Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:58:15 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: ./GaN.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 10 3 333 133 23 Max 20 11 4 337 139 26 Sum 685 379 121 12039 4909 893 bravais-lattice index = 14 lattice parameter (alat) = 5.5988 a.u. unit-cell volume = 124.1019 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.598837 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 N 5.00 14.00670 N( 1.00) Ga 13.00 69.72300 Ga( 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= 495 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 2) = ( 0.0066667 -0.0038490 0.0054433), wk = 0.0020202 k( 3) = ( 0.0133333 -0.0076980 0.0108866), wk = 0.0020202 k( 4) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0020202 k( 5) = ( 0.0266667 -0.0153960 0.0217732), wk = 0.0020202 k( 6) = ( 0.0333333 -0.0192450 0.0272165), wk = 0.0020202 k( 7) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0020202 k( 8) = ( 0.0466667 -0.0269430 0.0381032), wk = 0.0020202 k( 9) = ( 0.0533333 -0.0307920 0.0435465), wk = 0.0020202 k( 10) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0020202 k( 11) = ( 0.0666667 -0.0384900 0.0544331), wk = 0.0020202 k( 12) = ( 0.0733333 -0.0423390 0.0598764), wk = 0.0020202 k( 13) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0020202 k( 14) = ( 0.0866667 -0.0500370 0.0707630), wk = 0.0020202 k( 15) = ( 0.0933333 -0.0538860 0.0762063), wk = 0.0020202 k( 16) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0020202 k( 17) = ( 0.1066667 -0.0615840 0.0870930), wk = 0.0020202 k( 18) = ( 0.1133333 -0.0654330 0.0925363), wk = 0.0020202 k( 19) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0020202 k( 20) = ( 0.1266667 -0.0731310 0.1034229), wk = 0.0020202 k( 21) = ( 0.1333333 -0.0769800 0.1088662), wk = 0.0020202 k( 22) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0020202 k( 23) = ( 0.1466667 -0.0846780 0.1197528), wk = 0.0020202 k( 24) = ( 0.1533333 -0.0885270 0.1251961), wk = 0.0020202 k( 25) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0020202 k( 26) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0020202 k( 27) = ( 0.1733333 -0.1000740 0.1415261), wk = 0.0020202 k( 28) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0020202 k( 29) = ( 0.1866667 -0.1077721 0.1524127), wk = 0.0020202 k( 30) = ( 0.1933333 -0.1116211 0.1578560), wk = 0.0020202 k( 31) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0020202 k( 32) = ( 0.2066667 -0.1193191 0.1687426), wk = 0.0020202 k( 33) = ( 0.2133333 -0.1231681 0.1741859), wk = 0.0020202 k( 34) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0020202 k( 35) = ( 0.2266667 -0.1308661 0.1850726), wk = 0.0020202 k( 36) = ( 0.2333333 -0.1347151 0.1905159), wk = 0.0020202 k( 37) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0020202 k( 38) = ( 0.2466667 -0.1424131 0.2014025), wk = 0.0020202 k( 39) = ( 0.2533333 -0.1462621 0.2068458), wk = 0.0020202 k( 40) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0020202 k( 41) = ( 0.2666667 -0.1539601 0.2177324), wk = 0.0020202 k( 42) = ( 0.2733333 -0.1578091 0.2231757), wk = 0.0020202 k( 43) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0020202 k( 44) = ( 0.2866667 -0.1655071 0.2340624), wk = 0.0020202 k( 45) = ( 0.2933333 -0.1693561 0.2395057), wk = 0.0020202 k( 46) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0020202 k( 47) = ( 0.3066667 -0.1770541 0.2503923), wk = 0.0020202 k( 48) = ( 0.3133333 -0.1809031 0.2558356), wk = 0.0020202 k( 49) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0020202 k( 50) = ( 0.3266667 -0.1886011 0.2667222), wk = 0.0020202 k( 51) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0020202 k( 52) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0020202 k( 53) = ( 0.3466667 -0.2001481 0.2830522), wk = 0.0020202 k( 54) = ( 0.3533333 -0.2039971 0.2884955), wk = 0.0020202 k( 55) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0020202 k( 56) = ( 0.3666667 -0.2116951 0.2993821), wk = 0.0020202 k( 57) = ( 0.3733333 -0.2155441 0.3048254), wk = 0.0020202 k( 58) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0020202 k( 59) = ( 0.3866667 -0.2232421 0.3157120), wk = 0.0020202 k( 60) = ( 0.3933333 -0.2270911 0.3211553), wk = 0.0020202 k( 61) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0020202 k( 62) = ( 0.4066667 -0.2347891 0.3320419), wk = 0.0020202 k( 63) = ( 0.4133333 -0.2386381 0.3374853), wk = 0.0020202 k( 64) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0020202 k( 65) = ( 0.4266667 -0.2463361 0.3483719), wk = 0.0020202 k( 66) = ( 0.4333333 -0.2501851 0.3538152), wk = 0.0020202 k( 67) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0020202 k( 68) = ( 0.4466667 -0.2578831 0.3647018), wk = 0.0020202 k( 69) = ( 0.4533333 -0.2617321 0.3701451), wk = 0.0020202 k( 70) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0020202 k( 71) = ( 0.4666667 -0.2694301 0.3810317), wk = 0.0020202 k( 72) = ( 0.4733333 -0.2732791 0.3864750), wk = 0.0020202 k( 73) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0020202 k( 74) = ( 0.4866667 -0.2809771 0.3973617), wk = 0.0020202 k( 75) = ( 0.4933333 -0.2848261 0.4028050), wk = 0.0020202 k( 76) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020202 k( 77) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020202 k( 78) = ( 0.5000000 -0.2810784 0.4136200), wk = 0.0020202 k( 79) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0020202 k( 80) = ( 0.5000000 -0.2658850 0.4243634), wk = 0.0020202 k( 81) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0020202 k( 82) = ( 0.5000000 -0.2506916 0.4351067), wk = 0.0020202 k( 83) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0020202 k( 84) = ( 0.5000000 -0.2354981 0.4458501), wk = 0.0020202 k( 85) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0020202 k( 86) = ( 0.5000000 -0.2203047 0.4565935), wk = 0.0020202 k( 87) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0020202 k( 88) = ( 0.5000000 -0.2051113 0.4673369), wk = 0.0020202 k( 89) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0020202 k( 90) = ( 0.5000000 -0.1899178 0.4780802), wk = 0.0020202 k( 91) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0020202 k( 92) = ( 0.5000000 -0.1747244 0.4888236), wk = 0.0020202 k( 93) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0020202 k( 94) = ( 0.5000000 -0.1595310 0.4995670), wk = 0.0020202 k( 95) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0020202 k( 96) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020202 k( 97) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0020202 k( 98) = ( 0.5000000 -0.1291441 0.5210537), wk = 0.0020202 k( 99) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0020202 k( 100) = ( 0.5000000 -0.1139507 0.5317971), wk = 0.0020202 k( 101) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0020202 k( 102) = ( 0.5000000 -0.0987573 0.5425405), wk = 0.0020202 k( 103) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0020202 k( 104) = ( 0.5000000 -0.0835639 0.5532839), wk = 0.0020202 k( 105) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0020202 k( 106) = ( 0.5000000 -0.0683704 0.5640272), wk = 0.0020202 k( 107) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0020202 k( 108) = ( 0.5000000 -0.0531770 0.5747706), wk = 0.0020202 k( 109) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0020202 k( 110) = ( 0.5000000 -0.0379836 0.5855140), wk = 0.0020202 k( 111) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0020202 k( 112) = ( 0.5000000 -0.0227901 0.5962574), wk = 0.0020202 k( 113) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0020202 k( 114) = ( 0.5000000 -0.0075967 0.6070007), wk = 0.0020202 k( 115) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020202 k( 116) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020202 k( 117) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020202 k( 118) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020202 k( 119) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020202 k( 120) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020202 k( 121) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020202 k( 122) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020202 k( 123) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020202 k( 124) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020202 k( 125) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020202 k( 126) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020202 k( 127) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020202 k( 128) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020202 k( 129) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020202 k( 130) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020202 k( 131) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020202 k( 132) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020202 k( 133) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020202 k( 134) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020202 k( 135) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020202 k( 136) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020202 k( 137) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020202 k( 138) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020202 k( 139) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020202 k( 140) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020202 k( 141) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020202 k( 142) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020202 k( 143) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020202 k( 144) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020202 k( 145) = ( 0.3703125 0.2138000 0.6047178), wk = 0.0020202 k( 146) = ( 0.3656250 0.2110937 0.5970631), wk = 0.0020202 k( 147) = ( 0.3609375 0.2083874 0.5894085), wk = 0.0020202 k( 148) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0020202 k( 149) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0020202 k( 150) = ( 0.3468750 0.2002684 0.5664445), wk = 0.0020202 k( 151) = ( 0.3421875 0.1975620 0.5587898), wk = 0.0020202 k( 152) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0020202 k( 153) = ( 0.3328125 0.1921494 0.5434805), wk = 0.0020202 k( 154) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0020202 k( 155) = ( 0.3234375 0.1867367 0.5281712), wk = 0.0020202 k( 156) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0020202 k( 157) = ( 0.3140625 0.1813241 0.5128619), wk = 0.0020202 k( 158) = ( 0.3093750 0.1786177 0.5052073), wk = 0.0020202 k( 159) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0020202 k( 160) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0020202 k( 161) = ( 0.2953125 0.1704988 0.4822433), wk = 0.0020202 k( 162) = ( 0.2906250 0.1677924 0.4745886), wk = 0.0020202 k( 163) = ( 0.2859375 0.1650861 0.4669340), wk = 0.0020202 k( 164) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0020202 k( 165) = ( 0.2765625 0.1596734 0.4516247), wk = 0.0020202 k( 166) = ( 0.2718750 0.1569671 0.4439700), wk = 0.0020202 k( 167) = ( 0.2671875 0.1542608 0.4363154), wk = 0.0020202 k( 168) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0020202 k( 169) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0020202 k( 170) = ( 0.2531250 0.1461418 0.4133514), wk = 0.0020202 k( 171) = ( 0.2484375 0.1434355 0.4056967), wk = 0.0020202 k( 172) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0020202 k( 173) = ( 0.2390625 0.1380228 0.3903874), wk = 0.0020202 k( 174) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0020202 k( 175) = ( 0.2296875 0.1326101 0.3750781), wk = 0.0020202 k( 176) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0020202 k( 177) = ( 0.2203125 0.1271975 0.3597688), wk = 0.0020202 k( 178) = ( 0.2156250 0.1244912 0.3521142), wk = 0.0020202 k( 179) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0020202 k( 180) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0020202 k( 181) = ( 0.2015625 0.1163722 0.3291502), wk = 0.0020202 k( 182) = ( 0.1968750 0.1136658 0.3214955), wk = 0.0020202 k( 183) = ( 0.1921875 0.1109595 0.3138409), wk = 0.0020202 k( 184) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020202 k( 185) = ( 0.1828125 0.1055468 0.2985316), wk = 0.0020202 k( 186) = ( 0.1781250 0.1028405 0.2908769), wk = 0.0020202 k( 187) = ( 0.1734375 0.1001342 0.2832223), wk = 0.0020202 k( 188) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0020202 k( 189) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0020202 k( 190) = ( 0.1593750 0.0920152 0.2602583), wk = 0.0020202 k( 191) = ( 0.1546875 0.0893089 0.2526036), wk = 0.0020202 k( 192) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0020202 k( 193) = ( 0.1453125 0.0838962 0.2372943), wk = 0.0020202 k( 194) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0020202 k( 195) = ( 0.1359375 0.0784836 0.2219850), wk = 0.0020202 k( 196) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0020202 k( 197) = ( 0.1265625 0.0730709 0.2066757), wk = 0.0020202 k( 198) = ( 0.1218750 0.0703646 0.1990210), wk = 0.0020202 k( 199) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0020202 k( 200) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0020202 k( 201) = ( 0.1078125 0.0622456 0.1760571), wk = 0.0020202 k( 202) = ( 0.1031250 0.0595392 0.1684024), wk = 0.0020202 k( 203) = ( 0.0984375 0.0568329 0.1607478), wk = 0.0020202 k( 204) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0020202 k( 205) = ( 0.0890625 0.0514203 0.1454385), wk = 0.0020202 k( 206) = ( 0.0843750 0.0487139 0.1377838), wk = 0.0020202 k( 207) = ( 0.0796875 0.0460076 0.1301291), wk = 0.0020202 k( 208) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0020202 k( 209) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0020202 k( 210) = ( 0.0656250 0.0378886 0.1071652), wk = 0.0020202 k( 211) = ( 0.0609375 0.0351823 0.0995105), wk = 0.0020202 k( 212) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0020202 k( 213) = ( 0.0515625 0.0297696 0.0842012), wk = 0.0020202 k( 214) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0020202 k( 215) = ( 0.0421875 0.0243570 0.0688919), wk = 0.0020202 k( 216) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0020202 k( 217) = ( 0.0328125 0.0189443 0.0535826), wk = 0.0020202 k( 218) = ( 0.0281250 0.0162380 0.0459279), wk = 0.0020202 k( 219) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0020202 k( 220) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0020202 k( 221) = ( 0.0140625 0.0081190 0.0229640), wk = 0.0020202 k( 222) = ( 0.0093750 0.0054127 0.0153093), wk = 0.0020202 k( 223) = ( 0.0046875 0.0027063 0.0076547), wk = 0.0020202 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 226) = ( 0.0076923 0.0044412 0.0031404), wk = 0.0020202 k( 227) = ( 0.0153846 0.0088823 0.0062807), wk = 0.0020202 k( 228) = ( 0.0230769 0.0133235 0.0094211), wk = 0.0020202 k( 229) = ( 0.0307692 0.0177646 0.0125615), wk = 0.0020202 k( 230) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0020202 k( 231) = ( 0.0461539 0.0266469 0.0188422), wk = 0.0020202 k( 232) = ( 0.0538462 0.0310881 0.0219826), wk = 0.0020202 k( 233) = ( 0.0615385 0.0355292 0.0251230), wk = 0.0020202 k( 234) = ( 0.0692308 0.0399704 0.0282633), wk = 0.0020202 k( 235) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0020202 k( 236) = ( 0.0846154 0.0488527 0.0345441), wk = 0.0020202 k( 237) = ( 0.0923077 0.0532939 0.0376845), wk = 0.0020202 k( 238) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0020202 k( 239) = ( 0.1076923 0.0621762 0.0439652), wk = 0.0020202 k( 240) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0020202 k( 241) = ( 0.1230769 0.0710585 0.0502459), wk = 0.0020202 k( 242) = ( 0.1307692 0.0754997 0.0533863), wk = 0.0020202 k( 243) = ( 0.1384615 0.0799408 0.0565267), wk = 0.0020202 k( 244) = ( 0.1461539 0.0843820 0.0596671), wk = 0.0020202 k( 245) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0020202 k( 246) = ( 0.1615385 0.0932643 0.0659478), wk = 0.0020202 k( 247) = ( 0.1692308 0.0977054 0.0690882), wk = 0.0020202 k( 248) = ( 0.1769231 0.1021466 0.0722285), wk = 0.0020202 k( 249) = ( 0.1846154 0.1065877 0.0753689), wk = 0.0020202 k( 250) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0020202 k( 251) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0020202 k( 252) = ( 0.2076923 0.1199112 0.0847900), wk = 0.0020202 k( 253) = ( 0.2153846 0.1243524 0.0879304), wk = 0.0020202 k( 254) = ( 0.2230769 0.1287935 0.0910708), wk = 0.0020202 k( 255) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0020202 k( 256) = ( 0.2384615 0.1376758 0.0973515), wk = 0.0020202 k( 257) = ( 0.2461539 0.1421170 0.1004919), wk = 0.0020202 k( 258) = ( 0.2538461 0.1465581 0.1036323), wk = 0.0020202 k( 259) = ( 0.2615385 0.1509993 0.1067726), wk = 0.0020202 k( 260) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0020202 k( 261) = ( 0.2769231 0.1598816 0.1130534), wk = 0.0020202 k( 262) = ( 0.2846154 0.1643228 0.1161937), wk = 0.0020202 k( 263) = ( 0.2923077 0.1687639 0.1193341), wk = 0.0020202 k( 264) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0020202 k( 265) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0020202 k( 266) = ( 0.3153846 0.1820874 0.1287552), wk = 0.0020202 k( 267) = ( 0.3230769 0.1865285 0.1318956), wk = 0.0020202 k( 268) = ( 0.3307692 0.1909697 0.1350360), wk = 0.0020202 k( 269) = ( 0.3384615 0.1954109 0.1381763), wk = 0.0020202 k( 270) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0020202 k( 271) = ( 0.3538462 0.2042932 0.1444571), wk = 0.0020202 k( 272) = ( 0.3615385 0.2087343 0.1475975), wk = 0.0020202 k( 273) = ( 0.3692308 0.2131755 0.1507378), wk = 0.0020202 k( 274) = ( 0.3769231 0.2176166 0.1538782), wk = 0.0020202 k( 275) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0020202 k( 276) = ( 0.3923077 0.2264990 0.1601589), wk = 0.0020202 k( 277) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0020202 k( 278) = ( 0.4076923 0.2353813 0.1664397), wk = 0.0020202 k( 279) = ( 0.4153846 0.2398224 0.1695801), wk = 0.0020202 k( 280) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0020202 k( 281) = ( 0.4307692 0.2487047 0.1758608), wk = 0.0020202 k( 282) = ( 0.4384615 0.2531459 0.1790012), wk = 0.0020202 k( 283) = ( 0.4461539 0.2575870 0.1821415), wk = 0.0020202 k( 284) = ( 0.4538462 0.2620282 0.1852819), wk = 0.0020202 k( 285) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0020202 k( 286) = ( 0.4692308 0.2709105 0.1915627), wk = 0.0020202 k( 287) = ( 0.4769231 0.2753517 0.1947030), wk = 0.0020202 k( 288) = ( 0.4846154 0.2797928 0.1978434), wk = 0.0020202 k( 289) = ( 0.4923077 0.2842340 0.2009838), wk = 0.0020202 k( 290) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020202 k( 291) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020202 k( 292) = ( 0.5027174 0.2808307 0.2085616), wk = 0.0020202 k( 293) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0020202 k( 294) = ( 0.5081522 0.2651418 0.2174366), wk = 0.0020202 k( 295) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0020202 k( 296) = ( 0.5135870 0.2494530 0.2263116), wk = 0.0020202 k( 297) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0020202 k( 298) = ( 0.5190217 0.2337641 0.2351865), wk = 0.0020202 k( 299) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0020202 k( 300) = ( 0.5244565 0.2180752 0.2440615), wk = 0.0020202 k( 301) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0020202 k( 302) = ( 0.5298913 0.2023864 0.2529364), wk = 0.0020202 k( 303) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0020202 k( 304) = ( 0.5353261 0.1866975 0.2618114), wk = 0.0020202 k( 305) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0020202 k( 306) = ( 0.5407609 0.1710086 0.2706864), wk = 0.0020202 k( 307) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0020202 k( 308) = ( 0.5461957 0.1553198 0.2795613), wk = 0.0020202 k( 309) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0020202 k( 310) = ( 0.5516304 0.1396309 0.2884363), wk = 0.0020202 k( 311) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0020202 k( 312) = ( 0.5570652 0.1239420 0.2973113), wk = 0.0020202 k( 313) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0020202 k( 314) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0020202 k( 315) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0020202 k( 316) = ( 0.5679348 0.0925643 0.3150612), wk = 0.0020202 k( 317) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0020202 k( 318) = ( 0.5733696 0.0768754 0.3239361), wk = 0.0020202 k( 319) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0020202 k( 320) = ( 0.5788043 0.0611866 0.3328111), wk = 0.0020202 k( 321) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0020202 k( 322) = ( 0.5842391 0.0454977 0.3416861), wk = 0.0020202 k( 323) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0020202 k( 324) = ( 0.5896739 0.0298088 0.3505610), wk = 0.0020202 k( 325) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0020202 k( 326) = ( 0.5951087 0.0141200 0.3594360), wk = 0.0020202 k( 327) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0020202 k( 328) = ( 0.6005435 -0.0015689 0.3683110), wk = 0.0020202 k( 329) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0020202 k( 330) = ( 0.6059783 -0.0172578 0.3771859), wk = 0.0020202 k( 331) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0020202 k( 332) = ( 0.6114130 -0.0329466 0.3860609), wk = 0.0020202 k( 333) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0020202 k( 334) = ( 0.6168478 -0.0486355 0.3949358), wk = 0.0020202 k( 335) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0020202 k( 336) = ( 0.6222826 -0.0643244 0.4038108), wk = 0.0020202 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020202 k( 338) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020202 k( 339) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020202 k( 340) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020202 k( 341) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020202 k( 342) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020202 k( 343) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020202 k( 344) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020202 k( 345) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020202 k( 346) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020202 k( 347) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020202 k( 348) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020202 k( 349) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020202 k( 350) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020202 k( 351) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020202 k( 352) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020202 k( 353) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020202 k( 354) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020202 k( 355) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020202 k( 356) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020202 k( 357) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020202 k( 358) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020202 k( 359) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020202 k( 360) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020202 k( 361) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020202 k( 362) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020202 k( 363) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020202 k( 364) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020202 k( 365) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020202 k( 366) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0020202 k( 367) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0020202 k( 368) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0020202 k( 369) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0020202 k( 370) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0020202 k( 371) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0020202 k( 372) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0020202 k( 373) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0020202 k( 374) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0020202 k( 375) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0020202 k( 376) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0020202 k( 377) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0020202 k( 378) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0020202 k( 379) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0020202 k( 380) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0020202 k( 381) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0020202 k( 382) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0020202 k( 383) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0020202 k( 384) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020202 k( 385) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0020202 k( 386) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0020202 k( 387) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0020202 k( 388) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0020202 k( 389) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0020202 k( 390) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0020202 k( 391) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0020202 k( 392) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0020202 k( 393) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020202 k( 394) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0020202 k( 395) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0020202 k( 396) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0020202 k( 397) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0020202 k( 398) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0020202 k( 399) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0020202 k( 400) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0020202 k( 401) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0020202 k( 402) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020202 k( 403) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0020202 k( 404) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0020202 k( 405) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0020202 k( 406) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0020202 k( 407) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0020202 k( 408) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0020202 k( 409) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0020202 k( 410) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0020202 k( 411) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0020202 k( 412) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0020202 k( 413) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0020202 k( 414) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0020202 k( 415) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0020202 k( 416) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0020202 k( 417) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0020202 k( 418) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0020202 k( 419) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0020202 k( 420) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020202 k( 421) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020202 k( 422) = ( 0.4972826 0.2871062 0.2129991), wk = 0.0020202 k( 423) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0020202 k( 424) = ( 0.4918478 0.2839685 0.2307490), wk = 0.0020202 k( 425) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0020202 k( 426) = ( 0.4864130 0.2808307 0.2484990), wk = 0.0020202 k( 427) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0020202 k( 428) = ( 0.4809783 0.2776929 0.2662489), wk = 0.0020202 k( 429) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0020202 k( 430) = ( 0.4755435 0.2745552 0.2839988), wk = 0.0020202 k( 431) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0020202 k( 432) = ( 0.4701087 0.2714174 0.3017487), wk = 0.0020202 k( 433) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0020202 k( 434) = ( 0.4646739 0.2682796 0.3194987), wk = 0.0020202 k( 435) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0020202 k( 436) = ( 0.4592391 0.2651418 0.3372486), wk = 0.0020202 k( 437) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0020202 k( 438) = ( 0.4538044 0.2620041 0.3549985), wk = 0.0020202 k( 439) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0020202 k( 440) = ( 0.4483696 0.2588663 0.3727484), wk = 0.0020202 k( 441) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0020202 k( 442) = ( 0.4429348 0.2557285 0.3904984), wk = 0.0020202 k( 443) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0020202 k( 444) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0020202 k( 445) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0020202 k( 446) = ( 0.4320652 0.2494530 0.4259982), wk = 0.0020202 k( 447) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0020202 k( 448) = ( 0.4266304 0.2463152 0.4437481), wk = 0.0020202 k( 449) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0020202 k( 450) = ( 0.4211956 0.2431774 0.4614981), wk = 0.0020202 k( 451) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0020202 k( 452) = ( 0.4157609 0.2400397 0.4792480), wk = 0.0020202 k( 453) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0020202 k( 454) = ( 0.4103261 0.2369019 0.4969979), wk = 0.0020202 k( 455) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0020202 k( 456) = ( 0.4048913 0.2337641 0.5147478), wk = 0.0020202 k( 457) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0020202 k( 458) = ( 0.3994565 0.2306263 0.5324978), wk = 0.0020202 k( 459) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0020202 k( 460) = ( 0.3940217 0.2274886 0.5502477), wk = 0.0020202 k( 461) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0020202 k( 462) = ( 0.3885870 0.2243508 0.5679976), wk = 0.0020202 k( 463) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0020202 k( 464) = ( 0.3831522 0.2212130 0.5857475), wk = 0.0020202 k( 465) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0020202 k( 466) = ( 0.3777174 0.2180752 0.6034975), wk = 0.0020202 k( 467) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020202 k( 468) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020202 k( 469) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020202 k( 470) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020202 k( 471) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020202 k( 472) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020202 k( 473) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020202 k( 474) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020202 k( 475) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020202 k( 476) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020202 k( 477) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020202 k( 478) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020202 k( 479) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020202 k( 480) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020202 k( 481) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020202 k( 482) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020202 k( 483) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020202 k( 484) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020202 k( 485) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020202 k( 486) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020202 k( 487) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020202 k( 488) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020202 k( 489) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020202 k( 490) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020202 k( 491) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020202 k( 492) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020202 k( 493) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020202 k( 494) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020202 k( 495) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020202 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 2) = ( 0.0066667 0.0000000 0.0066667), wk = 0.0020202 k( 3) = ( 0.0133333 0.0000000 0.0133333), wk = 0.0020202 k( 4) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0020202 k( 5) = ( 0.0266667 0.0000000 0.0266667), wk = 0.0020202 k( 6) = ( 0.0333333 0.0000000 0.0333333), wk = 0.0020202 k( 7) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0020202 k( 8) = ( 0.0466667 0.0000000 0.0466667), wk = 0.0020202 k( 9) = ( 0.0533333 0.0000000 0.0533333), wk = 0.0020202 k( 10) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0020202 k( 11) = ( 0.0666667 0.0000000 0.0666667), wk = 0.0020202 k( 12) = ( 0.0733333 0.0000000 0.0733333), wk = 0.0020202 k( 13) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0020202 k( 14) = ( 0.0866667 0.0000000 0.0866667), wk = 0.0020202 k( 15) = ( 0.0933333 0.0000000 0.0933333), wk = 0.0020202 k( 16) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0020202 k( 17) = ( 0.1066667 0.0000000 0.1066667), wk = 0.0020202 k( 18) = ( 0.1133333 0.0000000 0.1133333), wk = 0.0020202 k( 19) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0020202 k( 20) = ( 0.1266667 -0.0000000 0.1266667), wk = 0.0020202 k( 21) = ( 0.1333333 0.0000000 0.1333333), wk = 0.0020202 k( 22) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0020202 k( 23) = ( 0.1466667 0.0000000 0.1466667), wk = 0.0020202 k( 24) = ( 0.1533333 0.0000000 0.1533333), wk = 0.0020202 k( 25) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0020202 k( 26) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0020202 k( 27) = ( 0.1733333 0.0000000 0.1733333), wk = 0.0020202 k( 28) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0020202 k( 29) = ( 0.1866667 0.0000000 0.1866667), wk = 0.0020202 k( 30) = ( 0.1933333 0.0000000 0.1933333), wk = 0.0020202 k( 31) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0020202 k( 32) = ( 0.2066667 0.0000000 0.2066667), wk = 0.0020202 k( 33) = ( 0.2133333 0.0000000 0.2133333), wk = 0.0020202 k( 34) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0020202 k( 35) = ( 0.2266667 0.0000000 0.2266667), wk = 0.0020202 k( 36) = ( 0.2333333 0.0000000 0.2333333), wk = 0.0020202 k( 37) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0020202 k( 38) = ( 0.2466667 0.0000000 0.2466667), wk = 0.0020202 k( 39) = ( 0.2533333 0.0000000 0.2533333), wk = 0.0020202 k( 40) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0020202 k( 41) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0020202 k( 42) = ( 0.2733333 0.0000000 0.2733333), wk = 0.0020202 k( 43) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0020202 k( 44) = ( 0.2866667 0.0000000 0.2866667), wk = 0.0020202 k( 45) = ( 0.2933333 0.0000000 0.2933333), wk = 0.0020202 k( 46) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0020202 k( 47) = ( 0.3066667 0.0000000 0.3066667), wk = 0.0020202 k( 48) = ( 0.3133333 0.0000000 0.3133333), wk = 0.0020202 k( 49) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0020202 k( 50) = ( 0.3266667 0.0000000 0.3266667), wk = 0.0020202 k( 51) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0020202 k( 52) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0020202 k( 53) = ( 0.3466667 0.0000000 0.3466667), wk = 0.0020202 k( 54) = ( 0.3533333 0.0000000 0.3533333), wk = 0.0020202 k( 55) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0020202 k( 56) = ( 0.3666667 0.0000000 0.3666667), wk = 0.0020202 k( 57) = ( 0.3733333 0.0000000 0.3733333), wk = 0.0020202 k( 58) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0020202 k( 59) = ( 0.3866667 0.0000000 0.3866667), wk = 0.0020202 k( 60) = ( 0.3933333 0.0000000 0.3933333), wk = 0.0020202 k( 61) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0020202 k( 62) = ( 0.4066667 0.0000000 0.4066667), wk = 0.0020202 k( 63) = ( 0.4133333 0.0000000 0.4133333), wk = 0.0020202 k( 64) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0020202 k( 65) = ( 0.4266667 0.0000000 0.4266667), wk = 0.0020202 k( 66) = ( 0.4333333 0.0000000 0.4333333), wk = 0.0020202 k( 67) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0020202 k( 68) = ( 0.4466667 0.0000000 0.4466667), wk = 0.0020202 k( 69) = ( 0.4533333 0.0000000 0.4533333), wk = 0.0020202 k( 70) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0020202 k( 71) = ( 0.4666667 0.0000000 0.4666667), wk = 0.0020202 k( 72) = ( 0.4733333 0.0000000 0.4733333), wk = 0.0020202 k( 73) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0020202 k( 74) = ( 0.4866667 0.0000000 0.4866667), wk = 0.0020202 k( 75) = ( 0.4933333 0.0000000 0.4933333), wk = 0.0020202 k( 76) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020202 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020202 k( 78) = ( 0.5000000 0.0065790 0.5065789), wk = 0.0020202 k( 79) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0020202 k( 80) = ( 0.5000000 0.0197368 0.5197368), wk = 0.0020202 k( 81) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0020202 k( 82) = ( 0.5000000 0.0328947 0.5328947), wk = 0.0020202 k( 83) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0020202 k( 84) = ( 0.5000000 0.0460526 0.5460526), wk = 0.0020202 k( 85) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0020202 k( 86) = ( 0.5000000 0.0592105 0.5592105), wk = 0.0020202 k( 87) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0020202 k( 88) = ( 0.5000000 0.0723684 0.5723684), wk = 0.0020202 k( 89) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0020202 k( 90) = ( 0.5000000 0.0855263 0.5855263), wk = 0.0020202 k( 91) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0020202 k( 92) = ( 0.5000000 0.0986842 0.5986842), wk = 0.0020202 k( 93) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0020202 k( 94) = ( 0.5000000 0.1118421 0.6118421), wk = 0.0020202 k( 95) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0020202 k( 96) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020202 k( 97) = ( 0.5000000 0.1315790 0.6315789), wk = 0.0020202 k( 98) = ( 0.5000000 0.1381579 0.6381579), wk = 0.0020202 k( 99) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0020202 k( 100) = ( 0.5000000 0.1513158 0.6513158), wk = 0.0020202 k( 101) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0020202 k( 102) = ( 0.5000000 0.1644737 0.6644737), wk = 0.0020202 k( 103) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0020202 k( 104) = ( 0.5000000 0.1776316 0.6776316), wk = 0.0020202 k( 105) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0020202 k( 106) = ( 0.5000000 0.1907895 0.6907895), wk = 0.0020202 k( 107) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0020202 k( 108) = ( 0.5000000 0.2039474 0.7039474), wk = 0.0020202 k( 109) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0020202 k( 110) = ( 0.5000000 0.2171053 0.7171053), wk = 0.0020202 k( 111) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0020202 k( 112) = ( 0.5000000 0.2302632 0.7302632), wk = 0.0020202 k( 113) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0020202 k( 114) = ( 0.5000000 0.2434210 0.7434211), wk = 0.0020202 k( 115) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020202 k( 116) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020202 k( 117) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020202 k( 118) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020202 k( 119) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020202 k( 120) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020202 k( 121) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020202 k( 122) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020202 k( 123) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020202 k( 124) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020202 k( 125) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020202 k( 126) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020202 k( 127) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020202 k( 128) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020202 k( 129) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020202 k( 130) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020202 k( 131) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020202 k( 132) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020202 k( 133) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020202 k( 134) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020202 k( 135) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020202 k( 136) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020202 k( 137) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020202 k( 138) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0020202 k( 139) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020202 k( 140) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020202 k( 141) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020202 k( 142) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020202 k( 143) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020202 k( 144) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020202 k( 145) = ( 0.3703125 0.3703125 0.7406250), wk = 0.0020202 k( 146) = ( 0.3656250 0.3656250 0.7312500), wk = 0.0020202 k( 147) = ( 0.3609375 0.3609375 0.7218750), wk = 0.0020202 k( 148) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0020202 k( 149) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0020202 k( 150) = ( 0.3468750 0.3468750 0.6937500), wk = 0.0020202 k( 151) = ( 0.3421875 0.3421875 0.6843750), wk = 0.0020202 k( 152) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0020202 k( 153) = ( 0.3328125 0.3328125 0.6656250), wk = 0.0020202 k( 154) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0020202 k( 155) = ( 0.3234375 0.3234375 0.6468750), wk = 0.0020202 k( 156) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0020202 k( 157) = ( 0.3140625 0.3140625 0.6281250), wk = 0.0020202 k( 158) = ( 0.3093750 0.3093750 0.6187500), wk = 0.0020202 k( 159) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0020202 k( 160) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0020202 k( 161) = ( 0.2953125 0.2953125 0.5906250), wk = 0.0020202 k( 162) = ( 0.2906250 0.2906250 0.5812500), wk = 0.0020202 k( 163) = ( 0.2859375 0.2859375 0.5718750), wk = 0.0020202 k( 164) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0020202 k( 165) = ( 0.2765625 0.2765625 0.5531250), wk = 0.0020202 k( 166) = ( 0.2718750 0.2718750 0.5437500), wk = 0.0020202 k( 167) = ( 0.2671875 0.2671875 0.5343750), wk = 0.0020202 k( 168) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0020202 k( 169) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0020202 k( 170) = ( 0.2531250 0.2531250 0.5062500), wk = 0.0020202 k( 171) = ( 0.2484375 0.2484375 0.4968750), wk = 0.0020202 k( 172) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0020202 k( 173) = ( 0.2390625 0.2390625 0.4781250), wk = 0.0020202 k( 174) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0020202 k( 175) = ( 0.2296875 0.2296875 0.4593750), wk = 0.0020202 k( 176) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0020202 k( 177) = ( 0.2203125 0.2203125 0.4406250), wk = 0.0020202 k( 178) = ( 0.2156250 0.2156250 0.4312500), wk = 0.0020202 k( 179) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0020202 k( 180) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0020202 k( 181) = ( 0.2015625 0.2015625 0.4031250), wk = 0.0020202 k( 182) = ( 0.1968750 0.1968750 0.3937500), wk = 0.0020202 k( 183) = ( 0.1921875 0.1921875 0.3843750), wk = 0.0020202 k( 184) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020202 k( 185) = ( 0.1828125 0.1828125 0.3656250), wk = 0.0020202 k( 186) = ( 0.1781250 0.1781250 0.3562500), wk = 0.0020202 k( 187) = ( 0.1734375 0.1734375 0.3468750), wk = 0.0020202 k( 188) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0020202 k( 189) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0020202 k( 190) = ( 0.1593750 0.1593750 0.3187500), wk = 0.0020202 k( 191) = ( 0.1546875 0.1546875 0.3093750), wk = 0.0020202 k( 192) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0020202 k( 193) = ( 0.1453125 0.1453125 0.2906250), wk = 0.0020202 k( 194) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0020202 k( 195) = ( 0.1359375 0.1359375 0.2718750), wk = 0.0020202 k( 196) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0020202 k( 197) = ( 0.1265625 0.1265625 0.2531250), wk = 0.0020202 k( 198) = ( 0.1218750 0.1218750 0.2437500), wk = 0.0020202 k( 199) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0020202 k( 200) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0020202 k( 201) = ( 0.1078125 0.1078125 0.2156250), wk = 0.0020202 k( 202) = ( 0.1031250 0.1031250 0.2062500), wk = 0.0020202 k( 203) = ( 0.0984375 0.0984375 0.1968750), wk = 0.0020202 k( 204) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0020202 k( 205) = ( 0.0890625 0.0890625 0.1781250), wk = 0.0020202 k( 206) = ( 0.0843750 0.0843750 0.1687500), wk = 0.0020202 k( 207) = ( 0.0796875 0.0796875 0.1593750), wk = 0.0020202 k( 208) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0020202 k( 209) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0020202 k( 210) = ( 0.0656250 0.0656250 0.1312500), wk = 0.0020202 k( 211) = ( 0.0609375 0.0609375 0.1218750), wk = 0.0020202 k( 212) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0020202 k( 213) = ( 0.0515625 0.0515625 0.1031250), wk = 0.0020202 k( 214) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0020202 k( 215) = ( 0.0421875 0.0421875 0.0843750), wk = 0.0020202 k( 216) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0020202 k( 217) = ( 0.0328125 0.0328125 0.0656250), wk = 0.0020202 k( 218) = ( 0.0281250 0.0281250 0.0562500), wk = 0.0020202 k( 219) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0020202 k( 220) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0020202 k( 221) = ( 0.0140625 0.0140625 0.0281250), wk = 0.0020202 k( 222) = ( 0.0093750 0.0093750 0.0187500), wk = 0.0020202 k( 223) = ( 0.0046875 0.0046875 0.0093750), wk = 0.0020202 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020202 k( 226) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0020202 k( 227) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0020202 k( 228) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0020202 k( 229) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0020202 k( 230) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0020202 k( 231) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0020202 k( 232) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0020202 k( 233) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0020202 k( 234) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0020202 k( 235) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0020202 k( 236) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0020202 k( 237) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0020202 k( 238) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0020202 k( 239) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0020202 k( 240) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0020202 k( 241) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0020202 k( 242) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0020202 k( 243) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0020202 k( 244) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0020202 k( 245) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0020202 k( 246) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0020202 k( 247) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0020202 k( 248) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0020202 k( 249) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0020202 k( 250) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0020202 k( 251) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0020202 k( 252) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0020202 k( 253) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0020202 k( 254) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0020202 k( 255) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0020202 k( 256) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0020202 k( 257) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0020202 k( 258) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0020202 k( 259) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0020202 k( 260) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0020202 k( 261) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0020202 k( 262) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0020202 k( 263) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0020202 k( 264) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0020202 k( 265) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0020202 k( 266) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0020202 k( 267) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0020202 k( 268) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0020202 k( 269) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0020202 k( 270) = ( 0.3461538 0.3461539 0.3461538), wk = 0.0020202 k( 271) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0020202 k( 272) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0020202 k( 273) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0020202 k( 274) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0020202 k( 275) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0020202 k( 276) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0020202 k( 277) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0020202 k( 278) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0020202 k( 279) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0020202 k( 280) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0020202 k( 281) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0020202 k( 282) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0020202 k( 283) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0020202 k( 284) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0020202 k( 285) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0020202 k( 286) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0020202 k( 287) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0020202 k( 288) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0020202 k( 289) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0020202 k( 290) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020202 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020202 k( 292) = ( 0.5027174 0.4945652 0.5027174), wk = 0.0020202 k( 293) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0020202 k( 294) = ( 0.5081522 0.4836956 0.5081522), wk = 0.0020202 k( 295) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0020202 k( 296) = ( 0.5135870 0.4728261 0.5135870), wk = 0.0020202 k( 297) = ( 0.5163043 0.4673913 0.5163043), wk = 0.0020202 k( 298) = ( 0.5190217 0.4619565 0.5190217), wk = 0.0020202 k( 299) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0020202 k( 300) = ( 0.5244565 0.4510870 0.5244565), wk = 0.0020202 k( 301) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0020202 k( 302) = ( 0.5298913 0.4402174 0.5298913), wk = 0.0020202 k( 303) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0020202 k( 304) = ( 0.5353261 0.4293478 0.5353261), wk = 0.0020202 k( 305) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0020202 k( 306) = ( 0.5407609 0.4184783 0.5407609), wk = 0.0020202 k( 307) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0020202 k( 308) = ( 0.5461957 0.4076087 0.5461957), wk = 0.0020202 k( 309) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0020202 k( 310) = ( 0.5516304 0.3967391 0.5516304), wk = 0.0020202 k( 311) = ( 0.5543478 0.3913044 0.5543478), wk = 0.0020202 k( 312) = ( 0.5570652 0.3858696 0.5570652), wk = 0.0020202 k( 313) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0020202 k( 314) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0020202 k( 315) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0020202 k( 316) = ( 0.5679348 0.3641304 0.5679348), wk = 0.0020202 k( 317) = ( 0.5706522 0.3586957 0.5706522), wk = 0.0020202 k( 318) = ( 0.5733696 0.3532609 0.5733696), wk = 0.0020202 k( 319) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0020202 k( 320) = ( 0.5788043 0.3423913 0.5788043), wk = 0.0020202 k( 321) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0020202 k( 322) = ( 0.5842391 0.3315217 0.5842391), wk = 0.0020202 k( 323) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0020202 k( 324) = ( 0.5896739 0.3206522 0.5896739), wk = 0.0020202 k( 325) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0020202 k( 326) = ( 0.5951087 0.3097826 0.5951087), wk = 0.0020202 k( 327) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0020202 k( 328) = ( 0.6005435 0.2989130 0.6005435), wk = 0.0020202 k( 329) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0020202 k( 330) = ( 0.6059783 0.2880435 0.6059783), wk = 0.0020202 k( 331) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0020202 k( 332) = ( 0.6114130 0.2771739 0.6114130), wk = 0.0020202 k( 333) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0020202 k( 334) = ( 0.6168478 0.2663044 0.6168478), wk = 0.0020202 k( 335) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0020202 k( 336) = ( 0.6222826 0.2554348 0.6222826), wk = 0.0020202 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020202 k( 338) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020202 k( 339) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020202 k( 340) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020202 k( 341) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020202 k( 342) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020202 k( 343) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0020202 k( 344) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020202 k( 345) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020202 k( 346) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020202 k( 347) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020202 k( 348) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020202 k( 349) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020202 k( 350) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020202 k( 351) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020202 k( 352) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020202 k( 353) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020202 k( 354) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020202 k( 355) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020202 k( 356) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020202 k( 357) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020202 k( 358) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020202 k( 359) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020202 k( 360) = ( 0.5231482 0.2500000 0.7268518), wk = 0.0020202 k( 361) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020202 k( 362) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020202 k( 363) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020202 k( 364) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020202 k( 365) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020202 k( 366) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020202 k( 367) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0020202 k( 368) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0020202 k( 369) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0020202 k( 370) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0020202 k( 371) = ( 0.5000000 0.2731481 0.7268518), wk = 0.0020202 k( 372) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0020202 k( 373) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0020202 k( 374) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0020202 k( 375) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0020202 k( 376) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0020202 k( 377) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0020202 k( 378) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0020202 k( 379) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0020202 k( 380) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0020202 k( 381) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0020202 k( 382) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0020202 k( 383) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0020202 k( 384) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020202 k( 385) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0020202 k( 386) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0020202 k( 387) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0020202 k( 388) = ( 0.5000000 0.3518519 0.6481482), wk = 0.0020202 k( 389) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0020202 k( 390) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0020202 k( 391) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0020202 k( 392) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0020202 k( 393) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020202 k( 394) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0020202 k( 395) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0020202 k( 396) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0020202 k( 397) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0020202 k( 398) = ( 0.5000000 0.3981482 0.6018518), wk = 0.0020202 k( 399) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0020202 k( 400) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0020202 k( 401) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0020202 k( 402) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020202 k( 403) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0020202 k( 404) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0020202 k( 405) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0020202 k( 406) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0020202 k( 407) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0020202 k( 408) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0020202 k( 409) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0020202 k( 410) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0020202 k( 411) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0020202 k( 412) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0020202 k( 413) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0020202 k( 414) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0020202 k( 415) = ( 0.5000000 0.4768518 0.5231482), wk = 0.0020202 k( 416) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0020202 k( 417) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0020202 k( 418) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0020202 k( 419) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0020202 k( 420) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020202 k( 421) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020202 k( 422) = ( 0.4972826 0.4972826 0.5054348), wk = 0.0020202 k( 423) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0020202 k( 424) = ( 0.4918478 0.4918478 0.5163043), wk = 0.0020202 k( 425) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0020202 k( 426) = ( 0.4864130 0.4864130 0.5271739), wk = 0.0020202 k( 427) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0020202 k( 428) = ( 0.4809783 0.4809783 0.5380435), wk = 0.0020202 k( 429) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0020202 k( 430) = ( 0.4755435 0.4755435 0.5489130), wk = 0.0020202 k( 431) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0020202 k( 432) = ( 0.4701087 0.4701087 0.5597826), wk = 0.0020202 k( 433) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0020202 k( 434) = ( 0.4646739 0.4646739 0.5706522), wk = 0.0020202 k( 435) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0020202 k( 436) = ( 0.4592391 0.4592391 0.5815217), wk = 0.0020202 k( 437) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0020202 k( 438) = ( 0.4538044 0.4538044 0.5923913), wk = 0.0020202 k( 439) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0020202 k( 440) = ( 0.4483696 0.4483696 0.6032609), wk = 0.0020202 k( 441) = ( 0.4456522 0.4456522 0.6086957), wk = 0.0020202 k( 442) = ( 0.4429348 0.4429348 0.6141304), wk = 0.0020202 k( 443) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0020202 k( 444) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0020202 k( 445) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0020202 k( 446) = ( 0.4320652 0.4320652 0.6358696), wk = 0.0020202 k( 447) = ( 0.4293478 0.4293478 0.6413043), wk = 0.0020202 k( 448) = ( 0.4266304 0.4266304 0.6467391), wk = 0.0020202 k( 449) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0020202 k( 450) = ( 0.4211956 0.4211957 0.6576087), wk = 0.0020202 k( 451) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0020202 k( 452) = ( 0.4157609 0.4157609 0.6684783), wk = 0.0020202 k( 453) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0020202 k( 454) = ( 0.4103261 0.4103261 0.6793478), wk = 0.0020202 k( 455) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0020202 k( 456) = ( 0.4048913 0.4048913 0.6902174), wk = 0.0020202 k( 457) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0020202 k( 458) = ( 0.3994565 0.3994565 0.7010870), wk = 0.0020202 k( 459) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0020202 k( 460) = ( 0.3940217 0.3940217 0.7119565), wk = 0.0020202 k( 461) = ( 0.3913044 0.3913044 0.7173913), wk = 0.0020202 k( 462) = ( 0.3885870 0.3885870 0.7228261), wk = 0.0020202 k( 463) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0020202 k( 464) = ( 0.3831522 0.3831522 0.7336957), wk = 0.0020202 k( 465) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0020202 k( 466) = ( 0.3777174 0.3777174 0.7445652), wk = 0.0020202 k( 467) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020202 k( 468) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020202 k( 469) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020202 k( 470) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020202 k( 471) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020202 k( 472) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020202 k( 473) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0020202 k( 474) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020202 k( 475) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020202 k( 476) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020202 k( 477) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020202 k( 478) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020202 k( 479) = ( 0.5740741 0.1481482 0.5740741), wk = 0.0020202 k( 480) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020202 k( 481) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020202 k( 482) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020202 k( 483) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020202 k( 484) = ( 0.5509259 0.1018519 0.5509259), wk = 0.0020202 k( 485) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020202 k( 486) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020202 k( 487) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020202 k( 488) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020202 k( 489) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020202 k( 490) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0020202 k( 491) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020202 k( 492) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020202 k( 493) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020202 k( 494) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020202 k( 495) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020202 Dense grid: 12039 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 4909 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 40, 26) NL pseudopotentials 0.01 Mb ( 20, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 335) G-vector shells 0.00 Mb ( 141) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 40, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./GaN.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 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 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.8 secs Computing kpt #: 15 total cpu time spent up to now is 2.9 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 3.0 secs Computing kpt #: 18 total cpu time spent up to now is 3.1 secs Computing kpt #: 19 total cpu time spent up to now is 3.2 secs Computing kpt #: 20 total cpu time spent up to now is 3.2 secs Computing kpt #: 21 total cpu time spent up to now is 3.3 secs Computing kpt #: 22 total cpu time spent up to now is 3.4 secs Computing kpt #: 23 total cpu time spent up to now is 3.5 secs Computing kpt #: 24 total cpu time spent up to now is 3.6 secs Computing kpt #: 25 total cpu time spent up to now is 3.6 secs Computing kpt #: 26 total cpu time spent up to now is 3.7 secs Computing kpt #: 27 total cpu time spent up to now is 3.8 secs Computing kpt #: 28 total cpu time spent up to now is 3.9 secs Computing kpt #: 29 total cpu time spent up to now is 3.9 secs Computing kpt #: 30 total cpu time spent up to now is 4.0 secs Computing kpt #: 31 total cpu time spent up to now is 4.1 secs Computing kpt #: 32 total cpu time spent up to now is 4.2 secs Computing kpt #: 33 total cpu time spent up to now is 4.2 secs Computing kpt #: 34 total cpu time spent up to now is 4.3 secs Computing kpt #: 35 total cpu time spent up to now is 4.4 secs Computing kpt #: 36 total cpu time spent up to now is 4.5 secs Computing kpt #: 37 total cpu time spent up to now is 4.5 secs Computing kpt #: 38 total cpu time spent up to now is 4.6 secs Computing kpt #: 39 total cpu time spent up to now is 4.7 secs Computing kpt #: 40 total cpu time spent up to now is 4.7 secs Computing kpt #: 41 total cpu time spent up to now is 4.8 secs Computing kpt #: 42 total cpu time spent up to now is 4.9 secs Computing kpt #: 43 total cpu time spent up to now is 5.0 secs Computing kpt #: 44 total cpu time spent up to now is 5.0 secs Computing kpt #: 45 total cpu time spent up to now is 5.1 secs Computing kpt #: 46 total cpu time spent up to now is 5.1 secs Computing kpt #: 47 total cpu time spent up to now is 5.2 secs Computing kpt #: 48 total cpu time spent up to now is 5.2 secs Computing kpt #: 49 total cpu time spent up to now is 5.3 secs Computing kpt #: 50 total cpu time spent up to now is 5.4 secs Computing kpt #: 51 total cpu time spent up to now is 5.4 secs Computing kpt #: 52 total cpu time spent up to now is 5.5 secs Computing kpt #: 53 total cpu time spent up to now is 5.5 secs Computing kpt #: 54 total cpu time spent up to now is 5.6 secs Computing kpt #: 55 total cpu time spent up to now is 5.6 secs Computing kpt #: 56 total cpu time spent up to now is 5.7 secs Computing kpt #: 57 total cpu time spent up to now is 5.8 secs Computing kpt #: 58 total cpu time spent up to now is 5.8 secs Computing kpt #: 59 total cpu time spent up to now is 5.9 secs Computing kpt #: 60 total cpu time spent up to now is 5.9 secs Computing kpt #: 61 total cpu time spent up to now is 6.0 secs Computing kpt #: 62 total cpu time spent up to now is 6.0 secs Computing kpt #: 63 total cpu time spent up to now is 6.1 secs Computing kpt #: 64 total cpu time spent up to now is 6.1 secs Computing kpt #: 65 total cpu time spent up to now is 6.2 secs Computing kpt #: 66 total cpu time spent up to now is 6.3 secs Computing kpt #: 67 total cpu time spent up to now is 6.3 secs Computing kpt #: 68 total cpu time spent up to now is 6.4 secs Computing kpt #: 69 total cpu time spent up to now is 6.4 secs Computing kpt #: 70 total cpu time spent up to now is 6.5 secs Computing kpt #: 71 total cpu time spent up to now is 6.5 secs Computing kpt #: 72 total cpu time spent up to now is 6.6 secs Computing kpt #: 73 total cpu time spent up to now is 6.7 secs Computing kpt #: 74 total cpu time spent up to now is 6.7 secs Computing kpt #: 75 total cpu time spent up to now is 6.8 secs Computing kpt #: 76 total cpu time spent up to now is 6.8 secs Computing kpt #: 77 total cpu time spent up to now is 6.9 secs Computing kpt #: 78 total cpu time spent up to now is 6.9 secs Computing kpt #: 79 total cpu time spent up to now is 7.0 secs Computing kpt #: 80 total cpu time spent up to now is 7.0 secs Computing kpt #: 81 total cpu time spent up to now is 7.1 secs Computing kpt #: 82 total cpu time spent up to now is 7.1 secs Computing kpt #: 83 total cpu time spent up to now is 7.2 secs Computing kpt #: 84 total cpu time spent up to now is 7.2 secs Computing kpt #: 85 total cpu time spent up to now is 7.3 secs Computing kpt #: 86 total cpu time spent up to now is 7.3 secs Computing kpt #: 87 total cpu time spent up to now is 7.4 secs Computing kpt #: 88 total cpu time spent up to now is 7.4 secs Computing kpt #: 89 total cpu time spent up to now is 7.5 secs Computing kpt #: 90 total cpu time spent up to now is 7.5 secs Computing kpt #: 91 total cpu time spent up to now is 7.6 secs Computing kpt #: 92 total cpu time spent up to now is 7.6 secs Computing kpt #: 93 total cpu time spent up to now is 7.7 secs Computing kpt #: 94 total cpu time spent up to now is 7.7 secs Computing kpt #: 95 total cpu time spent up to now is 7.8 secs Computing kpt #: 96 total cpu time spent up to now is 7.8 secs Computing kpt #: 97 total cpu time spent up to now is 7.9 secs Computing kpt #: 98 total cpu time spent up to now is 7.9 secs Computing kpt #: 99 total cpu time spent up to now is 8.0 secs Computing kpt #: 100 total cpu time spent up to now is 8.0 secs Computing kpt #: 101 total cpu time spent up to now is 8.1 secs Computing kpt #: 102 total cpu time spent up to now is 8.1 secs Computing kpt #: 103 total cpu time spent up to now is 8.2 secs Computing kpt #: 104 total cpu time spent up to now is 8.2 secs Computing kpt #: 105 total cpu time spent up to now is 8.3 secs Computing kpt #: 106 total cpu time spent up to now is 8.3 secs Computing kpt #: 107 total cpu time spent up to now is 8.4 secs Computing kpt #: 108 total cpu time spent up to now is 8.4 secs Computing kpt #: 109 total cpu time spent up to now is 8.5 secs Computing kpt #: 110 total cpu time spent up to now is 8.5 secs Computing kpt #: 111 total cpu time spent up to now is 8.6 secs Computing kpt #: 112 total cpu time spent up to now is 8.6 secs Computing kpt #: 113 total cpu time spent up to now is 8.7 secs Computing kpt #: 114 total cpu time spent up to now is 8.7 secs Computing kpt #: 115 total cpu time spent up to now is 8.8 secs Computing kpt #: 116 total cpu time spent up to now is 8.8 secs Computing kpt #: 117 total cpu time spent up to now is 8.9 secs Computing kpt #: 118 total cpu time spent up to now is 8.9 secs Computing kpt #: 119 total cpu time spent up to now is 9.0 secs Computing kpt #: 120 total cpu time spent up to now is 9.0 secs Computing kpt #: 121 total cpu time spent up to now is 9.0 secs Computing kpt #: 122 total cpu time spent up to now is 9.1 secs Computing kpt #: 123 total cpu time spent up to now is 9.1 secs Computing kpt #: 124 total cpu time spent up to now is 9.2 secs Computing kpt #: 125 total cpu time spent up to now is 9.2 secs Computing kpt #: 126 total cpu time spent up to now is 9.3 secs Computing kpt #: 127 total cpu time spent up to now is 9.3 secs Computing kpt #: 128 total cpu time spent up to now is 9.4 secs Computing kpt #: 129 total cpu time spent up to now is 9.4 secs Computing kpt #: 130 total cpu time spent up to now is 9.5 secs Computing kpt #: 131 total cpu time spent up to now is 9.5 secs Computing kpt #: 132 total cpu time spent up to now is 9.6 secs Computing kpt #: 133 total cpu time spent up to now is 9.6 secs Computing kpt #: 134 total cpu time spent up to now is 9.7 secs Computing kpt #: 135 total cpu time spent up to now is 9.7 secs Computing kpt #: 136 total cpu time spent up to now is 9.8 secs Computing kpt #: 137 total cpu time spent up to now is 9.9 secs Computing kpt #: 138 total cpu time spent up to now is 9.9 secs Computing kpt #: 139 total cpu time spent up to now is 10.0 secs Computing kpt #: 140 total cpu time spent up to now is 10.0 secs Computing kpt #: 141 total cpu time spent up to now is 10.1 secs Computing kpt #: 142 total cpu time spent up to now is 10.1 secs Computing kpt #: 143 total cpu time spent up to now is 10.2 secs Computing kpt #: 144 total cpu time spent up to now is 10.2 secs Computing kpt #: 145 total cpu time spent up to now is 10.3 secs Computing kpt #: 146 total cpu time spent up to now is 10.3 secs Computing kpt #: 147 total cpu time spent up to now is 10.4 secs Computing kpt #: 148 total cpu time spent up to now is 10.4 secs Computing kpt #: 149 total cpu time spent up to now is 10.5 secs Computing kpt #: 150 total cpu time spent up to now is 10.5 secs Computing kpt #: 151 total cpu time spent up to now is 10.6 secs Computing kpt #: 152 total cpu time spent up to now is 10.6 secs Computing kpt #: 153 total cpu time spent up to now is 10.7 secs Computing kpt #: 154 total cpu time spent up to now is 10.7 secs Computing kpt #: 155 total cpu time spent up to now is 10.8 secs Computing kpt #: 156 total cpu time spent up to now is 10.8 secs Computing kpt #: 157 total cpu time spent up to now is 10.9 secs Computing kpt #: 158 total cpu time spent up to now is 10.9 secs Computing kpt #: 159 total cpu time spent up to now is 11.0 secs Computing kpt #: 160 total cpu time spent up to now is 11.0 secs Computing kpt #: 161 total cpu time spent up to now is 11.1 secs Computing kpt #: 162 total cpu time spent up to now is 11.1 secs Computing kpt #: 163 total cpu time spent up to now is 11.2 secs Computing kpt #: 164 total cpu time spent up to now is 11.2 secs Computing kpt #: 165 total cpu time spent up to now is 11.3 secs Computing kpt #: 166 total cpu time spent up to now is 11.3 secs Computing kpt #: 167 total cpu time spent up to now is 11.4 secs Computing kpt #: 168 total cpu time spent up to now is 11.4 secs Computing kpt #: 169 total cpu time spent up to now is 11.5 secs Computing kpt #: 170 total cpu time spent up to now is 11.5 secs Computing kpt #: 171 total cpu time spent up to now is 11.6 secs Computing kpt #: 172 total cpu time spent up to now is 11.6 secs Computing kpt #: 173 total cpu time spent up to now is 11.7 secs Computing kpt #: 174 total cpu time spent up to now is 11.7 secs Computing kpt #: 175 total cpu time spent up to now is 11.8 secs Computing kpt #: 176 total cpu time spent up to now is 11.8 secs Computing kpt #: 177 total cpu time spent up to now is 11.9 secs Computing kpt #: 178 total cpu time spent up to now is 11.9 secs Computing kpt #: 179 total cpu time spent up to now is 12.0 secs Computing kpt #: 180 total cpu time spent up to now is 12.0 secs Computing kpt #: 181 total cpu time spent up to now is 12.1 secs Computing kpt #: 182 total cpu time spent up to now is 12.1 secs Computing kpt #: 183 total cpu time spent up to now is 12.2 secs Computing kpt #: 184 total cpu time spent up to now is 12.2 secs Computing kpt #: 185 total cpu time spent up to now is 12.3 secs Computing kpt #: 186 total cpu time spent up to now is 12.4 secs Computing kpt #: 187 total cpu time spent up to now is 12.4 secs Computing kpt #: 188 total cpu time spent up to now is 12.5 secs Computing kpt #: 189 total cpu time spent up to now is 12.5 secs Computing kpt #: 190 total cpu time spent up to now is 12.6 secs Computing kpt #: 191 total cpu time spent up to now is 12.6 secs Computing kpt #: 192 total cpu time spent up to now is 12.7 secs Computing kpt #: 193 total cpu time spent up to now is 12.7 secs Computing kpt #: 194 total cpu time spent up to now is 12.8 secs Computing kpt #: 195 total cpu time spent up to now is 12.8 secs Computing kpt #: 196 total cpu time spent up to now is 12.9 secs Computing kpt #: 197 total cpu time spent up to now is 12.9 secs Computing kpt #: 198 total cpu time spent up to now is 13.0 secs Computing kpt #: 199 total cpu time spent up to now is 13.1 secs Computing kpt #: 200 total cpu time spent up to now is 13.1 secs Computing kpt #: 201 total cpu time spent up to now is 13.2 secs Computing kpt #: 202 total cpu time spent up to now is 13.3 secs Computing kpt #: 203 total cpu time spent up to now is 13.3 secs Computing kpt #: 204 total cpu time spent up to now is 13.4 secs Computing kpt #: 205 total cpu time spent up to now is 13.4 secs Computing kpt #: 206 total cpu time spent up to now is 13.5 secs Computing kpt #: 207 total cpu time spent up to now is 13.6 secs Computing kpt #: 208 total cpu time spent up to now is 13.6 secs Computing kpt #: 209 total cpu time spent up to now is 13.7 secs Computing kpt #: 210 total cpu time spent up to now is 13.8 secs Computing kpt #: 211 total cpu time spent up to now is 13.8 secs Computing kpt #: 212 total cpu time spent up to now is 13.9 secs Computing kpt #: 213 total cpu time spent up to now is 14.0 secs Computing kpt #: 214 total cpu time spent up to now is 14.1 secs Computing kpt #: 215 total cpu time spent up to now is 14.1 secs Computing kpt #: 216 total cpu time spent up to now is 14.2 secs Computing kpt #: 217 total cpu time spent up to now is 14.3 secs Computing kpt #: 218 total cpu time spent up to now is 14.4 secs Computing kpt #: 219 total cpu time spent up to now is 14.4 secs Computing kpt #: 220 total cpu time spent up to now is 14.5 secs Computing kpt #: 221 total cpu time spent up to now is 14.6 secs Computing kpt #: 222 total cpu time spent up to now is 14.7 secs Computing kpt #: 223 total cpu time spent up to now is 14.7 secs Computing kpt #: 224 total cpu time spent up to now is 14.8 secs Computing kpt #: 225 total cpu time spent up to now is 15.2 secs Computing kpt #: 226 total cpu time spent up to now is 15.3 secs Computing kpt #: 227 total cpu time spent up to now is 15.3 secs Computing kpt #: 228 total cpu time spent up to now is 15.4 secs Computing kpt #: 229 total cpu time spent up to now is 15.5 secs Computing kpt #: 230 total cpu time spent up to now is 15.6 secs Computing kpt #: 231 total cpu time spent up to now is 15.6 secs Computing kpt #: 232 total cpu time spent up to now is 15.7 secs Computing kpt #: 233 total cpu time spent up to now is 15.8 secs Computing kpt #: 234 total cpu time spent up to now is 15.8 secs Computing kpt #: 235 total cpu time spent up to now is 15.9 secs Computing kpt #: 236 total cpu time spent up to now is 16.0 secs Computing kpt #: 237 total cpu time spent up to now is 16.1 secs Computing kpt #: 238 total cpu time spent up to now is 16.1 secs Computing kpt #: 239 total cpu time spent up to now is 16.2 secs Computing kpt #: 240 total cpu time spent up to now is 16.3 secs Computing kpt #: 241 total cpu time spent up to now is 16.3 secs Computing kpt #: 242 total cpu time spent up to now is 16.4 secs Computing kpt #: 243 total cpu time spent up to now is 16.5 secs Computing kpt #: 244 total cpu time spent up to now is 16.5 secs Computing kpt #: 245 total cpu time spent up to now is 16.6 secs Computing kpt #: 246 total cpu time spent up to now is 16.7 secs Computing kpt #: 247 total cpu time spent up to now is 16.7 secs Computing kpt #: 248 total cpu time spent up to now is 16.8 secs Computing kpt #: 249 total cpu time spent up to now is 16.8 secs Computing kpt #: 250 total cpu time spent up to now is 16.9 secs Computing kpt #: 251 total cpu time spent up to now is 17.0 secs Computing kpt #: 252 total cpu time spent up to now is 17.0 secs Computing kpt #: 253 total cpu time spent up to now is 17.1 secs Computing kpt #: 254 total cpu time spent up to now is 17.1 secs Computing kpt #: 255 total cpu time spent up to now is 17.2 secs Computing kpt #: 256 total cpu time spent up to now is 17.2 secs Computing kpt #: 257 total cpu time spent up to now is 17.3 secs Computing kpt #: 258 total cpu time spent up to now is 17.4 secs Computing kpt #: 259 total cpu time spent up to now is 17.4 secs Computing kpt #: 260 total cpu time spent up to now is 17.5 secs Computing kpt #: 261 total cpu time spent up to now is 17.5 secs Computing kpt #: 262 total cpu time spent up to now is 17.6 secs Computing kpt #: 263 total cpu time spent up to now is 17.6 secs Computing kpt #: 264 total cpu time spent up to now is 17.7 secs Computing kpt #: 265 total cpu time spent up to now is 17.7 secs Computing kpt #: 266 total cpu time spent up to now is 17.8 secs Computing kpt #: 267 total cpu time spent up to now is 17.9 secs Computing kpt #: 268 total cpu time spent up to now is 17.9 secs Computing kpt #: 269 total cpu time spent up to now is 18.0 secs Computing kpt #: 270 total cpu time spent up to now is 18.0 secs Computing kpt #: 271 total cpu time spent up to now is 18.1 secs Computing kpt #: 272 total cpu time spent up to now is 18.1 secs Computing kpt #: 273 total cpu time spent up to now is 18.2 secs Computing kpt #: 274 total cpu time spent up to now is 18.2 secs Computing kpt #: 275 total cpu time spent up to now is 18.3 secs Computing kpt #: 276 total cpu time spent up to now is 18.3 secs Computing kpt #: 277 total cpu time spent up to now is 18.4 secs Computing kpt #: 278 total cpu time spent up to now is 18.4 secs Computing kpt #: 279 total cpu time spent up to now is 18.5 secs Computing kpt #: 280 total cpu time spent up to now is 18.5 secs Computing kpt #: 281 total cpu time spent up to now is 18.6 secs Computing kpt #: 282 total cpu time spent up to now is 18.6 secs Computing kpt #: 283 total cpu time spent up to now is 18.7 secs Computing kpt #: 284 total cpu time spent up to now is 18.7 secs Computing kpt #: 285 total cpu time spent up to now is 18.8 secs Computing kpt #: 286 total cpu time spent up to now is 18.8 secs Computing kpt #: 287 total cpu time spent up to now is 18.9 secs Computing kpt #: 288 total cpu time spent up to now is 18.9 secs Computing kpt #: 289 total cpu time spent up to now is 19.0 secs Computing kpt #: 290 total cpu time spent up to now is 19.0 secs Computing kpt #: 291 total cpu time spent up to now is 19.1 secs Computing kpt #: 292 total cpu time spent up to now is 19.1 secs Computing kpt #: 293 total cpu time spent up to now is 19.2 secs Computing kpt #: 294 total cpu time spent up to now is 19.2 secs Computing kpt #: 295 total cpu time spent up to now is 19.3 secs Computing kpt #: 296 total cpu time spent up to now is 19.3 secs Computing kpt #: 297 total cpu time spent up to now is 19.4 secs Computing kpt #: 298 total cpu time spent up to now is 19.4 secs Computing kpt #: 299 total cpu time spent up to now is 19.5 secs Computing kpt #: 300 total cpu time spent up to now is 19.5 secs Computing kpt #: 301 total cpu time spent up to now is 19.6 secs Computing kpt #: 302 total cpu time spent up to now is 19.6 secs Computing kpt #: 303 total cpu time spent up to now is 19.7 secs Computing kpt #: 304 total cpu time spent up to now is 19.7 secs Computing kpt #: 305 total cpu time spent up to now is 19.8 secs Computing kpt #: 306 total cpu time spent up to now is 19.8 secs Computing kpt #: 307 total cpu time spent up to now is 19.9 secs Computing kpt #: 308 total cpu time spent up to now is 19.9 secs Computing kpt #: 309 total cpu time spent up to now is 20.0 secs Computing kpt #: 310 total cpu time spent up to now is 20.0 secs Computing kpt #: 311 total cpu time spent up to now is 20.1 secs Computing kpt #: 312 total cpu time spent up to now is 20.2 secs Computing kpt #: 313 total cpu time spent up to now is 20.2 secs Computing kpt #: 314 total cpu time spent up to now is 20.3 secs Computing kpt #: 315 total cpu time spent up to now is 20.3 secs Computing kpt #: 316 total cpu time spent up to now is 20.4 secs Computing kpt #: 317 total cpu time spent up to now is 20.4 secs Computing kpt #: 318 total cpu time spent up to now is 20.5 secs Computing kpt #: 319 total cpu time spent up to now is 20.5 secs Computing kpt #: 320 total cpu time spent up to now is 20.6 secs Computing kpt #: 321 total cpu time spent up to now is 20.6 secs Computing kpt #: 322 total cpu time spent up to now is 20.7 secs Computing kpt #: 323 total cpu time spent up to now is 20.7 secs Computing kpt #: 324 total cpu time spent up to now is 20.8 secs Computing kpt #: 325 total cpu time spent up to now is 20.8 secs Computing kpt #: 326 total cpu time spent up to now is 20.9 secs Computing kpt #: 327 total cpu time spent up to now is 20.9 secs Computing kpt #: 328 total cpu time spent up to now is 21.0 secs Computing kpt #: 329 total cpu time spent up to now is 21.0 secs Computing kpt #: 330 total cpu time spent up to now is 21.1 secs Computing kpt #: 331 total cpu time spent up to now is 21.1 secs Computing kpt #: 332 total cpu time spent up to now is 21.2 secs Computing kpt #: 333 total cpu time spent up to now is 21.2 secs Computing kpt #: 334 total cpu time spent up to now is 21.3 secs Computing kpt #: 335 total cpu time spent up to now is 21.3 secs Computing kpt #: 336 total cpu time spent up to now is 21.4 secs Computing kpt #: 337 total cpu time spent up to now is 21.5 secs Computing kpt #: 338 total cpu time spent up to now is 21.5 secs Computing kpt #: 339 total cpu time spent up to now is 21.6 secs Computing kpt #: 340 total cpu time spent up to now is 21.6 secs Computing kpt #: 341 total cpu time spent up to now is 21.7 secs Computing kpt #: 342 total cpu time spent up to now is 21.7 secs Computing kpt #: 343 total cpu time spent up to now is 21.8 secs Computing kpt #: 344 total cpu time spent up to now is 21.8 secs Computing kpt #: 345 total cpu time spent up to now is 21.9 secs Computing kpt #: 346 total cpu time spent up to now is 21.9 secs Computing kpt #: 347 total cpu time spent up to now is 22.0 secs Computing kpt #: 348 total cpu time spent up to now is 22.0 secs Computing kpt #: 349 total cpu time spent up to now is 22.1 secs Computing kpt #: 350 total cpu time spent up to now is 22.1 secs Computing kpt #: 351 total cpu time spent up to now is 22.2 secs Computing kpt #: 352 total cpu time spent up to now is 22.2 secs Computing kpt #: 353 total cpu time spent up to now is 22.3 secs Computing kpt #: 354 total cpu time spent up to now is 22.3 secs Computing kpt #: 355 total cpu time spent up to now is 22.4 secs Computing kpt #: 356 total cpu time spent up to now is 22.4 secs Computing kpt #: 357 total cpu time spent up to now is 22.5 secs Computing kpt #: 358 total cpu time spent up to now is 22.5 secs Computing kpt #: 359 total cpu time spent up to now is 22.6 secs Computing kpt #: 360 total cpu time spent up to now is 22.6 secs Computing kpt #: 361 total cpu time spent up to now is 22.7 secs Computing kpt #: 362 total cpu time spent up to now is 22.7 secs Computing kpt #: 363 total cpu time spent up to now is 22.7 secs Computing kpt #: 364 total cpu time spent up to now is 22.8 secs Computing kpt #: 365 total cpu time spent up to now is 22.8 secs Computing kpt #: 366 total cpu time spent up to now is 22.9 secs Computing kpt #: 367 total cpu time spent up to now is 22.9 secs Computing kpt #: 368 total cpu time spent up to now is 23.0 secs Computing kpt #: 369 total cpu time spent up to now is 23.0 secs Computing kpt #: 370 total cpu time spent up to now is 23.1 secs Computing kpt #: 371 total cpu time spent up to now is 23.1 secs Computing kpt #: 372 total cpu time spent up to now is 23.2 secs Computing kpt #: 373 total cpu time spent up to now is 23.2 secs Computing kpt #: 374 total cpu time spent up to now is 23.3 secs Computing kpt #: 375 total cpu time spent up to now is 23.3 secs Computing kpt #: 376 total cpu time spent up to now is 23.4 secs Computing kpt #: 377 total cpu time spent up to now is 23.4 secs Computing kpt #: 378 total cpu time spent up to now is 23.5 secs Computing kpt #: 379 total cpu time spent up to now is 23.5 secs Computing kpt #: 380 total cpu time spent up to now is 23.6 secs Computing kpt #: 381 total cpu time spent up to now is 23.6 secs Computing kpt #: 382 total cpu time spent up to now is 23.7 secs Computing kpt #: 383 total cpu time spent up to now is 23.7 secs Computing kpt #: 384 total cpu time spent up to now is 23.8 secs Computing kpt #: 385 total cpu time spent up to now is 23.8 secs Computing kpt #: 386 total cpu time spent up to now is 23.9 secs Computing kpt #: 387 total cpu time spent up to now is 23.9 secs Computing kpt #: 388 total cpu time spent up to now is 24.0 secs Computing kpt #: 389 total cpu time spent up to now is 24.0 secs Computing kpt #: 390 total cpu time spent up to now is 24.1 secs Computing kpt #: 391 total cpu time spent up to now is 24.1 secs Computing kpt #: 392 total cpu time spent up to now is 24.2 secs Computing kpt #: 393 total cpu time spent up to now is 24.2 secs Computing kpt #: 394 total cpu time spent up to now is 24.3 secs Computing kpt #: 395 total cpu time spent up to now is 24.3 secs Computing kpt #: 396 total cpu time spent up to now is 24.4 secs Computing kpt #: 397 total cpu time spent up to now is 24.4 secs Computing kpt #: 398 total cpu time spent up to now is 24.5 secs Computing kpt #: 399 total cpu time spent up to now is 24.6 secs Computing kpt #: 400 total cpu time spent up to now is 24.6 secs Computing kpt #: 401 total cpu time spent up to now is 24.7 secs Computing kpt #: 402 total cpu time spent up to now is 24.7 secs Computing kpt #: 403 total cpu time spent up to now is 24.8 secs Computing kpt #: 404 total cpu time spent up to now is 24.8 secs Computing kpt #: 405 total cpu time spent up to now is 24.9 secs Computing kpt #: 406 total cpu time spent up to now is 24.9 secs Computing kpt #: 407 total cpu time spent up to now is 25.0 secs Computing kpt #: 408 total cpu time spent up to now is 25.0 secs Computing kpt #: 409 total cpu time spent up to now is 25.1 secs Computing kpt #: 410 total cpu time spent up to now is 25.1 secs Computing kpt #: 411 total cpu time spent up to now is 25.2 secs Computing kpt #: 412 total cpu time spent up to now is 25.2 secs Computing kpt #: 413 total cpu time spent up to now is 25.3 secs Computing kpt #: 414 total cpu time spent up to now is 25.3 secs Computing kpt #: 415 total cpu time spent up to now is 25.4 secs Computing kpt #: 416 total cpu time spent up to now is 25.4 secs Computing kpt #: 417 total cpu time spent up to now is 25.5 secs Computing kpt #: 418 total cpu time spent up to now is 25.5 secs Computing kpt #: 419 total cpu time spent up to now is 25.6 secs Computing kpt #: 420 total cpu time spent up to now is 25.6 secs Computing kpt #: 421 total cpu time spent up to now is 25.7 secs Computing kpt #: 422 total cpu time spent up to now is 25.7 secs Computing kpt #: 423 total cpu time spent up to now is 25.8 secs Computing kpt #: 424 total cpu time spent up to now is 25.8 secs Computing kpt #: 425 total cpu time spent up to now is 25.9 secs Computing kpt #: 426 total cpu time spent up to now is 25.9 secs Computing kpt #: 427 total cpu time spent up to now is 26.0 secs Computing kpt #: 428 total cpu time spent up to now is 26.0 secs Computing kpt #: 429 total cpu time spent up to now is 26.1 secs Computing kpt #: 430 total cpu time spent up to now is 26.1 secs Computing kpt #: 431 total cpu time spent up to now is 26.2 secs Computing kpt #: 432 total cpu time spent up to now is 26.2 secs Computing kpt #: 433 total cpu time spent up to now is 26.3 secs Computing kpt #: 434 total cpu time spent up to now is 26.3 secs Computing kpt #: 435 total cpu time spent up to now is 26.4 secs Computing kpt #: 436 total cpu time spent up to now is 26.4 secs Computing kpt #: 437 total cpu time spent up to now is 26.5 secs Computing kpt #: 438 total cpu time spent up to now is 26.5 secs Computing kpt #: 439 total cpu time spent up to now is 26.6 secs Computing kpt #: 440 total cpu time spent up to now is 26.6 secs Computing kpt #: 441 total cpu time spent up to now is 26.7 secs Computing kpt #: 442 total cpu time spent up to now is 26.8 secs Computing kpt #: 443 total cpu time spent up to now is 26.8 secs Computing kpt #: 444 total cpu time spent up to now is 26.9 secs Computing kpt #: 445 total cpu time spent up to now is 26.9 secs Computing kpt #: 446 total cpu time spent up to now is 27.0 secs Computing kpt #: 447 total cpu time spent up to now is 27.0 secs Computing kpt #: 448 total cpu time spent up to now is 27.1 secs Computing kpt #: 449 total cpu time spent up to now is 27.1 secs Computing kpt #: 450 total cpu time spent up to now is 27.2 secs Computing kpt #: 451 total cpu time spent up to now is 27.2 secs Computing kpt #: 452 total cpu time spent up to now is 27.3 secs Computing kpt #: 453 total cpu time spent up to now is 27.3 secs Computing kpt #: 454 total cpu time spent up to now is 27.4 secs Computing kpt #: 455 total cpu time spent up to now is 27.5 secs Computing kpt #: 456 total cpu time spent up to now is 27.5 secs Computing kpt #: 457 total cpu time spent up to now is 27.6 secs Computing kpt #: 458 total cpu time spent up to now is 27.6 secs Computing kpt #: 459 total cpu time spent up to now is 27.7 secs Computing kpt #: 460 total cpu time spent up to now is 27.7 secs Computing kpt #: 461 total cpu time spent up to now is 27.8 secs Computing kpt #: 462 total cpu time spent up to now is 27.8 secs Computing kpt #: 463 total cpu time spent up to now is 27.9 secs Computing kpt #: 464 total cpu time spent up to now is 27.9 secs Computing kpt #: 465 total cpu time spent up to now is 28.0 secs Computing kpt #: 466 total cpu time spent up to now is 28.0 secs Computing kpt #: 467 total cpu time spent up to now is 28.1 secs Computing kpt #: 468 total cpu time spent up to now is 28.1 secs Computing kpt #: 469 total cpu time spent up to now is 28.2 secs Computing kpt #: 470 total cpu time spent up to now is 28.3 secs Computing kpt #: 471 total cpu time spent up to now is 28.3 secs Computing kpt #: 472 total cpu time spent up to now is 28.4 secs Computing kpt #: 473 total cpu time spent up to now is 28.4 secs Computing kpt #: 474 total cpu time spent up to now is 28.5 secs Computing kpt #: 475 total cpu time spent up to now is 28.5 secs Computing kpt #: 476 total cpu time spent up to now is 28.6 secs Computing kpt #: 477 total cpu time spent up to now is 28.7 secs Computing kpt #: 478 total cpu time spent up to now is 28.7 secs Computing kpt #: 479 total cpu time spent up to now is 28.8 secs Computing kpt #: 480 total cpu time spent up to now is 28.8 secs Computing kpt #: 481 total cpu time spent up to now is 28.9 secs Computing kpt #: 482 total cpu time spent up to now is 28.9 secs Computing kpt #: 483 total cpu time spent up to now is 29.0 secs Computing kpt #: 484 total cpu time spent up to now is 29.0 secs Computing kpt #: 485 total cpu time spent up to now is 29.1 secs Computing kpt #: 486 total cpu time spent up to now is 29.2 secs Computing kpt #: 487 total cpu time spent up to now is 29.2 secs Computing kpt #: 488 total cpu time spent up to now is 29.3 secs Computing kpt #: 489 total cpu time spent up to now is 29.3 secs Computing kpt #: 490 total cpu time spent up to now is 29.4 secs Computing kpt #: 491 total cpu time spent up to now is 29.4 secs Computing kpt #: 492 total cpu time spent up to now is 29.5 secs Computing kpt #: 493 total cpu time spent up to now is 29.5 secs Computing kpt #: 494 total cpu time spent up to now is 29.6 secs Computing kpt #: 495 total cpu time spent up to now is 29.6 secs ethr = 5.56E-08, avg # of iterations = 7.8 total cpu time spent up to now is 29.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 609 PWs) bands (ev): -3.8556 -3.8556 -0.5330 -0.5330 -0.5330 -0.5330 -0.1148 -0.1148 -0.0504 -0.0504 -0.0504 -0.0504 13.1647 13.1647 13.2180 13.2180 13.2180 13.2180 16.2624 16.2624 28.5355 28.5355 28.5355 28.5355 28.5768 28.5768 k = 0.0067-0.0038 0.0054 ( 609 PWs) bands (ev): -3.8544 -3.8544 -0.5330 -0.5330 -0.5330 -0.5330 -0.1147 -0.1147 -0.0505 -0.0505 -0.0504 -0.0504 13.1617 13.1617 13.2133 13.2133 13.2168 13.2168 16.2703 16.2703 28.5122 28.5122 28.5222 28.5222 28.5624 28.5624 k = 0.0133-0.0077 0.0109 ( 609 PWs) bands (ev): -3.8508 -3.8508 -0.5330 -0.5330 -0.5330 -0.5330 -0.1146 -0.1146 -0.0510 -0.0510 -0.0503 -0.0503 13.1511 13.1511 13.2009 13.2009 13.2132 13.2132 16.2937 16.2937 28.4393 28.4393 28.4848 28.4848 28.5298 28.5298 k = 0.0200-0.0115 0.0163 ( 609 PWs) bands (ev): -3.8448 -3.8448 -0.5330 -0.5330 -0.5330 -0.5330 -0.1144 -0.1144 -0.0518 -0.0518 -0.0501 -0.0501 13.1287 13.1287 13.1856 13.1856 13.2073 13.2073 16.3319 16.3319 28.3267 28.3267 28.4286 28.4286 28.4849 28.4849 k = 0.0267-0.0154 0.0218 ( 609 PWs) bands (ev): -3.8364 -3.8364 -0.5331 -0.5331 -0.5330 -0.5330 -0.1142 -0.1142 -0.0529 -0.0529 -0.0499 -0.0499 13.0916 13.0916 13.1714 13.1714 13.1991 13.1991 16.3841 16.3841 28.1892 28.1892 28.3595 28.3595 28.4295 28.4295 k = 0.0333-0.0192 0.0272 ( 609 PWs) bands (ev): -3.8257 -3.8257 -0.5332 -0.5332 -0.5330 -0.5330 -0.1138 -0.1138 -0.0543 -0.0543 -0.0496 -0.0496 13.0415 13.0415 13.1575 13.1575 13.1885 13.1885 16.4491 16.4491 28.0367 28.0367 28.2823 28.2823 28.3663 28.3663 k = 0.0400-0.0231 0.0327 ( 609 PWs) bands (ev): -3.8126 -3.8126 -0.5333 -0.5333 -0.5330 -0.5330 -0.1134 -0.1134 -0.0559 -0.0559 -0.0493 -0.0493 12.9810 12.9810 13.1427 13.1427 13.1756 13.1756 16.5255 16.5255 27.8756 27.8756 28.2006 28.2006 28.2981 28.2981 k = 0.0467-0.0269 0.0381 ( 609 PWs) bands (ev): -3.7972 -3.7972 -0.5334 -0.5334 -0.5330 -0.5330 -0.1130 -0.1130 -0.0578 -0.0578 -0.0489 -0.0489 12.9121 12.9121 13.1263 13.1263 13.1604 13.1604 16.6120 16.6120 27.7095 27.7095 28.1167 28.1167 28.2272 28.2272 k = 0.0533-0.0308 0.0435 ( 609 PWs) bands (ev): -3.7794 -3.7794 -0.5336 -0.5336 -0.5330 -0.5330 -0.1124 -0.1124 -0.0599 -0.0599 -0.0484 -0.0484 12.8362 12.8362 13.1080 13.1080 13.1429 13.1429 16.7074 16.7074 27.5410 27.5410 28.0316 28.0316 28.1553 28.1553 k = 0.0600-0.0346 0.0490 ( 605 PWs) bands (ev): -3.7594 -3.7594 -0.5336 -0.5336 -0.5331 -0.5331 -0.1118 -0.1118 -0.0620 -0.0620 -0.0478 -0.0478 12.7549 12.7549 13.0876 13.0876 13.1233 13.1233 16.8104 16.8104 27.3715 27.3715 27.9454 27.9454 28.0840 28.0840 k = 0.0667-0.0385 0.0544 ( 605 PWs) bands (ev): -3.7370 -3.7370 -0.5338 -0.5338 -0.5331 -0.5331 -0.1112 -0.1112 -0.0645 -0.0645 -0.0472 -0.0472 12.6687 12.6687 13.0651 13.0651 13.1014 13.1014 16.9198 16.9198 27.2022 27.2022 27.8552 27.8552 28.0138 28.0138 k = 0.0733-0.0423 0.0599 ( 609 PWs) bands (ev): -3.7125 -3.7125 -0.5341 -0.5341 -0.5332 -0.5332 -0.1105 -0.1105 -0.0672 -0.0672 -0.0464 -0.0464 12.5787 12.5787 13.0405 13.0405 13.0774 13.0774 17.0346 17.0346 27.0336 27.0336 27.7504 27.7504 27.9456 27.9456 k = 0.0800-0.0462 0.0653 ( 605 PWs) bands (ev): -3.6857 -3.6857 -0.5342 -0.5342 -0.5332 -0.5332 -0.1097 -0.1097 -0.0698 -0.0698 -0.0455 -0.0455 12.4859 12.4859 13.0139 13.0139 13.0513 13.0513 17.1540 17.1540 26.8666 26.8666 27.6000 27.6000 27.8684 27.8684 k = 0.0867-0.0500 0.0708 ( 605 PWs) bands (ev): -3.6568 -3.6568 -0.5343 -0.5343 -0.5333 -0.5333 -0.1089 -0.1089 -0.0724 -0.0724 -0.0445 -0.0445 12.3907 12.3907 12.9852 12.9852 13.0231 13.0231 17.2770 17.2770 26.7010 26.7010 27.3804 27.3804 27.7454 27.7454 k = 0.0933-0.0539 0.0762 ( 609 PWs) bands (ev): -3.6258 -3.6258 -0.5346 -0.5346 -0.5335 -0.5335 -0.1081 -0.1081 -0.0751 -0.0751 -0.0435 -0.0435 12.2936 12.2936 12.9544 12.9544 12.9929 12.9929 17.4027 17.4027 26.5374 26.5374 27.1238 27.1238 27.6600 27.6600 k = 0.1000-0.0577 0.0816 ( 609 PWs) bands (ev): -3.5928 -3.5928 -0.5347 -0.5347 -0.5337 -0.5337 -0.1073 -0.1073 -0.0777 -0.0777 -0.0422 -0.0422 12.1953 12.1953 12.9217 12.9217 12.9607 12.9607 17.5305 17.5305 26.3759 26.3759 26.8540 26.8540 27.5905 27.5905 k = 0.1067-0.0616 0.0871 ( 605 PWs) bands (ev): -3.5577 -3.5577 -0.5347 -0.5347 -0.5338 -0.5338 -0.1063 -0.1063 -0.0801 -0.0801 -0.0408 -0.0408 12.0960 12.0960 12.8872 12.8872 12.9268 12.9268 17.6596 17.6596 26.2167 26.2167 26.5795 26.5795 27.5297 27.5297 k = 0.1133-0.0654 0.0925 ( 605 PWs) bands (ev): -3.5208 -3.5208 -0.5347 -0.5347 -0.5340 -0.5340 -0.1054 -0.1054 -0.0824 -0.0824 -0.0393 -0.0393 11.9960 11.9960 12.8509 12.8509 12.8910 12.8910 17.7892 17.7892 26.0599 26.0599 26.3035 26.3035 27.4752 27.4752 k = 0.1200-0.0693 0.0980 ( 597 PWs) bands (ev): -3.4819 -3.4819 -0.5345 -0.5345 -0.5341 -0.5341 -0.1043 -0.1043 -0.0844 -0.0844 -0.0375 -0.0375 11.8957 11.8957 12.8128 12.8128 12.8535 12.8535 17.9185 17.9185 25.9064 25.9064 26.0283 26.0283 27.4269 27.4269 k = 0.1267-0.0731 0.1034 ( 597 PWs) bands (ev): -3.4413 -3.4413 -0.5344 -0.5344 -0.5342 -0.5342 -0.1033 -0.1033 -0.0863 -0.0863 -0.0357 -0.0357 11.7951 11.7951 12.7730 12.7730 12.8142 12.8142 18.0468 18.0468 25.7545 25.7545 25.7555 25.7555 27.3827 27.3827 k = 0.1333-0.0770 0.1089 ( 597 PWs) bands (ev): -3.3990 -3.3990 -0.5348 -0.5348 -0.5337 -0.5337 -0.1024 -0.1024 -0.0877 -0.0877 -0.0337 -0.0337 11.6945 11.6945 12.7316 12.7316 12.7734 12.7734 18.1731 18.1731 25.4863 25.4863 25.6053 25.6053 27.3432 27.3432 k = 0.1400-0.0808 0.1143 ( 597 PWs) bands (ev): -3.3552 -3.3552 -0.5352 -0.5352 -0.5331 -0.5331 -0.1014 -0.1014 -0.0888 -0.0888 -0.0315 -0.0315 11.5940 11.5940 12.6886 12.6886 12.7310 12.7310 18.2965 18.2965 25.2220 25.2220 25.4588 25.4588 27.3082 27.3082 k = 0.1467-0.0847 0.1198 ( 597 PWs) bands (ev): -3.3098 -3.3098 -0.5356 -0.5356 -0.5320 -0.5320 -0.1004 -0.1004 -0.0895 -0.0895 -0.0292 -0.0292 11.4938 11.4938 12.6442 12.6442 12.6872 12.6872 18.4161 18.4161 24.9640 24.9640 25.3149 25.3149 27.2776 27.2776 k = 0.1533-0.0885 0.1252 ( 597 PWs) bands (ev): -3.2631 -3.2631 -0.5361 -0.5361 -0.5306 -0.5306 -0.0994 -0.0994 -0.0896 -0.0896 -0.0267 -0.0267 11.3938 11.3938 12.5985 12.5985 12.6421 12.6421 18.5304 18.5304 24.7137 24.7137 25.1737 25.1737 27.2513 27.2513 k = 0.1600-0.0924 0.1306 ( 597 PWs) bands (ev): -3.2152 -3.2152 -0.5366 -0.5366 -0.5288 -0.5288 -0.0984 -0.0984 -0.0892 -0.0892 -0.0240 -0.0240 11.2942 11.2942 12.5515 12.5515 12.5956 12.5956 18.6382 18.6382 24.4725 24.4725 25.0353 25.0353 27.2292 27.2292 k = 0.1667-0.0962 0.1361 ( 597 PWs) bands (ev): -3.1663 -3.1663 -0.5373 -0.5373 -0.5264 -0.5264 -0.0974 -0.0974 -0.0881 -0.0881 -0.0211 -0.0211 11.1949 11.1949 12.5032 12.5032 12.5480 12.5480 18.7379 18.7379 24.2423 24.2423 24.8996 24.8996 27.2112 27.2112 k = 0.1733-0.1001 0.1415 ( 597 PWs) bands (ev): -3.1164 -3.1164 -0.5379 -0.5379 -0.5233 -0.5233 -0.0963 -0.0963 -0.0863 -0.0863 -0.0181 -0.0181 11.0961 11.0961 12.4539 12.4539 12.4993 12.4993 18.8276 18.8276 24.0249 24.0249 24.7667 24.7667 27.1973 27.1973 k = 0.1800-0.1039 0.1470 ( 596 PWs) bands (ev): -3.0658 -3.0658 -0.5387 -0.5387 -0.5194 -0.5194 -0.0953 -0.0953 -0.0837 -0.0837 -0.0149 -0.0149 10.9977 10.9977 12.4036 12.4036 12.4496 12.4496 18.9053 18.9053 23.8224 23.8224 24.6365 24.6365 27.1872 27.1872 k = 0.1867-0.1078 0.1524 ( 596 PWs) bands (ev): -3.0146 -3.0146 -0.5395 -0.5395 -0.5146 -0.5146 -0.0942 -0.0942 -0.0803 -0.0803 -0.0115 -0.0115 10.8997 10.8997 12.3524 12.3524 12.3990 12.3990 18.9688 18.9688 23.6372 23.6372 24.5091 24.5091 27.1810 27.1810 k = 0.1933-0.1116 0.1579 ( 604 PWs) bands (ev): -2.9632 -2.9632 -0.5404 -0.5404 -0.5090 -0.5090 -0.0932 -0.0932 -0.0760 -0.0760 -0.0081 -0.0081 10.8016 10.8016 12.3004 12.3004 12.3476 12.3476 19.0154 19.0154 23.4717 23.4717 24.3845 24.3845 27.1782 27.1782 k = 0.2000-0.1155 0.1633 ( 604 PWs) bands (ev): -2.9116 -2.9116 -0.5413 -0.5413 -0.5020 -0.5020 -0.0921 -0.0921 -0.0705 -0.0705 -0.0044 -0.0044 10.7042 10.7042 12.2477 12.2477 12.2955 12.2955 19.0434 19.0434 23.3282 23.3282 24.2626 24.2626 27.1792 27.1792 k = 0.2067-0.1193 0.1687 ( 604 PWs) bands (ev): -2.8602 -2.8602 -0.5423 -0.5423 -0.4939 -0.4939 -0.0909 -0.0909 -0.0639 -0.0639 -0.0005 -0.0005 10.6070 10.6070 12.1944 12.1944 12.2427 12.2427 19.0504 19.0504 23.2089 23.2089 24.1436 24.1436 27.1838 27.1838 k = 0.2133-0.1232 0.1742 ( 600 PWs) bands (ev): -2.8091 -2.8091 -0.5434 -0.5434 -0.4843 -0.4843 -0.0897 -0.0897 -0.0558 -0.0558 0.0036 0.0036 10.5101 10.5101 12.1406 12.1406 12.1895 12.1895 19.0350 19.0350 23.1153 23.1153 24.0273 24.0273 27.1919 27.1919 k = 0.2200-0.1270 0.1796 ( 600 PWs) bands (ev): -2.7587 -2.7587 -0.5445 -0.5445 -0.4734 -0.4734 -0.0885 -0.0885 -0.0462 -0.0462 0.0078 0.0078 10.4132 10.4132 12.0863 12.0863 12.1358 12.1358 18.9965 18.9965 23.0481 23.0481 23.9138 23.9138 27.2030 27.2030 k = 0.2267-0.1309 0.1851 ( 592 PWs) bands (ev): -2.7092 -2.7092 -0.5456 -0.5456 -0.4609 -0.4609 -0.0872 -0.0872 -0.0348 -0.0348 0.0122 0.0122 10.3164 10.3164 12.0320 12.0320 12.0820 12.0820 18.9351 18.9351 23.0073 23.0073 23.8035 23.8035 27.2173 27.2173 k = 0.2333-0.1347 0.1905 ( 592 PWs) bands (ev): -2.6609 -2.6609 -0.5468 -0.5468 -0.4470 -0.4470 -0.0859 -0.0859 -0.0214 -0.0214 0.0166 0.0166 10.2196 10.2196 11.9772 11.9772 12.0277 12.0277 18.8518 18.8518 22.9916 22.9916 23.6956 23.6956 27.2345 27.2345 k = 0.2400-0.1386 0.1960 ( 592 PWs) bands (ev): -2.6140 -2.6140 -0.5482 -0.5482 -0.4318 -0.4318 -0.0847 -0.0847 -0.0056 -0.0056 0.0212 0.0212 10.1226 10.1226 11.9222 11.9222 11.9733 11.9733 18.7486 18.7486 22.9992 22.9992 23.5904 23.5904 27.2545 27.2545 k = 0.2467-0.1424 0.2014 ( 592 PWs) bands (ev): -2.5689 -2.5689 -0.5496 -0.5496 -0.4152 -0.4152 -0.0834 -0.0834 0.0129 0.0129 0.0258 0.0258 10.0253 10.0253 11.8673 11.8673 11.9189 11.9189 18.6281 18.6281 23.0275 23.0275 23.4880 23.4880 27.2773 27.2773 k = 0.2533-0.1463 0.2068 ( 592 PWs) bands (ev): -2.5258 -2.5258 -0.5510 -0.5510 -0.3977 -0.3977 -0.0820 -0.0820 0.0306 0.0306 0.0347 0.0347 9.9278 9.9278 11.8125 11.8125 11.8646 11.8646 18.4931 18.4931 23.0739 23.0739 23.3883 23.3883 27.3026 27.3026 k = 0.2600-0.1501 0.2123 ( 592 PWs) bands (ev): -2.4849 -2.4849 -0.5525 -0.5525 -0.3793 -0.3793 -0.0807 -0.0807 0.0354 0.0354 0.0601 0.0601 9.8298 9.8298 11.7578 11.7578 11.8104 11.8104 18.3463 18.3463 23.1355 23.1355 23.2915 23.2915 27.3303 27.3303 k = 0.2667-0.1540 0.2177 ( 592 PWs) bands (ev): -2.4463 -2.4463 -0.5541 -0.5541 -0.3605 -0.3605 -0.0793 -0.0793 0.0404 0.0404 0.0898 0.0898 9.7312 9.7312 11.7033 11.7033 11.7564 11.7564 18.1902 18.1902 23.1973 23.1973 23.2099 23.2099 27.3602 27.3602 k = 0.2733-0.1578 0.2232 ( 612 PWs) bands (ev): -2.4104 -2.4104 -0.5560 -0.5560 -0.3420 -0.3420 -0.0782 -0.0782 0.0450 0.0450 0.1240 0.1240 9.6319 9.6319 11.6490 11.6490 11.7025 11.7025 18.0273 18.0273 23.1054 23.1054 23.2944 23.2944 27.3919 27.3919 k = 0.2800-0.1617 0.2286 ( 612 PWs) bands (ev): -2.3771 -2.3771 -0.5576 -0.5576 -0.3235 -0.3235 -0.0768 -0.0768 0.0501 0.0501 0.1636 0.1636 9.5319 9.5319 11.5954 11.5954 11.6493 11.6493 17.8597 17.8597 23.0168 23.0168 23.3875 23.3875 27.4259 27.4259 k = 0.2867-0.1655 0.2341 ( 612 PWs) bands (ev): -2.3465 -2.3465 -0.5593 -0.5593 -0.3055 -0.3055 -0.0754 -0.0754 0.0552 0.0552 0.2086 0.2086 9.4311 9.4311 11.5423 11.5423 11.5967 11.5967 17.6891 17.6891 22.9308 22.9308 23.4871 23.4871 27.4617 27.4617 k = 0.2933-0.1694 0.2395 ( 612 PWs) bands (ev): -2.3188 -2.3188 -0.5610 -0.5610 -0.2884 -0.2884 -0.0739 -0.0739 0.0604 0.0604 0.2594 0.2594 9.3294 9.3294 11.4899 11.4899 11.5446 11.5446 17.5171 17.5171 22.8476 22.8476 23.5918 23.5918 27.4990 27.4990 k = 0.3000-0.1732 0.2449 ( 612 PWs) bands (ev): -2.2938 -2.2938 -0.5628 -0.5628 -0.2722 -0.2722 -0.0725 -0.0725 0.0656 0.0656 0.3159 0.3159 9.2265 9.2265 11.4382 11.4382 11.4933 11.4933 17.3450 17.3450 22.7672 22.7672 23.7002 23.7002 27.5378 27.5378 k = 0.3067-0.1771 0.2504 ( 612 PWs) bands (ev): -2.2715 -2.2715 -0.5646 -0.5646 -0.2571 -0.2571 -0.0710 -0.0710 0.0708 0.0708 0.3782 0.3782 9.1226 9.1226 11.3873 11.3873 11.4427 11.4427 17.1738 17.1738 22.6894 22.6894 23.8113 23.8113 27.5778 27.5778 k = 0.3133-0.1809 0.2558 ( 612 PWs) bands (ev): -2.2519 -2.2519 -0.5664 -0.5664 -0.2431 -0.2431 -0.0696 -0.0696 0.0760 0.0760 0.4462 0.4462 9.0175 9.0175 11.3372 11.3372 11.3931 11.3931 17.0045 17.0045 22.6144 22.6144 23.9241 23.9241 27.6189 27.6189 k = 0.3200-0.1848 0.2613 ( 620 PWs) bands (ev): -2.2349 -2.2349 -0.5683 -0.5683 -0.2301 -0.2301 -0.0683 -0.0683 0.0811 0.0811 0.5194 0.5194 8.9111 8.9111 11.2880 11.2880 11.3442 11.3442 16.8380 16.8380 22.5416 22.5416 24.0377 24.0377 27.6608 27.6608 k = 0.3267-0.1886 0.2667 ( 620 PWs) bands (ev): -2.2201 -2.2201 -0.5701 -0.5701 -0.2180 -0.2180 -0.0669 -0.0669 0.0863 0.0863 0.5977 0.5977 8.8034 8.8034 11.2400 11.2400 11.2965 11.2965 16.6748 16.6748 22.4720 22.4720 24.1515 24.1515 27.7035 27.7035 k = 0.3333-0.1925 0.2722 ( 624 PWs) bands (ev): -2.2076 -2.2076 -0.5719 -0.5719 -0.2068 -0.2068 -0.0655 -0.0655 0.0914 0.0914 0.6807 0.6807 8.6945 8.6945 11.1931 11.1931 11.2499 11.2499 16.5155 16.5155 22.4050 22.4050 24.2648 24.2648 27.7468 27.7468 k = 0.3400-0.1963 0.2776 ( 624 PWs) bands (ev): -2.1971 -2.1971 -0.5737 -0.5737 -0.1964 -0.1964 -0.0640 -0.0640 0.0965 0.0965 0.7681 0.7681 8.5843 8.5843 11.1475 11.1475 11.2045 11.2045 16.3608 16.3608 22.3407 22.3407 24.3772 24.3772 27.7904 27.7904 k = 0.3467-0.2001 0.2831 ( 624 PWs) bands (ev): -2.1884 -2.1884 -0.5755 -0.5755 -0.1867 -0.1867 -0.0626 -0.0626 0.1016 0.1016 0.8594 0.8594 8.4728 8.4728 11.1031 11.1031 11.1604 11.1604 16.2109 16.2109 22.2791 22.2791 24.4880 24.4880 27.8342 27.8342 k = 0.3533-0.2040 0.2885 ( 624 PWs) bands (ev): -2.1814 -2.1814 -0.5773 -0.5773 -0.1776 -0.1776 -0.0613 -0.0613 0.1065 0.1065 0.9542 0.9542 8.3602 8.3602 11.0600 11.0600 11.1176 11.1176 16.0663 16.0663 22.2202 22.2202 24.5970 24.5970 27.8780 27.8780 k = 0.3600-0.2078 0.2939 ( 624 PWs) bands (ev): -2.1759 -2.1759 -0.5790 -0.5790 -0.1691 -0.1691 -0.0599 -0.0599 0.1114 0.1114 1.0522 1.0522 8.2465 8.2465 11.0184 11.0184 11.0762 11.0762 15.9272 15.9272 22.1640 22.1640 24.7036 24.7036 27.9216 27.9216 k = 0.3667-0.2117 0.2994 ( 624 PWs) bands (ev): -2.1717 -2.1717 -0.5807 -0.5807 -0.1611 -0.1611 -0.0586 -0.0586 0.1161 0.1161 1.1530 1.1530 8.1318 8.1318 10.9782 10.9782 11.0362 11.0362 15.7940 15.7940 22.1104 22.1104 24.8075 24.8075 27.9647 27.9647 k = 0.3733-0.2155 0.3048 ( 616 PWs) bands (ev): -2.1683 -2.1683 -0.5824 -0.5824 -0.1535 -0.1535 -0.0573 -0.0573 0.1209 0.1209 1.2560 1.2560 8.0164 8.0164 10.9397 10.9397 10.9979 10.9979 15.6668 15.6668 22.0594 22.0594 24.9087 24.9087 28.0073 28.0073 k = 0.3800-0.2194 0.3103 ( 616 PWs) bands (ev): -2.1662 -2.1662 -0.5840 -0.5840 -0.1465 -0.1465 -0.0560 -0.0560 0.1254 0.1254 1.3609 1.3609 7.9005 7.9005 10.9027 10.9027 10.9611 10.9611 15.5458 15.5458 22.0111 22.0111 25.0063 25.0063 28.0491 28.0491 k = 0.3867-0.2232 0.3157 ( 620 PWs) bands (ev): -2.1653 -2.1653 -0.5856 -0.5856 -0.1399 -0.1399 -0.0549 -0.0549 0.1297 0.1297 1.4670 1.4670 7.7841 7.7841 10.8673 10.8673 10.9259 10.9259 15.4311 15.4311 21.9655 21.9655 25.0997 25.0997 28.0900 28.0900 k = 0.3933-0.2271 0.3212 ( 620 PWs) bands (ev): -2.1649 -2.1649 -0.5871 -0.5871 -0.1337 -0.1337 -0.0537 -0.0537 0.1339 0.1339 1.5741 1.5741 7.6679 7.6679 10.8337 10.8337 10.8924 10.8924 15.3230 15.3230 21.9225 21.9225 25.1896 25.1896 28.1297 28.1297 k = 0.4000-0.2309 0.3266 ( 620 PWs) bands (ev): -2.1650 -2.1650 -0.5885 -0.5885 -0.1279 -0.1279 -0.0526 -0.0526 0.1379 0.1379 1.6816 1.6816 7.5523 7.5523 10.8019 10.8019 10.8607 10.8607 15.2213 15.2213 21.8821 21.8821 25.2754 25.2754 28.1681 28.1681 k = 0.4067-0.2348 0.3320 ( 620 PWs) bands (ev): -2.1656 -2.1656 -0.5899 -0.5899 -0.1225 -0.1225 -0.0516 -0.0516 0.1417 0.1417 1.7889 1.7889 7.4376 7.4376 10.7718 10.7718 10.8308 10.8308 15.1263 15.1263 21.8443 21.8443 25.3568 25.3568 28.2049 28.2049 k = 0.4133-0.2386 0.3375 ( 620 PWs) bands (ev): -2.1666 -2.1666 -0.5912 -0.5912 -0.1175 -0.1175 -0.0506 -0.0506 0.1453 0.1453 1.8953 1.8953 7.3244 7.3244 10.7437 10.7437 10.8028 10.8028 15.0379 15.0379 21.8092 21.8092 25.4336 25.4336 28.2401 28.2401 k = 0.4200-0.2425 0.3429 ( 620 PWs) bands (ev): -2.1679 -2.1679 -0.5925 -0.5925 -0.1128 -0.1128 -0.0497 -0.0497 0.1487 0.1487 2.0001 2.0001 7.2132 7.2132 10.7174 10.7174 10.7766 10.7766 14.9562 14.9562 21.7767 21.7767 25.5055 25.5055 28.2734 28.2734 k = 0.4267-0.2463 0.3484 ( 620 PWs) bands (ev): -2.1694 -2.1694 -0.5936 -0.5936 -0.1086 -0.1086 -0.0488 -0.0488 0.1519 0.1519 2.1027 2.1027 7.1049 7.1049 10.6931 10.6931 10.7524 10.7524 14.8811 14.8811 21.7468 21.7468 25.5725 25.5725 28.3048 28.3048 k = 0.4333-0.2502 0.3538 ( 620 PWs) bands (ev): -2.1710 -2.1710 -0.5947 -0.5947 -0.1047 -0.1047 -0.0480 -0.0480 0.1548 0.1548 2.2021 2.2021 7.0002 7.0002 10.6708 10.6708 10.7302 10.7302 14.8127 14.8127 21.7195 21.7195 25.6342 25.6342 28.3339 28.3339 k = 0.4400-0.2540 0.3593 ( 620 PWs) bands (ev): -2.1726 -2.1726 -0.5957 -0.5957 -0.1011 -0.1011 -0.0473 -0.0473 0.1575 0.1575 2.2975 2.2975 6.9001 6.9001 10.6505 10.6505 10.7100 10.7100 14.7509 14.7509 21.6949 21.6949 25.6906 25.6906 28.3608 28.3608 k = 0.4467-0.2579 0.3647 ( 620 PWs) bands (ev): -2.1743 -2.1743 -0.5965 -0.5965 -0.0980 -0.0980 -0.0466 -0.0466 0.1599 0.1599 2.3878 2.3878 6.8056 6.8056 10.6322 10.6322 10.6918 10.6918 14.6958 14.6958 21.6728 21.6728 25.7414 25.7414 28.3852 28.3852 k = 0.4533-0.2617 0.3701 ( 620 PWs) bands (ev): -2.1758 -2.1758 -0.5973 -0.5973 -0.0952 -0.0952 -0.0460 -0.0460 0.1621 0.1621 2.4718 2.4718 6.7178 6.7178 10.6160 10.6160 10.6757 10.6757 14.6472 14.6472 21.6534 21.6534 25.7866 25.7866 28.4071 28.4071 k = 0.4600-0.2656 0.3756 ( 620 PWs) bands (ev): -2.1773 -2.1773 -0.5980 -0.5980 -0.0927 -0.0927 -0.0455 -0.0455 0.1640 0.1640 2.5483 2.5483 6.6379 6.6379 10.6020 10.6020 10.6617 10.6617 14.6052 14.6052 21.6365 21.6365 25.8260 25.8260 28.4262 28.4262 k = 0.4667-0.2694 0.3810 ( 620 PWs) bands (ev): -2.1786 -2.1786 -0.5986 -0.5986 -0.0907 -0.0907 -0.0451 -0.0451 0.1656 0.1656 2.6161 2.6161 6.5673 6.5673 10.5900 10.5900 10.6498 10.6498 14.5697 14.5697 21.6222 21.6222 25.8596 25.8596 28.4426 28.4426 k = 0.4733-0.2733 0.3865 ( 628 PWs) bands (ev): -2.1798 -2.1798 -0.5991 -0.5991 -0.0891 -0.0891 -0.0448 -0.0448 0.1668 0.1668 2.6739 2.6739 6.5070 6.5070 10.5802 10.5802 10.6400 10.6400 14.5407 14.5407 21.6105 21.6105 25.8868 25.8868 28.4561 28.4561 k = 0.4800-0.2771 0.3919 ( 628 PWs) bands (ev): -2.1807 -2.1807 -0.5995 -0.5995 -0.0878 -0.0878 -0.0445 -0.0445 0.1678 0.1678 2.7203 2.7203 6.4587 6.4587 10.5726 10.5726 10.6324 10.6324 14.5182 14.5182 21.6014 21.6014 25.9083 25.9083 28.4667 28.4667 k = 0.4867-0.2810 0.3974 ( 628 PWs) bands (ev): -2.1814 -2.1814 -0.5998 -0.5998 -0.0869 -0.0869 -0.0443 -0.0443 0.1686 0.1686 2.7545 2.7545 6.4233 6.4233 10.5671 10.5671 10.6270 10.6270 14.5021 14.5021 21.5949 21.5949 25.9237 25.9237 28.4743 28.4743 k = 0.4933-0.2848 0.4028 ( 628 PWs) bands (ev): -2.1818 -2.1818 -0.5999 -0.5999 -0.0863 -0.0863 -0.0442 -0.0442 0.1690 0.1690 2.7753 2.7753 6.4016 6.4016 10.5639 10.5639 10.6237 10.6237 14.4925 14.4925 21.5911 21.5911 25.9330 25.9330 28.4789 28.4789 k = 0.5000-0.2887 0.4082 ( 620 PWs) bands (ev): -2.1818 -2.1818 -0.5999 -0.5999 -0.0860 -0.0860 -0.0441 -0.0441 0.1693 0.1693 2.7823 2.7823 6.3944 6.3944 10.5628 10.5628 10.6227 10.6227 14.4893 14.4893 21.5899 21.5899 25.9365 25.9365 28.4805 28.4805 k = 0.5000-0.2887 0.4082 ( 620 PWs) bands (ev): -2.1818 -2.1818 -0.5999 -0.5999 -0.0860 -0.0860 -0.0441 -0.0441 0.1693 0.1693 2.7823 2.7823 6.3944 6.3944 10.5628 10.5628 10.6227 10.6227 14.4893 14.4893 21.5899 21.5899 25.9365 25.9365 28.4805 28.4805 k = 0.5000-0.2811 0.4136 ( 624 PWs) bands (ev): -2.1814 -2.1814 -0.5999 -0.5999 -0.0862 -0.0862 -0.0443 -0.0443 0.1690 0.1690 2.7819 2.7819 6.3958 6.3958 10.5593 10.5593 10.6191 10.6191 14.4972 14.4972 21.5929 21.5929 25.9351 25.9351 28.4782 28.4782 k = 0.5000-0.2735 0.4190 ( 628 PWs) bands (ev): -2.1799 -2.1799 -0.5997 -0.5997 -0.0868 -0.0868 -0.0448 -0.0448 0.1684 0.1684 2.7807 2.7807 6.4003 6.4003 10.5486 10.5486 10.6085 10.6085 14.5207 14.5207 21.6018 21.6018 25.9311 25.9311 28.4700 28.4700 k = 0.5000-0.2659 0.4244 ( 628 PWs) bands (ev): -2.1774 -2.1774 -0.5993 -0.5993 -0.0875 -0.0875 -0.0456 -0.0456 0.1675 0.1675 2.7787 2.7787 6.4076 6.4076 10.5304 10.5304 10.5918 10.5918 14.5596 14.5596 21.6169 21.6169 25.9249 25.9249 28.4524 28.4524 k = 0.5000-0.2583 0.4297 ( 628 PWs) bands (ev): -2.1739 -2.1739 -0.5988 -0.5988 -0.0886 -0.0886 -0.0468 -0.0468 0.1663 0.1663 2.7760 2.7760 6.4180 6.4180 10.5044 10.5044 10.5701 10.5701 14.6131 14.6131 21.6379 21.6379 25.9163 25.9163 28.4210 28.4210 k = 0.5000-0.2507 0.4351 ( 624 PWs) bands (ev): -2.1693 -2.1693 -0.5981 -0.5981 -0.0901 -0.0901 -0.0481 -0.0481 0.1647 0.1647 2.7725 2.7725 6.4312 6.4312 10.4705 10.4705 10.5440 10.5440 14.6805 14.6805 21.6649 21.6649 25.9052 25.9052 28.3734 28.3734 k = 0.5000-0.2431 0.4405 ( 624 PWs) bands (ev): -2.1639 -2.1639 -0.5974 -0.5974 -0.0920 -0.0920 -0.0497 -0.0497 0.1627 0.1627 2.7682 2.7682 6.4474 6.4474 10.4293 10.4293 10.5140 10.5140 14.7608 14.7608 21.6973 21.6973 25.8917 25.8917 28.3090 28.3090 k = 0.5000-0.2355 0.4459 ( 624 PWs) bands (ev): -2.1575 -2.1575 -0.5965 -0.5965 -0.0943 -0.0943 -0.0515 -0.0515 0.1605 0.1605 2.7632 2.7632 6.4664 6.4664 10.3817 10.3817 10.4803 10.4803 14.8531 14.8531 21.7352 21.7352 25.8757 25.8757 28.2296 28.2296 k = 0.5000-0.2279 0.4512 ( 624 PWs) bands (ev): -2.1503 -2.1503 -0.5954 -0.5954 -0.0970 -0.0970 -0.0534 -0.0534 0.1579 0.1579 2.7576 2.7576 6.4883 6.4883 10.3289 10.3289 10.4427 10.4427 14.9564 14.9564 21.7785 21.7785 25.8572 25.8572 28.1366 28.1366 k = 0.5000-0.2203 0.4566 ( 620 PWs) bands (ev): -2.1421 -2.1421 -0.5943 -0.5943 -0.1002 -0.1002 -0.0554 -0.0554 0.1551 0.1551 2.7513 2.7513 6.5131 6.5131 10.2719 10.2719 10.4012 10.4012 15.0697 15.0697 21.8269 21.8269 25.8366 25.8366 28.0314 28.0314 k = 0.5000-0.2127 0.4620 ( 620 PWs) bands (ev): -2.1331 -2.1331 -0.5930 -0.5930 -0.1040 -0.1040 -0.0575 -0.0575 0.1520 0.1520 2.7444 2.7444 6.5407 6.5407 10.2117 10.2117 10.3560 10.3560 15.1921 15.1921 21.8801 21.8801 25.8133 25.8133 27.9149 27.9149 k = 0.5000-0.2051 0.4673 ( 620 PWs) bands (ev): -2.1234 -2.1234 -0.5916 -0.5916 -0.1083 -0.1083 -0.0596 -0.0596 0.1486 0.1486 2.7369 2.7369 6.5709 6.5709 10.1492 10.1492 10.3070 10.3070 15.3226 15.3226 21.9380 21.9380 25.7876 25.7876 27.7881 27.7881 k = 0.5000-0.1975 0.4727 ( 620 PWs) bands (ev): -2.1129 -2.1129 -0.5902 -0.5902 -0.1132 -0.1132 -0.0617 -0.0617 0.1450 0.1450 2.7289 2.7289 6.6040 6.6040 10.0852 10.0852 10.2545 10.2545 15.4604 15.4604 22.0002 22.0002 25.7595 25.7595 27.6521 27.6521 k = 0.5000-0.1899 0.4781 ( 620 PWs) bands (ev): -2.1017 -2.1017 -0.5886 -0.5886 -0.1185 -0.1185 -0.0637 -0.0637 0.1413 0.1413 2.7204 2.7204 6.6396 6.6396 10.0204 10.0204 10.1985 10.1985 15.6047 15.6047 22.0665 22.0665 25.7290 25.7290 27.5075 27.5075 k = 0.5000-0.1823 0.4835 ( 620 PWs) bands (ev): -2.0898 -2.0898 -0.5869 -0.5869 -0.1243 -0.1243 -0.0658 -0.0658 0.1373 0.1373 2.7115 2.7115 6.6780 6.6780 9.9553 9.9553 10.1393 10.1393 15.7549 15.7549 22.1366 22.1366 25.6961 25.6961 27.3554 27.3554 k = 0.5000-0.1747 0.4888 ( 620 PWs) bands (ev): -2.0774 -2.0774 -0.5852 -0.5852 -0.1306 -0.1306 -0.0679 -0.0679 0.1332 0.1332 2.7022 2.7022 6.7189 6.7189 9.8905 9.8905 10.0770 10.0770 15.9101 15.9101 22.2102 22.2102 25.6608 25.6608 27.1964 27.1964 k = 0.5000-0.1671 0.4942 ( 614 PWs) bands (ev): -2.0644 -2.0644 -0.5834 -0.5834 -0.1372 -0.1372 -0.0698 -0.0698 0.1291 0.1291 2.6927 2.6927 6.7623 6.7623 9.8264 9.8264 10.0119 10.0119 16.0698 16.0698 22.2876 22.2876 25.6234 25.6234 27.0313 27.0313 k = 0.5000-0.1595 0.4996 ( 614 PWs) bands (ev): -2.0510 -2.0510 -0.5816 -0.5816 -0.1442 -0.1442 -0.0719 -0.0719 0.1248 0.1248 2.6829 2.6829 6.8083 6.8083 9.7635 9.7635 9.9441 9.9441 16.2334 16.2334 22.3673 22.3673 25.5834 25.5834 26.8611 26.8611 k = 0.5000-0.1519 0.5049 ( 614 PWs) bands (ev): -2.0373 -2.0373 -0.5797 -0.5797 -0.1515 -0.1515 -0.0740 -0.0740 0.1205 0.1205 2.6729 2.6729 6.8566 6.8566 9.7020 9.7020 9.8738 9.8738 16.4001 16.4001 22.4497 22.4497 25.5411 25.5411 26.6864 26.6864 k = 0.5000-0.1443 0.5103 ( 614 PWs) bands (ev): -2.0233 -2.0233 -0.5779 -0.5779 -0.1590 -0.1590 -0.0762 -0.0762 0.1162 0.1162 2.6629 2.6629 6.9073 6.9073 9.6423 9.6423 9.8013 9.8013 16.5695 16.5695 22.5343 22.5343 25.4964 25.4964 26.5081 26.5081 k = 0.5000-0.1367 0.5157 ( 614 PWs) bands (ev): -2.0091 -2.0091 -0.5760 -0.5760 -0.1667 -0.1667 -0.0783 -0.0783 0.1119 0.1119 2.6528 2.6528 6.9603 6.9603 9.5847 9.5847 9.7268 9.7268 16.7409 16.7409 22.6210 22.6210 25.4493 25.4493 26.3270 26.3270 k = 0.5000-0.1291 0.5211 ( 614 PWs) bands (ev): -1.9949 -1.9949 -0.5743 -0.5743 -0.1744 -0.1744 -0.0805 -0.0805 0.1077 0.1077 2.6427 2.6427 7.0156 7.0156 9.5292 9.5292 9.6503 9.6503 16.9138 16.9138 22.7092 22.7092 25.3999 25.3999 26.1439 26.1439 k = 0.5000-0.1215 0.5264 ( 614 PWs) bands (ev): -1.9806 -1.9806 -0.5724 -0.5724 -0.1822 -0.1822 -0.0828 -0.0828 0.1036 0.1036 2.6327 2.6327 7.0730 7.0730 9.4761 9.4761 9.5723 9.5723 17.0873 17.0873 22.7991 22.7991 25.3481 25.3481 25.9598 25.9598 k = 0.5000-0.1140 0.5318 ( 618 PWs) bands (ev): -1.9664 -1.9664 -0.5708 -0.5708 -0.1900 -0.1900 -0.0851 -0.0851 0.0995 0.0995 2.6229 2.6229 7.1326 7.1326 9.4254 9.4254 9.4931 9.4931 17.2608 17.2608 22.8897 22.8897 25.2934 25.2934 25.7757 25.7757 k = 0.5000-0.1064 0.5372 ( 618 PWs) bands (ev): -1.9524 -1.9524 -0.5690 -0.5690 -0.1977 -0.1977 -0.0874 -0.0874 0.0956 0.0956 2.6134 2.6134 7.1942 7.1942 9.3766 9.3766 9.4134 9.4134 17.4336 17.4336 22.9817 22.9817 25.2362 25.2362 25.5930 25.5930 k = 0.5000-0.0988 0.5425 ( 618 PWs) bands (ev): -1.9387 -1.9387 -0.5674 -0.5674 -0.2052 -0.2052 -0.0897 -0.0897 0.0919 0.0919 2.6042 2.6042 7.2578 7.2578 9.3218 9.3218 9.3416 9.3416 17.6048 17.6048 23.0744 23.0744 25.1751 25.1751 25.4135 25.4135 k = 0.5000-0.0912 0.5479 ( 618 PWs) bands (ev): -1.9255 -1.9255 -0.5659 -0.5659 -0.2125 -0.2125 -0.0921 -0.0921 0.0884 0.0884 2.5953 2.5953 7.3233 7.3233 9.2440 9.2440 9.2948 9.2948 17.7735 17.7735 23.1675 23.1675 25.1062 25.1062 25.2425 25.2425 k = 0.5000-0.0836 0.5533 ( 618 PWs) bands (ev): -1.9127 -1.9127 -0.5644 -0.5644 -0.2194 -0.2194 -0.0944 -0.0944 0.0852 0.0852 2.5869 2.5869 7.3906 7.3906 9.1611 9.1611 9.2553 9.2553 17.9385 17.9385 23.2607 23.2607 25.0083 25.0083 25.1024 25.1024 k = 0.5000-0.0760 0.5587 ( 618 PWs) bands (ev): -1.9006 -1.9006 -0.5631 -0.5631 -0.2260 -0.2260 -0.0966 -0.0966 0.0821 0.0821 2.5790 2.5790 7.4597 7.4597 9.0770 9.0770 9.2196 9.2196 18.0988 18.0988 23.3539 23.3539 24.8617 24.8617 25.0142 25.0142 k = 0.5000-0.0684 0.5640 ( 614 PWs) bands (ev): -1.8892 -1.8892 -0.5619 -0.5619 -0.2321 -0.2321 -0.0987 -0.0987 0.0794 0.0794 2.5717 2.5717 7.5305 7.5305 8.9924 8.9924 9.1872 9.1872 18.2529 18.2529 23.4469 23.4469 24.7044 24.7044 24.9417 24.9417 k = 0.5000-0.0608 0.5694 ( 610 PWs) bands (ev): -1.8787 -1.8787 -0.5608 -0.5608 -0.2377 -0.2377 -0.1007 -0.1007 0.0769 0.0769 2.5650 2.5650 7.6028 7.6028 8.9074 8.9074 9.1583 9.1583 18.3992 18.3992 23.5395 23.5395 24.5520 24.5520 24.8711 24.8711 k = 0.5000-0.0532 0.5748 ( 610 PWs) bands (ev): -1.8691 -1.8691 -0.5599 -0.5599 -0.2428 -0.2428 -0.1026 -0.1026 0.0747 0.0747 2.5589 2.5589 7.6767 7.6767 8.8222 8.8222 9.1326 9.1326 18.5358 18.5358 23.6311 23.6311 24.4089 24.4089 24.7996 24.7996 k = 0.5000-0.0456 0.5801 ( 610 PWs) bands (ev): -1.8606 -1.8606 -0.5591 -0.5591 -0.2474 -0.2474 -0.1044 -0.1044 0.0728 0.0728 2.5536 2.5536 7.7520 7.7520 8.7369 8.7369 9.1103 9.1103 18.6609 18.6609 23.7216 23.7216 24.2782 24.2782 24.7267 24.7267 k = 0.5000-0.0380 0.5855 ( 612 PWs) bands (ev): -1.8533 -1.8533 -0.5585 -0.5585 -0.2513 -0.2513 -0.1059 -0.1059 0.0711 0.0711 2.5490 2.5490 7.8286 7.8286 8.6517 8.6517 9.0913 9.0913 18.7722 18.7722 23.8099 23.8099 24.1630 24.1630 24.6521 24.6521 k = 0.5000-0.0304 0.5909 ( 612 PWs) bands (ev): -1.8471 -1.8471 -0.5580 -0.5580 -0.2546 -0.2546 -0.1072 -0.1072 0.0697 0.0697 2.5452 2.5452 7.9065 7.9065 8.5669 8.5669 9.0758 9.0758 18.8676 18.8676 23.8933 23.8933 24.0687 24.0687 24.5760 24.5760 k = 0.5000-0.0228 0.5963 ( 616 PWs) bands (ev): -1.8423 -1.8423 -0.5577 -0.5577 -0.2572 -0.2572 -0.1084 -0.1084 0.0687 0.0687 2.5422 2.5422 7.9853 7.9853 8.4825 8.4825 9.0637 9.0637 18.9447 18.9447 23.9399 23.9399 24.0292 24.0292 24.4982 24.4982 k = 0.5000-0.0152 0.6016 ( 616 PWs) bands (ev): -1.8387 -1.8387 -0.5575 -0.5575 -0.2590 -0.2590 -0.1091 -0.1091 0.0679 0.0679 2.5401 2.5401 8.0650 8.0650 8.3988 8.3988 9.0551 9.0551 19.0015 19.0015 23.9048 23.9048 24.0915 24.0915 24.4188 24.4188 k = 0.5000-0.0076 0.6070 ( 616 PWs) bands (ev): -1.8366 -1.8366 -0.5573 -0.5573 -0.2601 -0.2601 -0.1096 -0.1096 0.0674 0.0674 2.5388 2.5388 8.1446 8.1446 8.3169 8.3169 9.0499 9.0499 19.0363 19.0363 23.8722 23.8722 24.1729 24.1729 24.3380 24.3380 k = 0.5000 0.0000 0.6124 ( 616 PWs) bands (ev): -1.8359 -1.8359 -0.5572 -0.5572 -0.2605 -0.2605 -0.1097 -0.1097 0.0673 0.0673 2.5384 2.5384 8.2057 8.2057 8.2550 8.2550 9.0482 9.0482 19.0481 19.0481 23.8607 23.8607 24.2517 24.2517 24.2599 24.2599 k = 0.5000 0.0000 0.6124 ( 616 PWs) bands (ev): -1.8359 -1.8359 -0.5572 -0.5572 -0.2605 -0.2605 -0.1097 -0.1097 0.0673 0.0673 2.5384 2.5384 8.2057 8.2057 8.2550 8.2550 9.0482 9.0482 19.0481 19.0481 23.8607 23.8607 24.2517 24.2517 24.2599 24.2599 k = 0.4954 0.0080 0.6124 ( 616 PWs) bands (ev): -1.8360 -1.8360 -0.5573 -0.5573 -0.2604 -0.2604 -0.1097 -0.1097 0.0673 0.0673 2.5373 2.5373 8.1678 8.1678 8.2860 8.2860 9.0592 9.0592 19.0425 19.0425 23.8497 23.8497 24.2132 24.2132 24.3143 24.3143 k = 0.4907 0.0160 0.6124 ( 616 PWs) bands (ev): -1.8364 -1.8364 -0.5575 -0.5575 -0.2600 -0.2600 -0.1095 -0.1095 0.0673 0.0673 2.5343 2.5343 8.1146 8.1146 8.3162 8.3162 9.0942 9.0942 19.0255 19.0255 23.8131 23.8131 24.2078 24.2078 24.3717 24.3717 k = 0.4861 0.0241 0.6124 ( 615 PWs) bands (ev): -1.8370 -1.8370 -0.5577 -0.5577 -0.2593 -0.2593 -0.1092 -0.1092 0.0674 0.0674 2.5296 2.5296 8.0617 8.0617 8.3296 8.3296 9.1534 9.1534 18.9969 18.9969 23.7555 23.7555 24.2352 24.2352 24.4281 24.4281 k = 0.4815 0.0321 0.6124 ( 613 PWs) bands (ev): -1.8379 -1.8379 -0.5581 -0.5581 -0.2582 -0.2582 -0.1088 -0.1088 0.0674 0.0674 2.5233 2.5233 8.0102 8.0102 8.3276 8.3276 9.2339 9.2339 18.9569 18.9569 23.6870 23.6870 24.2853 24.2853 24.4834 24.4834 k = 0.4769 0.0401 0.6124 ( 613 PWs) bands (ev): -1.8389 -1.8389 -0.5586 -0.5586 -0.2569 -0.2569 -0.1084 -0.1084 0.0675 0.0675 2.5158 2.5158 7.9604 7.9604 8.3140 8.3140 9.3311 9.3311 18.9057 18.9057 23.6151 23.6151 24.3509 24.3509 24.5376 24.5376 k = 0.4722 0.0481 0.6124 ( 613 PWs) bands (ev): -1.8401 -1.8401 -0.5592 -0.5592 -0.2553 -0.2553 -0.1080 -0.1080 0.0676 0.0676 2.5073 2.5073 7.9124 7.9124 8.2927 8.2927 9.4408 9.4408 18.8438 18.8438 23.5434 23.5434 24.4277 24.4277 24.5910 24.5910 k = 0.4676 0.0561 0.6124 ( 611 PWs) bands (ev): -1.8415 -1.8415 -0.5599 -0.5599 -0.2532 -0.2532 -0.1077 -0.1077 0.0678 0.0678 2.4979 2.4979 7.8663 7.8663 8.2666 8.2666 9.5595 9.5595 18.7719 18.7719 23.4741 23.4741 24.5125 24.5125 24.6443 24.6443 k = 0.4630 0.0642 0.6124 ( 615 PWs) bands (ev): -1.8431 -1.8431 -0.5607 -0.5607 -0.2510 -0.2510 -0.1074 -0.1074 0.0680 0.0680 2.4877 2.4877 7.8221 7.8221 8.2377 8.2377 9.6846 9.6846 18.6906 18.6906 23.4080 23.4080 24.6013 24.6013 24.6999 24.6999 k = 0.4583 0.0722 0.6124 ( 617 PWs) bands (ev): -1.8447 -1.8447 -0.5617 -0.5617 -0.2484 -0.2484 -0.1073 -0.1073 0.0683 0.0683 2.4771 2.4771 7.7800 7.7800 8.2074 8.2074 9.8141 9.8141 18.6010 18.6010 23.3459 23.3459 24.6846 24.6846 24.7663 24.7663 k = 0.4537 0.0802 0.6124 ( 617 PWs) bands (ev): -1.8464 -1.8464 -0.5626 -0.5626 -0.2455 -0.2455 -0.1073 -0.1073 0.0686 0.0686 2.4662 2.4662 7.7399 7.7399 8.1769 8.1769 9.9466 9.9466 18.5042 18.5042 23.2878 23.2878 24.7494 24.7494 24.8556 24.8556 k = 0.4491 0.0882 0.6124 ( 617 PWs) bands (ev): -1.8482 -1.8482 -0.5636 -0.5636 -0.2423 -0.2423 -0.1074 -0.1074 0.0690 0.0690 2.4550 2.4550 7.7020 7.7020 8.1467 8.1467 10.0807 10.0807 18.4014 18.4014 23.2339 23.2339 24.7997 24.7997 24.9628 24.9628 k = 0.4444 0.0962 0.6124 ( 619 PWs) bands (ev): -1.8500 -1.8500 -0.5647 -0.5647 -0.2389 -0.2389 -0.1078 -0.1078 0.0695 0.0695 2.4438 2.4438 7.6661 7.6661 8.1173 8.1173 10.2154 10.2154 18.2937 18.2937 23.1841 23.1841 24.8431 24.8431 25.0791 25.0791 k = 0.4398 0.1042 0.6124 ( 616 PWs) bands (ev): -1.8518 -1.8518 -0.5657 -0.5657 -0.2351 -0.2351 -0.1083 -0.1083 0.0700 0.0700 2.4327 2.4327 7.6324 7.6324 8.0890 8.0890 10.3497 10.3497 18.1825 18.1825 23.1385 23.1385 24.8827 24.8827 25.2011 25.2011 k = 0.4352 0.1123 0.6124 ( 616 PWs) bands (ev): -1.8536 -1.8536 -0.5668 -0.5668 -0.2313 -0.2313 -0.1090 -0.1090 0.0706 0.0706 2.4219 2.4219 7.6009 7.6009 8.0622 8.0622 10.4824 10.4824 18.0691 18.0691 23.0967 23.0967 24.9192 24.9192 25.3267 25.3267 k = 0.4306 0.1203 0.6124 ( 612 PWs) bands (ev): -1.8553 -1.8553 -0.5678 -0.5678 -0.2272 -0.2272 -0.1099 -0.1099 0.0712 0.0712 2.4114 2.4114 7.5716 7.5716 8.0369 8.0369 10.6128 10.6128 17.9549 17.9549 23.0586 23.0586 24.9531 24.9531 25.4549 25.4549 k = 0.4259 0.1283 0.6124 ( 612 PWs) bands (ev): -1.8570 -1.8570 -0.5689 -0.5689 -0.2230 -0.2230 -0.1111 -0.1111 0.0719 0.0719 2.4013 2.4013 7.5446 7.5446 8.0133 8.0133 10.7393 10.7393 17.8414 17.8414 23.0242 23.0242 24.9841 24.9841 25.5841 25.5841 k = 0.4213 0.1363 0.6124 ( 612 PWs) bands (ev): -1.8587 -1.8587 -0.5700 -0.5700 -0.2188 -0.2188 -0.1125 -0.1125 0.0726 0.0726 2.3918 2.3918 7.5198 7.5198 7.9915 7.9915 10.8612 10.8612 17.7301 17.7301 22.9933 22.9933 25.0125 25.0125 25.7134 25.7134 k = 0.4167 0.1443 0.6124 ( 616 PWs) bands (ev): -1.8603 -1.8603 -0.5710 -0.5710 -0.2146 -0.2146 -0.1141 -0.1141 0.0732 0.0732 2.3829 2.3829 7.4973 7.4973 7.9716 7.9716 10.9772 10.9772 17.6224 17.6224 22.9655 22.9655 25.0381 25.0381 25.8414 25.8414 k = 0.4120 0.1524 0.6124 ( 614 PWs) bands (ev): -1.8617 -1.8617 -0.5719 -0.5719 -0.2104 -0.2104 -0.1158 -0.1158 0.0739 0.0739 2.3747 2.3747 7.4771 7.4771 7.9537 7.9537 11.0861 11.0861 17.5200 17.5200 22.9412 22.9412 25.0613 25.0613 25.9666 25.9666 k = 0.4074 0.1604 0.6124 ( 614 PWs) bands (ev): -1.8630 -1.8630 -0.5727 -0.5727 -0.2063 -0.2063 -0.1177 -0.1177 0.0746 0.0746 2.3674 2.3674 7.4593 7.4593 7.9378 7.9378 11.1867 11.1867 17.4246 17.4246 22.9200 22.9200 25.0818 25.0818 26.0872 26.0872 k = 0.4028 0.1684 0.6124 ( 614 PWs) bands (ev): -1.8642 -1.8642 -0.5735 -0.5735 -0.2024 -0.2024 -0.1196 -0.1196 0.0752 0.0752 2.3608 2.3608 7.4438 7.4438 7.9240 7.9240 11.2775 11.2775 17.3376 17.3376 22.9018 22.9018 25.0996 25.0996 26.2012 26.2012 k = 0.3981 0.1764 0.6124 ( 622 PWs) bands (ev): -1.8653 -1.8653 -0.5743 -0.5743 -0.1989 -0.1989 -0.1217 -0.1217 0.0756 0.0756 2.3552 2.3552 7.4306 7.4306 7.9122 7.9122 11.3571 11.3571 17.2606 17.2606 22.8864 22.8864 25.1145 25.1145 26.3057 26.3057 k = 0.3935 0.1844 0.6124 ( 622 PWs) bands (ev): -1.8662 -1.8662 -0.5748 -0.5748 -0.1957 -0.1957 -0.1234 -0.1234 0.0760 0.0760 2.3506 2.3506 7.4199 7.4199 7.9025 7.9025 11.4245 11.4245 17.1952 17.1952 22.8740 22.8740 25.1269 25.1269 26.3983 26.3983 k = 0.3889 0.1925 0.6124 ( 622 PWs) bands (ev): -1.8669 -1.8669 -0.5753 -0.5753 -0.1930 -0.1930 -0.1250 -0.1250 0.0764 0.0764 2.3469 2.3469 7.4115 7.4115 7.8950 7.8950 11.4784 11.4784 17.1428 17.1428 22.8644 22.8644 25.1365 25.1365 26.4755 26.4755 k = 0.3843 0.2005 0.6124 ( 618 PWs) bands (ev): -1.8673 -1.8673 -0.5755 -0.5755 -0.1909 -0.1909 -0.1262 -0.1262 0.0768 0.0768 2.3443 2.3443 7.4056 7.4056 7.8896 7.8896 11.5177 11.5177 17.1044 17.1044 22.8577 22.8577 25.1435 25.1435 26.5339 26.5339 k = 0.3796 0.2085 0.6124 ( 618 PWs) bands (ev): -1.8676 -1.8676 -0.5757 -0.5757 -0.1896 -0.1896 -0.1270 -0.1270 0.0769 0.0769 2.3427 2.3427 7.4020 7.4020 7.8864 7.8864 11.5417 11.5417 17.0810 17.0810 22.8536 22.8536 25.1477 25.1477 26.5704 26.5704 k = 0.3750 0.2165 0.6124 ( 618 PWs) bands (ev): -1.8677 -1.8677 -0.5758 -0.5758 -0.1891 -0.1891 -0.1273 -0.1273 0.0770 0.0770 2.3421 2.3421 7.4008 7.4008 7.8853 7.8853 11.5497 11.5497 17.0732 17.0732 22.8522 22.8522 25.1490 25.1490 26.5828 26.5828 k = 0.3750 0.2165 0.6124 ( 618 PWs) bands (ev): -1.8677 -1.8677 -0.5758 -0.5758 -0.1891 -0.1891 -0.1273 -0.1273 0.0770 0.0770 2.3421 2.3421 7.4008 7.4008 7.8853 7.8853 11.5497 11.5497 17.0732 17.0732 22.8522 22.8522 25.1490 25.1490 26.5828 26.5828 k = 0.3703 0.2138 0.6047 ( 618 PWs) bands (ev): -1.8479 -1.8479 -0.5758 -0.5758 -0.1958 -0.1958 -0.1315 -0.1315 0.0722 0.0722 2.2971 2.2971 7.4730 7.4730 7.7950 7.7950 11.6155 11.6155 17.1865 17.1865 22.8746 22.8746 25.0970 25.0970 26.4680 26.4680 k = 0.3656 0.2111 0.5971 ( 618 PWs) bands (ev): -1.8280 -1.8280 -0.5759 -0.5759 -0.2026 -0.2026 -0.1356 -0.1356 0.0674 0.0674 2.2490 2.2490 7.5469 7.5469 7.7107 7.7107 11.6825 11.6825 17.2995 17.2995 22.8894 22.8894 25.0443 25.0443 26.3533 26.3533 k = 0.3609 0.2084 0.5894 ( 618 PWs) bands (ev): -1.8080 -1.8080 -0.5763 -0.5763 -0.2094 -0.2094 -0.1396 -0.1396 0.0627 0.0627 2.1979 2.1979 7.6147 7.6147 7.6405 7.6405 11.7509 11.7509 17.4123 17.4123 22.8965 22.8965 24.9909 24.9909 26.2389 26.2389 k = 0.3563 0.2057 0.5818 ( 618 PWs) bands (ev): -1.7881 -1.7881 -0.5769 -0.5769 -0.2163 -0.2163 -0.1435 -0.1435 0.0580 0.0580 2.1439 2.1439 7.5573 7.5573 7.7037 7.7037 11.8202 11.8202 17.5250 17.5250 22.8961 22.8961 24.9370 24.9370 26.1252 26.1252 k = 0.3516 0.2030 0.5741 ( 610 PWs) bands (ev): -1.7683 -1.7683 -0.5775 -0.5775 -0.2231 -0.2231 -0.1471 -0.1471 0.0535 0.0535 2.0868 2.0868 7.4916 7.4916 7.7834 7.7834 11.8909 11.8909 17.6378 17.6378 22.8886 22.8886 24.8829 24.8829 26.0126 26.0126 k = 0.3469 0.2003 0.5664 ( 610 PWs) bands (ev): -1.7488 -1.7488 -0.5785 -0.5785 -0.2301 -0.2301 -0.1508 -0.1508 0.0489 0.0489 2.0269 2.0269 7.4319 7.4319 7.8653 7.8653 11.9621 11.9621 17.7507 17.7507 22.8734 22.8734 24.8283 24.8283 25.9010 25.9010 k = 0.3422 0.1976 0.5588 ( 606 PWs) bands (ev): -1.7296 -1.7296 -0.5795 -0.5795 -0.2370 -0.2370 -0.1543 -0.1543 0.0445 0.0445 1.9643 1.9643 7.3787 7.3787 7.9490 7.9490 12.0339 12.0339 17.8639 17.8639 22.8514 22.8514 24.7736 24.7736 25.7908 25.7908 k = 0.3375 0.1949 0.5511 ( 606 PWs) bands (ev): -1.7108 -1.7108 -0.5808 -0.5808 -0.2441 -0.2441 -0.1577 -0.1577 0.0401 0.0401 1.8990 1.8990 7.3320 7.3320 8.0344 8.0344 12.1063 12.1063 17.9775 17.9775 22.8227 22.8227 24.7188 24.7188 25.6824 25.6824 k = 0.3328 0.1921 0.5435 ( 606 PWs) bands (ev): -1.6926 -1.6926 -0.5823 -0.5823 -0.2512 -0.2512 -0.1611 -0.1611 0.0357 0.0357 1.8313 1.8313 7.2918 7.2918 8.1215 8.1215 12.1791 12.1791 18.0916 18.0916 22.7879 22.7879 24.6642 24.6642 25.5760 25.5760 k = 0.3281 0.1894 0.5358 ( 606 PWs) bands (ev): -1.6749 -1.6749 -0.5839 -0.5839 -0.2583 -0.2583 -0.1644 -0.1644 0.0313 0.0313 1.7613 1.7613 7.2583 7.2583 8.2102 8.2102 12.2522 12.2522 18.2063 18.2063 22.7472 22.7472 24.6098 24.6098 25.4719 25.4719 k = 0.3234 0.1867 0.5282 ( 610 PWs) bands (ev): -1.6581 -1.6581 -0.5856 -0.5856 -0.2655 -0.2655 -0.1676 -0.1676 0.0271 0.0271 1.6893 1.6893 7.2312 7.2312 8.3004 8.3004 12.3253 12.3253 18.3218 18.3218 22.7009 22.7009 24.5556 24.5556 25.3703 25.3703 k = 0.3187 0.1840 0.5205 ( 610 PWs) bands (ev): -1.6420 -1.6420 -0.5875 -0.5875 -0.2728 -0.2728 -0.1707 -0.1707 0.0228 0.0228 1.6157 1.6157 7.2106 7.2106 8.3920 8.3920 12.3983 12.3983 18.4381 18.4381 22.6500 22.6500 24.5020 24.5020 25.2715 25.2715 k = 0.3141 0.1813 0.5129 ( 618 PWs) bands (ev): -1.6271 -1.6271 -0.5895 -0.5895 -0.2803 -0.2803 -0.1738 -0.1738 0.0186 0.0186 1.5406 1.5406 7.1962 7.1962 8.4848 8.4848 12.4711 12.4711 18.5553 18.5553 22.5944 22.5944 24.4491 24.4491 25.1758 25.1758 k = 0.3094 0.1786 0.5052 ( 614 PWs) bands (ev): -1.6131 -1.6131 -0.5913 -0.5913 -0.2877 -0.2877 -0.1767 -0.1767 0.0145 0.0145 1.4644 1.4644 7.1883 7.1883 8.5791 8.5791 12.5435 12.5435 18.6737 18.6737 22.5349 22.5349 24.3969 24.3969 25.0834 25.0834 k = 0.3047 0.1759 0.4976 ( 614 PWs) bands (ev): -1.6006 -1.6006 -0.5933 -0.5933 -0.2952 -0.2952 -0.1796 -0.1796 0.0105 0.0105 1.3875 1.3875 7.1864 7.1864 8.6746 8.6746 12.6153 12.6153 18.7931 18.7931 22.4716 22.4716 24.3456 24.3456 24.9946 24.9946 k = 0.3000 0.1732 0.4899 ( 614 PWs) bands (ev): -1.5895 -1.5895 -0.5953 -0.5953 -0.3029 -0.3029 -0.1824 -0.1824 0.0065 0.0065 1.3102 1.3102 7.1905 7.1905 8.7713 8.7713 12.6864 12.6864 18.9137 18.9137 22.4049 22.4049 24.2954 24.2954 24.9097 24.9097 k = 0.2953 0.1705 0.4822 ( 614 PWs) bands (ev): -1.5801 -1.5801 -0.5973 -0.5973 -0.3108 -0.3108 -0.1851 -0.1851 0.0025 0.0025 1.2329 1.2329 7.2004 7.2004 8.8690 8.8690 12.7565 12.7565 19.0356 19.0356 22.3351 22.3351 24.2463 24.2463 24.8288 24.8288 k = 0.2906 0.1678 0.4746 ( 614 PWs) bands (ev): -1.5725 -1.5725 -0.5993 -0.5993 -0.3188 -0.3188 -0.1878 -0.1878 -0.0014 -0.0014 1.1561 1.1561 7.2160 7.2160 8.9677 8.9677 12.8255 12.8255 19.1587 19.1587 22.2625 22.2625 24.1986 24.1986 24.7523 24.7523 k = 0.2859 0.1651 0.4669 ( 610 PWs) bands (ev): -1.5670 -1.5670 -0.6011 -0.6011 -0.3270 -0.3270 -0.1904 -0.1904 -0.0052 -0.0052 1.0800 1.0800 7.2372 7.2372 9.0674 9.0674 12.8931 12.8931 19.2833 19.2833 22.1878 22.1878 24.1525 24.1525 24.6804 24.6804 k = 0.2812 0.1624 0.4593 ( 610 PWs) bands (ev): -1.5639 -1.5639 -0.6030 -0.6030 -0.3356 -0.3356 -0.1929 -0.1929 -0.0090 -0.0090 1.0052 1.0052 7.2636 7.2636 9.1678 9.1678 12.9593 12.9593 19.4092 19.4092 22.1106 22.1106 24.1078 24.1078 24.6134 24.6134 k = 0.2766 0.1597 0.4516 ( 610 PWs) bands (ev): -1.5632 -1.5632 -0.6047 -0.6047 -0.3444 -0.3444 -0.1952 -0.1952 -0.0127 -0.0127 0.9320 0.9320 7.2953 7.2953 9.2690 9.2690 13.0238 13.0238 19.5364 19.5364 22.0316 22.0316 24.0649 24.0649 24.5514 24.5514 k = 0.2719 0.1570 0.4440 ( 610 PWs) bands (ev): -1.5654 -1.5654 -0.6064 -0.6064 -0.3535 -0.3535 -0.1975 -0.1975 -0.0164 -0.0164 0.8608 0.8608 7.3320 7.3320 9.3709 9.3709 13.0864 13.0864 19.6650 19.6650 21.9509 21.9509 24.0240 24.0240 24.4947 24.4947 k = 0.2672 0.1543 0.4363 ( 610 PWs) bands (ev): -1.5706 -1.5706 -0.6079 -0.6079 -0.3628 -0.3628 -0.1996 -0.1996 -0.0200 -0.0200 0.7920 0.7920 7.3736 7.3736 9.4734 9.4734 13.1469 13.1469 19.7949 19.7949 21.8690 21.8690 23.9851 23.9851 24.4436 24.4436 k = 0.2625 0.1516 0.4287 ( 610 PWs) bands (ev): -1.5792 -1.5792 -0.6092 -0.6092 -0.3725 -0.3725 -0.2015 -0.2015 -0.0236 -0.0236 0.7260 0.7260 7.4199 7.4199 9.5763 9.5763 13.2052 13.2052 19.9259 19.9259 21.7861 21.7861 23.9485 23.9485 24.3982 24.3982 k = 0.2578 0.1488 0.4210 ( 616 PWs) bands (ev): -1.5913 -1.5913 -0.6104 -0.6104 -0.3825 -0.3825 -0.2032 -0.2032 -0.0272 -0.0272 0.6631 0.6631 7.4707 7.4707 9.6796 9.6796 13.2612 13.2612 20.0578 20.0578 21.7026 21.7026 23.9142 23.9142 24.3587 24.3587 k = 0.2531 0.1461 0.4134 ( 616 PWs) bands (ev): -1.6071 -1.6071 -0.6113 -0.6113 -0.3926 -0.3926 -0.2046 -0.2046 -0.0307 -0.0307 0.6035 0.6035 7.5261 7.5261 9.7832 9.7832 13.3146 13.3146 20.1902 20.1902 21.6193 21.6193 23.8825 23.8825 24.3255 24.3255 k = 0.2484 0.1434 0.4057 ( 616 PWs) bands (ev): -1.6269 -1.6269 -0.6120 -0.6120 -0.4028 -0.4028 -0.2057 -0.2057 -0.0341 -0.0341 0.5476 0.5476 7.5857 7.5857 9.8870 9.8870 13.3653 13.3653 20.3222 20.3222 21.5371 21.5371 23.8535 23.8535 24.2986 24.2986 k = 0.2437 0.1407 0.3980 ( 616 PWs) bands (ev): -1.6508 -1.6508 -0.6125 -0.6125 -0.4131 -0.4131 -0.2066 -0.2066 -0.0375 -0.0375 0.4953 0.4953 7.6495 7.6495 9.9909 9.9909 13.4131 13.4131 20.4523 20.4523 21.4575 21.4575 23.8273 23.8273 24.2782 24.2782 k = 0.2391 0.1380 0.3904 ( 616 PWs) bands (ev): -1.6788 -1.6788 -0.6126 -0.6126 -0.4233 -0.4233 -0.2070 -0.2070 -0.0408 -0.0408 0.4468 0.4468 7.7174 7.7174 10.0948 10.0948 13.4580 13.4580 20.5775 20.5775 21.3839 21.3839 23.8041 23.8041 24.2646 24.2646 k = 0.2344 0.1353 0.3827 ( 616 PWs) bands (ev): -1.7111 -1.7111 -0.6125 -0.6125 -0.4332 -0.4332 -0.2072 -0.2072 -0.0440 -0.0440 0.4021 0.4021 7.7891 7.7891 10.1985 10.1985 13.4998 13.4998 20.6909 20.6909 21.3231 21.3231 23.7841 23.7841 24.2578 24.2578 k = 0.2297 0.1326 0.3751 ( 608 PWs) bands (ev): -1.7474 -1.7474 -0.6120 -0.6120 -0.4427 -0.4427 -0.2069 -0.2069 -0.0470 -0.0470 0.3611 0.3611 7.8647 7.8647 10.3021 10.3021 13.5387 13.5387 20.7773 20.7773 21.2904 21.2904 23.7678 23.7678 24.2580 24.2580 k = 0.2250 0.1299 0.3674 ( 608 PWs) bands (ev): -1.7878 -1.7878 -0.6113 -0.6113 -0.4520 -0.4520 -0.2063 -0.2063 -0.0501 -0.0501 0.3236 0.3236 7.9439 7.9439 10.4053 10.4053 13.5741 13.5741 20.8137 20.8137 21.3088 21.3088 23.7545 23.7545 24.2653 24.2653 k = 0.2203 0.1272 0.3598 ( 608 PWs) bands (ev): -1.8320 -1.8320 -0.6103 -0.6103 -0.4607 -0.4607 -0.2054 -0.2054 -0.0531 -0.0531 0.2895 0.2895 8.0267 8.0267 10.5080 10.5080 13.6061 13.6061 20.7935 20.7935 21.3849 21.3849 23.7447 23.7447 24.2798 24.2798 k = 0.2156 0.1245 0.3521 ( 606 PWs) bands (ev): -1.8798 -1.8798 -0.6090 -0.6090 -0.4688 -0.4688 -0.2041 -0.2041 -0.0561 -0.0561 0.2586 0.2586 8.1129 8.1129 10.6101 10.6101 13.6348 13.6348 20.7367 20.7367 21.4991 21.4991 23.7388 23.7388 24.3016 24.3016 k = 0.2109 0.1218 0.3445 ( 606 PWs) bands (ev): -1.9308 -1.9308 -0.6075 -0.6075 -0.4763 -0.4763 -0.2025 -0.2025 -0.0589 -0.0589 0.2305 0.2305 8.2024 8.2024 10.7115 10.7115 13.6602 13.6602 20.6614 20.6614 21.6329 21.6329 23.7366 23.7366 24.3307 24.3307 k = 0.2062 0.1191 0.3368 ( 606 PWs) bands (ev): -1.9847 -1.9847 -0.6057 -0.6057 -0.4832 -0.4832 -0.2005 -0.2005 -0.0617 -0.0617 0.2050 0.2050 8.2952 8.2952 10.8122 10.8122 13.6821 13.6821 20.5767 20.5767 21.7773 21.7773 23.7386 23.7386 24.3672 24.3672 k = 0.2016 0.1164 0.3292 ( 602 PWs) bands (ev): -2.0412 -2.0412 -0.6036 -0.6036 -0.4893 -0.4893 -0.1981 -0.1981 -0.0643 -0.0643 0.1819 0.1819 8.3911 8.3911 10.9121 10.9121 13.7007 13.7007 20.4866 20.4866 21.9285 21.9285 23.7447 23.7447 24.4111 24.4111 k = 0.1969 0.1137 0.3215 ( 602 PWs) bands (ev): -2.0999 -2.0999 -0.6014 -0.6014 -0.4948 -0.4948 -0.1955 -0.1955 -0.0669 -0.0669 0.1610 0.1610 8.4900 8.4900 11.0107 11.0107 13.7159 13.7159 20.3931 20.3931 22.0842 22.0842 23.7551 23.7551 24.4623 24.4623 k = 0.1922 0.1110 0.3138 ( 610 PWs) bands (ev): -2.1604 -2.1604 -0.5990 -0.5990 -0.4998 -0.4998 -0.1927 -0.1927 -0.0695 -0.0695 0.1419 0.1419 8.5918 8.5918 11.1082 11.1082 13.7277 13.7277 20.2970 20.2970 22.2435 22.2435 23.7695 23.7695 24.5209 24.5209 k = 0.1875 0.1083 0.3062 ( 610 PWs) bands (ev): -2.2223 -2.2223 -0.5964 -0.5964 -0.5042 -0.5042 -0.1895 -0.1895 -0.0719 -0.0719 0.1245 0.1245 8.6965 8.6965 11.2044 11.2044 13.7365 13.7365 20.1992 20.1992 22.4058 22.4058 23.7890 23.7890 24.5866 24.5866 k = 0.1828 0.1055 0.2985 ( 610 PWs) bands (ev): -2.2854 -2.2854 -0.5937 -0.5937 -0.5080 -0.5080 -0.1861 -0.1861 -0.0742 -0.0742 0.1087 0.1087 8.8038 8.8038 11.2993 11.2993 13.7423 13.7423 20.0998 20.0998 22.5708 22.5708 23.8133 23.8133 24.6596 24.6596 k = 0.1781 0.1028 0.2909 ( 610 PWs) bands (ev): -2.3492 -2.3492 -0.5909 -0.5909 -0.5114 -0.5114 -0.1824 -0.1824 -0.0764 -0.0764 0.0943 0.0943 8.9138 8.9138 11.3926 11.3926 13.7451 13.7451 19.9992 19.9992 22.7380 22.7380 23.8425 23.8425 24.7395 24.7395 k = 0.1734 0.1001 0.2832 ( 612 PWs) bands (ev): -2.4136 -2.4136 -0.5880 -0.5880 -0.5143 -0.5143 -0.1786 -0.1786 -0.0784 -0.0784 0.0810 0.0810 9.0262 9.0262 11.4843 11.4843 13.7448 13.7448 19.8972 19.8972 22.9074 22.9074 23.8768 23.8768 24.8264 24.8264 k = 0.1688 0.0974 0.2756 ( 612 PWs) bands (ev): -2.4782 -2.4782 -0.5851 -0.5851 -0.5168 -0.5168 -0.1746 -0.1746 -0.0804 -0.0804 0.0688 0.0688 9.1410 9.1410 11.5743 11.5743 13.7421 13.7421 19.7943 19.7943 23.0787 23.0787 23.9163 23.9163 24.9201 24.9201 k = 0.1641 0.0947 0.2679 ( 612 PWs) bands (ev): -2.5427 -2.5427 -0.5821 -0.5821 -0.5189 -0.5189 -0.1703 -0.1703 -0.0823 -0.0823 0.0577 0.0577 9.2582 9.2582 11.6624 11.6624 13.7369 13.7369 19.6903 19.6903 23.2517 23.2517 23.9615 23.9615 25.0203 25.0203 k = 0.1594 0.0920 0.2603 ( 612 PWs) bands (ev): -2.6070 -2.6070 -0.5791 -0.5791 -0.5207 -0.5207 -0.1660 -0.1660 -0.0840 -0.0840 0.0473 0.0473 9.3776 9.3776 11.7487 11.7487 13.7293 13.7293 19.5852 19.5852 23.4262 23.4262 24.0120 24.0120 25.1270 25.1270 k = 0.1547 0.0893 0.2526 ( 612 PWs) bands (ev): -2.6709 -2.6709 -0.5762 -0.5762 -0.5222 -0.5222 -0.1615 -0.1615 -0.0857 -0.0857 0.0378 0.0378 9.4991 9.4991 11.8328 11.8328 13.7194 13.7194 19.4792 19.4792 23.6020 23.6020 24.0684 24.0684 25.2399 25.2399 k = 0.1500 0.0866 0.2449 ( 612 PWs) bands (ev): -2.7341 -2.7341 -0.5733 -0.5733 -0.5235 -0.5235 -0.1569 -0.1569 -0.0872 -0.0872 0.0290 0.0290 9.6225 9.6225 11.9149 11.9149 13.7075 13.7075 19.3722 19.3722 23.7784 23.7784 24.1311 24.1311 25.3590 25.3590 k = 0.1453 0.0839 0.2373 ( 612 PWs) bands (ev): -2.7965 -2.7965 -0.5704 -0.5704 -0.5246 -0.5246 -0.1522 -0.1522 -0.0887 -0.0887 0.0209 0.0209 9.7478 9.7478 11.9947 11.9947 13.6937 13.6937 19.2643 19.2643 23.9545 23.9545 24.2012 24.2012 25.4838 25.4838 k = 0.1406 0.0812 0.2296 ( 610 PWs) bands (ev): -2.8579 -2.8579 -0.5676 -0.5676 -0.5255 -0.5255 -0.1474 -0.1474 -0.0901 -0.0901 0.0134 0.0134 9.8748 9.8748 12.0724 12.0724 13.6782 13.6782 19.1554 19.1554 24.1269 24.1269 24.2820 24.2820 25.6143 25.6143 k = 0.1359 0.0785 0.2220 ( 610 PWs) bands (ev): -2.9183 -2.9183 -0.5649 -0.5649 -0.5263 -0.5263 -0.1426 -0.1426 -0.0914 -0.0914 0.0065 0.0065 10.0035 10.0035 12.1476 12.1476 13.6613 13.6613 19.0457 19.0457 24.2817 24.2817 24.3872 24.3872 25.7502 25.7502 k = 0.1313 0.0758 0.2143 ( 608 PWs) bands (ev): -2.9773 -2.9773 -0.5623 -0.5623 -0.5269 -0.5269 -0.1378 -0.1378 -0.0927 -0.0927 0.0001 0.0001 10.1336 10.1336 12.2204 12.2204 13.6431 13.6431 18.9350 18.9350 24.3991 24.3991 24.5369 24.5369 25.8912 25.8912 k = 0.1266 0.0731 0.2067 ( 606 PWs) bands (ev): -3.0351 -3.0351 -0.5598 -0.5598 -0.5274 -0.5274 -0.1330 -0.1330 -0.0939 -0.0939 -0.0057 -0.0057 10.2652 10.2652 12.2907 12.2907 13.6237 13.6237 18.8234 18.8234 24.4991 24.4991 24.7104 24.7104 26.0371 26.0371 k = 0.1219 0.0704 0.1990 ( 606 PWs) bands (ev): -3.0913 -3.0913 -0.5574 -0.5574 -0.5278 -0.5278 -0.1282 -0.1282 -0.0950 -0.0950 -0.0111 -0.0111 10.3979 10.3979 12.3584 12.3584 13.6034 13.6034 18.7110 18.7110 24.5990 24.5990 24.8907 24.8907 26.1876 26.1876 k = 0.1172 0.0677 0.1914 ( 606 PWs) bands (ev): -3.1461 -3.1461 -0.5551 -0.5551 -0.5282 -0.5282 -0.1234 -0.1234 -0.0962 -0.0962 -0.0160 -0.0160 10.5317 10.5317 12.4235 12.4235 13.5823 13.5823 18.5977 18.5977 24.7029 24.7029 25.0733 25.0733 26.3425 26.3425 k = 0.1125 0.0650 0.1837 ( 608 PWs) bands (ev): -3.1991 -3.1991 -0.5530 -0.5530 -0.5286 -0.5286 -0.1187 -0.1187 -0.0972 -0.0972 -0.0205 -0.0205 10.6664 10.6664 12.4859 12.4859 13.5606 13.5606 18.4836 18.4836 24.8118 24.8118 25.2569 25.2569 26.5013 26.5013 k = 0.1078 0.0622 0.1761 ( 604 PWs) bands (ev): -3.2505 -3.2505 -0.5510 -0.5510 -0.5288 -0.5288 -0.1141 -0.1141 -0.0983 -0.0983 -0.0244 -0.0244 10.8020 10.8020 12.5458 12.5458 13.5386 13.5386 18.3689 18.3689 24.9264 24.9264 25.4412 25.4412 26.6640 26.6640 k = 0.1031 0.0595 0.1684 ( 604 PWs) bands (ev): -3.3001 -3.3001 -0.5491 -0.5491 -0.5291 -0.5291 -0.1096 -0.1096 -0.0992 -0.0992 -0.0281 -0.0281 10.9380 10.9380 12.6029 12.6029 13.5162 13.5162 18.2535 18.2535 25.0468 25.0468 25.6252 25.6252 26.8300 26.8300 k = 0.0984 0.0568 0.1607 ( 604 PWs) bands (ev): -3.3479 -3.3479 -0.5473 -0.5473 -0.5293 -0.5293 -0.1054 -0.1054 -0.0999 -0.0999 -0.0313 -0.0313 11.0744 11.0744 12.6574 12.6574 13.4937 13.4937 18.1376 18.1376 25.1729 25.1729 25.8088 25.8088 26.9991 26.9991 k = 0.0938 0.0541 0.1531 ( 604 PWs) bands (ev): -3.3937 -3.3937 -0.5457 -0.5457 -0.5296 -0.5296 -0.1030 -0.1030 -0.0989 -0.0989 -0.0342 -0.0342 11.2109 11.2109 12.7092 12.7092 13.4713 13.4713 18.0212 18.0212 25.3049 25.3049 25.9915 25.9915 27.1708 27.1708 k = 0.0891 0.0514 0.1454 ( 596 PWs) bands (ev): -3.4376 -3.4376 -0.5441 -0.5441 -0.5297 -0.5297 -0.1031 -0.1031 -0.0953 -0.0953 -0.0367 -0.0367 11.3473 11.3473 12.7584 12.7584 13.4492 13.4492 17.9046 17.9046 25.4429 25.4429 26.1733 26.1733 27.3447 27.3447 k = 0.0844 0.0487 0.1378 ( 596 PWs) bands (ev): -3.4795 -3.4795 -0.5427 -0.5427 -0.5299 -0.5299 -0.1039 -0.1039 -0.0913 -0.0913 -0.0390 -0.0390 11.4833 11.4833 12.8048 12.8048 13.4273 13.4273 17.7879 17.7879 25.5866 25.5866 26.3533 26.3533 27.5204 27.5204 k = 0.0797 0.0460 0.1301 ( 596 PWs) bands (ev): -3.5193 -3.5193 -0.5414 -0.5414 -0.5301 -0.5301 -0.1048 -0.1048 -0.0873 -0.0873 -0.0409 -0.0409 11.6187 11.6187 12.8485 12.8485 13.4058 13.4058 17.6713 17.6713 25.7359 25.7359 26.5314 26.5314 27.6973 27.6973 k = 0.0750 0.0433 0.1225 ( 598 PWs) bands (ev): -3.5570 -3.5570 -0.5403 -0.5403 -0.5303 -0.5303 -0.1058 -0.1058 -0.0835 -0.0835 -0.0426 -0.0426 11.7530 11.7530 12.8894 12.8894 13.3848 13.3848 17.5551 17.5551 25.8909 25.8909 26.7071 26.7071 27.8748 27.8748 k = 0.0703 0.0406 0.1148 ( 602 PWs) bands (ev): -3.5927 -3.5927 -0.5393 -0.5393 -0.5306 -0.5306 -0.1068 -0.1068 -0.0798 -0.0798 -0.0441 -0.0441 11.8858 11.8858 12.9277 12.9277 13.3647 13.3647 17.4394 17.4394 26.0512 26.0512 26.8798 26.8798 28.0522 28.0522 k = 0.0656 0.0379 0.1072 ( 602 PWs) bands (ev): -3.6261 -3.6261 -0.5384 -0.5384 -0.5308 -0.5308 -0.1077 -0.1077 -0.0762 -0.0762 -0.0453 -0.0453 12.0169 12.0169 12.9634 12.9634 13.3454 13.3454 17.3249 17.3249 26.2171 26.2171 27.0491 27.0491 28.2290 28.2290 k = 0.0609 0.0352 0.0995 ( 602 PWs) bands (ev): -3.6574 -3.6574 -0.5375 -0.5375 -0.5310 -0.5310 -0.1086 -0.1086 -0.0729 -0.0729 -0.0464 -0.0464 12.1457 12.1457 12.9964 12.9964 13.3270 13.3270 17.2118 17.2118 26.3881 26.3881 27.2143 27.2143 28.4039 28.4039 k = 0.0563 0.0325 0.0919 ( 608 PWs) bands (ev): -3.6864 -3.6864 -0.5368 -0.5368 -0.5313 -0.5313 -0.1095 -0.1095 -0.0698 -0.0698 -0.0473 -0.0473 12.2715 12.2715 13.0268 13.0268 13.3095 13.3095 17.1007 17.1007 26.5634 26.5634 27.3747 27.3747 28.5758 28.5758 k = 0.0516 0.0298 0.0842 ( 604 PWs) bands (ev): -3.7132 -3.7132 -0.5361 -0.5361 -0.5315 -0.5315 -0.1103 -0.1103 -0.0668 -0.0668 -0.0479 -0.0479 12.3939 12.3939 13.0546 13.0546 13.2933 13.2933 16.9922 16.9922 26.7441 26.7441 27.5298 27.5298 28.7021 28.7021 k = 0.0469 0.0271 0.0765 ( 604 PWs) bands (ev): -3.7378 -3.7378 -0.5355 -0.5355 -0.5317 -0.5317 -0.1110 -0.1110 -0.0640 -0.0640 -0.0485 -0.0485 12.5118 12.5118 13.0798 13.0798 13.2783 13.2783 16.8870 16.8870 26.9289 26.9289 27.6788 27.6788 28.6759 28.6759 k = 0.0422 0.0244 0.0689 ( 609 PWs) bands (ev): -3.7601 -3.7601 -0.5350 -0.5350 -0.5320 -0.5320 -0.1118 -0.1118 -0.0615 -0.0615 -0.0490 -0.0490 12.6244 12.6244 13.1025 13.1025 13.2646 13.2646 16.7858 16.7858 27.1168 27.1168 27.8197 27.8197 28.6518 28.6518 k = 0.0375 0.0217 0.0612 ( 609 PWs) bands (ev): -3.7800 -3.7800 -0.5346 -0.5346 -0.5322 -0.5322 -0.1124 -0.1124 -0.0593 -0.0593 -0.0494 -0.0494 12.7307 12.7307 13.1226 13.1226 13.2524 13.2524 16.6898 16.6898 27.3084 27.3084 27.9533 27.9533 28.6304 28.6304 k = 0.0328 0.0189 0.0536 ( 609 PWs) bands (ev): -3.7977 -3.7977 -0.5342 -0.5342 -0.5323 -0.5323 -0.1130 -0.1130 -0.0572 -0.0572 -0.0497 -0.0497 12.8295 12.8295 13.1401 13.1401 13.2418 13.2418 16.6001 16.6001 27.5021 27.5021 28.0777 28.0777 28.6115 28.6115 k = 0.0281 0.0162 0.0459 ( 609 PWs) bands (ev): -3.8130 -3.8130 -0.5338 -0.5338 -0.5325 -0.5325 -0.1134 -0.1134 -0.0554 -0.0554 -0.0499 -0.0499 12.9194 12.9194 13.1551 13.1551 13.2329 13.2329 16.5178 16.5178 27.6963 27.6963 28.1915 28.1915 28.5952 28.5952 k = 0.0234 0.0135 0.0383 ( 609 PWs) bands (ev): -3.8260 -3.8260 -0.5336 -0.5336 -0.5326 -0.5326 -0.1138 -0.1138 -0.0539 -0.0539 -0.0501 -0.0501 12.9987 12.9987 13.1677 13.1677 13.2260 13.2260 16.4445 16.4445 27.8887 27.8887 28.2931 28.2931 28.5815 28.5815 k = 0.0187 0.0108 0.0306 ( 609 PWs) bands (ev): -3.8366 -3.8366 -0.5333 -0.5333 -0.5327 -0.5327 -0.1142 -0.1142 -0.0526 -0.0526 -0.0502 -0.0502 13.0653 13.0653 13.1781 13.1781 13.2212 13.2212 16.3817 16.3817 28.0752 28.0752 28.3807 28.3807 28.5706 28.5706 k = 0.0141 0.0081 0.0230 ( 609 PWs) bands (ev): -3.8449 -3.8449 -0.5332 -0.5332 -0.5328 -0.5328 -0.1144 -0.1144 -0.0517 -0.0517 -0.0503 -0.0503 13.1164 13.1164 13.1878 13.1878 13.2186 13.2186 16.3308 16.3308 28.2492 28.2492 28.4519 28.4519 28.5628 28.5628 k = 0.0094 0.0054 0.0153 ( 609 PWs) bands (ev): -3.8508 -3.8508 -0.5330 -0.5330 -0.5329 -0.5329 -0.1146 -0.1146 -0.0509 -0.0509 -0.0503 -0.0503 13.1482 13.1482 13.1997 13.1997 13.2178 13.2178 16.2932 16.2932 28.3983 28.3983 28.5035 28.5035 28.5596 28.5596 k = 0.0047 0.0027 0.0077 ( 609 PWs) bands (ev): -3.8544 -3.8544 -0.5330 -0.5330 -0.5329 -0.5329 -0.1147 -0.1147 -0.0505 -0.0505 -0.0504 -0.0504 13.1615 13.1615 13.2124 13.2124 13.2178 13.2178 16.2702 16.2702 28.5016 28.5016 28.5301 28.5301 28.5662 28.5662 k = 0.0000 0.0000 0.0000 ( 609 PWs) bands (ev): -3.8556 -3.8556 -0.5330 -0.5330 -0.5330 -0.5330 -0.1148 -0.1148 -0.0504 -0.0504 -0.0504 -0.0504 13.1647 13.1647 13.2180 13.2180 13.2180 13.2180 16.2624 16.2624 28.5355 28.5355 28.5355 28.5355 28.5768 28.5768 k = 0.0000 0.0000 0.0000 ( 609 PWs) bands (ev): -3.8556 -3.8556 -0.5330 -0.5330 -0.5330 -0.5330 -0.1148 -0.1148 -0.0504 -0.0504 -0.0504 -0.0504 13.1647 13.1647 13.2180 13.2180 13.2180 13.2180 16.2624 16.2624 28.5355 28.5355 28.5355 28.5355 28.5768 28.5768 k = 0.0077 0.0044 0.0031 ( 609 PWs) bands (ev): -3.8544 -3.8544 -0.5330 -0.5330 -0.5329 -0.5329 -0.1147 -0.1147 -0.0505 -0.0505 -0.0504 -0.0504 13.1614 13.1614 13.2122 13.2122 13.2181 13.2181 16.2703 16.2703 28.4979 28.4979 28.5333 28.5333 28.5664 28.5664 k = 0.0154 0.0089 0.0063 ( 609 PWs) bands (ev): -3.8508 -3.8508 -0.5331 -0.5331 -0.5329 -0.5329 -0.1146 -0.1146 -0.0509 -0.0509 -0.0504 -0.0504 13.1468 13.1468 13.2001 13.2001 13.2185 13.2185 16.2935 16.2935 28.3835 28.3835 28.5265 28.5265 28.5514 28.5514 k = 0.0231 0.0133 0.0094 ( 609 PWs) bands (ev): -3.8448 -3.8448 -0.5332 -0.5332 -0.5328 -0.5328 -0.1144 -0.1144 -0.0516 -0.0516 -0.0503 -0.0503 13.1110 13.1110 13.1921 13.1921 13.2191 13.2191 16.3313 16.3313 28.2202 28.2202 28.5146 28.5146 28.5308 28.5308 k = 0.0308 0.0178 0.0126 ( 609 PWs) bands (ev): -3.8364 -3.8364 -0.5334 -0.5334 -0.5327 -0.5327 -0.1142 -0.1142 -0.0526 -0.0526 -0.0503 -0.0503 13.0545 13.0545 13.1894 13.1894 13.2200 13.2200 16.3824 16.3824 28.0307 28.0307 28.4970 28.4970 28.5019 28.5019 k = 0.0385 0.0222 0.0157 ( 609 PWs) bands (ev): -3.8257 -3.8257 -0.5336 -0.5336 -0.5326 -0.5326 -0.1138 -0.1138 -0.0538 -0.0538 -0.0502 -0.0502 12.9813 12.9813 13.1889 13.1889 13.2211 13.2211 16.4453 16.4453 27.8280 27.8280 28.4635 28.4635 28.4726 28.4726 k = 0.0462 0.0266 0.0188 ( 609 PWs) bands (ev): -3.8126 -3.8126 -0.5339 -0.5339 -0.5324 -0.5324 -0.1134 -0.1134 -0.0552 -0.0552 -0.0502 -0.0502 12.8944 12.8944 13.1896 13.1896 13.2225 13.2225 16.5184 16.5184 27.6188 27.6188 28.4147 28.4147 28.4404 28.4404 k = 0.0538 0.0311 0.0220 ( 609 PWs) bands (ev): -3.7971 -3.7971 -0.5343 -0.5343 -0.5322 -0.5322 -0.1129 -0.1129 -0.0570 -0.0570 -0.0500 -0.0500 12.7959 12.7959 13.1910 13.1910 13.2241 13.2241 16.6000 16.6000 27.4073 27.4073 28.3549 28.3549 28.3991 28.3991 k = 0.0615 0.0355 0.0251 ( 609 PWs) bands (ev): -3.7792 -3.7792 -0.5348 -0.5348 -0.5320 -0.5320 -0.1124 -0.1124 -0.0589 -0.0589 -0.0499 -0.0499 12.6873 12.6873 13.1929 13.1929 13.2260 13.2260 16.6887 16.6887 27.1958 27.1958 28.2841 28.2841 28.3478 28.3478 k = 0.0692 0.0400 0.0283 ( 606 PWs) bands (ev): -3.7590 -3.7590 -0.5353 -0.5353 -0.5317 -0.5317 -0.1117 -0.1117 -0.0611 -0.0611 -0.0497 -0.0497 12.5702 12.5702 13.1952 13.1952 13.2281 13.2281 16.7829 16.7829 26.9867 26.9867 28.2025 28.2025 28.2859 28.2859 k = 0.0769 0.0444 0.0314 ( 606 PWs) bands (ev): -3.7364 -3.7364 -0.5359 -0.5359 -0.5314 -0.5314 -0.1110 -0.1110 -0.0635 -0.0635 -0.0495 -0.0495 12.4456 12.4456 13.1978 13.1978 13.2305 13.2305 16.8816 16.8816 26.7792 26.7792 28.1107 28.1107 28.2130 28.2130 k = 0.0846 0.0489 0.0345 ( 606 PWs) bands (ev): -3.7116 -3.7116 -0.5366 -0.5366 -0.5312 -0.5312 -0.1102 -0.1102 -0.0661 -0.0661 -0.0492 -0.0492 12.3146 12.3146 13.2008 13.2008 13.2332 13.2332 16.9836 16.9836 26.5750 26.5750 28.0096 28.0096 28.1294 28.1294 k = 0.0923 0.0533 0.0377 ( 612 PWs) bands (ev): -3.6844 -3.6844 -0.5374 -0.5374 -0.5311 -0.5311 -0.1095 -0.1095 -0.0689 -0.0689 -0.0490 -0.0490 12.1780 12.1780 13.2041 13.2041 13.2361 13.2361 17.0879 17.0879 26.3744 26.3744 27.9000 27.9000 28.0354 28.0354 k = 0.1000 0.0577 0.0408 ( 606 PWs) bands (ev): -3.6549 -3.6549 -0.5382 -0.5382 -0.5308 -0.5308 -0.1087 -0.1087 -0.0717 -0.0717 -0.0485 -0.0485 12.0370 12.0370 13.2079 13.2079 13.2394 13.2394 17.1938 17.1938 26.1786 26.1786 27.7838 27.7838 27.9328 27.9328 k = 0.1077 0.0622 0.0440 ( 606 PWs) bands (ev): -3.6231 -3.6231 -0.5392 -0.5392 -0.5305 -0.5305 -0.1079 -0.1079 -0.0747 -0.0747 -0.0480 -0.0480 11.8918 11.8918 13.2119 13.2119 13.2429 13.2429 17.3004 17.3004 25.9871 25.9871 27.6613 27.6613 27.8218 27.8218 k = 0.1154 0.0666 0.0471 ( 603 PWs) bands (ev): -3.5891 -3.5891 -0.5403 -0.5403 -0.5302 -0.5302 -0.1072 -0.1072 -0.0777 -0.0777 -0.0474 -0.0474 11.7431 11.7431 13.2162 13.2162 13.2466 13.2466 17.4073 17.4073 25.8006 25.8006 27.5337 27.5337 27.7040 27.7040 k = 0.1231 0.0711 0.0502 ( 603 PWs) bands (ev): -3.5528 -3.5528 -0.5415 -0.5415 -0.5301 -0.5301 -0.1067 -0.1067 -0.0806 -0.0806 -0.0467 -0.0467 11.5913 11.5913 13.2207 13.2207 13.2506 13.2506 17.5137 17.5137 25.6193 25.6193 27.4021 27.4021 27.5804 27.5804 k = 0.1308 0.0755 0.0534 ( 603 PWs) bands (ev): -3.5143 -3.5143 -0.5428 -0.5428 -0.5299 -0.5299 -0.1066 -0.1066 -0.0832 -0.0832 -0.0460 -0.0460 11.4369 11.4369 13.2256 13.2256 13.2548 13.2548 17.6190 17.6190 25.4435 25.4435 27.2671 27.2671 27.4521 27.4521 k = 0.1385 0.0799 0.0565 ( 609 PWs) bands (ev): -3.4736 -3.4736 -0.5444 -0.5444 -0.5299 -0.5299 -0.1071 -0.1071 -0.0854 -0.0854 -0.0452 -0.0452 11.2802 11.2802 13.2308 13.2308 13.2593 13.2593 17.7228 17.7228 25.2733 25.2733 27.1296 27.1296 27.3201 27.3201 k = 0.1462 0.0844 0.0597 ( 609 PWs) bands (ev): -3.4308 -3.4308 -0.5460 -0.5460 -0.5298 -0.5298 -0.1084 -0.1084 -0.0867 -0.0867 -0.0443 -0.0443 11.1215 11.1215 13.2363 13.2363 13.2641 13.2641 17.8247 17.8247 25.1091 25.1091 26.9904 26.9904 27.1853 27.1853 k = 0.1538 0.0888 0.0628 ( 597 PWs) bands (ev): -3.3858 -3.3858 -0.5474 -0.5474 -0.5296 -0.5296 -0.1105 -0.1105 -0.0869 -0.0869 -0.0430 -0.0430 10.9612 10.9612 13.2424 13.2424 13.2695 13.2695 17.9243 17.9243 24.9511 24.9511 26.8505 26.8505 27.0492 27.0492 k = 0.1615 0.0933 0.0659 ( 597 PWs) bands (ev): -3.3387 -3.3387 -0.5493 -0.5493 -0.5297 -0.5297 -0.1136 -0.1136 -0.0865 -0.0865 -0.0418 -0.0418 10.7994 10.7994 13.2485 13.2485 13.2748 13.2748 18.0209 18.0209 24.7995 24.7995 26.7091 26.7091 26.9109 26.9109 k = 0.1692 0.0977 0.0691 ( 597 PWs) bands (ev): -3.2896 -3.2896 -0.5513 -0.5513 -0.5298 -0.5298 -0.1173 -0.1173 -0.0855 -0.0855 -0.0405 -0.0405 10.6364 10.6364 13.2549 13.2549 13.2804 13.2804 18.1144 18.1144 24.6546 24.6546 26.5675 26.5675 26.7717 26.7717 k = 0.1769 0.1021 0.0722 ( 598 PWs) bands (ev): -3.2384 -3.2384 -0.5534 -0.5534 -0.5299 -0.5299 -0.1215 -0.1215 -0.0840 -0.0840 -0.0390 -0.0390 10.4725 10.4725 13.2615 13.2615 13.2862 13.2862 18.2042 18.2042 24.5163 24.5163 26.4260 26.4260 26.6322 26.6322 k = 0.1846 0.1066 0.0754 ( 598 PWs) bands (ev): -3.1852 -3.1852 -0.5556 -0.5556 -0.5302 -0.5302 -0.1260 -0.1260 -0.0822 -0.0822 -0.0374 -0.0374 10.3077 10.3077 13.2684 13.2684 13.2923 13.2923 18.2900 18.2900 24.3852 24.3852 26.2849 26.2849 26.4928 26.4928 k = 0.1923 0.1110 0.0785 ( 598 PWs) bands (ev): -3.1300 -3.1300 -0.5580 -0.5580 -0.5304 -0.5304 -0.1308 -0.1308 -0.0801 -0.0801 -0.0357 -0.0357 10.1423 10.1423 13.2756 13.2756 13.2987 13.2987 18.3715 18.3715 24.2613 24.2613 26.1445 26.1445 26.3539 26.3539 k = 0.2000 0.1155 0.0816 ( 592 PWs) bands (ev): -3.0730 -3.0730 -0.5604 -0.5604 -0.5308 -0.5308 -0.1357 -0.1357 -0.0778 -0.0778 -0.0338 -0.0338 9.9765 9.9765 13.2832 13.2832 13.3053 13.3053 18.4483 18.4483 24.1449 24.1449 26.0053 26.0053 26.2159 26.2159 k = 0.2077 0.1199 0.0848 ( 598 PWs) bands (ev): -3.0141 -3.0141 -0.5631 -0.5631 -0.5313 -0.5313 -0.1408 -0.1408 -0.0755 -0.0755 -0.0319 -0.0319 9.8104 9.8104 13.2908 13.2908 13.3121 13.3121 18.5200 18.5200 24.0357 24.0357 25.8671 25.8671 26.0788 26.0788 k = 0.2154 0.1244 0.0879 ( 598 PWs) bands (ev): -2.9534 -2.9534 -0.5659 -0.5659 -0.5318 -0.5318 -0.1460 -0.1460 -0.0729 -0.0729 -0.0298 -0.0298 9.6442 9.6442 13.2988 13.2988 13.3191 13.3191 18.5864 18.5864 23.9346 23.9346 25.7306 25.7306 25.9431 25.9431 k = 0.2231 0.1288 0.0911 ( 598 PWs) bands (ev): -2.8909 -2.8909 -0.5687 -0.5687 -0.5324 -0.5324 -0.1513 -0.1513 -0.0702 -0.0702 -0.0276 -0.0276 9.4782 9.4782 13.3069 13.3069 13.3264 13.3264 18.6472 18.6472 23.8412 23.8412 25.5959 25.5959 25.8091 25.8091 k = 0.2308 0.1332 0.0942 ( 601 PWs) bands (ev): -2.8268 -2.8268 -0.5717 -0.5717 -0.5332 -0.5332 -0.1566 -0.1566 -0.0675 -0.0675 -0.0254 -0.0254 9.3122 9.3122 13.3153 13.3153 13.3338 13.3338 18.7020 18.7020 23.7558 23.7558 25.4630 25.4630 25.6769 25.6769 k = 0.2385 0.1377 0.0974 ( 601 PWs) bands (ev): -2.7611 -2.7611 -0.5748 -0.5748 -0.5339 -0.5339 -0.1620 -0.1620 -0.0646 -0.0646 -0.0229 -0.0229 9.1467 9.1467 13.3239 13.3239 13.3415 13.3415 18.7511 18.7511 23.6783 23.6783 25.3323 25.3323 25.5467 25.5467 k = 0.2462 0.1421 0.1005 ( 607 PWs) bands (ev): -2.6938 -2.6938 -0.5780 -0.5780 -0.5348 -0.5348 -0.1674 -0.1674 -0.0618 -0.0618 -0.0206 -0.0206 8.9818 8.9818 13.3326 13.3326 13.3492 13.3492 18.7940 18.7940 23.6086 23.6086 25.2036 25.2036 25.4185 25.4185 k = 0.2538 0.1466 0.1036 ( 607 PWs) bands (ev): -2.6250 -2.6250 -0.5813 -0.5813 -0.5357 -0.5357 -0.1728 -0.1728 -0.0588 -0.0588 -0.0180 -0.0180 8.8175 8.8175 13.3415 13.3415 13.3572 13.3572 18.8308 18.8308 23.5468 23.5468 25.0775 25.0775 25.2928 25.2928 k = 0.2615 0.1510 0.1068 ( 607 PWs) bands (ev): -2.5549 -2.5549 -0.5847 -0.5847 -0.5367 -0.5367 -0.1781 -0.1781 -0.0557 -0.0557 -0.0153 -0.0153 8.6542 8.6542 13.3506 13.3506 13.3653 13.3653 18.8615 18.8615 23.4926 23.4926 24.9540 24.9540 25.1697 25.1697 k = 0.2692 0.1554 0.1099 ( 607 PWs) bands (ev): -2.4835 -2.4835 -0.5881 -0.5881 -0.5378 -0.5378 -0.1835 -0.1835 -0.0526 -0.0526 -0.0125 -0.0125 8.4919 8.4919 13.3598 13.3598 13.3736 13.3736 18.8863 18.8863 23.4458 23.4458 24.8331 24.8331 25.0491 25.0491 k = 0.2769 0.1599 0.1131 ( 607 PWs) bands (ev): -2.4109 -2.4109 -0.5915 -0.5915 -0.5389 -0.5389 -0.1888 -0.1888 -0.0495 -0.0495 -0.0096 -0.0096 8.3308 8.3308 13.3691 13.3691 13.3820 13.3820 18.9052 18.9052 23.4061 23.4061 24.7150 24.7150 24.9314 24.9314 k = 0.2846 0.1643 0.1162 ( 607 PWs) bands (ev): -2.3372 -2.3372 -0.5950 -0.5950 -0.5400 -0.5400 -0.1941 -0.1941 -0.0464 -0.0464 -0.0067 -0.0067 8.1711 8.1711 13.3785 13.3785 13.3904 13.3904 18.9185 18.9185 23.3731 23.3731 24.5999 24.5999 24.8165 24.8165 k = 0.2923 0.1688 0.1193 ( 607 PWs) bands (ev): -2.2625 -2.2625 -0.5985 -0.5985 -0.5413 -0.5413 -0.1994 -0.1994 -0.0432 -0.0432 -0.0038 -0.0038 8.0130 8.0130 13.3880 13.3880 13.3990 13.3990 18.9265 18.9265 23.3465 23.3465 24.4878 24.4878 24.7047 24.7047 k = 0.3000 0.1732 0.1225 ( 610 PWs) bands (ev): -2.1870 -2.1870 -0.6022 -0.6022 -0.5426 -0.5426 -0.2046 -0.2046 -0.0401 -0.0401 -0.0008 -0.0008 7.8567 7.8567 13.3975 13.3975 13.4076 13.4076 18.9296 18.9296 23.3257 23.3257 24.3788 24.3788 24.5959 24.5959 k = 0.3077 0.1776 0.1256 ( 610 PWs) bands (ev): -2.1107 -2.1107 -0.6057 -0.6057 -0.5439 -0.5439 -0.2098 -0.2098 -0.0371 -0.0371 0.0021 0.0021 7.7023 7.7023 13.4070 13.4070 13.4162 13.4162 18.9282 18.9282 23.3103 23.3103 24.2731 24.2731 24.4904 24.4904 k = 0.3154 0.1821 0.1288 ( 610 PWs) bands (ev): -2.0340 -2.0340 -0.6092 -0.6092 -0.5453 -0.5453 -0.2148 -0.2148 -0.0341 -0.0341 0.0051 0.0051 7.5501 7.5501 13.4165 13.4165 13.4248 13.4248 18.9227 18.9227 23.2998 23.2998 24.1707 24.1707 24.3882 24.3882 k = 0.3231 0.1865 0.1319 ( 613 PWs) bands (ev): -1.9568 -1.9568 -0.6127 -0.6127 -0.5467 -0.5467 -0.2198 -0.2198 -0.0312 -0.0312 0.0080 0.0080 7.4002 7.4002 13.4260 13.4260 13.4333 13.4333 18.9135 18.9135 23.2935 23.2935 24.0717 24.0717 24.2893 24.2893 k = 0.3308 0.1910 0.1350 ( 613 PWs) bands (ev): -1.8793 -1.8793 -0.6162 -0.6162 -0.5482 -0.5482 -0.2247 -0.2247 -0.0283 -0.0283 0.0110 0.0110 7.2530 7.2530 13.4353 13.4353 13.4418 13.4418 18.9012 18.9012 23.2910 23.2910 23.9763 23.9763 24.1940 24.1940 k = 0.3385 0.1954 0.1382 ( 613 PWs) bands (ev): -1.8018 -1.8018 -0.6196 -0.6196 -0.5497 -0.5497 -0.2295 -0.2295 -0.0255 -0.0255 0.0140 0.0140 7.1087 7.1087 13.4446 13.4446 13.4502 13.4502 18.8863 18.8863 23.2917 23.2917 23.8846 23.8846 24.1023 24.1023 k = 0.3462 0.1999 0.1413 ( 610 PWs) bands (ev): -1.7245 -1.7245 -0.6229 -0.6229 -0.5511 -0.5511 -0.2342 -0.2342 -0.0228 -0.0228 0.0169 0.0169 6.9676 6.9676 13.4539 13.4539 13.4587 13.4587 18.8690 18.8690 23.2951 23.2951 23.7966 23.7966 24.0143 24.0143 k = 0.3538 0.2043 0.1445 ( 610 PWs) bands (ev): -1.6475 -1.6475 -0.6262 -0.6262 -0.5526 -0.5526 -0.2388 -0.2388 -0.0202 -0.0202 0.0198 0.0198 6.8298 6.8298 13.4629 13.4629 13.4668 13.4668 18.8500 18.8500 23.3006 23.3006 23.7125 23.7125 23.9300 23.9300 k = 0.3615 0.2087 0.1476 ( 610 PWs) bands (ev): -1.5711 -1.5711 -0.6294 -0.6294 -0.5541 -0.5541 -0.2434 -0.2434 -0.0178 -0.0178 0.0225 0.0225 6.6957 6.6957 13.4717 13.4717 13.4748 13.4748 18.8297 18.8297 23.3078 23.3078 23.6325 23.6325 23.8495 23.8495 k = 0.3692 0.2132 0.1507 ( 607 PWs) bands (ev): -1.4956 -1.4956 -0.6324 -0.6324 -0.5557 -0.5557 -0.2479 -0.2479 -0.0155 -0.0155 0.0253 0.0253 6.5656 6.5656 13.4802 13.4802 13.4826 13.4826 18.8084 18.8084 23.3158 23.3158 23.5570 23.5570 23.7729 23.7729 k = 0.3769 0.2176 0.1539 ( 607 PWs) bands (ev): -1.4211 -1.4211 -0.6354 -0.6354 -0.5572 -0.5572 -0.2524 -0.2524 -0.0134 -0.0134 0.0279 0.0279 6.4399 6.4399 13.4885 13.4885 13.4901 13.4901 18.7865 18.7865 23.3237 23.3237 23.4866 23.4866 23.7003 23.7003 k = 0.3846 0.2221 0.1570 ( 607 PWs) bands (ev): -1.3481 -1.3481 -0.6382 -0.6382 -0.5587 -0.5587 -0.2568 -0.2568 -0.0115 -0.0115 0.0304 0.0304 6.3188 6.3188 13.4964 13.4964 13.4973 13.4973 18.7645 18.7645 23.3283 23.3283 23.4242 23.4242 23.6317 23.6317 k = 0.3923 0.2265 0.1602 ( 607 PWs) bands (ev): -1.2767 -1.2767 -0.6410 -0.6410 -0.5603 -0.5603 -0.2611 -0.2611 -0.0097 -0.0097 0.0328 0.0328 6.2027 6.2027 13.5041 13.5041 13.5043 13.5043 18.7425 18.7425 23.3159 23.3159 23.3833 23.3833 23.5673 23.5673 k = 0.4000 0.2309 0.1633 ( 604 PWs) bands (ev): -1.2073 -1.2073 -0.6435 -0.6435 -0.5617 -0.5617 -0.2654 -0.2654 -0.0081 -0.0081 0.0351 0.0351 6.0921 6.0921 13.5109 13.5109 13.5113 13.5113 18.7209 18.7209 23.2731 23.2731 23.3774 23.3774 23.5070 23.5070 k = 0.4077 0.2354 0.1664 ( 604 PWs) bands (ev): -1.1402 -1.1402 -0.6460 -0.6460 -0.5633 -0.5633 -0.2698 -0.2698 -0.0068 -0.0068 0.0372 0.0372 5.9873 5.9873 13.5172 13.5172 13.5182 13.5182 18.6999 18.6999 23.2218 23.2218 23.3839 23.3839 23.4509 23.4509 k = 0.4154 0.2398 0.1696 ( 604 PWs) bands (ev): -1.0759 -1.0759 -0.6482 -0.6482 -0.5649 -0.5649 -0.2741 -0.2741 -0.0057 -0.0057 0.0392 0.0392 5.8887 5.8887 13.5231 13.5231 13.5246 13.5246 18.6798 18.6798 23.1718 23.1718 23.3930 23.3930 23.3991 23.3991 k = 0.4231 0.2443 0.1727 ( 604 PWs) bands (ev): -1.0146 -1.0146 -0.6503 -0.6503 -0.5666 -0.5666 -0.2785 -0.2785 -0.0048 -0.0048 0.0411 0.0411 5.7967 5.7967 13.5285 13.5285 13.5306 13.5306 18.6609 18.6609 23.1252 23.1252 23.3516 23.3516 23.4026 23.4026 k = 0.4308 0.2487 0.1759 ( 604 PWs) bands (ev): -0.9567 -0.9567 -0.6523 -0.6523 -0.5683 -0.5683 -0.2829 -0.2829 -0.0041 -0.0041 0.0428 0.0428 5.7118 5.7118 13.5336 13.5336 13.5361 13.5361 18.6432 18.6432 23.0826 23.0826 23.3085 23.3085 23.4120 23.4120 k = 0.4385 0.2531 0.1790 ( 604 PWs) bands (ev): -0.9025 -0.9025 -0.6540 -0.6540 -0.5702 -0.5702 -0.2873 -0.2873 -0.0036 -0.0036 0.0443 0.0443 5.6343 5.6343 13.5381 13.5381 13.5411 13.5411 18.6269 18.6269 23.0442 23.0442 23.2698 23.2698 23.4209 23.4209 k = 0.4462 0.2576 0.1821 ( 604 PWs) bands (ev): -0.8526 -0.8526 -0.6555 -0.6555 -0.5723 -0.5723 -0.2918 -0.2918 -0.0033 -0.0033 0.0457 0.0457 5.5648 5.5648 13.5422 13.5422 13.5456 13.5456 18.6123 18.6123 23.0101 23.0101 23.2356 23.2356 23.4290 23.4290 k = 0.4538 0.2620 0.1853 ( 610 PWs) bands (ev): -0.8072 -0.8072 -0.6570 -0.6570 -0.5747 -0.5747 -0.2962 -0.2962 -0.0032 -0.0032 0.0468 0.0468 5.5035 5.5035 13.5458 13.5458 13.5495 13.5495 18.5993 18.5993 22.9805 22.9805 23.2058 23.2058 23.4359 23.4359 k = 0.4615 0.2665 0.1884 ( 616 PWs) bands (ev): -0.7668 -0.7668 -0.6581 -0.6581 -0.5775 -0.5775 -0.3004 -0.3004 -0.0032 -0.0032 0.0478 0.0478 5.4510 5.4510 13.5488 13.5488 13.5528 13.5528 18.5882 18.5882 22.9553 22.9553 23.1806 23.1806 23.4419 23.4419 k = 0.4692 0.2709 0.1916 ( 610 PWs) bands (ev): -0.7315 -0.7315 -0.6590 -0.6590 -0.5806 -0.5806 -0.3043 -0.3043 -0.0032 -0.0032 0.0487 0.0487 5.4075 5.4075 13.5513 13.5513 13.5555 13.5555 18.5790 18.5790 22.9347 22.9347 23.1600 23.1600 23.4476 23.4476 k = 0.4769 0.2754 0.1947 ( 610 PWs) bands (ev): -0.7021 -0.7021 -0.6598 -0.6598 -0.5844 -0.5844 -0.3077 -0.3077 -0.0033 -0.0033 0.0494 0.0494 5.3733 5.3733 13.5533 13.5533 13.5577 13.5577 18.5718 18.5718 22.9186 22.9186 23.1439 23.1439 23.4517 23.4517 k = 0.4846 0.2798 0.1978 ( 610 PWs) bands (ev): -0.6792 -0.6792 -0.6603 -0.6603 -0.5886 -0.5886 -0.3104 -0.3104 -0.0034 -0.0034 0.0499 0.0499 5.3487 5.3487 13.5547 13.5547 13.5593 13.5593 18.5666 18.5666 22.9071 22.9071 23.1323 23.1323 23.4546 23.4546 k = 0.4923 0.2842 0.2010 ( 610 PWs) bands (ev): -0.6639 -0.6639 -0.6606 -0.6606 -0.5924 -0.5924 -0.3121 -0.3121 -0.0034 -0.0034 0.0501 0.0501 5.3339 5.3339 13.5556 13.5556 13.5602 13.5602 18.5634 18.5634 22.9002 22.9002 23.1254 23.1254 23.4564 23.4564 k = 0.5000 0.2887 0.2041 ( 610 PWs) bands (ev): -0.6607 -0.6607 -0.6584 -0.6584 -0.5941 -0.5941 -0.3127 -0.3127 -0.0034 -0.0034 0.0502 0.0502 5.3290 5.3290 13.5559 13.5559 13.5605 13.5605 18.5624 18.5624 22.8979 22.8979 23.1231 23.1231 23.4570 23.4570 k = 0.5000 0.2887 0.2041 ( 610 PWs) bands (ev): -0.6607 -0.6607 -0.6584 -0.6584 -0.5941 -0.5941 -0.3127 -0.3127 -0.0034 -0.0034 0.0502 0.0502 5.3290 5.3290 13.5559 13.5559 13.5605 13.5605 18.5624 18.5624 22.8979 22.8979 23.1231 23.1231 23.4570 23.4570 k = 0.5027 0.2808 0.2086 ( 610 PWs) bands (ev): -0.6731 -0.6731 -0.6590 -0.6590 -0.5842 -0.5842 -0.3097 -0.3097 -0.0031 -0.0031 0.0514 0.0514 5.3300 5.3300 13.5498 13.5498 13.5571 13.5571 18.5690 18.5690 22.8780 22.8780 23.0981 23.0981 23.5012 23.5012 k = 0.5054 0.2730 0.2130 ( 610 PWs) bands (ev): -0.7011 -0.7011 -0.6587 -0.6587 -0.5659 -0.5659 -0.3009 -0.3009 -0.0021 -0.0021 0.0551 0.0551 5.3332 5.3332 13.5277 13.5277 13.5507 13.5507 18.5887 18.5887 22.8100 22.8100 23.0667 23.0667 23.5986 23.5986 k = 0.5082 0.2651 0.2174 ( 610 PWs) bands (ev): -0.7346 -0.7346 -0.6580 -0.6580 -0.5481 -0.5481 -0.2873 -0.2873 -0.0007 -0.0007 0.0617 0.0617 5.3385 5.3385 13.4906 13.4906 13.5409 13.5409 18.6210 18.6210 22.6988 22.6988 23.0608 23.0608 23.7126 23.7126 k = 0.5109 0.2573 0.2219 ( 610 PWs) bands (ev): -0.7706 -0.7706 -0.6571 -0.6571 -0.5327 -0.5327 -0.2701 -0.2701 0.0009 0.0009 0.0719 0.0719 5.3460 5.3460 13.4394 13.4394 13.5274 13.5274 18.6653 18.6653 22.5651 22.5651 23.0732 23.0732 23.8295 23.8295 k = 0.5136 0.2495 0.2263 ( 611 PWs) bands (ev): -0.8079 -0.8079 -0.6559 -0.6559 -0.5199 -0.5199 -0.2509 -0.2509 0.0025 0.0025 0.0865 0.0865 5.3555 5.3555 13.3748 13.3748 13.5103 13.5103 18.7206 18.7206 22.4212 22.4212 23.0967 23.0967 23.9442 23.9442 k = 0.5163 0.2416 0.2307 ( 610 PWs) bands (ev): -0.8459 -0.8459 -0.6544 -0.6544 -0.5092 -0.5092 -0.2316 -0.2316 0.0040 0.0040 0.1063 0.1063 5.3673 5.3673 13.2979 13.2979 13.4896 13.4896 18.7858 18.7858 22.2727 22.2727 23.1286 23.1286 24.0542 24.0542 k = 0.5190 0.2338 0.2352 ( 610 PWs) bands (ev): -0.8842 -0.8842 -0.6527 -0.6527 -0.4999 -0.4999 -0.2134 -0.2134 0.0053 0.0053 0.1315 0.1315 5.3812 5.3812 13.2096 13.2096 13.4653 13.4653 18.8596 18.8596 22.1225 22.1225 23.1675 23.1675 24.1583 24.1583 k = 0.5217 0.2259 0.2396 ( 610 PWs) bands (ev): -0.9225 -0.9225 -0.6508 -0.6508 -0.4917 -0.4917 -0.1972 -0.1972 0.0063 0.0063 0.1624 0.1624 5.3972 5.3972 13.1108 13.1108 13.4377 13.4377 18.9406 18.9406 21.9724 21.9724 23.2128 23.2128 24.2554 24.2554 k = 0.5245 0.2181 0.2441 ( 610 PWs) bands (ev): -0.9606 -0.9606 -0.6488 -0.6488 -0.4841 -0.4841 -0.1835 -0.1835 0.0072 0.0072 0.1988 0.1988 5.4154 5.4154 13.0026 13.0026 13.4069 13.4069 19.0273 19.0273 21.8240 21.8240 23.2639 23.2639 24.3452 24.3452 k = 0.5272 0.2102 0.2485 ( 610 PWs) bands (ev): -0.9983 -0.9983 -0.6465 -0.6465 -0.4769 -0.4769 -0.1722 -0.1722 0.0079 0.0079 0.2400 0.2400 5.4358 5.4358 12.8860 12.8860 13.3731 13.3731 19.1178 19.1178 21.6789 21.6789 23.3207 23.3207 24.4271 24.4271 k = 0.5299 0.2024 0.2529 ( 610 PWs) bands (ev): -1.0356 -1.0356 -0.6440 -0.6440 -0.4698 -0.4698 -0.1631 -0.1631 0.0085 0.0085 0.2854 0.2854 5.4584 5.4584 12.7617 12.7617 13.3364 13.3364 19.2101 19.2101 21.5388 21.5388 23.3827 23.3827 24.5011 24.5011 k = 0.5326 0.1945 0.2574 ( 610 PWs) bands (ev): -1.0723 -1.0723 -0.6414 -0.6414 -0.4628 -0.4628 -0.1559 -0.1559 0.0091 0.0091 0.3345 0.3345 5.4832 5.4832 12.6307 12.6307 13.2969 13.2969 19.3018 19.3018 21.4058 21.4058 23.4497 23.4497 24.5673 24.5673 k = 0.5353 0.1867 0.2618 ( 610 PWs) bands (ev): -1.1084 -1.1084 -0.6386 -0.6386 -0.4557 -0.4557 -0.1501 -0.1501 0.0097 0.0097 0.3867 0.3867 5.5103 5.5103 12.4938 12.4938 13.2550 13.2550 19.3896 19.3896 21.2827 21.2827 23.5213 23.5213 24.6257 24.6257 k = 0.5380 0.1789 0.2662 ( 610 PWs) bands (ev): -1.1438 -1.1438 -0.6357 -0.6357 -0.4485 -0.4485 -0.1456 -0.1456 0.0103 0.0103 0.4415 0.4415 5.5396 5.5396 12.3516 12.3516 13.2107 13.2107 19.4695 19.4695 21.1731 21.1731 23.5973 23.5973 24.6764 24.6764 k = 0.5408 0.1710 0.2707 ( 613 PWs) bands (ev): -1.1785 -1.1785 -0.6328 -0.6328 -0.4412 -0.4412 -0.1421 -0.1421 0.0108 0.0108 0.4985 0.4985 5.5712 5.5712 12.2047 12.2047 13.1642 13.1642 19.5364 19.5364 21.0817 21.0817 23.6774 23.6774 24.7199 24.7199 k = 0.5435 0.1632 0.2751 ( 613 PWs) bands (ev): -1.2125 -1.2125 -0.6298 -0.6298 -0.4336 -0.4336 -0.1393 -0.1393 0.0115 0.0115 0.5574 0.5574 5.6051 5.6051 12.0538 12.0538 13.1158 13.1158 19.5842 19.5842 21.0143 21.0143 23.7613 23.7613 24.7565 24.7565 k = 0.5462 0.1553 0.2796 ( 610 PWs) bands (ev): -1.2457 -1.2457 -0.6266 -0.6266 -0.4257 -0.4257 -0.1372 -0.1372 0.0122 0.0122 0.6180 0.6180 5.6413 5.6413 11.8994 11.8994 13.0657 13.0657 19.6069 19.6069 20.9764 20.9764 23.8486 23.8486 24.7870 24.7870 k = 0.5489 0.1475 0.2840 ( 609 PWs) bands (ev): -1.2781 -1.2781 -0.6234 -0.6234 -0.4176 -0.4176 -0.1355 -0.1355 0.0130 0.0130 0.6800 0.6800 5.6797 5.6797 11.7420 11.7420 13.0140 13.0140 19.6007 19.6007 20.9715 20.9715 23.9391 23.9391 24.8111 24.8111 k = 0.5516 0.1396 0.2884 ( 609 PWs) bands (ev): -1.3097 -1.3097 -0.6203 -0.6203 -0.4094 -0.4094 -0.1343 -0.1343 0.0139 0.0139 0.7432 0.7432 5.7206 5.7206 11.5821 11.5821 12.9609 12.9609 19.5659 19.5659 20.9990 20.9990 24.0324 24.0324 24.8298 24.8298 k = 0.5543 0.1318 0.2929 ( 609 PWs) bands (ev): -1.3405 -1.3405 -0.6172 -0.6172 -0.4010 -0.4010 -0.1334 -0.1334 0.0149 0.0149 0.8075 0.8075 5.7638 5.7638 11.4200 11.4200 12.9066 12.9066 19.5063 19.5063 21.0545 21.0545 24.1282 24.1282 24.8435 24.8435 k = 0.5571 0.1239 0.2973 ( 609 PWs) bands (ev): -1.3704 -1.3704 -0.6141 -0.6141 -0.3924 -0.3924 -0.1327 -0.1327 0.0159 0.0159 0.8727 0.8727 5.8093 5.8093 11.2561 11.2561 12.8513 12.8513 19.4279 19.4279 21.1318 21.1318 24.2260 24.2260 24.8528 24.8528 k = 0.5598 0.1161 0.3017 ( 609 PWs) bands (ev): -1.3996 -1.3996 -0.6110 -0.6110 -0.3836 -0.3836 -0.1323 -0.1323 0.0171 0.0171 0.9387 0.9387 5.8573 5.8573 11.0909 11.0909 12.7952 12.7952 19.3362 19.3362 21.2249 21.2249 24.3256 24.3256 24.8585 24.8585 k = 0.5625 0.1083 0.3062 ( 611 PWs) bands (ev): -1.4279 -1.4279 -0.6080 -0.6080 -0.3747 -0.3747 -0.1322 -0.1322 0.0184 0.0184 1.0055 1.0055 5.9076 5.9076 10.9245 10.9245 12.7384 12.7384 19.2358 19.2358 21.3288 21.3288 24.4263 24.4263 24.8611 24.8611 k = 0.5652 0.1004 0.3106 ( 611 PWs) bands (ev): -1.4554 -1.4554 -0.6051 -0.6051 -0.3657 -0.3657 -0.1321 -0.1321 0.0199 0.0199 1.0727 1.0727 5.9604 5.9604 10.7574 10.7574 12.6811 12.6811 19.1299 19.1299 21.4399 21.4399 24.5276 24.5276 24.8617 24.8617 k = 0.5679 0.0926 0.3151 ( 611 PWs) bands (ev): -1.4821 -1.4821 -0.6022 -0.6022 -0.3565 -0.3565 -0.1322 -0.1322 0.0214 0.0214 1.1405 1.1405 6.0155 6.0155 10.5900 10.5900 12.6234 12.6234 19.0208 19.0208 21.5551 21.5551 24.6279 24.6279 24.8620 24.8620 k = 0.5707 0.0847 0.3195 ( 615 PWs) bands (ev): -1.5081 -1.5081 -0.5995 -0.5995 -0.3473 -0.3473 -0.1324 -0.1324 0.0231 0.0231 1.2085 1.2085 6.0731 6.0731 10.4224 10.4224 12.5656 12.5656 18.9103 18.9103 21.6722 21.6722 24.7227 24.7227 24.8668 24.8668 k = 0.5734 0.0769 0.3239 ( 615 PWs) bands (ev): -1.5331 -1.5331 -0.5970 -0.5970 -0.3379 -0.3379 -0.1326 -0.1326 0.0250 0.0250 1.2767 1.2767 6.1331 6.1331 10.2551 10.2551 12.5077 12.5077 18.7994 18.7994 21.7899 21.7899 24.7917 24.7917 24.8969 24.8969 k = 0.5761 0.0690 0.3284 ( 613 PWs) bands (ev): -1.5574 -1.5574 -0.5944 -0.5944 -0.3285 -0.3285 -0.1329 -0.1329 0.0270 0.0270 1.3450 1.3450 6.1955 6.1955 10.0884 10.0884 12.4500 12.4500 18.6890 18.6890 21.9065 21.9065 24.8125 24.8125 24.9749 24.9749 k = 0.5788 0.0612 0.3328 ( 615 PWs) bands (ev): -1.5807 -1.5807 -0.5922 -0.5922 -0.3192 -0.3192 -0.1333 -0.1333 0.0291 0.0291 1.4132 1.4132 6.2603 6.2603 9.9225 9.9225 12.3923 12.3923 18.5796 18.5796 22.0205 22.0205 24.8141 24.8141 25.0721 25.0721 k = 0.5815 0.0533 0.3372 ( 615 PWs) bands (ev): -1.6034 -1.6034 -0.5900 -0.5900 -0.3098 -0.3098 -0.1337 -0.1337 0.0313 0.0313 1.4811 1.4811 6.3276 6.3276 9.7578 9.7578 12.3351 12.3351 18.4718 18.4718 22.1311 22.1311 24.8121 24.8121 25.1733 25.1733 k = 0.5842 0.0455 0.3417 ( 615 PWs) bands (ev): -1.6252 -1.6252 -0.5880 -0.5880 -0.3005 -0.3005 -0.1340 -0.1340 0.0337 0.0337 1.5486 1.5486 6.3972 6.3972 9.5946 9.5946 12.2783 12.2783 18.3657 18.3657 22.2369 22.2369 24.8101 24.8101 25.2754 25.2754 k = 0.5870 0.0377 0.3461 ( 615 PWs) bands (ev): -1.6463 -1.6463 -0.5861 -0.5861 -0.2913 -0.2913 -0.1344 -0.1344 0.0362 0.0362 1.6156 1.6156 6.4691 6.4691 9.4331 9.4331 12.2221 12.2221 18.2617 18.2617 22.3371 22.3371 24.8098 24.8098 25.3770 25.3770 k = 0.5897 0.0298 0.3506 ( 614 PWs) bands (ev): -1.6667 -1.6667 -0.5844 -0.5844 -0.2821 -0.2821 -0.1347 -0.1347 0.0388 0.0388 1.6817 1.6817 6.5434 6.5434 9.2739 9.2739 12.1666 12.1666 18.1600 18.1600 22.4307 22.4307 24.8121 24.8121 25.4776 25.4776 k = 0.5924 0.0220 0.3550 ( 614 PWs) bands (ev): -1.6863 -1.6863 -0.5828 -0.5828 -0.2731 -0.2731 -0.1350 -0.1350 0.0415 0.0415 1.7469 1.7469 6.6198 6.6198 9.1173 9.1173 12.1119 12.1119 18.0606 18.0606 22.5165 22.5165 24.8179 24.8179 25.5769 25.5769 k = 0.5951 0.0141 0.3594 ( 614 PWs) bands (ev): -1.7052 -1.7052 -0.5815 -0.5815 -0.2642 -0.2642 -0.1352 -0.1352 0.0443 0.0443 1.8108 1.8108 6.6985 6.6985 8.9636 8.9636 12.0581 12.0581 17.9637 17.9637 22.5938 22.5938 24.8277 24.8277 25.6745 25.6745 k = 0.5978 0.0063 0.3639 ( 612 PWs) bands (ev): -1.7232 -1.7232 -0.5803 -0.5803 -0.2555 -0.2555 -0.1354 -0.1354 0.0472 0.0472 1.8733 1.8733 6.7791 6.7791 8.8135 8.8135 12.0052 12.0052 17.8693 17.8693 22.6620 22.6620 24.8420 24.8420 25.7701 25.7701 k = 0.6005-0.0016 0.3683 ( 612 PWs) bands (ev): -1.7406 -1.7406 -0.5792 -0.5792 -0.2471 -0.2471 -0.1355 -0.1355 0.0502 0.0502 1.9340 1.9340 6.8616 6.8616 8.6673 8.6673 11.9535 11.9535 17.7775 17.7775 22.7207 22.7207 24.8607 24.8607 25.8636 25.8636 k = 0.6033-0.0094 0.3727 ( 612 PWs) bands (ev): -1.7573 -1.7573 -0.5783 -0.5783 -0.2389 -0.2389 -0.1355 -0.1355 0.0532 0.0532 1.9926 1.9926 6.9456 6.9456 8.5258 8.5258 11.9030 11.9030 17.6884 17.6884 22.7695 22.7695 24.8840 24.8840 25.9547 25.9547 k = 0.6060-0.0173 0.3772 ( 612 PWs) bands (ev): -1.7733 -1.7733 -0.5776 -0.5776 -0.2310 -0.2310 -0.1354 -0.1354 0.0562 0.0562 2.0488 2.0488 7.0308 7.0308 8.3898 8.3898 11.8538 11.8538 17.6019 17.6019 22.8086 22.8086 24.9114 24.9114 26.0433 26.0433 k = 0.6087-0.0251 0.3816 ( 616 PWs) bands (ev): -1.7887 -1.7887 -0.5770 -0.5770 -0.2235 -0.2235 -0.1351 -0.1351 0.0592 0.0592 2.1023 2.1023 7.1164 7.1164 8.2603 8.2603 11.8057 11.8057 17.5181 17.5181 22.8380 22.8380 24.9423 24.9423 26.1290 26.1290 k = 0.6114-0.0329 0.3861 ( 616 PWs) bands (ev): -1.8034 -1.8034 -0.5765 -0.5765 -0.2164 -0.2164 -0.1346 -0.1346 0.0622 0.0622 2.1526 2.1526 7.2011 7.2011 8.1392 8.1392 11.7591 11.7591 17.4371 17.4371 22.8586 22.8586 24.9760 24.9760 26.2121 26.2121 k = 0.6141-0.0408 0.3905 ( 618 PWs) bands (ev): -1.8174 -1.8174 -0.5762 -0.5762 -0.2098 -0.2098 -0.1339 -0.1339 0.0652 0.0652 2.1994 2.1994 7.2826 7.2826 8.0292 8.0292 11.7140 11.7140 17.3588 17.3588 22.8707 22.8707 25.0115 25.0115 26.2923 26.2923 k = 0.6168-0.0486 0.3949 ( 620 PWs) bands (ev): -1.8309 -1.8309 -0.5760 -0.5760 -0.2038 -0.2038 -0.1328 -0.1328 0.0682 0.0682 2.2422 2.2422 7.3555 7.3555 7.9362 7.9362 11.6705 11.6705 17.2832 17.2832 22.8752 22.8752 25.0476 25.0476 26.3695 26.3695 k = 0.6196-0.0565 0.3994 ( 618 PWs) bands (ev): -1.8437 -1.8437 -0.5758 -0.5758 -0.1982 -0.1982 -0.1314 -0.1314 0.0712 0.0712 2.2806 2.2806 7.4089 7.4089 7.8715 7.8715 11.6286 11.6286 17.2104 17.2104 22.8731 22.8731 25.0834 25.0834 26.4437 26.4437 k = 0.6223-0.0643 0.4038 ( 618 PWs) bands (ev): -1.8560 -1.8560 -0.5758 -0.5758 -0.1933 -0.1933 -0.1295 -0.1295 0.0741 0.0741 2.3140 2.3140 7.4258 7.4258 7.8526 7.8526 11.5883 11.5883 17.1404 17.1404 22.8651 22.8651 25.1175 25.1175 26.5148 26.5148 k = 0.6250-0.0722 0.4082 ( 618 PWs) bands (ev): -1.8677 -1.8677 -0.5758 -0.5758 -0.1891 -0.1891 -0.1273 -0.1273 0.0770 0.0770 2.3421 2.3421 7.4008 7.4008 7.8853 7.8853 11.5497 11.5497 17.0732 17.0732 22.8522 22.8522 25.1490 25.1490 26.5828 26.5828 k = 0.6250-0.0722 0.4082 ( 618 PWs) bands (ev): -1.8677 -1.8677 -0.5758 -0.5758 -0.1891 -0.1891 -0.1273 -0.1273 0.0770 0.0770 2.3421 2.3421 7.4008 7.4008 7.8853 7.8853 11.5497 11.5497 17.0732 17.0732 22.8522 22.8522 25.1490 25.1490 26.5828 26.5828 k = 0.6204-0.0695 0.4158 ( 618 PWs) bands (ev): -1.8676 -1.8676 -0.5757 -0.5757 -0.1896 -0.1896 -0.1270 -0.1270 0.0769 0.0769 2.3427 2.3427 7.4020 7.4020 7.8864 7.8864 11.5417 11.5417 17.0810 17.0810 22.8536 22.8536 25.1477 25.1477 26.5704 26.5704 k = 0.6157-0.0668 0.4234 ( 618 PWs) bands (ev): -1.8673 -1.8673 -0.5755 -0.5755 -0.1909 -0.1909 -0.1262 -0.1262 0.0768 0.0768 2.3443 2.3443 7.4056 7.4056 7.8896 7.8896 11.5177 11.5177 17.1044 17.1044 22.8577 22.8577 25.1435 25.1435 26.5339 26.5339 k = 0.6111-0.0642 0.4309 ( 622 PWs) bands (ev): -1.8669 -1.8669 -0.5753 -0.5753 -0.1930 -0.1930 -0.1250 -0.1250 0.0764 0.0764 2.3469 2.3469 7.4115 7.4115 7.8950 7.8950 11.4784 11.4784 17.1428 17.1428 22.8644 22.8644 25.1365 25.1365 26.4755 26.4755 k = 0.6065-0.0615 0.4385 ( 622 PWs) bands (ev): -1.8662 -1.8662 -0.5748 -0.5748 -0.1957 -0.1957 -0.1234 -0.1234 0.0760 0.0760 2.3506 2.3506 7.4199 7.4199 7.9025 7.9025 11.4245 11.4245 17.1952 17.1952 22.8740 22.8740 25.1269 25.1269 26.3983 26.3983 k = 0.6019-0.0588 0.4460 ( 622 PWs) bands (ev): -1.8653 -1.8653 -0.5743 -0.5743 -0.1989 -0.1989 -0.1217 -0.1217 0.0756 0.0756 2.3552 2.3552 7.4306 7.4306 7.9122 7.9122 11.3571 11.3571 17.2606 17.2606 22.8864 22.8864 25.1145 25.1145 26.3057 26.3057 k = 0.5972-0.0561 0.4536 ( 614 PWs) bands (ev): -1.8642 -1.8642 -0.5735 -0.5735 -0.2024 -0.2024 -0.1196 -0.1196 0.0752 0.0752 2.3608 2.3608 7.4438 7.4438 7.9240 7.9240 11.2775 11.2775 17.3376 17.3376 22.9018 22.9018 25.0996 25.0996 26.2012 26.2012 k = 0.5926-0.0535 0.4612 ( 614 PWs) bands (ev): -1.8630 -1.8630 -0.5727 -0.5727 -0.2063 -0.2063 -0.1177 -0.1177 0.0746 0.0746 2.3674 2.3674 7.4593 7.4593 7.9378 7.9378 11.1867 11.1867 17.4246 17.4246 22.9200 22.9200 25.0818 25.0818 26.0872 26.0872 k = 0.5880-0.0508 0.4687 ( 614 PWs) bands (ev): -1.8617 -1.8617 -0.5719 -0.5719 -0.2104 -0.2104 -0.1158 -0.1158 0.0739 0.0739 2.3747 2.3747 7.4771 7.4771 7.9537 7.9537 11.0861 11.0861 17.5200 17.5200 22.9412 22.9412 25.0613 25.0613 25.9666 25.9666 k = 0.5833-0.0481 0.4763 ( 616 PWs) bands (ev): -1.8603 -1.8603 -0.5710 -0.5710 -0.2146 -0.2146 -0.1141 -0.1141 0.0732 0.0732 2.3829 2.3829 7.4973 7.4973 7.9716 7.9716 10.9772 10.9772 17.6224 17.6224 22.9655 22.9655 25.0381 25.0381 25.8414 25.8414 k = 0.5787-0.0454 0.4838 ( 612 PWs) bands (ev): -1.8587 -1.8587 -0.5700 -0.5700 -0.2188 -0.2188 -0.1125 -0.1125 0.0726 0.0726 2.3918 2.3918 7.5198 7.5198 7.9915 7.9915 10.8612 10.8612 17.7301 17.7301 22.9933 22.9933 25.0125 25.0125 25.7134 25.7134 k = 0.5741-0.0428 0.4914 ( 612 PWs) bands (ev): -1.8570 -1.8570 -0.5689 -0.5689 -0.2230 -0.2230 -0.1111 -0.1111 0.0719 0.0719 2.4013 2.4013 7.5446 7.5446 8.0133 8.0133 10.7393 10.7393 17.8414 17.8414 23.0242 23.0242 24.9841 24.9841 25.5841 25.5841 k = 0.5694-0.0401 0.4990 ( 612 PWs) bands (ev): -1.8553 -1.8553 -0.5678 -0.5678 -0.2272 -0.2272 -0.1099 -0.1099 0.0712 0.0712 2.4114 2.4114 7.5716 7.5716 8.0369 8.0369 10.6128 10.6128 17.9549 17.9549 23.0586 23.0586 24.9531 24.9531 25.4549 25.4549 k = 0.5648-0.0374 0.5065 ( 616 PWs) bands (ev): -1.8536 -1.8536 -0.5668 -0.5668 -0.2313 -0.2313 -0.1090 -0.1090 0.0706 0.0706 2.4219 2.4219 7.6009 7.6009 8.0622 8.0622 10.4824 10.4824 18.0691 18.0691 23.0967 23.0967 24.9192 24.9192 25.3267 25.3267 k = 0.5602-0.0347 0.5141 ( 616 PWs) bands (ev): -1.8518 -1.8518 -0.5657 -0.5657 -0.2351 -0.2351 -0.1083 -0.1083 0.0700 0.0700 2.4327 2.4327 7.6324 7.6324 8.0890 8.0890 10.3497 10.3497 18.1825 18.1825 23.1385 23.1385 24.8827 24.8827 25.2011 25.2011 k = 0.5556-0.0321 0.5217 ( 619 PWs) bands (ev): -1.8500 -1.8500 -0.5647 -0.5647 -0.2389 -0.2389 -0.1078 -0.1078 0.0695 0.0695 2.4438 2.4438 7.6661 7.6661 8.1173 8.1173 10.2154 10.2154 18.2937 18.2937 23.1841 23.1841 24.8431 24.8431 25.0791 25.0791 k = 0.5509-0.0294 0.5292 ( 617 PWs) bands (ev): -1.8482 -1.8482 -0.5636 -0.5636 -0.2423 -0.2423 -0.1074 -0.1074 0.0690 0.0690 2.4550 2.4550 7.7020 7.7020 8.1467 8.1467 10.0807 10.0807 18.4014 18.4014 23.2339 23.2339 24.7997 24.7997 24.9628 24.9628 k = 0.5463-0.0267 0.5368 ( 617 PWs) bands (ev): -1.8464 -1.8464 -0.5626 -0.5626 -0.2455 -0.2455 -0.1073 -0.1073 0.0686 0.0686 2.4662 2.4662 7.7399 7.7399 8.1769 8.1769 9.9466 9.9466 18.5042 18.5042 23.2878 23.2878 24.7494 24.7494 24.8556 24.8556 k = 0.5417-0.0241 0.5443 ( 617 PWs) bands (ev): -1.8447 -1.8447 -0.5617 -0.5617 -0.2484 -0.2484 -0.1073 -0.1073 0.0683 0.0683 2.4771 2.4771 7.7800 7.7800 8.2074 8.2074 9.8141 9.8141 18.6010 18.6010 23.3459 23.3459 24.6846 24.6846 24.7663 24.7663 k = 0.5370-0.0214 0.5519 ( 615 PWs) bands (ev): -1.8431 -1.8431 -0.5607 -0.5607 -0.2510 -0.2510 -0.1074 -0.1074 0.0680 0.0680 2.4877 2.4877 7.8221 7.8221 8.2377 8.2377 9.6846 9.6846 18.6906 18.6906 23.4080 23.4080 24.6013 24.6013 24.6999 24.6999 k = 0.5324-0.0187 0.5595 ( 611 PWs) bands (ev): -1.8415 -1.8415 -0.5599 -0.5599 -0.2532 -0.2532 -0.1077 -0.1077 0.0678 0.0678 2.4979 2.4979 7.8663 7.8663 8.2666 8.2666 9.5595 9.5595 18.7719 18.7719 23.4741 23.4741 24.5125 24.5125 24.6443 24.6443 k = 0.5278-0.0160 0.5670 ( 613 PWs) bands (ev): -1.8401 -1.8401 -0.5592 -0.5592 -0.2553 -0.2553 -0.1080 -0.1080 0.0676 0.0676 2.5073 2.5073 7.9124 7.9124 8.2927 8.2927 9.4408 9.4408 18.8438 18.8438 23.5434 23.5434 24.4277 24.4277 24.5910 24.5910 k = 0.5231-0.0134 0.5746 ( 613 PWs) bands (ev): -1.8389 -1.8389 -0.5586 -0.5586 -0.2569 -0.2569 -0.1084 -0.1084 0.0675 0.0675 2.5158 2.5158 7.9604 7.9604 8.3140 8.3140 9.3311 9.3311 18.9057 18.9057 23.6151 23.6151 24.3509 24.3509 24.5376 24.5376 k = 0.5185-0.0107 0.5821 ( 613 PWs) bands (ev): -1.8379 -1.8379 -0.5581 -0.5581 -0.2582 -0.2582 -0.1088 -0.1088 0.0674 0.0674 2.5233 2.5233 8.0102 8.0102 8.3276 8.3276 9.2339 9.2339 18.9569 18.9569 23.6870 23.6870 24.2853 24.2853 24.4834 24.4834 k = 0.5139-0.0080 0.5897 ( 615 PWs) bands (ev): -1.8370 -1.8370 -0.5577 -0.5577 -0.2593 -0.2593 -0.1092 -0.1092 0.0674 0.0674 2.5296 2.5296 8.0617 8.0617 8.3296 8.3296 9.1534 9.1534 18.9969 18.9969 23.7555 23.7555 24.2352 24.2352 24.4281 24.4281 k = 0.5093-0.0053 0.5973 ( 616 PWs) bands (ev): -1.8364 -1.8364 -0.5575 -0.5575 -0.2600 -0.2600 -0.1095 -0.1095 0.0673 0.0673 2.5343 2.5343 8.1146 8.1146 8.3162 8.3162 9.0942 9.0942 19.0255 19.0255 23.8131 23.8131 24.2078 24.2078 24.3717 24.3717 k = 0.5046-0.0027 0.6048 ( 616 PWs) bands (ev): -1.8360 -1.8360 -0.5573 -0.5573 -0.2604 -0.2604 -0.1097 -0.1097 0.0673 0.0673 2.5373 2.5373 8.1678 8.1678 8.2860 8.2860 9.0592 9.0592 19.0425 19.0425 23.8497 23.8497 24.2132 24.2132 24.3143 24.3143 k = 0.5000 0.0000 0.6124 ( 616 PWs) bands (ev): -1.8359 -1.8359 -0.5572 -0.5572 -0.2605 -0.2605 -0.1097 -0.1097 0.0673 0.0673 2.5384 2.5384 8.2057 8.2057 8.2550 8.2550 9.0482 9.0482 19.0481 19.0481 23.8607 23.8607 24.2517 24.2517 24.2599 24.2599 k = 0.5000 0.0000 0.6124 ( 616 PWs) bands (ev): -1.8359 -1.8359 -0.5572 -0.5572 -0.2605 -0.2605 -0.1097 -0.1097 0.0673 0.0673 2.5384 2.5384 8.2057 8.2057 8.2550 8.2550 9.0482 9.0482 19.0481 19.0481 23.8607 23.8607 24.2517 24.2517 24.2599 24.2599 k = 0.5000 0.0053 0.6048 ( 616 PWs) bands (ev): -1.8355 -1.8355 -0.5573 -0.5573 -0.2606 -0.2606 -0.1097 -0.1097 0.0672 0.0672 2.5357 2.5357 8.1974 8.1974 8.2504 8.2504 9.0668 9.0668 19.0486 19.0486 23.8328 23.8328 24.2514 24.2514 24.2871 24.2871 k = 0.5000 0.0107 0.5973 ( 616 PWs) bands (ev): -1.8342 -1.8342 -0.5575 -0.5575 -0.2610 -0.2610 -0.1098 -0.1098 0.0667 0.0667 2.5279 2.5279 8.1602 8.1602 8.2532 8.2532 9.1186 9.1186 19.0503 19.0503 23.7639 23.7639 24.2545 24.2545 24.3502 24.3502 k = 0.5000 0.0160 0.5897 ( 616 PWs) bands (ev): -1.8320 -1.8320 -0.5577 -0.5577 -0.2615 -0.2615 -0.1098 -0.1098 0.0660 0.0660 2.5149 2.5149 8.0954 8.0954 8.2703 8.2703 9.1950 9.1950 19.0532 19.0532 23.6742 23.6742 24.2601 24.2601 24.4293 24.4293 k = 0.5000 0.0214 0.5821 ( 616 PWs) bands (ev): -1.8289 -1.8289 -0.5581 -0.5581 -0.2623 -0.2623 -0.1098 -0.1098 0.0650 0.0650 2.4970 2.4970 8.0151 8.0151 8.2976 8.2976 9.2880 9.2880 19.0572 19.0572 23.5744 23.5744 24.2681 24.2681 24.5141 24.5141 k = 0.5000 0.0267 0.5746 ( 614 PWs) bands (ev): -1.8250 -1.8250 -0.5586 -0.5586 -0.2633 -0.2633 -0.1099 -0.1099 0.0638 0.0638 2.4741 2.4741 7.9263 7.9263 8.3336 8.3336 9.3921 9.3921 19.0625 19.0625 23.4690 23.4690 24.2784 24.2784 24.5998 24.5998 k = 0.5000 0.0321 0.5670 ( 614 PWs) bands (ev): -1.8202 -1.8202 -0.5592 -0.5592 -0.2646 -0.2646 -0.1100 -0.1100 0.0623 0.0623 2.4466 2.4466 7.8328 7.8328 8.3775 8.3775 9.5036 9.5036 19.0690 19.0690 23.3604 23.3604 24.2907 24.2907 24.6838 24.6838 k = 0.5000 0.0374 0.5595 ( 614 PWs) bands (ev): -1.8145 -1.8145 -0.5599 -0.5599 -0.2661 -0.2661 -0.1101 -0.1101 0.0606 0.0606 2.4147 2.4147 7.7370 7.7370 8.4289 8.4289 9.6204 9.6204 19.0770 19.0770 23.2495 23.2495 24.3050 24.3050 24.7643 24.7643 k = 0.5000 0.0428 0.5519 ( 614 PWs) bands (ev): -1.8080 -1.8080 -0.5608 -0.5608 -0.2678 -0.2678 -0.1103 -0.1103 0.0586 0.0586 2.3786 2.3786 7.6403 7.6403 8.4876 8.4876 9.7409 9.7409 19.0865 19.0865 23.1373 23.1373 24.3213 24.3213 24.8408 24.8408 k = 0.5000 0.0481 0.5443 ( 618 PWs) bands (ev): -1.8007 -1.8007 -0.5618 -0.5618 -0.2699 -0.2699 -0.1106 -0.1106 0.0565 0.0565 2.3386 2.3386 7.5437 7.5437 8.5532 8.5532 9.8643 9.8643 19.0975 19.0975 23.0240 23.0240 24.3393 24.3393 24.9120 24.9120 k = 0.5000 0.0535 0.5368 ( 618 PWs) bands (ev): -1.7924 -1.7924 -0.5629 -0.5629 -0.2721 -0.2721 -0.1109 -0.1109 0.0543 0.0543 2.2949 2.2949 7.4477 7.4477 8.6254 8.6254 9.9897 9.9897 19.1103 19.1103 22.9102 22.9102 24.3591 24.3591 24.9773 24.9773 k = 0.5000 0.0588 0.5292 ( 622 PWs) bands (ev): -1.7833 -1.7833 -0.5641 -0.5641 -0.2746 -0.2746 -0.1112 -0.1112 0.0519 0.0519 2.2479 2.2479 7.3528 7.3528 8.7039 8.7039 10.1167 10.1167 19.1249 19.1249 22.7959 22.7959 24.3803 24.3803 25.0358 25.0358 k = 0.5000 0.0642 0.5217 ( 622 PWs) bands (ev): -1.7733 -1.7733 -0.5654 -0.5654 -0.2774 -0.2774 -0.1116 -0.1116 0.0494 0.0494 2.1979 2.1979 7.2593 7.2593 8.7884 8.7884 10.2448 10.2448 19.1416 19.1416 22.6814 22.6814 24.4031 24.4031 25.0871 25.0871 k = 0.5000 0.0695 0.5141 ( 618 PWs) bands (ev): -1.7623 -1.7623 -0.5668 -0.5668 -0.2804 -0.2804 -0.1121 -0.1121 0.0470 0.0470 2.1451 2.1451 7.1675 7.1675 8.8786 8.8786 10.3736 10.3736 19.1605 19.1605 22.5670 22.5670 24.4272 24.4272 25.1305 25.1305 k = 0.5000 0.0748 0.5065 ( 618 PWs) bands (ev): -1.7505 -1.7505 -0.5684 -0.5684 -0.2837 -0.2837 -0.1126 -0.1126 0.0444 0.0444 2.0898 2.0898 7.0774 7.0774 8.9740 8.9740 10.5028 10.5028 19.1817 19.1817 22.4525 22.4525 24.4523 24.4523 25.1653 25.1653 k = 0.5000 0.0802 0.4990 ( 618 PWs) bands (ev): -1.7378 -1.7378 -0.5701 -0.5701 -0.2872 -0.2872 -0.1132 -0.1132 0.0418 0.0418 2.0322 2.0322 6.9893 6.9893 9.0745 9.0745 10.6321 10.6321 19.2055 19.2055 22.3381 22.3381 24.4783 24.4783 25.1910 25.1910 k = 0.5000 0.0855 0.4914 ( 616 PWs) bands (ev): -1.7241 -1.7241 -0.5718 -0.5718 -0.2911 -0.2911 -0.1138 -0.1138 0.0393 0.0393 1.9728 1.9728 6.9033 6.9033 9.1798 9.1798 10.7612 10.7612 19.2320 19.2320 22.2239 22.2239 24.5050 24.5050 25.2073 25.2073 k = 0.5000 0.0909 0.4838 ( 620 PWs) bands (ev): -1.7098 -1.7098 -0.5737 -0.5737 -0.2953 -0.2953 -0.1145 -0.1145 0.0367 0.0367 1.9116 1.9116 6.8194 6.8194 9.2893 9.2893 10.8898 10.8898 19.2613 19.2613 22.1098 22.1098 24.5321 24.5321 25.2139 25.2139 k = 0.5000 0.0962 0.4763 ( 620 PWs) bands (ev): -1.6944 -1.6944 -0.5758 -0.5758 -0.2998 -0.2998 -0.1153 -0.1153 0.0343 0.0343 1.8489 1.8489 6.7377 6.7377 9.4030 9.4030 11.0177 11.0177 19.2938 19.2938 21.9960 21.9960 24.5595 24.5595 25.2106 25.2106 k = 0.5000 0.1016 0.4687 ( 620 PWs) bands (ev): -1.6782 -1.6782 -0.5779 -0.5779 -0.3046 -0.3046 -0.1161 -0.1161 0.0319 0.0319 1.7849 1.7849 6.6583 6.6583 9.5206 9.5206 11.1446 11.1446 19.3295 19.3295 21.8825 21.8825 24.5869 24.5869 25.1975 25.1975 k = 0.5000 0.1069 0.4612 ( 614 PWs) bands (ev): -1.6610 -1.6610 -0.5800 -0.5800 -0.3097 -0.3097 -0.1168 -0.1168 0.0297 0.0297 1.7199 1.7199 6.5812 6.5812 9.6419 9.6419 11.2704 11.2704 19.3689 19.3689 21.7692 21.7692 24.6140 24.6140 25.1748 25.1748 k = 0.5000 0.1123 0.4536 ( 616 PWs) bands (ev): -1.6430 -1.6430 -0.5823 -0.5823 -0.3151 -0.3151 -0.1177 -0.1177 0.0276 0.0276 1.6541 1.6541 6.5063 6.5063 9.7663 9.7663 11.3945 11.3945 19.4119 19.4119 21.6561 21.6561 24.6405 24.6405 25.1424 25.1424 k = 0.5000 0.1176 0.4460 ( 616 PWs) bands (ev): -1.6241 -1.6241 -0.5848 -0.5848 -0.3209 -0.3209 -0.1186 -0.1186 0.0256 0.0256 1.5875 1.5875 6.4338 6.4338 9.8939 9.8939 11.5168 11.5168 19.4589 19.4589 21.5432 21.5432 24.6660 24.6660 25.1011 25.1011 k = 0.5000 0.1230 0.4385 ( 614 PWs) bands (ev): -1.6044 -1.6044 -0.5873 -0.5873 -0.3268 -0.3268 -0.1195 -0.1195 0.0238 0.0238 1.5204 1.5204 6.3637 6.3637 10.0243 10.0243 11.6372 11.6372 19.5099 19.5099 21.4305 21.4305 24.6902 24.6902 25.0516 25.0516 k = 0.5000 0.1283 0.4309 ( 614 PWs) bands (ev): -1.5837 -1.5837 -0.5899 -0.5899 -0.3332 -0.3332 -0.1204 -0.1204 0.0221 0.0221 1.4530 1.4530 6.2960 6.2960 10.1573 10.1573 11.7552 11.7552 19.5653 19.5653 21.3180 21.3180 24.7123 24.7123 24.9948 24.9948 k = 0.5000 0.1336 0.4234 ( 614 PWs) bands (ev): -1.5622 -1.5622 -0.5925 -0.5925 -0.3397 -0.3397 -0.1213 -0.1213 0.0205 0.0205 1.3853 1.3853 6.2307 6.2307 10.2926 10.2926 11.8708 11.8708 19.6251 19.6251 21.2055 21.2055 24.7310 24.7310 24.9326 24.9326 k = 0.5000 0.1390 0.4158 ( 614 PWs) bands (ev): -1.5398 -1.5398 -0.5953 -0.5953 -0.3466 -0.3466 -0.1222 -0.1222 0.0191 0.0191 1.3176 1.3176 6.1677 6.1677 10.4300 10.4300 11.9836 11.9836 19.6896 19.6896 21.0932 21.0932 24.7416 24.7416 24.8699 24.8699 k = 0.5000 0.1443 0.4082 ( 602 PWs) bands (ev): -1.5163 -1.5163 -0.5980 -0.5980 -0.3535 -0.3535 -0.1230 -0.1230 0.0179 0.0179 1.2499 1.2499 6.1072 6.1072 10.5695 10.5695 12.0936 12.0936 19.7590 19.7590 20.9810 20.9810 24.7261 24.7261 24.8256 24.8256 k = 0.5000 0.1497 0.4007 ( 608 PWs) bands (ev): -1.4922 -1.4922 -0.6009 -0.6009 -0.3608 -0.3608 -0.1239 -0.1239 0.0167 0.0167 1.1824 1.1824 6.0490 6.0490 10.7103 10.7103 12.2002 12.2002 19.8330 19.8330 20.8687 20.8687 24.6665 24.6665 24.8172 24.8172 k = 0.5000 0.1550 0.3931 ( 608 PWs) bands (ev): -1.4671 -1.4671 -0.6039 -0.6039 -0.3682 -0.3682 -0.1248 -0.1248 0.0157 0.0157 1.1152 1.1152 5.9932 5.9932 10.8525 10.8525 12.3034 12.3034 19.9121 19.9121 20.7565 20.7565 24.5864 24.5864 24.8228 24.8228 k = 0.5000 0.1604 0.3856 ( 608 PWs) bands (ev): -1.4412 -1.4412 -0.6068 -0.6068 -0.3757 -0.3757 -0.1258 -0.1258 0.0148 0.0148 1.0484 1.0484 5.9398 5.9398 10.9958 10.9958 12.4031 12.4031 19.9960 19.9960 20.6444 20.6444 24.4988 24.4988 24.8296 24.8296 k = 0.5000 0.1657 0.3780 ( 608 PWs) bands (ev): -1.4144 -1.4144 -0.6099 -0.6099 -0.3833 -0.3833 -0.1268 -0.1268 0.0140 0.0140 0.9821 0.9821 5.8887 5.8887 11.1398 11.1398 12.4991 12.4991 20.0846 20.0846 20.5327 20.5327 24.4074 24.4074 24.8343 24.8343 k = 0.5000 0.1711 0.3704 ( 606 PWs) bands (ev): -1.3867 -1.3867 -0.6129 -0.6129 -0.3909 -0.3909 -0.1279 -0.1279 0.0133 0.0133 0.9164 0.9164 5.8400 5.8400 11.2845 11.2845 12.5912 12.5912 20.1764 20.1764 20.4231 20.4231 24.3138 24.3138 24.8357 24.8357 k = 0.5000 0.1764 0.3629 ( 606 PWs) bands (ev): -1.3582 -1.3582 -0.6159 -0.6159 -0.3986 -0.3986 -0.1291 -0.1291 0.0126 0.0126 0.8515 0.8515 5.7936 5.7936 11.4293 11.4293 12.6793 12.6793 20.2514 20.2514 20.3354 20.3354 24.2192 24.2192 24.8332 24.8332 k = 0.5000 0.1818 0.3553 ( 608 PWs) bands (ev): -1.3288 -1.3288 -0.6190 -0.6190 -0.4063 -0.4063 -0.1305 -0.1305 0.0120 0.0120 0.7874 0.7874 5.7495 5.7495 11.5739 11.5739 12.7632 12.7632 20.1821 20.1821 20.3971 20.3971 24.1245 24.1245 24.8260 24.8260 k = 0.5000 0.1871 0.3478 ( 606 PWs) bands (ev): -1.2985 -1.2985 -0.6221 -0.6221 -0.4139 -0.4139 -0.1320 -0.1320 0.0116 0.0116 0.7243 0.7243 5.7078 5.7078 11.7182 11.7182 12.8430 12.8430 20.0734 20.0734 20.5035 20.5035 24.0305 24.0305 24.8140 24.8140 k = 0.5000 0.1925 0.3402 ( 606 PWs) bands (ev): -1.2674 -1.2674 -0.6251 -0.6251 -0.4214 -0.4214 -0.1338 -0.1338 0.0111 0.0111 0.6623 0.6623 5.6683 5.6683 11.8615 11.8615 12.9185 12.9185 19.9622 19.9622 20.6176 20.6176 23.9379 23.9379 24.7963 24.7963 k = 0.5000 0.1978 0.3326 ( 606 PWs) bands (ev): -1.2356 -1.2356 -0.6281 -0.6281 -0.4288 -0.4288 -0.1360 -0.1360 0.0107 0.0107 0.6016 0.6016 5.6310 5.6310 12.0035 12.0035 12.9897 12.9897 19.8507 19.8507 20.7373 20.7373 23.8474 23.8474 24.7728 24.7728 k = 0.5000 0.2031 0.3251 ( 608 PWs) bands (ev): -1.2029 -1.2029 -0.6311 -0.6311 -0.4362 -0.4362 -0.1387 -0.1387 0.0103 0.0103 0.5423 0.5423 5.5960 5.5960 12.1436 12.1436 13.0564 13.0564 19.7396 19.7396 20.8619 20.8619 23.7595 23.7595 24.7430 24.7430 k = 0.5000 0.2085 0.3175 ( 608 PWs) bands (ev): -1.1695 -1.1695 -0.6340 -0.6340 -0.4434 -0.4434 -0.1419 -0.1419 0.0099 0.0099 0.4847 0.4847 5.5633 5.5633 12.2816 12.2816 13.1189 13.1189 19.6295 19.6295 20.9910 20.9910 23.6749 23.6749 24.7065 24.7065 k = 0.5000 0.2138 0.3100 ( 614 PWs) bands (ev): -1.1354 -1.1354 -0.6369 -0.6369 -0.4506 -0.4506 -0.1459 -0.1459 0.0094 0.0094 0.4290 0.4290 5.5327 5.5327 12.4167 12.4167 13.1770 13.1770 19.5208 19.5208 21.1242 21.1242 23.5941 23.5941 24.6626 24.6626 k = 0.5000 0.2192 0.3024 ( 612 PWs) bands (ev): -1.1005 -1.1005 -0.6396 -0.6396 -0.4575 -0.4575 -0.1507 -0.1507 0.0091 0.0091 0.3756 0.3756 5.5044 5.5044 12.5485 12.5485 13.2308 13.2308 19.4139 19.4139 21.2614 21.2614 23.5174 23.5174 24.6117 24.6117 k = 0.5000 0.2245 0.2948 ( 610 PWs) bands (ev): -1.0649 -1.0649 -0.6422 -0.6422 -0.4643 -0.4643 -0.1568 -0.1568 0.0087 0.0087 0.3248 0.3248 5.4782 5.4782 12.6760 12.6760 13.2803 13.2803 19.3096 19.3096 21.4020 21.4020 23.4452 23.4452 24.5534 24.5534 k = 0.5000 0.2299 0.2873 ( 610 PWs) bands (ev): -1.0288 -1.0288 -0.6446 -0.6446 -0.4712 -0.4712 -0.1644 -0.1644 0.0082 0.0082 0.2770 0.2770 5.4542 5.4542 12.7987 12.7987 13.3256 13.3256 19.2084 19.2084 21.5455 21.5455 23.3780 23.3780 24.4873 24.4873 k = 0.5000 0.2352 0.2797 ( 610 PWs) bands (ev): -0.9921 -0.9921 -0.6470 -0.6470 -0.4781 -0.4781 -0.1738 -0.1738 0.0076 0.0076 0.2330 0.2330 5.4323 5.4323 12.9156 12.9156 13.3667 13.3667 19.1111 19.1111 21.6915 21.6915 23.3159 23.3159 24.4134 24.4134 k = 0.5000 0.2406 0.2722 ( 610 PWs) bands (ev): -0.9549 -0.9549 -0.6492 -0.6492 -0.4852 -0.4852 -0.1853 -0.1853 0.0070 0.0070 0.1931 0.1931 5.4126 5.4126 13.0260 13.0260 13.4036 13.4036 19.0186 19.0186 21.8393 21.8393 23.2594 23.2594 24.3319 24.3319 k = 0.5000 0.2459 0.2646 ( 610 PWs) bands (ev): -0.9174 -0.9174 -0.6512 -0.6512 -0.4927 -0.4927 -0.1992 -0.1992 0.0061 0.0061 0.1581 0.1581 5.3950 5.3950 13.1288 13.1288 13.4364 13.4364 18.9318 18.9318 21.9884 21.9884 23.2087 23.2087 24.2428 24.2428 k = 0.5000 0.2513 0.2570 ( 610 PWs) bands (ev): -0.8798 -0.8798 -0.6530 -0.6530 -0.5009 -0.5009 -0.2154 -0.2154 0.0051 0.0051 0.1284 0.1284 5.3794 5.3794 13.2229 13.2229 13.4652 13.4652 18.8517 18.8517 22.1379 22.1379 23.1640 23.1640 24.1465 24.1465 k = 0.5000 0.2566 0.2495 ( 612 PWs) bands (ev): -0.8422 -0.8422 -0.6546 -0.6546 -0.5102 -0.5102 -0.2335 -0.2335 0.0038 0.0038 0.1041 0.1041 5.3660 5.3660 13.3075 13.3075 13.4901 13.4901 18.7794 18.7794 22.2865 22.2865 23.1259 23.1259 24.0435 24.0435 k = 0.5000 0.2619 0.2419 ( 612 PWs) bands (ev): -0.8048 -0.8048 -0.6560 -0.6560 -0.5209 -0.5209 -0.2525 -0.2525 0.0024 0.0024 0.0851 0.0851 5.3547 5.3547 13.3813 13.3813 13.5110 13.5110 18.7158 18.7158 22.4328 22.4328 23.0948 23.0948 23.9349 23.9349 k = 0.5000 0.2673 0.2344 ( 610 PWs) bands (ev): -0.7682 -0.7682 -0.6571 -0.6571 -0.5336 -0.5336 -0.2713 -0.2713 0.0008 0.0008 0.0711 0.0711 5.3454 5.3454 13.4435 13.4435 13.5281 13.5281 18.6621 18.6621 22.5741 22.5741 23.0721 23.0721 23.8219 23.8219 k = 0.5000 0.2726 0.2268 ( 610 PWs) bands (ev): -0.7329 -0.7329 -0.6580 -0.6580 -0.5489 -0.5489 -0.2880 -0.2880 -0.0008 -0.0008 0.0613 0.0613 5.3382 5.3382 13.4929 13.4929 13.5414 13.5414 18.6192 18.6192 22.7048 22.7048 23.0606 23.0606 23.7069 23.7069 k = 0.5000 0.2780 0.2192 ( 610 PWs) bands (ev): -0.7001 -0.7001 -0.6587 -0.6587 -0.5665 -0.5665 -0.3013 -0.3013 -0.0022 -0.0022 0.0549 0.0549 5.3331 5.3331 13.5287 13.5287 13.5509 13.5509 18.5878 18.5878 22.8130 22.8130 23.0674 23.0674 23.5951 23.5951 k = 0.5000 0.2833 0.2117 ( 610 PWs) bands (ev): -0.6727 -0.6727 -0.6590 -0.6590 -0.5845 -0.5845 -0.3098 -0.3098 -0.0031 -0.0031 0.0514 0.0514 5.3300 5.3300 13.5500 13.5500 13.5572 13.5572 18.5688 18.5688 22.8787 22.8787 23.0987 23.0987 23.4999 23.4999 k = 0.5000 0.2887 0.2041 ( 610 PWs) bands (ev): -0.6607 -0.6607 -0.6584 -0.6584 -0.5941 -0.5941 -0.3127 -0.3127 -0.0034 -0.0034 0.0502 0.0502 5.3290 5.3290 13.5559 13.5559 13.5605 13.5605 18.5624 18.5624 22.8979 22.8979 23.1231 23.1231 23.4570 23.4570 k = 0.5000 0.2887 0.2041 ( 610 PWs) bands (ev): -0.6607 -0.6607 -0.6584 -0.6584 -0.5941 -0.5941 -0.3127 -0.3127 -0.0034 -0.0034 0.0502 0.0502 5.3290 5.3290 13.5559 13.5559 13.5605 13.5605 18.5624 18.5624 22.8979 22.8979 23.1231 23.1231 23.4570 23.4570 k = 0.4973 0.2871 0.2130 ( 610 PWs) bands (ev): -0.6731 -0.6731 -0.6590 -0.6590 -0.5842 -0.5842 -0.3097 -0.3097 -0.0031 -0.0031 0.0514 0.0514 5.3300 5.3300 13.5498 13.5498 13.5571 13.5571 18.5690 18.5690 22.8780 22.8780 23.0981 23.0981 23.5012 23.5012 k = 0.4946 0.2855 0.2219 ( 610 PWs) bands (ev): -0.7011 -0.7011 -0.6587 -0.6587 -0.5659 -0.5659 -0.3009 -0.3009 -0.0021 -0.0021 0.0551 0.0551 5.3332 5.3332 13.5277 13.5277 13.5507 13.5507 18.5887 18.5887 22.8100 22.8100 23.0667 23.0667 23.5986 23.5986 k = 0.4918 0.2840 0.2307 ( 610 PWs) bands (ev): -0.7346 -0.7346 -0.6580 -0.6580 -0.5481 -0.5481 -0.2873 -0.2873 -0.0007 -0.0007 0.0617 0.0617 5.3385 5.3385 13.4906 13.4906 13.5409 13.5409 18.6210 18.6210 22.6988 22.6988 23.0608 23.0608 23.7126 23.7126 k = 0.4891 0.2824 0.2396 ( 610 PWs) bands (ev): -0.7706 -0.7706 -0.6571 -0.6571 -0.5327 -0.5327 -0.2701 -0.2701 0.0009 0.0009 0.0719 0.0719 5.3460 5.3460 13.4394 13.4394 13.5274 13.5274 18.6653 18.6653 22.5651 22.5651 23.0732 23.0732 23.8295 23.8295 k = 0.4864 0.2808 0.2485 ( 611 PWs) bands (ev): -0.8079 -0.8079 -0.6559 -0.6559 -0.5199 -0.5199 -0.2509 -0.2509 0.0025 0.0025 0.0865 0.0865 5.3555 5.3555 13.3748 13.3748 13.5103 13.5103 18.7206 18.7206 22.4212 22.4212 23.0967 23.0967 23.9442 23.9442 k = 0.4837 0.2793 0.2574 ( 610 PWs) bands (ev): -0.8459 -0.8459 -0.6544 -0.6544 -0.5092 -0.5092 -0.2316 -0.2316 0.0040 0.0040 0.1063 0.1063 5.3673 5.3673 13.2979 13.2979 13.4896 13.4896 18.7858 18.7858 22.2727 22.2727 23.1286 23.1286 24.0542 24.0542 k = 0.4810 0.2777 0.2662 ( 610 PWs) bands (ev): -0.8842 -0.8842 -0.6527 -0.6527 -0.4999 -0.4999 -0.2134 -0.2134 0.0053 0.0053 0.1315 0.1315 5.3812 5.3812 13.2096 13.2096 13.4653 13.4653 18.8596 18.8596 22.1225 22.1225 23.1675 23.1675 24.1583 24.1583 k = 0.4783 0.2761 0.2751 ( 610 PWs) bands (ev): -0.9225 -0.9225 -0.6508 -0.6508 -0.4917 -0.4917 -0.1972 -0.1972 0.0063 0.0063 0.1624 0.1624 5.3972 5.3972 13.1108 13.1108 13.4377 13.4377 18.9406 18.9406 21.9724 21.9724 23.2128 23.2128 24.2554 24.2554 k = 0.4755 0.2746 0.2840 ( 610 PWs) bands (ev): -0.9606 -0.9606 -0.6488 -0.6488 -0.4841 -0.4841 -0.1835 -0.1835 0.0072 0.0072 0.1988 0.1988 5.4154 5.4154 13.0026 13.0026 13.4069 13.4069 19.0273 19.0273 21.8240 21.8240 23.2639 23.2639 24.3452 24.3452 k = 0.4728 0.2730 0.2929 ( 610 PWs) bands (ev): -0.9983 -0.9983 -0.6465 -0.6465 -0.4769 -0.4769 -0.1722 -0.1722 0.0079 0.0079 0.2400 0.2400 5.4358 5.4358 12.8860 12.8860 13.3731 13.3731 19.1178 19.1178 21.6789 21.6789 23.3207 23.3207 24.4271 24.4271 k = 0.4701 0.2714 0.3017 ( 610 PWs) bands (ev): -1.0356 -1.0356 -0.6440 -0.6440 -0.4698 -0.4698 -0.1631 -0.1631 0.0085 0.0085 0.2854 0.2854 5.4584 5.4584 12.7617 12.7617 13.3364 13.3364 19.2101 19.2101 21.5388 21.5388 23.3827 23.3827 24.5011 24.5011 k = 0.4674 0.2698 0.3106 ( 610 PWs) bands (ev): -1.0723 -1.0723 -0.6414 -0.6414 -0.4628 -0.4628 -0.1559 -0.1559 0.0091 0.0091 0.3345 0.3345 5.4832 5.4832 12.6307 12.6307 13.2969 13.2969 19.3018 19.3018 21.4058 21.4058 23.4497 23.4497 24.5673 24.5673 k = 0.4647 0.2683 0.3195 ( 610 PWs) bands (ev): -1.1084 -1.1084 -0.6386 -0.6386 -0.4557 -0.4557 -0.1501 -0.1501 0.0097 0.0097 0.3867 0.3867 5.5103 5.5103 12.4938 12.4938 13.2550 13.2550 19.3896 19.3896 21.2827 21.2827 23.5213 23.5213 24.6257 24.6257 k = 0.4620 0.2667 0.3284 ( 610 PWs) bands (ev): -1.1438 -1.1438 -0.6357 -0.6357 -0.4485 -0.4485 -0.1456 -0.1456 0.0103 0.0103 0.4415 0.4415 5.5396 5.5396 12.3516 12.3516 13.2107 13.2107 19.4695 19.4695 21.1731 21.1731 23.5973 23.5973 24.6764 24.6764 k = 0.4592 0.2651 0.3372 ( 613 PWs) bands (ev): -1.1785 -1.1785 -0.6328 -0.6328 -0.4412 -0.4412 -0.1421 -0.1421 0.0108 0.0108 0.4985 0.4985 5.5712 5.5712 12.2047 12.2047 13.1642 13.1642 19.5364 19.5364 21.0817 21.0817 23.6774 23.6774 24.7199 24.7199 k = 0.4565 0.2636 0.3461 ( 613 PWs) bands (ev): -1.2125 -1.2125 -0.6298 -0.6298 -0.4336 -0.4336 -0.1393 -0.1393 0.0115 0.0115 0.5574 0.5574 5.6051 5.6051 12.0538 12.0538 13.1158 13.1158 19.5842 19.5842 21.0143 21.0143 23.7613 23.7613 24.7565 24.7565 k = 0.4538 0.2620 0.3550 ( 610 PWs) bands (ev): -1.2457 -1.2457 -0.6266 -0.6266 -0.4257 -0.4257 -0.1372 -0.1372 0.0122 0.0122 0.6180 0.6180 5.6413 5.6413 11.8994 11.8994 13.0657 13.0657 19.6069 19.6069 20.9764 20.9764 23.8486 23.8486 24.7870 24.7870 k = 0.4511 0.2604 0.3639 ( 609 PWs) bands (ev): -1.2781 -1.2781 -0.6234 -0.6234 -0.4176 -0.4176 -0.1355 -0.1355 0.0130 0.0130 0.6800 0.6800 5.6797 5.6797 11.7420 11.7420 13.0140 13.0140 19.6007 19.6007 20.9715 20.9715 23.9391 23.9391 24.8111 24.8111 k = 0.4484 0.2589 0.3727 ( 609 PWs) bands (ev): -1.3097 -1.3097 -0.6203 -0.6203 -0.4094 -0.4094 -0.1343 -0.1343 0.0139 0.0139 0.7432 0.7432 5.7206 5.7206 11.5821 11.5821 12.9609 12.9609 19.5659 19.5659 20.9990 20.9990 24.0324 24.0324 24.8298 24.8298 k = 0.4457 0.2573 0.3816 ( 609 PWs) bands (ev): -1.3405 -1.3405 -0.6172 -0.6172 -0.4010 -0.4010 -0.1334 -0.1334 0.0149 0.0149 0.8075 0.8075 5.7638 5.7638 11.4200 11.4200 12.9066 12.9066 19.5063 19.5063 21.0545 21.0545 24.1282 24.1282 24.8435 24.8435 k = 0.4429 0.2557 0.3905 ( 609 PWs) bands (ev): -1.3704 -1.3704 -0.6141 -0.6141 -0.3924 -0.3924 -0.1327 -0.1327 0.0159 0.0159 0.8727 0.8727 5.8093 5.8093 11.2561 11.2561 12.8513 12.8513 19.4279 19.4279 21.1318 21.1318 24.2260 24.2260 24.8528 24.8528 k = 0.4402 0.2542 0.3994 ( 609 PWs) bands (ev): -1.3996 -1.3996 -0.6110 -0.6110 -0.3836 -0.3836 -0.1323 -0.1323 0.0171 0.0171 0.9387 0.9387 5.8573 5.8573 11.0909 11.0909 12.7952 12.7952 19.3362 19.3362 21.2249 21.2249 24.3256 24.3256 24.8585 24.8585 k = 0.4375 0.2526 0.4082 ( 611 PWs) bands (ev): -1.4279 -1.4279 -0.6080 -0.6080 -0.3747 -0.3747 -0.1322 -0.1322 0.0184 0.0184 1.0055 1.0055 5.9076 5.9076 10.9245 10.9245 12.7384 12.7384 19.2358 19.2358 21.3288 21.3288 24.4263 24.4263 24.8611 24.8611 k = 0.4348 0.2510 0.4171 ( 611 PWs) bands (ev): -1.4554 -1.4554 -0.6051 -0.6051 -0.3657 -0.3657 -0.1321 -0.1321 0.0199 0.0199 1.0727 1.0727 5.9604 5.9604 10.7574 10.7574 12.6811 12.6811 19.1299 19.1299 21.4399 21.4399 24.5276 24.5276 24.8617 24.8617 k = 0.4321 0.2495 0.4260 ( 611 PWs) bands (ev): -1.4821 -1.4821 -0.6022 -0.6022 -0.3565 -0.3565 -0.1322 -0.1322 0.0214 0.0214 1.1405 1.1405 6.0155 6.0155 10.5900 10.5900 12.6234 12.6234 19.0208 19.0208 21.5551 21.5551 24.6279 24.6279 24.8620 24.8620 k = 0.4293 0.2479 0.4349 ( 615 PWs) bands (ev): -1.5081 -1.5081 -0.5995 -0.5995 -0.3473 -0.3473 -0.1324 -0.1324 0.0231 0.0231 1.2085 1.2085 6.0731 6.0731 10.4224 10.4224 12.5656 12.5656 18.9103 18.9103 21.6722 21.6722 24.7227 24.7227 24.8668 24.8668 k = 0.4266 0.2463 0.4437 ( 615 PWs) bands (ev): -1.5331 -1.5331 -0.5970 -0.5970 -0.3379 -0.3379 -0.1326 -0.1326 0.0250 0.0250 1.2767 1.2767 6.1331 6.1331 10.2551 10.2551 12.5077 12.5077 18.7994 18.7994 21.7899 21.7899 24.7917 24.7917 24.8969 24.8969 k = 0.4239 0.2447 0.4526 ( 613 PWs) bands (ev): -1.5574 -1.5574 -0.5944 -0.5944 -0.3285 -0.3285 -0.1329 -0.1329 0.0270 0.0270 1.3450 1.3450 6.1955 6.1955 10.0884 10.0884 12.4500 12.4500 18.6890 18.6890 21.9065 21.9065 24.8125 24.8125 24.9749 24.9749 k = 0.4212 0.2432 0.4615 ( 615 PWs) bands (ev): -1.5807 -1.5807 -0.5922 -0.5922 -0.3192 -0.3192 -0.1333 -0.1333 0.0291 0.0291 1.4132 1.4132 6.2603 6.2603 9.9225 9.9225 12.3923 12.3923 18.5796 18.5796 22.0205 22.0205 24.8141 24.8141 25.0721 25.0721 k = 0.4185 0.2416 0.4704 ( 615 PWs) bands (ev): -1.6034 -1.6034 -0.5900 -0.5900 -0.3098 -0.3098 -0.1337 -0.1337 0.0313 0.0313 1.4811 1.4811 6.3276 6.3276 9.7578 9.7578 12.3351 12.3351 18.4718 18.4718 22.1311 22.1311 24.8121 24.8121 25.1733 25.1733 k = 0.4158 0.2400 0.4792 ( 615 PWs) bands (ev): -1.6252 -1.6252 -0.5880 -0.5880 -0.3005 -0.3005 -0.1340 -0.1340 0.0337 0.0337 1.5486 1.5486 6.3972 6.3972 9.5946 9.5946 12.2783 12.2783 18.3657 18.3657 22.2369 22.2369 24.8101 24.8101 25.2754 25.2754 k = 0.4130 0.2385 0.4881 ( 615 PWs) bands (ev): -1.6463 -1.6463 -0.5861 -0.5861 -0.2913 -0.2913 -0.1344 -0.1344 0.0362 0.0362 1.6156 1.6156 6.4691 6.4691 9.4331 9.4331 12.2221 12.2221 18.2617 18.2617 22.3371 22.3371 24.8098 24.8098 25.3770 25.3770 k = 0.4103 0.2369 0.4970 ( 614 PWs) bands (ev): -1.6667 -1.6667 -0.5844 -0.5844 -0.2821 -0.2821 -0.1347 -0.1347 0.0388 0.0388 1.6817 1.6817 6.5434 6.5434 9.2739 9.2739 12.1666 12.1666 18.1600 18.1600 22.4307 22.4307 24.8121 24.8121 25.4776 25.4776 k = 0.4076 0.2353 0.5059 ( 614 PWs) bands (ev): -1.6863 -1.6863 -0.5828 -0.5828 -0.2731 -0.2731 -0.1350 -0.1350 0.0415 0.0415 1.7469 1.7469 6.6198 6.6198 9.1173 9.1173 12.1119 12.1119 18.0606 18.0606 22.5165 22.5165 24.8179 24.8179 25.5769 25.5769 k = 0.4049 0.2338 0.5147 ( 614 PWs) bands (ev): -1.7052 -1.7052 -0.5815 -0.5815 -0.2642 -0.2642 -0.1352 -0.1352 0.0443 0.0443 1.8108 1.8108 6.6985 6.6985 8.9636 8.9636 12.0581 12.0581 17.9637 17.9637 22.5938 22.5938 24.8277 24.8277 25.6745 25.6745 k = 0.4022 0.2322 0.5236 ( 612 PWs) bands (ev): -1.7232 -1.7232 -0.5803 -0.5803 -0.2555 -0.2555 -0.1354 -0.1354 0.0472 0.0472 1.8733 1.8733 6.7791 6.7791 8.8135 8.8135 12.0052 12.0052 17.8693 17.8693 22.6620 22.6620 24.8420 24.8420 25.7701 25.7701 k = 0.3995 0.2306 0.5325 ( 612 PWs) bands (ev): -1.7406 -1.7406 -0.5792 -0.5792 -0.2471 -0.2471 -0.1355 -0.1355 0.0502 0.0502 1.9340 1.9340 6.8616 6.8616 8.6673 8.6673 11.9535 11.9535 17.7775 17.7775 22.7207 22.7207 24.8607 24.8607 25.8636 25.8636 k = 0.3967 0.2291 0.5414 ( 612 PWs) bands (ev): -1.7573 -1.7573 -0.5783 -0.5783 -0.2389 -0.2389 -0.1355 -0.1355 0.0532 0.0532 1.9926 1.9926 6.9456 6.9456 8.5258 8.5258 11.9030 11.9030 17.6884 17.6884 22.7695 22.7695 24.8840 24.8840 25.9547 25.9547 k = 0.3940 0.2275 0.5502 ( 612 PWs) bands (ev): -1.7733 -1.7733 -0.5776 -0.5776 -0.2310 -0.2310 -0.1354 -0.1354 0.0562 0.0562 2.0488 2.0488 7.0308 7.0308 8.3898 8.3898 11.8538 11.8538 17.6019 17.6019 22.8086 22.8086 24.9114 24.9114 26.0433 26.0433 k = 0.3913 0.2259 0.5591 ( 616 PWs) bands (ev): -1.7887 -1.7887 -0.5770 -0.5770 -0.2235 -0.2235 -0.1351 -0.1351 0.0592 0.0592 2.1023 2.1023 7.1164 7.1164 8.2603 8.2603 11.8057 11.8057 17.5181 17.5181 22.8380 22.8380 24.9423 24.9423 26.1290 26.1290 k = 0.3886 0.2244 0.5680 ( 616 PWs) bands (ev): -1.8034 -1.8034 -0.5765 -0.5765 -0.2164 -0.2164 -0.1346 -0.1346 0.0622 0.0622 2.1526 2.1526 7.2011 7.2011 8.1392 8.1392 11.7591 11.7591 17.4371 17.4371 22.8586 22.8586 24.9760 24.9760 26.2121 26.2121 k = 0.3859 0.2228 0.5769 ( 618 PWs) bands (ev): -1.8174 -1.8174 -0.5762 -0.5762 -0.2098 -0.2098 -0.1339 -0.1339 0.0652 0.0652 2.1994 2.1994 7.2826 7.2826 8.0292 8.0292 11.7140 11.7140 17.3588 17.3588 22.8707 22.8707 25.0115 25.0115 26.2923 26.2923 k = 0.3832 0.2212 0.5857 ( 620 PWs) bands (ev): -1.8309 -1.8309 -0.5760 -0.5760 -0.2038 -0.2038 -0.1328 -0.1328 0.0682 0.0682 2.2422 2.2422 7.3555 7.3555 7.9362 7.9362 11.6705 11.6705 17.2832 17.2832 22.8752 22.8752 25.0476 25.0476 26.3695 26.3695 k = 0.3804 0.2196 0.5946 ( 618 PWs) bands (ev): -1.8437 -1.8437 -0.5758 -0.5758 -0.1982 -0.1982 -0.1314 -0.1314 0.0712 0.0712 2.2806 2.2806 7.4089 7.4089 7.8715 7.8715 11.6286 11.6286 17.2104 17.2104 22.8731 22.8731 25.0834 25.0834 26.4437 26.4437 k = 0.3777 0.2181 0.6035 ( 618 PWs) bands (ev): -1.8560 -1.8560 -0.5758 -0.5758 -0.1933 -0.1933 -0.1295 -0.1295 0.0741 0.0741 2.3140 2.3140 7.4258 7.4258 7.8526 7.8526 11.5883 11.5883 17.1404 17.1404 22.8651 22.8651 25.1175 25.1175 26.5148 26.5148 k = 0.3750 0.2165 0.6124 ( 618 PWs) bands (ev): -1.8677 -1.8677 -0.5758 -0.5758 -0.1891 -0.1891 -0.1273 -0.1273 0.0770 0.0770 2.3421 2.3421 7.4008 7.4008 7.8853 7.8853 11.5497 11.5497 17.0732 17.0732 22.8522 22.8522 25.1490 25.1490 26.5828 26.5828 k = 0.6250-0.0722 0.4082 ( 618 PWs) bands (ev): -1.8677 -1.8677 -0.5758 -0.5758 -0.1891 -0.1891 -0.1273 -0.1273 0.0770 0.0770 2.3421 2.3421 7.4008 7.4008 7.8853 7.8853 11.5497 11.5497 17.0732 17.0732 22.8522 22.8522 25.1490 25.1490 26.5828 26.5828 k = 0.6204-0.0802 0.4082 ( 618 PWs) bands (ev): -1.8871 -1.8871 -0.5760 -0.5760 -0.1826 -0.1826 -0.1231 -0.1231 0.0818 0.0818 2.3838 2.3838 7.3314 7.3314 7.9800 7.9800 11.4862 11.4862 16.9609 16.9609 22.8229 22.8229 25.1996 25.1996 26.6959 26.6959 k = 0.6157-0.0882 0.4082 ( 622 PWs) bands (ev): -1.9063 -1.9063 -0.5764 -0.5764 -0.1762 -0.1762 -0.1189 -0.1189 0.0865 0.0865 2.4226 2.4226 7.2642 7.2642 8.0798 8.0798 11.4241 11.4241 16.8480 16.8480 22.7866 22.7866 25.2491 25.2491 26.8085 26.8085 k = 0.6111-0.0962 0.4082 ( 622 PWs) bands (ev): -1.9252 -1.9252 -0.5770 -0.5770 -0.1699 -0.1699 -0.1147 -0.1147 0.0913 0.0913 2.4587 2.4587 7.1990 7.1990 8.1843 8.1843 11.3637 11.3637 16.7347 16.7347 22.7440 22.7440 25.2977 25.2977 26.9203 26.9203 k = 0.6065-0.1042 0.4082 ( 622 PWs) bands (ev): -1.9438 -1.9438 -0.5777 -0.5777 -0.1637 -0.1637 -0.1104 -0.1104 0.0961 0.0961 2.4922 2.4922 7.1361 7.1361 8.2933 8.2933 11.3050 11.3050 16.6207 16.6207 22.6954 22.6954 25.3450 25.3450 27.0309 27.0309 k = 0.6019-0.1123 0.4082 ( 618 PWs) bands (ev): -1.9620 -1.9620 -0.5784 -0.5784 -0.1575 -0.1575 -0.1060 -0.1060 0.1010 0.1010 2.5231 2.5231 7.0754 7.0754 8.4064 8.4064 11.2482 11.2482 16.5061 16.5061 22.6419 22.6419 25.3914 25.3914 27.1402 27.1402 k = 0.5972-0.1203 0.4082 ( 618 PWs) bands (ev): -1.9797 -1.9797 -0.5794 -0.5794 -0.1516 -0.1516 -0.1016 -0.1016 0.1057 0.1057 2.5516 2.5516 7.0170 7.0170 8.5230 8.5230 11.1932 11.1932 16.3908 16.3908 22.5836 22.5836 25.4359 25.4359 27.2475 27.2475 k = 0.5926-0.1283 0.4082 ( 620 PWs) bands (ev): -1.9970 -1.9970 -0.5805 -0.5805 -0.1459 -0.1459 -0.0974 -0.0974 0.1105 0.1105 2.5778 2.5778 6.9610 6.9610 8.6428 8.6428 11.1402 11.1402 16.2749 16.2749 22.5215 22.5215 25.4793 25.4793 27.3528 27.3528 k = 0.5880-0.1363 0.4082 ( 620 PWs) bands (ev): -2.0137 -2.0137 -0.5817 -0.5817 -0.1403 -0.1403 -0.0931 -0.0931 0.1152 0.1152 2.6019 2.6019 6.9074 6.9074 8.7654 8.7654 11.0892 11.0892 16.1584 16.1584 22.4566 22.4566 25.5211 25.5211 27.4556 27.4556 k = 0.5833-0.1443 0.4082 ( 618 PWs) bands (ev): -2.0297 -2.0297 -0.5828 -0.5828 -0.1349 -0.1349 -0.0889 -0.0889 0.1199 0.1199 2.6239 2.6239 6.8562 6.8562 8.8903 8.8903 11.0404 11.0404 16.0415 16.0415 22.3900 22.3900 25.5613 25.5613 27.5557 27.5557 k = 0.5787-0.1524 0.4082 ( 618 PWs) bands (ev): -2.0452 -2.0452 -0.5841 -0.5841 -0.1297 -0.1297 -0.0849 -0.0849 0.1244 0.1244 2.6440 2.6440 6.8075 6.8075 9.0168 9.0168 10.9938 10.9938 15.9244 15.9244 22.3218 22.3218 25.5998 25.5998 27.6526 27.6526 k = 0.5741-0.1604 0.4082 ( 618 PWs) bands (ev): -2.0600 -2.0600 -0.5855 -0.5855 -0.1248 -0.1248 -0.0809 -0.0809 0.1289 0.1289 2.6623 2.6623 6.7613 6.7613 9.1445 9.1445 10.9495 10.9495 15.8072 15.8072 22.2532 22.2532 25.6366 25.6366 27.7460 27.7460 k = 0.5694-0.1684 0.4082 ( 618 PWs) bands (ev): -2.0741 -2.0741 -0.5868 -0.5868 -0.1202 -0.1202 -0.0770 -0.0770 0.1332 0.1332 2.6788 2.6788 6.7177 6.7177 9.2727 9.2727 10.9076 10.9076 15.6903 15.6903 22.1851 22.1851 25.6715 25.6715 27.8354 27.8354 k = 0.5648-0.1764 0.4082 ( 616 PWs) bands (ev): -2.0874 -2.0874 -0.5881 -0.5881 -0.1158 -0.1158 -0.0732 -0.0732 0.1374 0.1374 2.6938 2.6938 6.6768 6.6768 9.4008 9.4008 10.8681 10.8681 15.5740 15.5740 22.1183 22.1183 25.7045 25.7045 27.9206 27.9206 k = 0.5602-0.1844 0.4082 ( 616 PWs) bands (ev): -2.0999 -2.0999 -0.5895 -0.5895 -0.1117 -0.1117 -0.0696 -0.0696 0.1414 0.1414 2.7074 2.7074 6.6384 6.6384 9.5278 9.5278 10.8311 10.8311 15.4588 15.4588 22.0533 22.0533 25.7355 25.7355 28.0010 28.0010 k = 0.5556-0.1925 0.4082 ( 616 PWs) bands (ev): -2.1117 -2.1117 -0.5908 -0.5908 -0.1079 -0.1079 -0.0661 -0.0661 0.1452 0.1452 2.7195 2.7195 6.6028 6.6028 9.6532 9.6532 10.7966 10.7966 15.3454 15.3454 21.9907 21.9907 25.7645 25.7645 28.0762 28.0762 k = 0.5509-0.2005 0.4082 ( 616 PWs) bands (ev): -2.1226 -2.1226 -0.5921 -0.5921 -0.1044 -0.1044 -0.0628 -0.0628 0.1488 0.1488 2.7303 2.7303 6.5698 6.5698 9.7758 9.7758 10.7647 10.7647 15.2343 15.2343 21.9313 21.9313 25.7914 25.7914 28.1457 28.1457 k = 0.5463-0.2085 0.4082 ( 616 PWs) bands (ev): -2.1326 -2.1326 -0.5933 -0.5933 -0.1012 -0.1012 -0.0598 -0.0598 0.1521 0.1521 2.7400 2.7400 6.5396 6.5396 9.8948 9.8948 10.7355 10.7355 15.1264 15.1264 21.8754 21.8754 25.8161 25.8161 28.2091 28.2091 k = 0.5417-0.2165 0.4082 ( 616 PWs) bands (ev): -2.1418 -2.1418 -0.5945 -0.5945 -0.0983 -0.0983 -0.0569 -0.0569 0.1553 0.1553 2.7485 2.7485 6.5122 6.5122 10.0089 10.0089 10.7090 10.7090 15.0227 15.0227 21.8236 21.8236 25.8386 25.8386 28.2660 28.2660 k = 0.5370-0.2245 0.4082 ( 616 PWs) bands (ev): -2.1501 -2.1501 -0.5955 -0.5955 -0.0957 -0.0957 -0.0543 -0.0543 0.1581 0.1581 2.7559 2.7559 6.4877 6.4877 10.1169 10.1169 10.6853 10.6853 14.9243 14.9243 21.7763 21.7763 25.8589 25.8589 28.3159 28.3159 k = 0.5324-0.2325 0.4082 ( 624 PWs) bands (ev): -2.1576 -2.1576 -0.5966 -0.5966 -0.0935 -0.0935 -0.0521 -0.0521 0.1605 0.1605 2.7623 2.7623 6.4658 6.4658 10.2173 10.2173 10.6643 10.6643 14.8324 14.8324 21.7336 21.7336 25.8766 25.8766 28.3582 28.3582 k = 0.5278-0.2406 0.4082 ( 624 PWs) bands (ev): -2.1639 -2.1639 -0.5974 -0.5974 -0.0915 -0.0915 -0.0500 -0.0500 0.1628 0.1628 2.7677 2.7677 6.4469 6.4469 10.3086 10.3086 10.6465 10.6465 14.7483 14.7483 21.6962 21.6962 25.8923 25.8923 28.3937 28.3937 k = 0.5231-0.2486 0.4082 ( 624 PWs) bands (ev): -2.1694 -2.1694 -0.5982 -0.5982 -0.0899 -0.0899 -0.0482 -0.0482 0.1647 0.1647 2.7723 2.7723 6.4309 6.4309 10.3891 10.3891 10.6319 10.6319 14.6736 14.6736 21.6641 21.6641 25.9056 25.9056 28.4222 28.4222 k = 0.5185-0.2566 0.4082 ( 628 PWs) bands (ev): -2.1739 -2.1739 -0.5989 -0.5989 -0.0885 -0.0885 -0.0468 -0.0468 0.1663 0.1663 2.7759 2.7759 6.4178 6.4178 10.4567 10.4567 10.6209 10.6209 14.6097 14.6097 21.6374 21.6374 25.9165 25.9165 28.4442 28.4442 k = 0.5139-0.2646 0.4082 ( 624 PWs) bands (ev): -2.1774 -2.1774 -0.5993 -0.5993 -0.0874 -0.0874 -0.0456 -0.0456 0.1676 0.1676 2.7787 2.7787 6.4075 6.4075 10.5090 10.5090 10.6146 10.6146 14.5582 14.5582 21.6167 21.6167 25.9253 25.9253 28.4606 28.4606 k = 0.5093-0.2726 0.4082 ( 624 PWs) bands (ev): -2.1799 -2.1799 -0.5997 -0.5997 -0.0867 -0.0867 -0.0448 -0.0448 0.1685 0.1685 2.7807 2.7807 6.4002 6.4002 10.5432 10.5432 10.6144 10.6144 14.5203 14.5203 21.6018 21.6018 25.9314 25.9314 28.4718 28.4718 k = 0.5046-0.2807 0.4082 ( 624 PWs) bands (ev): -2.1814 -2.1814 -0.5999 -0.5999 -0.0862 -0.0862 -0.0443 -0.0443 0.1690 0.1690 2.7819 2.7819 6.3958 6.3958 10.5589 10.5589 10.6195 10.6195 14.4971 14.4971 21.5928 21.5928 25.9351 25.9351 28.4783 28.4783 k = 0.5000-0.2887 0.4082 ( 620 PWs) bands (ev): -2.1818 -2.1818 -0.5999 -0.5999 -0.0860 -0.0860 -0.0441 -0.0441 0.1693 0.1693 2.7823 2.7823 6.3944 6.3944 10.5628 10.5628 10.6227 10.6227 14.4893 14.4893 21.5899 21.5899 25.9365 25.9365 28.4805 28.4805 Writing output data file GaN.save init_run : 0.09s CPU 0.23s WALL ( 1 calls) electrons : 26.96s CPU 28.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 26.96s CPU 27.99s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 495 calls) cegterg : 24.07s CPU 24.66s WALL ( 495 calls) Called by sum_band: Called by *egterg: h_psi : 11.22s CPU 11.58s WALL ( 4855 calls) s_psi : 0.40s CPU 0.45s WALL ( 4855 calls) g_psi : 0.01s CPU 0.02s WALL ( 3865 calls) cdiaghg : 12.49s CPU 12.88s WALL ( 4360 calls) cegterg:over : 0.81s CPU 0.80s WALL ( 3865 calls) cegterg:upda : 0.48s CPU 0.49s WALL ( 3865 calls) cegterg:last : 0.25s CPU 0.25s WALL ( 1018 calls) cdiaghg:chol : 0.61s CPU 0.65s WALL ( 4360 calls) cdiaghg:inve : 0.23s CPU 0.22s WALL ( 4360 calls) cdiaghg:para : 0.73s CPU 0.84s WALL ( 8720 calls) Called by h_psi: h_psi:vloc : 10.14s CPU 10.47s WALL ( 4855 calls) h_psi:vnl : 1.07s CPU 1.10s WALL ( 4855 calls) add_vuspsi : 0.54s CPU 0.60s WALL ( 4855 calls) General routines calbec : 0.52s CPU 0.48s WALL ( 4855 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.59s CPU 9.92s WALL ( 371792 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.15s WALL ( 990 calls) Parallel routines fft_scatter : 6.08s CPU 6.15s WALL ( 371815 calls) PWSCF : 34.69s CPU 47.56s WALL This run was terminated on: 18:59: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=