624 ( 3370 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0654 -37.0654 -37.0653 -37.0653 -37.0631 -37.0631 -37.0630 -37.0630 -2.0774 -2.0774 0.8737 0.8737 4.5460 4.5460 4.7768 4.7768 6.9876 6.9876 7.9768 7.9768 8.2219 8.2219 10.7119 10.7119 k = 0.5000 0.2557 0.2508 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0652 -37.0652 -37.0651 -37.0651 -37.0633 -37.0633 -37.0632 -37.0632 -2.0856 -2.0856 0.8623 0.8623 4.6413 4.6413 4.7997 4.7997 6.9054 6.9054 8.0115 8.0115 8.1702 8.1702 10.6420 10.6420 k = 0.5000 0.2639 0.2391 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0650 -37.0650 -37.0648 -37.0648 -37.0636 -37.0636 -37.0634 -37.0634 -2.0920 -2.0920 0.8535 0.8535 4.7220 4.7220 4.8178 4.8178 6.8330 6.8330 8.0410 8.0410 8.1314 8.1314 10.5833 10.5833 k = 0.5000 0.2722 0.2275 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0648 -37.0648 -37.0646 -37.0646 -37.0638 -37.0638 -37.0637 -37.0637 -2.0966 -2.0966 0.8471 0.8471 4.7834 4.7834 4.8317 4.8317 6.7759 6.7759 8.0635 8.0635 8.1047 8.1047 10.5390 10.5390 k = 0.5000 0.2804 0.2158 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0645 -37.0645 -37.0644 -37.0644 -37.0640 -37.0640 -37.0639 -37.0639 -2.0993 -2.0993 0.8433 0.8433 4.8192 4.8192 4.8432 4.8432 6.7390 6.7390 8.0769 8.0769 8.0900 8.0900 10.5114 10.5114 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0643 -37.0643 -37.0642 -37.0642 -37.0642 -37.0642 -37.0641 -37.0641 -2.1002 -2.1002 0.8421 0.8421 4.8286 4.8286 4.8500 4.8500 6.7263 6.7263 8.0791 8.0791 8.0875 8.0875 10.5021 10.5021 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0643 -37.0643 -37.0642 -37.0642 -37.0642 -37.0642 -37.0641 -37.0641 -2.1002 -2.1002 0.8421 0.8421 4.8286 4.8286 4.8500 4.8500 6.7263 6.7263 8.0791 8.0791 8.0875 8.0875 10.5021 10.5021 k = 0.4960 0.2863 0.2173 ( 3354 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0645 -37.0645 -37.0644 -37.0644 -37.0640 -37.0640 -37.0639 -37.0639 -2.0993 -2.0993 0.8433 0.8433 4.8197 4.8197 4.8435 4.8435 6.7385 6.7385 8.0771 8.0771 8.0898 8.0898 10.5110 10.5110 k = 0.4919 0.2840 0.2305 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0647 -37.0647 -37.0646 -37.0646 -37.0638 -37.0638 -37.0637 -37.0637 -2.0967 -2.0967 0.8469 0.8469 4.7855 4.7855 4.8323 4.8323 6.7738 6.7738 8.0646 8.0646 8.1035 8.1035 10.5374 10.5374 k = 0.4879 0.2817 0.2436 ( 3362 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0650 -37.0650 -37.0648 -37.0648 -37.0636 -37.0636 -37.0634 -37.0634 -2.0923 -2.0923 0.8530 0.8530 4.7264 4.7264 4.8192 4.8192 6.8285 6.8285 8.0442 8.0442 8.1279 8.1279 10.5799 10.5799 k = 0.4839 0.2794 0.2568 ( 3366 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0652 -37.0652 -37.0650 -37.0650 -37.0634 -37.0634 -37.0632 -37.0632 -2.0862 -2.0862 0.8615 0.8615 4.6481 4.6481 4.8027 4.8027 6.8975 6.8975 8.0193 8.0193 8.1619 8.1619 10.6363 10.6363 k = 0.4798 0.2770 0.2700 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0654 -37.0654 -37.0653 -37.0653 -37.0631 -37.0631 -37.0630 -37.0630 -2.0784 -2.0784 0.8723 0.8723 4.5551 4.5551 4.7824 4.7824 6.9745 6.9745 7.9940 7.9940 8.2053 8.2053 10.7038 10.7038 k = 0.4758 0.2747 0.2831 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0656 -37.0656 -37.0655 -37.0655 -37.0629 -37.0629 -37.0628 -37.0628 -2.0688 -2.0688 0.8856 0.8856 4.4508 4.4508 4.7585 4.7585 7.0522 7.0522 7.9739 7.9739 8.2575 8.2575 10.7788 10.7788 k = 0.4718 0.2724 0.2963 ( 3369 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0659 -37.0659 -37.0657 -37.0657 -37.0627 -37.0627 -37.0626 -37.0626 -2.0576 -2.0576 0.9013 0.9013 4.3384 4.3384 4.7313 4.7313 7.1219 7.1219 7.9664 7.9664 8.3181 8.3181 10.8566 10.8566 k = 0.4677 0.2701 0.3095 ( 3361 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3521 -37.3521 -37.3521 -37.3521 -37.0661 -37.0661 -37.0659 -37.0659 -37.0625 -37.0625 -37.0623 -37.0623 -2.0448 -2.0448 0.9194 0.9194 4.2199 4.2199 4.7013 4.7013 7.1744 7.1744 7.9800 7.9800 8.3868 8.3868 10.9311 10.9311 k = 0.4637 0.2677 0.3226 ( 3364 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0663 -37.0663 -37.0661 -37.0661 -37.0623 -37.0623 -37.0621 -37.0621 -2.0305 -2.0305 0.9398 0.9398 4.0972 4.0972 4.6689 4.6689 7.2022 7.2022 8.0217 8.0217 8.4632 8.4632 10.9941 10.9941 k = 0.4597 0.2654 0.3358 ( 3363 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0665 -37.0665 -37.0663 -37.0663 -37.0620 -37.0620 -37.0619 -37.0619 -2.0146 -2.0146 0.9626 0.9626 3.9718 3.9718 4.6344 4.6344 7.2036 7.2036 8.0930 8.0930 8.5467 8.5467 11.0351 11.0351 k = 0.4556 0.2631 0.3490 ( 3357 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0667 -37.0667 -37.0665 -37.0665 -37.0618 -37.0618 -37.0617 -37.0617 -1.9973 -1.9973 0.9876 0.9876 3.8447 3.8447 4.5983 4.5983 7.1827 7.1827 8.1896 8.1896 8.6370 8.6370 11.0436 11.0436 k = 0.4516 0.2607 0.3622 ( 3359 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0669 -37.0669 -37.0667 -37.0667 -37.0616 -37.0616 -37.0615 -37.0615 -1.9786 -1.9786 1.0150 1.0150 3.7167 3.7167 4.5610 4.5610 7.1456 7.1456 8.3050 8.3050 8.7337 8.7337 11.0139 11.0139 k = 0.4476 0.2584 0.3753 ( 3361 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3522 -37.3522 -37.3521 -37.3521 -37.0671 -37.0671 -37.0669 -37.0669 -37.0615 -37.0615 -37.0613 -37.0613 -1.9587 -1.9587 1.0446 1.0446 3.5887 3.5887 4.5227 4.5227 7.0981 7.0981 8.4334 8.4334 8.8364 8.8364 10.9494 10.9494 k = 0.4435 0.2561 0.3885 ( 3363 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3521 -37.3521 -37.0673 -37.0673 -37.0671 -37.0671 -37.0613 -37.0613 -37.0611 -37.0611 -1.9375 -1.9375 1.0764 1.0764 3.4612 3.4612 4.4839 4.4839 7.0443 7.0443 8.5704 8.5704 8.9448 8.9448 10.8590 10.8590 k = 0.4395 0.2538 0.4017 ( 3361 PWs) bands (ev): -70.4114 -70.4114 -70.4114 -70.4114 -37.3523 -37.3523 -37.3521 -37.3521 -37.0675 -37.0675 -37.0672 -37.0672 -37.0611 -37.0611 -37.0609 -37.0609 -1.9153 -1.9153 1.1103 1.1103 3.3348 3.3348 4.4448 4.4448 6.9868 6.9868 8.7127 8.7127 9.0587 9.0587 10.7525 10.7525 k = 0.4355 0.2514 0.4148 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3523 -37.3523 -37.3521 -37.3521 -37.0677 -37.0677 -37.0674 -37.0674 -37.0609 -37.0609 -37.0607 -37.0607 -1.8922 -1.8922 1.1463 1.1463 3.2101 3.2101 4.4057 4.4057 6.9275 6.9275 8.8575 8.8575 9.1776 9.1776 10.6376 10.6376 k = 0.4315 0.2491 0.4280 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3523 -37.3523 -37.3521 -37.3521 -37.0679 -37.0679 -37.0675 -37.0675 -37.0608 -37.0608 -37.0605 -37.0605 -1.8682 -1.8682 1.1843 1.1843 3.0875 3.0875 4.3668 4.3668 6.8677 6.8677 9.0018 9.0018 9.3014 9.3014 10.5206 10.5206 k = 0.4274 0.2468 0.4412 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3524 -37.3524 -37.3520 -37.3520 -37.0681 -37.0681 -37.0677 -37.0677 -37.0606 -37.0606 -37.0603 -37.0603 -1.8436 -1.8436 1.2241 1.2241 2.9675 2.9675 4.3284 4.3284 6.8083 6.8083 9.1415 9.1415 9.4298 9.4298 10.4076 10.4076 k = 0.4234 0.2444 0.4543 ( 3358 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3524 -37.3524 -37.3520 -37.3520 -37.0683 -37.0683 -37.0678 -37.0678 -37.0605 -37.0605 -37.0601 -37.0601 -1.8186 -1.8186 1.2656 1.2656 2.8506 2.8506 4.2906 4.2906 6.7499 6.7499 9.2699 9.2699 9.5627 9.5627 10.3067 10.3067 k = 0.4194 0.2421 0.4675 ( 3360 PWs) bands (ev): -70.4114 -70.4114 -70.4113 -70.4113 -37.3525 -37.3525 -37.3520 -37.3520 -37.0685 -37.0685 -37.0679 -37.0679 -37.0604 -37.0604 -37.0599 -37.0599 -1.7932 -1.7932 1.3087 1.3087 2.7374 2.7374 4.2536 4.2536 6.6930 6.6930 9.3746 9.3746 9.6997 9.6997 10.2311 10.2311 k = 0.4153 0.2398 0.4807 ( 3358 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3525 -37.3525 -37.3520 -37.3520 -37.0687 -37.0687 -37.0680 -37.0680 -37.0603 -37.0603 -37.0597 -37.0597 -1.7679 -1.7679 1.3529 1.3529 2.6285 2.6285 4.2176 4.2176 6.6380 6.6380 9.4359 9.4359 9.8407 9.8407 10.2009 10.2009 k = 0.4113 0.2375 0.4938 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3526 -37.3526 -37.3519 -37.3519 -37.0688 -37.0688 -37.0681 -37.0681 -37.0602 -37.0602 -37.0596 -37.0596 -1.7427 -1.7427 1.3979 1.3979 2.5246 2.5246 4.1827 4.1827 6.5851 6.5851 9.4370 9.4370 9.9856 9.9856 10.2332 10.2332 k = 0.4073 0.2351 0.5070 ( 3364 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3526 -37.3526 -37.3519 -37.3519 -37.0690 -37.0690 -37.0682 -37.0682 -37.0601 -37.0601 -37.0594 -37.0594 -1.7180 -1.7180 1.4430 1.4430 2.4268 2.4268 4.1490 4.1490 6.5346 6.5346 9.3838 9.3838 10.1341 10.1341 10.3224 10.3224 k = 0.4032 0.2328 0.5202 ( 3362 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3519 -37.3519 -37.0692 -37.0692 -37.0682 -37.0682 -37.0600 -37.0600 -37.0592 -37.0592 -1.6941 -1.6941 1.4873 1.4873 2.3364 2.3364 4.1167 4.1167 6.4866 6.4866 9.2966 9.2966 10.2860 10.2860 10.4482 10.4482 k = 0.3992 0.2305 0.5334 ( 3362 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3527 -37.3527 -37.3518 -37.3518 -37.0694 -37.0694 -37.0683 -37.0683 -37.0599 -37.0599 -37.0591 -37.0591 -1.6713 -1.6713 1.5292 1.5292 2.2553 2.2553 4.0859 4.0859 6.4413 6.4413 9.1916 9.1916 10.4411 10.4411 10.5944 10.5944 k = 0.3952 0.2281 0.5465 ( 3360 PWs) bands (ev): -70.4115 -70.4115 -70.4113 -70.4113 -37.3528 -37.3528 -37.3518 -37.3518 -37.0695 -37.0695 -37.0683 -37.0683 -37.0599 -37.0599 -37.0589 -37.0589 -1.6499 -1.6499 1.5662 1.5662 2.1864 2.1864 4.0565 4.0565 6.3989 6.3989 9.0776 9.0776 10.5989 10.5989 10.7518 10.7518 k = 0.3911 0.2258 0.5597 ( 3356 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3517 -37.3517 -37.0697 -37.0697 -37.0683 -37.0683 -37.0598 -37.0598 -37.0587 -37.0587 -1.6304 -1.6304 1.5946 1.5946 2.1337 2.1337 4.0288 4.0288 6.3594 6.3594 8.9594 8.9594 10.7590 10.7590 10.9155 10.9155 k = 0.3871 0.2235 0.5729 ( 3352 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3529 -37.3529 -37.3516 -37.3516 -37.0698 -37.0698 -37.0684 -37.0684 -37.0598 -37.0598 -37.0586 -37.0586 -1.6131 -1.6131 1.6102 1.6102 2.1020 2.1020 4.0028 4.0028 6.3228 6.3228 8.8394 8.8394 10.9201 10.9201 11.0819 11.0819 k = 0.3831 0.2212 0.5860 ( 3350 PWs) bands (ev): -70.4115 -70.4115 -70.4112 -70.4112 -37.3530 -37.3530 -37.3516 -37.3516 -37.0700 -37.0700 -37.0683 -37.0683 -37.0598 -37.0598 -37.0584 -37.0584 -1.5984 -1.5984 1.6100 1.6100 2.0945 2.0945 3.9785 3.9785 6.2894 6.2894 8.7192 8.7192 11.0792 11.0792 11.2468 11.2468 k = 0.3790 0.2188 0.5992 ( 3354 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3531 -37.3531 -37.3515 -37.3515 -37.0701 -37.0701 -37.0683 -37.0683 -37.0598 -37.0598 -37.0583 -37.0583 -1.5868 -1.5868 1.5953 1.5953 2.1105 2.1105 3.9559 3.9559 6.2590 6.2590 8.5997 8.5997 11.2273 11.2273 11.4012 11.4012 k = 0.3750 0.2165 0.6124 ( 3352 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0581 -37.0581 -1.5786 -1.5786 1.5713 1.5713 2.1450 2.1450 3.9353 3.9353 6.2319 6.2319 8.4815 8.4815 11.3344 11.3344 11.5143 11.5143 k = 0.6250-0.0722 0.4082 ( 3352 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3532 -37.3532 -37.3514 -37.3514 -37.0702 -37.0702 -37.0683 -37.0683 -37.0598 -37.0598 -37.0581 -37.0581 -1.5786 -1.5786 1.5713 1.5713 2.1450 2.1450 3.9353 3.9353 6.2319 6.2319 8.4815 8.4815 11.3344 11.3344 11.5143 11.5143 k = 0.6181-0.0842 0.4082 ( 3360 PWs) bands (ev): -70.4116 -70.4116 -70.4112 -70.4112 -37.3533 -37.3533 -37.3513 -37.3513 -37.0705 -37.0705 -37.0683 -37.0683 -37.0599 -37.0599 -37.0579 -37.0579 -1.5689 -1.5689 1.5265 1.5265 2.2203 2.2203 3.9021 3.9021 6.1891 6.1891 8.2798 8.2798 11.4567 11.4567 11.6419 11.6419 k = 0.6111-0.0962 0.4082 ( 3354 PWs) bands (ev): -70.4116 -70.4116 -70.4111 -70.4111 -37.3534 -37.3534 -37.3512 -37.3512 -37.0707 -37.0707 -37.0682 -37.0682 -37.0599 -37.0599 -37.0577 -37.0577 -1.5613 -1.5613 1.4841 1.4841 2.3013 2.3013 3.8706 3.8706 6.1485 6.1485 8.0796 8.0796 11.5813 11.5813 11.7712 11.7712 k = 0.6042-0.1083 0.4082 ( 3364 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3536 -37.3536 -37.3511 -37.3511 -37.0709 -37.0709 -37.0682 -37.0682 -37.0600 -37.0600 -37.0575 -37.0575 -1.5555 -1.5555 1.4443 1.4443 2.3875 2.3875 3.8408 3.8408 6.1101 6.1101 7.8817 7.8817 11.7081 11.7081 11.9021 11.9021 k = 0.5972-0.1203 0.4082 ( 3364 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3537 -37.3537 -37.3510 -37.3510 -37.0711 -37.0711 -37.0682 -37.0682 -37.0600 -37.0600 -37.0573 -37.0573 -1.5514 -1.5514 1.4069 1.4069 2.4783 2.4783 3.8128 3.8128 6.0741 6.0741 7.6868 7.6868 11.8367 11.8367 12.0344 12.0344 k = 0.5903-0.1323 0.4082 ( 3364 PWs) bands (ev): -70.4117 -70.4117 -70.4111 -70.4111 -37.3538 -37.3538 -37.3509 -37.3509 -37.0713 -37.0713 -37.0681 -37.0681 -37.0600 -37.0600 -37.0571 -37.0571 -1.5487 -1.5487 1.3721 1.3721 2.5732 2.5732 3.7866 3.7866 6.0404 6.0404 7.4955 7.4955 11.9670 11.9670 12.1682 12.1682 k = 0.5833-0.1443 0.4082 ( 3358 PWs) bands (ev): -70.4117 -70.4117 -70.4110 -70.4110 -37.3539 -37.3539 -37.3508 -37.3508 -37.0714 -37.0714 -37.0681 -37.0681 -37.0600 -37.0600 -37.0570 -37.0570 -1.5471 -1.5471 1.3398 1.3398 2.6716 2.6716 3.7622 3.7622 6.0089 6.0089 7.3084 7.3084 12.0986 12.0986 12.3034 12.3034 k = 0.5764-0.1564 0.4082 ( 3346 PWs) bands (ev): -70.4117 -70.4117 -70.4110 -70.4110 -37.3540 -37.3540 -37.3507 -37.3507 -37.0716 -37.0716 -37.0680 -37.0680 -37.0600 -37.0600 -37.0568 -37.0568 -1.5465 -1.5465 1.3100 1.3100 2.7726 2.7726 3.7397 3.7397 5.9798 5.9798 7.1264 7.1264 12.2312 12.2312 12.4398 12.4398 k = 0.5694-0.1684 0.4082 ( 3346 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3541 -37.3541 -37.3506 -37.3506 -37.0717 -37.0717 -37.0680 -37.0680 -37.0601 -37.0601 -37.0566 -37.0566 -1.5466 -1.5466 1.2828 1.2828 2.8754 2.8754 3.7191 3.7191 5.9529 5.9529 6.9503 6.9503 12.3642 12.3642 12.5772 12.5772 k = 0.5625-0.1804 0.4082 ( 3354 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3541 -37.3541 -37.3505 -37.3505 -37.0719 -37.0719 -37.0680 -37.0680 -37.0601 -37.0601 -37.0565 -37.0565 -1.5473 -1.5473 1.2581 1.2581 2.9789 2.9789 3.7003 3.7003 5.9282 5.9282 6.7810 6.7810 12.4970 12.4970 12.7155 12.7155 k = 0.5556-0.1925 0.4082 ( 3366 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3542 -37.3542 -37.3505 -37.3505 -37.0720 -37.0720 -37.0680 -37.0680 -37.0601 -37.0601 -37.0564 -37.0564 -1.5483 -1.5483 1.2360 1.2360 3.0820 3.0820 3.6835 3.6835 5.9056 5.9056 6.6199 6.6199 12.6287 12.6287 12.8537 12.8537 k = 0.5486-0.2045 0.4082 ( 3354 PWs) bands (ev): -70.4118 -70.4118 -70.4110 -70.4110 -37.3543 -37.3543 -37.3504 -37.3504 -37.0721 -37.0721 -37.0679 -37.0679 -37.0601 -37.0601 -37.0563 -37.0563 -1.5496 -1.5496 1.2165 1.2165 3.1830 3.1830 3.6686 3.6686 5.8849 5.8849 6.4687 6.4687 12.7582 12.7582 12.9680 12.9680 k = 0.5417-0.2165 0.4082 ( 3350 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3543 -37.3543 -37.3504 -37.3504 -37.0722 -37.0722 -37.0679 -37.0679 -37.0601 -37.0601 -37.0562 -37.0562 -1.5510 -1.5510 1.1996 1.1996 3.2801 3.2801 3.6557 3.6557 5.8657 5.8657 6.3294 6.3294 12.8838 12.8838 13.0601 13.0601 k = 0.5347-0.2285 0.4082 ( 3350 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3544 -37.3544 -37.3503 -37.3503 -37.0722 -37.0722 -37.0679 -37.0679 -37.0602 -37.0602 -37.0561 -37.0561 -1.5523 -1.5523 1.1853 1.1853 3.3709 3.3709 3.6447 3.6447 5.8475 5.8475 6.2050 6.2050 13.0033 13.0033 13.1428 13.1428 k = 0.5278-0.2406 0.4082 ( 3350 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3544 -37.3544 -37.3503 -37.3503 -37.0723 -37.0723 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5536 -1.5536 1.1736 1.1736 3.4525 3.4525 3.6358 3.6358 5.8293 5.8293 6.0994 6.0994 13.1133 13.1133 13.2148 13.2148 k = 0.5208-0.2526 0.4082 ( 3350 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5546 -1.5546 1.1644 1.1644 3.5216 3.5216 3.6288 3.6288 5.8097 5.8097 6.0170 6.0170 13.2093 13.2093 13.2740 13.2740 k = 0.5139-0.2646 0.4082 ( 3354 PWs) bands (ev): -70.4118 -70.4118 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5554 -1.5554 1.1579 1.1579 3.5745 3.5745 3.6239 3.6239 5.7888 5.7888 5.9615 5.9615 13.2852 13.2852 13.3185 13.3185 k = 0.5069-0.2766 0.4082 ( 3358 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3545 -37.3545 -37.3502 -37.3502 -37.0724 -37.0724 -37.0678 -37.0678 -37.0602 -37.0602 -37.0560 -37.0560 -1.5559 -1.5559 1.1540 1.1540 3.6074 3.6074 3.6215 3.6215 5.7711 5.7711 5.9316 5.9316 13.3329 13.3329 13.3478 13.3479 k = 0.5000-0.2887 0.4082 ( 3338 PWs) bands (ev): -70.4119 -70.4119 -70.4109 -70.4109 -37.3544 -37.3544 -37.3502 -37.3502 -37.0723 -37.0723 -37.0678 -37.0678 -37.0601 -37.0601 -37.0560 -37.0560 -1.5561 -1.5561 1.1527 1.1527 3.6165 3.6165 3.6230 3.6230 5.7641 5.7641 5.9225 5.9225 13.3475 13.3475 13.3601 13.3601 Writing output data file Mg2Si.save init_run : 0.16s CPU 0.28s WALL ( 1 calls) electrons : 62.37s CPU 63.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 62.37s CPU 63.46s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 332 calls) cegterg : 56.60s CPU 57.25s WALL ( 344 calls) Called by sum_band: Called by *egterg: h_psi : 37.00s CPU 37.72s WALL ( 5256 calls) s_psi : 0.72s CPU 0.71s WALL ( 5256 calls) g_psi : 0.06s CPU 0.08s WALL ( 4580 calls) cdiaghg : 19.78s CPU 19.98s WALL ( 4912 calls) cegterg:over : 1.56s CPU 1.52s WALL ( 4580 calls) cegterg:upda : 1.28s CPU 1.19s WALL ( 4580 calls) cegterg:last : 0.55s CPU 0.62s WALL ( 787 calls) cdiaghg:chol : 1.08s CPU 1.03s WALL ( 4912 calls) cdiaghg:inve : 0.59s CPU 0.57s WALL ( 4912 calls) cdiaghg:para : 1.11s CPU 1.10s WALL ( 9824 calls) Called by h_psi: h_psi:vloc : 35.26s CPU 35.93s WALL ( 5256 calls) h_psi:vnl : 1.69s CPU 1.74s WALL ( 5256 calls) add_vuspsi : 0.83s CPU 0.88s WALL ( 5256 calls) General routines calbec : 0.86s CPU 0.85s WALL ( 5256 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 33.14s CPU 33.89s WALL ( 340204 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.12s WALL ( 664 calls) Parallel routines fft_scatter : 10.26s CPU 10.51s WALL ( 340227 calls) PWSCF : 1m11.98s CPU 1m21.70s WALL This run was terminated on: 20:43:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=