Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:44:56 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: ./ScB2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 67 34 10 2200 792 123 Max 68 35 11 2203 806 126 Sum 2419 1237 361 79231 28763 4477 bravais-lattice index = 14 lattice parameter (alat) = 9.3825 a.u. unit-cell volume = 584.0429 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.382529 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sc 11.00 44.95590 Sc( 1.00) B 3.00 10.81100 B( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) 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 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0111111 -0.0064150 0.0090722), wk = 0.0033223 k( 3) = ( 0.0222222 -0.0128300 0.0181444), wk = 0.0033223 k( 4) = ( 0.0333333 -0.0192450 0.0272165), wk = 0.0033223 k( 5) = ( 0.0444444 -0.0256600 0.0362887), wk = 0.0033223 k( 6) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0033223 k( 7) = ( 0.0666667 -0.0384900 0.0544331), wk = 0.0033223 k( 8) = ( 0.0777778 -0.0449050 0.0635053), wk = 0.0033223 k( 9) = ( 0.0888889 -0.0513200 0.0725775), wk = 0.0033223 k( 10) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0033223 k( 11) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0033223 k( 12) = ( 0.1222222 -0.0705650 0.0997940), wk = 0.0033223 k( 13) = ( 0.1333333 -0.0769800 0.1088662), wk = 0.0033223 k( 14) = ( 0.1444444 -0.0833950 0.1179384), wk = 0.0033223 k( 15) = ( 0.1555556 -0.0898100 0.1270106), wk = 0.0033223 k( 16) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0033223 k( 17) = ( 0.1777778 -0.1026400 0.1451549), wk = 0.0033223 k( 18) = ( 0.1888889 -0.1090551 0.1542271), wk = 0.0033223 k( 19) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0033223 k( 20) = ( 0.2111111 -0.1218851 0.1723715), wk = 0.0033223 k( 21) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0033223 k( 22) = ( 0.2333333 -0.1347151 0.1905159), wk = 0.0033223 k( 23) = ( 0.2444444 -0.1411301 0.1995880), wk = 0.0033223 k( 24) = ( 0.2555556 -0.1475451 0.2086602), wk = 0.0033223 k( 25) = ( 0.2666667 -0.1539601 0.2177324), wk = 0.0033223 k( 26) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0033223 k( 27) = ( 0.2888889 -0.1667901 0.2358768), wk = 0.0033223 k( 28) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0033223 k( 29) = ( 0.3111111 -0.1796201 0.2540212), wk = 0.0033223 k( 30) = ( 0.3222222 -0.1860351 0.2630933), wk = 0.0033223 k( 31) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0033223 k( 32) = ( 0.3444444 -0.1988651 0.2812377), wk = 0.0033223 k( 33) = ( 0.3555556 -0.2052801 0.2903099), wk = 0.0033223 k( 34) = ( 0.3666667 -0.2116951 0.2993821), wk = 0.0033223 k( 35) = ( 0.3777778 -0.2181101 0.3084543), wk = 0.0033223 k( 36) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0033223 k( 37) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0033223 k( 38) = ( 0.4111111 -0.2373551 0.3356708), wk = 0.0033223 k( 39) = ( 0.4222222 -0.2437701 0.3447430), wk = 0.0033223 k( 40) = ( 0.4333333 -0.2501851 0.3538152), wk = 0.0033223 k( 41) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0033223 k( 42) = ( 0.4555556 -0.2630151 0.3719596), wk = 0.0033223 k( 43) = ( 0.4666667 -0.2694301 0.3810317), wk = 0.0033223 k( 44) = ( 0.4777778 -0.2758451 0.3901039), wk = 0.0033223 k( 45) = ( 0.4888889 -0.2822601 0.3991761), wk = 0.0033223 k( 46) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033223 k( 47) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033223 k( 48) = ( 0.5000000 -0.2761240 0.4171233), wk = 0.0033223 k( 49) = ( 0.5000000 -0.2635729 0.4259982), wk = 0.0033223 k( 50) = ( 0.5000000 -0.2510219 0.4348732), wk = 0.0033223 k( 51) = ( 0.5000000 -0.2384708 0.4437481), wk = 0.0033223 k( 52) = ( 0.5000000 -0.2259197 0.4526231), wk = 0.0033223 k( 53) = ( 0.5000000 -0.2133686 0.4614981), wk = 0.0033223 k( 54) = ( 0.5000000 -0.2008175 0.4703730), wk = 0.0033223 k( 55) = ( 0.5000000 -0.1882664 0.4792480), wk = 0.0033223 k( 56) = ( 0.5000000 -0.1757153 0.4881230), wk = 0.0033223 k( 57) = ( 0.5000000 -0.1631642 0.4969979), wk = 0.0033223 k( 58) = ( 0.5000000 -0.1506131 0.5058729), wk = 0.0033223 k( 59) = ( 0.5000000 -0.1380620 0.5147478), wk = 0.0033223 k( 60) = ( 0.5000000 -0.1255109 0.5236228), wk = 0.0033223 k( 61) = ( 0.5000000 -0.1129598 0.5324978), wk = 0.0033223 k( 62) = ( 0.5000000 -0.1004087 0.5413727), wk = 0.0033223 k( 63) = ( 0.5000000 -0.0878577 0.5502477), wk = 0.0033223 k( 64) = ( 0.5000000 -0.0753066 0.5591227), wk = 0.0033223 k( 65) = ( 0.5000000 -0.0627555 0.5679976), wk = 0.0033223 k( 66) = ( 0.5000000 -0.0502044 0.5768726), wk = 0.0033223 k( 67) = ( 0.5000000 -0.0376533 0.5857475), wk = 0.0033223 k( 68) = ( 0.5000000 -0.0251022 0.5946225), wk = 0.0033223 k( 69) = ( 0.5000000 -0.0125511 0.6034975), wk = 0.0033223 k( 70) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 71) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 72) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0033223 k( 73) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0033223 k( 74) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0033223 k( 75) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0033223 k( 76) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0033223 k( 77) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0033223 k( 78) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0033223 k( 79) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0033223 k( 80) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0033223 k( 81) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0033223 k( 82) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0033223 k( 83) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0033223 k( 84) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0033223 k( 85) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0033223 k( 86) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0033223 k( 87) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033223 k( 88) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033223 k( 89) = ( 0.3671875 0.2119958 0.5996147), wk = 0.0033223 k( 90) = ( 0.3593750 0.2074853 0.5868569), wk = 0.0033223 k( 91) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0033223 k( 92) = ( 0.3437500 0.1984642 0.5613414), wk = 0.0033223 k( 93) = ( 0.3359375 0.1939536 0.5485836), wk = 0.0033223 k( 94) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0033223 k( 95) = ( 0.3203125 0.1849325 0.5230681), wk = 0.0033223 k( 96) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0033223 k( 97) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0033223 k( 98) = ( 0.2968750 0.1714009 0.4847948), wk = 0.0033223 k( 99) = ( 0.2890625 0.1668903 0.4720371), wk = 0.0033223 k( 100) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0033223 k( 101) = ( 0.2734375 0.1578692 0.4465216), wk = 0.0033223 k( 102) = ( 0.2656250 0.1533587 0.4337638), wk = 0.0033223 k( 103) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0033223 k( 104) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0033223 k( 105) = ( 0.2421875 0.1398270 0.3954905), wk = 0.0033223 k( 106) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0033223 k( 107) = ( 0.2265625 0.1308059 0.3699750), wk = 0.0033223 k( 108) = ( 0.2187500 0.1262954 0.3572173), wk = 0.0033223 k( 109) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0033223 k( 110) = ( 0.2031250 0.1172743 0.3317017), wk = 0.0033223 k( 111) = ( 0.1953125 0.1127637 0.3189440), wk = 0.0033223 k( 112) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0033223 k( 113) = ( 0.1796875 0.1037426 0.2934285), wk = 0.0033223 k( 114) = ( 0.1718750 0.0992321 0.2806707), wk = 0.0033223 k( 115) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0033223 k( 116) = ( 0.1562500 0.0902110 0.2551552), wk = 0.0033223 k( 117) = ( 0.1484375 0.0857004 0.2423974), wk = 0.0033223 k( 118) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0033223 k( 119) = ( 0.1328125 0.0766793 0.2168819), wk = 0.0033223 k( 120) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0033223 k( 121) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0033223 k( 122) = ( 0.1093750 0.0631477 0.1786086), wk = 0.0033223 k( 123) = ( 0.1015625 0.0586371 0.1658509), wk = 0.0033223 k( 124) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0033223 k( 125) = ( 0.0859375 0.0496160 0.1403353), wk = 0.0033223 k( 126) = ( 0.0781250 0.0451055 0.1275776), wk = 0.0033223 k( 127) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0033223 k( 128) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0033223 k( 129) = ( 0.0546875 0.0315738 0.0893043), wk = 0.0033223 k( 130) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0033223 k( 131) = ( 0.0390625 0.0225527 0.0637888), wk = 0.0033223 k( 132) = ( 0.0312500 0.0180422 0.0510310), wk = 0.0033223 k( 133) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0033223 k( 134) = ( 0.0156250 0.0090211 0.0255155), wk = 0.0033223 k( 135) = ( 0.0078125 0.0045105 0.0127578), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 138) = ( 0.0128205 0.0074019 0.0052340), wk = 0.0033223 k( 139) = ( 0.0256410 0.0148039 0.0104679), wk = 0.0033223 k( 140) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0033223 k( 141) = ( 0.0512821 0.0296077 0.0209358), wk = 0.0033223 k( 142) = ( 0.0641026 0.0370096 0.0261698), wk = 0.0033223 k( 143) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0033223 k( 144) = ( 0.0897436 0.0518135 0.0366377), wk = 0.0033223 k( 145) = ( 0.1025641 0.0592154 0.0418716), wk = 0.0033223 k( 146) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0033223 k( 147) = ( 0.1282051 0.0740193 0.0523395), wk = 0.0033223 k( 148) = ( 0.1410256 0.0814212 0.0575735), wk = 0.0033223 k( 149) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0033223 k( 150) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0033223 k( 151) = ( 0.1794872 0.1036270 0.0732753), wk = 0.0033223 k( 152) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0033223 k( 153) = ( 0.2051282 0.1184308 0.0837432), wk = 0.0033223 k( 154) = ( 0.2179487 0.1258328 0.0889772), wk = 0.0033223 k( 155) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0033223 k( 156) = ( 0.2435897 0.1406366 0.0994451), wk = 0.0033223 k( 157) = ( 0.2564103 0.1480385 0.1046791), wk = 0.0033223 k( 158) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0033223 k( 159) = ( 0.2820513 0.1628424 0.1151470), wk = 0.0033223 k( 160) = ( 0.2948718 0.1702443 0.1203809), wk = 0.0033223 k( 161) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0033223 k( 162) = ( 0.3205128 0.1850482 0.1308488), wk = 0.0033223 k( 163) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0033223 k( 164) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0033223 k( 165) = ( 0.3589744 0.2072539 0.1465507), wk = 0.0033223 k( 166) = ( 0.3717949 0.2146559 0.1517846), wk = 0.0033223 k( 167) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0033223 k( 168) = ( 0.3974359 0.2294597 0.1622525), wk = 0.0033223 k( 169) = ( 0.4102564 0.2368616 0.1674865), wk = 0.0033223 k( 170) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0033223 k( 171) = ( 0.4358974 0.2516655 0.1779544), wk = 0.0033223 k( 172) = ( 0.4487179 0.2590674 0.1831883), wk = 0.0033223 k( 173) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0033223 k( 174) = ( 0.4743590 0.2738713 0.1936562), wk = 0.0033223 k( 175) = ( 0.4871795 0.2812732 0.1988902), wk = 0.0033223 k( 176) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 177) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 178) = ( 0.5044643 0.2757879 0.2114143), wk = 0.0033223 k( 179) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0033223 k( 180) = ( 0.5133929 0.2500133 0.2259946), wk = 0.0033223 k( 181) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0033223 k( 182) = ( 0.5223214 0.2242387 0.2405749), wk = 0.0033223 k( 183) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0033223 k( 184) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0033223 k( 185) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0033223 k( 186) = ( 0.5401786 0.1726896 0.2697355), wk = 0.0033223 k( 187) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0033223 k( 188) = ( 0.5491071 0.1469150 0.2843158), wk = 0.0033223 k( 189) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0033223 k( 190) = ( 0.5580357 0.1211405 0.2988961), wk = 0.0033223 k( 191) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0033223 k( 192) = ( 0.5669643 0.0953659 0.3134764), wk = 0.0033223 k( 193) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0033223 k( 194) = ( 0.5758929 0.0695913 0.3280567), wk = 0.0033223 k( 195) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0033223 k( 196) = ( 0.5848214 0.0438168 0.3426370), wk = 0.0033223 k( 197) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0033223 k( 198) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0033223 k( 199) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0033223 k( 200) = ( 0.6026786 -0.0077324 0.3717975), wk = 0.0033223 k( 201) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0033223 k( 202) = ( 0.6116071 -0.0335069 0.3863778), wk = 0.0033223 k( 203) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0033223 k( 204) = ( 0.6205357 -0.0592815 0.4009581), wk = 0.0033223 k( 205) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033223 k( 206) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033223 k( 207) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0033223 k( 208) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0033223 k( 209) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0033223 k( 210) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0033223 k( 211) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0033223 k( 212) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0033223 k( 213) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0033223 k( 214) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0033223 k( 215) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0033223 k( 216) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0033223 k( 217) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0033223 k( 218) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0033223 k( 219) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0033223 k( 220) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0033223 k( 221) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0033223 k( 222) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 223) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 224) = ( 0.5000000 0.0090211 0.5996147), wk = 0.0033223 k( 225) = ( 0.5000000 0.0180422 0.5868569), wk = 0.0033223 k( 226) = ( 0.5000000 0.0270633 0.5740992), wk = 0.0033223 k( 227) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0033223 k( 228) = ( 0.5000000 0.0451055 0.5485836), wk = 0.0033223 k( 229) = ( 0.5000000 0.0541266 0.5358259), wk = 0.0033223 k( 230) = ( 0.5000000 0.0631477 0.5230681), wk = 0.0033223 k( 231) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0033223 k( 232) = ( 0.5000000 0.0811899 0.4975526), wk = 0.0033223 k( 233) = ( 0.5000000 0.0902110 0.4847948), wk = 0.0033223 k( 234) = ( 0.5000000 0.0992321 0.4720371), wk = 0.0033223 k( 235) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0033223 k( 236) = ( 0.5000000 0.1172743 0.4465216), wk = 0.0033223 k( 237) = ( 0.5000000 0.1262954 0.4337638), wk = 0.0033223 k( 238) = ( 0.5000000 0.1353165 0.4210060), wk = 0.0033223 k( 239) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0033223 k( 240) = ( 0.5000000 0.1533587 0.3954905), wk = 0.0033223 k( 241) = ( 0.5000000 0.1623798 0.3827328), wk = 0.0033223 k( 242) = ( 0.5000000 0.1714009 0.3699750), wk = 0.0033223 k( 243) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0033223 k( 244) = ( 0.5000000 0.1894431 0.3444595), wk = 0.0033223 k( 245) = ( 0.5000000 0.1984642 0.3317017), wk = 0.0033223 k( 246) = ( 0.5000000 0.2074853 0.3189440), wk = 0.0033223 k( 247) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0033223 k( 248) = ( 0.5000000 0.2255274 0.2934285), wk = 0.0033223 k( 249) = ( 0.5000000 0.2345485 0.2806707), wk = 0.0033223 k( 250) = ( 0.5000000 0.2435696 0.2679129), wk = 0.0033223 k( 251) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0033223 k( 252) = ( 0.5000000 0.2616118 0.2423974), wk = 0.0033223 k( 253) = ( 0.5000000 0.2706329 0.2296397), wk = 0.0033223 k( 254) = ( 0.5000000 0.2796540 0.2168819), wk = 0.0033223 k( 255) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 256) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 257) = ( 0.4955357 0.2860977 0.2187044), wk = 0.0033223 k( 258) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0033223 k( 259) = ( 0.4866071 0.2809428 0.2478650), wk = 0.0033223 k( 260) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0033223 k( 261) = ( 0.4776786 0.2757879 0.2770256), wk = 0.0033223 k( 262) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0033223 k( 263) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0033223 k( 264) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0033223 k( 265) = ( 0.4598214 0.2654780 0.3353468), wk = 0.0033223 k( 266) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0033223 k( 267) = ( 0.4508929 0.2603231 0.3645074), wk = 0.0033223 k( 268) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0033223 k( 269) = ( 0.4419643 0.2551682 0.3936680), wk = 0.0033223 k( 270) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0033223 k( 271) = ( 0.4330357 0.2500133 0.4228286), wk = 0.0033223 k( 272) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0033223 k( 273) = ( 0.4241071 0.2448584 0.4519892), wk = 0.0033223 k( 274) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0033223 k( 275) = ( 0.4151786 0.2397035 0.4811498), wk = 0.0033223 k( 276) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0033223 k( 277) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0033223 k( 278) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0033223 k( 279) = ( 0.3973214 0.2293936 0.5394710), wk = 0.0033223 k( 280) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0033223 k( 281) = ( 0.3883929 0.2242387 0.5686316), wk = 0.0033223 k( 282) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0033223 k( 283) = ( 0.3794643 0.2190838 0.5977921), wk = 0.0033223 k( 284) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033223 k( 285) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033223 k( 286) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0033223 k( 287) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0033223 k( 288) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0033223 k( 289) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0033223 k( 290) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0033223 k( 291) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0033223 k( 292) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0033223 k( 293) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0033223 k( 294) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0033223 k( 295) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0033223 k( 296) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0033223 k( 297) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0033223 k( 298) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0033223 k( 299) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0033223 k( 300) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0033223 k( 301) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0111111 -0.0000000 0.0111111), wk = 0.0033223 k( 3) = ( 0.0222222 -0.0000000 0.0222222), wk = 0.0033223 k( 4) = ( 0.0333333 -0.0000000 0.0333333), wk = 0.0033223 k( 5) = ( 0.0444444 -0.0000000 0.0444444), wk = 0.0033223 k( 6) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0033223 k( 7) = ( 0.0666667 -0.0000000 0.0666667), wk = 0.0033223 k( 8) = ( 0.0777778 -0.0000000 0.0777778), wk = 0.0033223 k( 9) = ( 0.0888889 -0.0000000 0.0888889), wk = 0.0033223 k( 10) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0033223 k( 11) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0033223 k( 12) = ( 0.1222222 -0.0000000 0.1222222), wk = 0.0033223 k( 13) = ( 0.1333333 -0.0000000 0.1333333), wk = 0.0033223 k( 14) = ( 0.1444444 -0.0000000 0.1444444), wk = 0.0033223 k( 15) = ( 0.1555556 -0.0000000 0.1555556), wk = 0.0033223 k( 16) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0033223 k( 17) = ( 0.1777778 -0.0000000 0.1777778), wk = 0.0033223 k( 18) = ( 0.1888889 -0.0000000 0.1888889), wk = 0.0033223 k( 19) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0033223 k( 20) = ( 0.2111111 -0.0000000 0.2111111), wk = 0.0033223 k( 21) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0033223 k( 22) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0033223 k( 23) = ( 0.2444444 -0.0000000 0.2444444), wk = 0.0033223 k( 24) = ( 0.2555556 -0.0000000 0.2555556), wk = 0.0033223 k( 25) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0033223 k( 26) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0033223 k( 27) = ( 0.2888889 0.0000000 0.2888889), wk = 0.0033223 k( 28) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0033223 k( 29) = ( 0.3111111 0.0000000 0.3111111), wk = 0.0033223 k( 30) = ( 0.3222222 -0.0000000 0.3222222), wk = 0.0033223 k( 31) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0033223 k( 32) = ( 0.3444444 -0.0000000 0.3444444), wk = 0.0033223 k( 33) = ( 0.3555556 -0.0000000 0.3555556), wk = 0.0033223 k( 34) = ( 0.3666667 -0.0000000 0.3666667), wk = 0.0033223 k( 35) = ( 0.3777778 -0.0000000 0.3777778), wk = 0.0033223 k( 36) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0033223 k( 37) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0033223 k( 38) = ( 0.4111111 -0.0000000 0.4111111), wk = 0.0033223 k( 39) = ( 0.4222222 -0.0000000 0.4222222), wk = 0.0033223 k( 40) = ( 0.4333333 -0.0000000 0.4333333), wk = 0.0033223 k( 41) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0033223 k( 42) = ( 0.4555556 -0.0000000 0.4555556), wk = 0.0033223 k( 43) = ( 0.4666667 -0.0000000 0.4666667), wk = 0.0033223 k( 44) = ( 0.4777778 -0.0000000 0.4777778), wk = 0.0033223 k( 45) = ( 0.4888889 -0.0000000 0.4888889), wk = 0.0033223 k( 46) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 47) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 48) = ( 0.5000000 0.0108696 0.5108696), wk = 0.0033223 k( 49) = ( 0.5000000 0.0217391 0.5217391), wk = 0.0033223 k( 50) = ( 0.5000000 0.0326087 0.5326087), wk = 0.0033223 k( 51) = ( 0.5000000 0.0434783 0.5434783), wk = 0.0033223 k( 52) = ( 0.5000000 0.0543478 0.5543478), wk = 0.0033223 k( 53) = ( 0.5000000 0.0652174 0.5652174), wk = 0.0033223 k( 54) = ( 0.5000000 0.0760870 0.5760870), wk = 0.0033223 k( 55) = ( 0.5000000 0.0869565 0.5869565), wk = 0.0033223 k( 56) = ( 0.5000000 0.0978261 0.5978261), wk = 0.0033223 k( 57) = ( 0.5000000 0.1086957 0.6086957), wk = 0.0033223 k( 58) = ( 0.5000000 0.1195652 0.6195652), wk = 0.0033223 k( 59) = ( 0.5000000 0.1304348 0.6304348), wk = 0.0033223 k( 60) = ( 0.5000000 0.1413043 0.6413043), wk = 0.0033223 k( 61) = ( 0.5000000 0.1521739 0.6521739), wk = 0.0033223 k( 62) = ( 0.5000000 0.1630435 0.6630435), wk = 0.0033223 k( 63) = ( 0.5000000 0.1739130 0.6739130), wk = 0.0033223 k( 64) = ( 0.5000000 0.1847826 0.6847826), wk = 0.0033223 k( 65) = ( 0.5000000 0.1956522 0.6956522), wk = 0.0033223 k( 66) = ( 0.5000000 0.2065217 0.7065217), wk = 0.0033223 k( 67) = ( 0.5000000 0.2173913 0.7173913), wk = 0.0033223 k( 68) = ( 0.5000000 0.2282609 0.7282609), wk = 0.0033223 k( 69) = ( 0.5000000 0.2391304 0.7391304), wk = 0.0033223 k( 70) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 71) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 72) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0033223 k( 73) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0033223 k( 74) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0033223 k( 75) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0033223 k( 76) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0033223 k( 77) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0033223 k( 78) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0033223 k( 79) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0033223 k( 80) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0033223 k( 81) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0033223 k( 82) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0033223 k( 83) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0033223 k( 84) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0033223 k( 85) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0033223 k( 86) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0033223 k( 87) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033223 k( 88) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033223 k( 89) = ( 0.3671875 0.3671875 0.7343750), wk = 0.0033223 k( 90) = ( 0.3593750 0.3593750 0.7187500), wk = 0.0033223 k( 91) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0033223 k( 92) = ( 0.3437500 0.3437500 0.6875000), wk = 0.0033223 k( 93) = ( 0.3359375 0.3359375 0.6718750), wk = 0.0033223 k( 94) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0033223 k( 95) = ( 0.3203125 0.3203125 0.6406250), wk = 0.0033223 k( 96) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0033223 k( 97) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0033223 k( 98) = ( 0.2968750 0.2968750 0.5937500), wk = 0.0033223 k( 99) = ( 0.2890625 0.2890625 0.5781250), wk = 0.0033223 k( 100) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0033223 k( 101) = ( 0.2734375 0.2734375 0.5468750), wk = 0.0033223 k( 102) = ( 0.2656250 0.2656250 0.5312500), wk = 0.0033223 k( 103) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0033223 k( 104) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 105) = ( 0.2421875 0.2421875 0.4843750), wk = 0.0033223 k( 106) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0033223 k( 107) = ( 0.2265625 0.2265625 0.4531250), wk = 0.0033223 k( 108) = ( 0.2187500 0.2187500 0.4375000), wk = 0.0033223 k( 109) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0033223 k( 110) = ( 0.2031250 0.2031250 0.4062500), wk = 0.0033223 k( 111) = ( 0.1953125 0.1953125 0.3906250), wk = 0.0033223 k( 112) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0033223 k( 113) = ( 0.1796875 0.1796875 0.3593750), wk = 0.0033223 k( 114) = ( 0.1718750 0.1718750 0.3437500), wk = 0.0033223 k( 115) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0033223 k( 116) = ( 0.1562500 0.1562500 0.3125000), wk = 0.0033223 k( 117) = ( 0.1484375 0.1484375 0.2968750), wk = 0.0033223 k( 118) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0033223 k( 119) = ( 0.1328125 0.1328125 0.2656250), wk = 0.0033223 k( 120) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0033223 k( 121) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0033223 k( 122) = ( 0.1093750 0.1093750 0.2187500), wk = 0.0033223 k( 123) = ( 0.1015625 0.1015625 0.2031250), wk = 0.0033223 k( 124) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0033223 k( 125) = ( 0.0859375 0.0859375 0.1718750), wk = 0.0033223 k( 126) = ( 0.0781250 0.0781250 0.1562500), wk = 0.0033223 k( 127) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0033223 k( 128) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0033223 k( 129) = ( 0.0546875 0.0546875 0.1093750), wk = 0.0033223 k( 130) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0033223 k( 131) = ( 0.0390625 0.0390625 0.0781250), wk = 0.0033223 k( 132) = ( 0.0312500 0.0312500 0.0625000), wk = 0.0033223 k( 133) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0033223 k( 134) = ( 0.0156250 0.0156250 0.0312500), wk = 0.0033223 k( 135) = ( 0.0078125 0.0078125 0.0156250), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 138) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0033223 k( 139) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0033223 k( 140) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0033223 k( 141) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0033223 k( 142) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0033223 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0033223 k( 144) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0033223 k( 145) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0033223 k( 146) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0033223 k( 147) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0033223 k( 148) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0033223 k( 149) = ( 0.1538461 0.1538461 0.1538462), wk = 0.0033223 k( 150) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033223 k( 151) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0033223 k( 152) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0033223 k( 153) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0033223 k( 154) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0033223 k( 155) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0033223 k( 156) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0033223 k( 157) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0033223 k( 158) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0033223 k( 159) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0033223 k( 160) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0033223 k( 161) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0033223 k( 162) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0033223 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033223 k( 164) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0033223 k( 165) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0033223 k( 166) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0033223 k( 167) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0033223 k( 168) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0033223 k( 169) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0033223 k( 170) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0033223 k( 171) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0033223 k( 172) = ( 0.4487179 0.4487180 0.4487180), wk = 0.0033223 k( 173) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0033223 k( 174) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0033223 k( 175) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0033223 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.5044643 0.4910714 0.5044643), wk = 0.0033223 k( 179) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0033223 k( 180) = ( 0.5133929 0.4732143 0.5133929), wk = 0.0033223 k( 181) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0033223 k( 182) = ( 0.5223214 0.4553571 0.5223214), wk = 0.0033223 k( 183) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0033223 k( 184) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0033223 k( 185) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0033223 k( 186) = ( 0.5401786 0.4196429 0.5401786), wk = 0.0033223 k( 187) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0033223 k( 188) = ( 0.5491071 0.4017857 0.5491071), wk = 0.0033223 k( 189) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0033223 k( 190) = ( 0.5580357 0.3839286 0.5580357), wk = 0.0033223 k( 191) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0033223 k( 192) = ( 0.5669643 0.3660714 0.5669643), wk = 0.0033223 k( 193) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0033223 k( 194) = ( 0.5758929 0.3482143 0.5758929), wk = 0.0033223 k( 195) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0033223 k( 196) = ( 0.5848214 0.3303571 0.5848214), wk = 0.0033223 k( 197) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0033223 k( 198) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0033223 k( 199) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0033223 k( 200) = ( 0.6026786 0.2946429 0.6026786), wk = 0.0033223 k( 201) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0033223 k( 202) = ( 0.6116071 0.2767857 0.6116071), wk = 0.0033223 k( 203) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0033223 k( 204) = ( 0.6205357 0.2589286 0.6205357), wk = 0.0033223 k( 205) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033223 k( 206) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033223 k( 207) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0033223 k( 208) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0033223 k( 209) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0033223 k( 210) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0033223 k( 211) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0033223 k( 212) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0033223 k( 213) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0033223 k( 214) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0033223 k( 215) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0033223 k( 216) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0033223 k( 217) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0033223 k( 218) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0033223 k( 219) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0033223 k( 220) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0033223 k( 221) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0033223 k( 222) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 223) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 224) = ( 0.5000000 0.2578125 0.7421875), wk = 0.0033223 k( 225) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0033223 k( 226) = ( 0.5000000 0.2734375 0.7265625), wk = 0.0033223 k( 227) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0033223 k( 228) = ( 0.5000000 0.2890625 0.7109375), wk = 0.0033223 k( 229) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0033223 k( 230) = ( 0.5000000 0.3046875 0.6953125), wk = 0.0033223 k( 231) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0033223 k( 232) = ( 0.5000000 0.3203125 0.6796875), wk = 0.0033223 k( 233) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0033223 k( 234) = ( 0.5000000 0.3359375 0.6640625), wk = 0.0033223 k( 235) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0033223 k( 236) = ( 0.5000000 0.3515625 0.6484375), wk = 0.0033223 k( 237) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0033223 k( 238) = ( 0.5000000 0.3671875 0.6328125), wk = 0.0033223 k( 239) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0033223 k( 240) = ( 0.5000000 0.3828125 0.6171875), wk = 0.0033223 k( 241) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0033223 k( 242) = ( 0.5000000 0.3984375 0.6015625), wk = 0.0033223 k( 243) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0033223 k( 244) = ( 0.5000000 0.4140625 0.5859375), wk = 0.0033223 k( 245) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0033223 k( 246) = ( 0.5000000 0.4296875 0.5703125), wk = 0.0033223 k( 247) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0033223 k( 248) = ( 0.5000000 0.4453125 0.5546875), wk = 0.0033223 k( 249) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0033223 k( 250) = ( 0.5000000 0.4609375 0.5390625), wk = 0.0033223 k( 251) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0033223 k( 252) = ( 0.5000000 0.4765625 0.5234375), wk = 0.0033223 k( 253) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0033223 k( 254) = ( 0.5000000 0.4921875 0.5078125), wk = 0.0033223 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 257) = ( 0.4955357 0.4955357 0.5089286), wk = 0.0033223 k( 258) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0033223 k( 259) = ( 0.4866071 0.4866071 0.5267857), wk = 0.0033223 k( 260) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0033223 k( 261) = ( 0.4776786 0.4776786 0.5446429), wk = 0.0033223 k( 262) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0033223 k( 263) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0033223 k( 264) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0033223 k( 265) = ( 0.4598214 0.4598214 0.5803571), wk = 0.0033223 k( 266) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0033223 k( 267) = ( 0.4508929 0.4508929 0.5982143), wk = 0.0033223 k( 268) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0033223 k( 269) = ( 0.4419643 0.4419643 0.6160714), wk = 0.0033223 k( 270) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0033223 k( 271) = ( 0.4330357 0.4330357 0.6339286), wk = 0.0033223 k( 272) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0033223 k( 273) = ( 0.4241071 0.4241071 0.6517857), wk = 0.0033223 k( 274) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0033223 k( 275) = ( 0.4151786 0.4151786 0.6696429), wk = 0.0033223 k( 276) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0033223 k( 277) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0033223 k( 278) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0033223 k( 279) = ( 0.3973214 0.3973214 0.7053571), wk = 0.0033223 k( 280) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0033223 k( 281) = ( 0.3883929 0.3883929 0.7232143), wk = 0.0033223 k( 282) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0033223 k( 283) = ( 0.3794643 0.3794643 0.7410714), wk = 0.0033223 k( 284) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033223 k( 285) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033223 k( 286) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0033223 k( 287) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0033223 k( 288) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0033223 k( 289) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0033223 k( 290) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0033223 k( 291) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0033223 k( 292) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0033223 k( 293) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0033223 k( 294) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0033223 k( 295) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0033223 k( 296) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0033223 k( 297) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0033223 k( 298) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0033223 k( 299) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0033223 k( 300) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0033223 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 Dense grid: 79231 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 28763 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 202, 42) NL pseudopotentials 0.19 Mb ( 101, 124) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2201) G-vector shells 0.00 Mb ( 523) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 202, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.16 Mb ( 124, 2, 42) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./ScB2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.2 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.7 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.6 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.7 secs Computing kpt #: 28 total cpu time spent up to now is 16.2 secs Computing kpt #: 29 total cpu time spent up to now is 16.8 secs Computing kpt #: 30 total cpu time spent up to now is 17.4 secs Computing kpt #: 31 total cpu time spent up to now is 17.9 secs Computing kpt #: 32 total cpu time spent up to now is 18.4 secs Computing kpt #: 33 total cpu time spent up to now is 18.9 secs Computing kpt #: 34 total cpu time spent up to now is 19.5 secs Computing kpt #: 35 total cpu time spent up to now is 20.0 secs Computing kpt #: 36 total cpu time spent up to now is 20.5 secs Computing kpt #: 37 total cpu time spent up to now is 21.0 secs Computing kpt #: 38 total cpu time spent up to now is 21.5 secs Computing kpt #: 39 total cpu time spent up to now is 22.0 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.2 secs Computing kpt #: 42 total cpu time spent up to now is 23.7 secs Computing kpt #: 43 total cpu time spent up to now is 24.3 secs Computing kpt #: 44 total cpu time spent up to now is 25.0 secs Computing kpt #: 45 total cpu time spent up to now is 25.7 secs Computing kpt #: 46 total cpu time spent up to now is 26.3 secs Computing kpt #: 47 total cpu time spent up to now is 27.0 secs Computing kpt #: 48 total cpu time spent up to now is 27.7 secs Computing kpt #: 49 total cpu time spent up to now is 28.4 secs Computing kpt #: 50 total cpu time spent up to now is 29.1 secs Computing kpt #: 51 total cpu time spent up to now is 29.9 secs Computing kpt #: 52 total cpu time spent up to now is 31.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.1 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 33.3 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.5 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.6 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.8 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.0 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.2 secs Computing kpt #: 60 total cpu time spent up to now is 39.8 secs Computing kpt #: 61 total cpu time spent up to now is 40.4 secs Computing kpt #: 62 total cpu time spent up to now is 41.0 secs Computing kpt #: 63 total cpu time spent up to now is 41.7 secs Computing kpt #: 64 total cpu time spent up to now is 42.3 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.5 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.7 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.0 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.1 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.4 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.6 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.9 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.1 secs Computing kpt #: 73 total cpu time spent up to now is 53.0 secs Computing kpt #: 74 total cpu time spent up to now is 53.6 secs Computing kpt #: 75 total cpu time spent up to now is 54.3 secs Computing kpt #: 76 total cpu time spent up to now is 55.0 secs Computing kpt #: 77 total cpu time spent up to now is 55.6 secs Computing kpt #: 78 total cpu time spent up to now is 56.2 secs Computing kpt #: 79 total cpu time spent up to now is 56.9 secs Computing kpt #: 80 total cpu time spent up to now is 57.4 secs Computing kpt #: 81 total cpu time spent up to now is 58.0 secs Computing kpt #: 82 total cpu time spent up to now is 58.5 secs Computing kpt #: 83 total cpu time spent up to now is 59.0 secs Computing kpt #: 84 total cpu time spent up to now is 59.4 secs Computing kpt #: 85 total cpu time spent up to now is 59.8 secs Computing kpt #: 86 total cpu time spent up to now is 60.2 secs Computing kpt #: 87 total cpu time spent up to now is 60.6 secs Computing kpt #: 88 total cpu time spent up to now is 61.1 secs Computing kpt #: 89 total cpu time spent up to now is 61.5 secs Computing kpt #: 90 total cpu time spent up to now is 61.9 secs Computing kpt #: 91 total cpu time spent up to now is 62.3 secs Computing kpt #: 92 total cpu time spent up to now is 62.7 secs Computing kpt #: 93 total cpu time spent up to now is 63.1 secs Computing kpt #: 94 total cpu time spent up to now is 63.6 secs Computing kpt #: 95 total cpu time spent up to now is 64.1 secs Computing kpt #: 96 total cpu time spent up to now is 64.5 secs Computing kpt #: 97 total cpu time spent up to now is 65.0 secs Computing kpt #: 98 total cpu time spent up to now is 65.4 secs Computing kpt #: 99 total cpu time spent up to now is 65.9 secs Computing kpt #: 100 total cpu time spent up to now is 66.3 secs Computing kpt #: 101 total cpu time spent up to now is 66.7 secs Computing kpt #: 102 total cpu time spent up to now is 67.1 secs Computing kpt #: 103 total cpu time spent up to now is 67.6 secs Computing kpt #: 104 total cpu time spent up to now is 68.1 secs Computing kpt #: 105 total cpu time spent up to now is 68.5 secs Computing kpt #: 106 total cpu time spent up to now is 69.0 secs Computing kpt #: 107 total cpu time spent up to now is 69.5 secs Computing kpt #: 108 total cpu time spent up to now is 70.0 secs Computing kpt #: 109 total cpu time spent up to now is 70.5 secs Computing kpt #: 110 total cpu time spent up to now is 71.1 secs Computing kpt #: 111 total cpu time spent up to now is 71.8 secs Computing kpt #: 112 total cpu time spent up to now is 72.7 secs Computing kpt #: 113 total cpu time spent up to now is 73.5 secs Computing kpt #: 114 total cpu time spent up to now is 74.1 secs Computing kpt #: 115 total cpu time spent up to now is 74.7 secs Computing kpt #: 116 total cpu time spent up to now is 75.2 secs Computing kpt #: 117 total cpu time spent up to now is 75.8 secs Computing kpt #: 118 total cpu time spent up to now is 76.3 secs Computing kpt #: 119 total cpu time spent up to now is 76.9 secs Computing kpt #: 120 total cpu time spent up to now is 77.4 secs Computing kpt #: 121 total cpu time spent up to now is 77.9 secs Computing kpt #: 122 total cpu time spent up to now is 78.4 secs Computing kpt #: 123 total cpu time spent up to now is 78.9 secs Computing kpt #: 124 total cpu time spent up to now is 79.4 secs Computing kpt #: 125 total cpu time spent up to now is 79.8 secs Computing kpt #: 126 total cpu time spent up to now is 80.3 secs Computing kpt #: 127 total cpu time spent up to now is 80.7 secs Computing kpt #: 128 total cpu time spent up to now is 81.1 secs Computing kpt #: 129 total cpu time spent up to now is 81.5 secs Computing kpt #: 130 total cpu time spent up to now is 81.9 secs Computing kpt #: 131 total cpu time spent up to now is 82.2 secs Computing kpt #: 132 total cpu time spent up to now is 82.6 secs Computing kpt #: 133 total cpu time spent up to now is 83.0 secs Computing kpt #: 134 total cpu time spent up to now is 83.4 secs Computing kpt #: 135 total cpu time spent up to now is 83.8 secs Computing kpt #: 136 total cpu time spent up to now is 84.2 secs Computing kpt #: 137 total cpu time spent up to now is 84.6 secs Computing kpt #: 138 total cpu time spent up to now is 85.0 secs Computing kpt #: 139 total cpu time spent up to now is 85.4 secs Computing kpt #: 140 total cpu time spent up to now is 85.8 secs Computing kpt #: 141 total cpu time spent up to now is 86.2 secs Computing kpt #: 142 total cpu time spent up to now is 86.6 secs Computing kpt #: 143 total cpu time spent up to now is 87.0 secs Computing kpt #: 144 total cpu time spent up to now is 87.4 secs Computing kpt #: 145 total cpu time spent up to now is 87.8 secs Computing kpt #: 146 total cpu time spent up to now is 88.2 secs Computing kpt #: 147 total cpu time spent up to now is 88.7 secs Computing kpt #: 148 total cpu time spent up to now is 89.1 secs Computing kpt #: 149 total cpu time spent up to now is 89.6 secs Computing kpt #: 150 total cpu time spent up to now is 90.1 secs Computing kpt #: 151 total cpu time spent up to now is 90.5 secs Computing kpt #: 152 total cpu time spent up to now is 91.0 secs Computing kpt #: 153 total cpu time spent up to now is 91.5 secs Computing kpt #: 154 total cpu time spent up to now is 92.0 secs Computing kpt #: 155 total cpu time spent up to now is 92.6 secs Computing kpt #: 156 total cpu time spent up to now is 93.1 secs Computing kpt #: 157 total cpu time spent up to now is 93.6 secs Computing kpt #: 158 total cpu time spent up to now is 94.1 secs Computing kpt #: 159 total cpu time spent up to now is 94.6 secs Computing kpt #: 160 total cpu time spent up to now is 95.2 secs Computing kpt #: 161 total cpu time spent up to now is 95.7 secs Computing kpt #: 162 total cpu time spent up to now is 96.2 secs Computing kpt #: 163 total cpu time spent up to now is 96.7 secs Computing kpt #: 164 total cpu time spent up to now is 97.1 secs Computing kpt #: 165 total cpu time spent up to now is 97.7 secs Computing kpt #: 166 total cpu time spent up to now is 98.2 secs Computing kpt #: 167 total cpu time spent up to now is 98.7 secs Computing kpt #: 168 total cpu time spent up to now is 99.2 secs Computing kpt #: 169 total cpu time spent up to now is 99.8 secs Computing kpt #: 170 total cpu time spent up to now is 100.5 secs Computing kpt #: 171 total cpu time spent up to now is 101.2 secs Computing kpt #: 172 total cpu time spent up to now is 102.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.0 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.2 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.4 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.7 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.9 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.1 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.3 secs Computing kpt #: 181 total cpu time spent up to now is 113.1 secs Computing kpt #: 182 total cpu time spent up to now is 114.1 secs Computing kpt #: 183 total cpu time spent up to now is 114.9 secs Computing kpt #: 184 total cpu time spent up to now is 115.6 secs Computing kpt #: 185 total cpu time spent up to now is 116.3 secs Computing kpt #: 186 total cpu time spent up to now is 117.1 secs Computing kpt #: 187 total cpu time spent up to now is 117.8 secs Computing kpt #: 188 total cpu time spent up to now is 118.6 secs Computing kpt #: 189 total cpu time spent up to now is 119.4 secs Computing kpt #: 190 total cpu time spent up to now is 120.2 secs Computing kpt #: 191 total cpu time spent up to now is 121.0 secs Computing kpt #: 192 total cpu time spent up to now is 121.6 secs Computing kpt #: 193 total cpu time spent up to now is 122.2 secs Computing kpt #: 194 total cpu time spent up to now is 122.7 secs Computing kpt #: 195 total cpu time spent up to now is 123.3 secs Computing kpt #: 196 total cpu time spent up to now is 123.8 secs Computing kpt #: 197 total cpu time spent up to now is 124.3 secs Computing kpt #: 198 total cpu time spent up to now is 124.8 secs Computing kpt #: 199 total cpu time spent up to now is 125.3 secs Computing kpt #: 200 total cpu time spent up to now is 125.8 secs Computing kpt #: 201 total cpu time spent up to now is 126.3 secs Computing kpt #: 202 total cpu time spent up to now is 126.7 secs Computing kpt #: 203 total cpu time spent up to now is 127.1 secs Computing kpt #: 204 total cpu time spent up to now is 127.5 secs Computing kpt #: 205 total cpu time spent up to now is 128.0 secs Computing kpt #: 206 total cpu time spent up to now is 128.5 secs Computing kpt #: 207 total cpu time spent up to now is 128.9 secs Computing kpt #: 208 total cpu time spent up to now is 129.3 secs Computing kpt #: 209 total cpu time spent up to now is 129.8 secs Computing kpt #: 210 total cpu time spent up to now is 130.3 secs Computing kpt #: 211 total cpu time spent up to now is 130.8 secs Computing kpt #: 212 total cpu time spent up to now is 131.4 secs Computing kpt #: 213 total cpu time spent up to now is 132.0 secs Computing kpt #: 214 total cpu time spent up to now is 132.5 secs Computing kpt #: 215 total cpu time spent up to now is 133.1 secs Computing kpt #: 216 total cpu time spent up to now is 133.8 secs Computing kpt #: 217 total cpu time spent up to now is 134.5 secs Computing kpt #: 218 total cpu time spent up to now is 135.2 secs Computing kpt #: 219 total cpu time spent up to now is 135.8 secs Computing kpt #: 220 total cpu time spent up to now is 136.8 secs Computing kpt #: 221 total cpu time spent up to now is 137.9 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.1 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.3 secs Computing kpt #: 224 total cpu time spent up to now is 141.3 secs Computing kpt #: 225 total cpu time spent up to now is 142.0 secs Computing kpt #: 226 total cpu time spent up to now is 142.6 secs Computing kpt #: 227 total cpu time spent up to now is 143.3 secs Computing kpt #: 228 total cpu time spent up to now is 144.0 secs Computing kpt #: 229 total cpu time spent up to now is 144.7 secs Computing kpt #: 230 total cpu time spent up to now is 145.3 secs Computing kpt #: 231 total cpu time spent up to now is 145.9 secs Computing kpt #: 232 total cpu time spent up to now is 146.4 secs Computing kpt #: 233 total cpu time spent up to now is 146.9 secs Computing kpt #: 234 total cpu time spent up to now is 147.4 secs Computing kpt #: 235 total cpu time spent up to now is 148.0 secs Computing kpt #: 236 total cpu time spent up to now is 148.5 secs Computing kpt #: 237 total cpu time spent up to now is 149.0 secs Computing kpt #: 238 total cpu time spent up to now is 149.5 secs Computing kpt #: 239 total cpu time spent up to now is 150.1 secs Computing kpt #: 240 total cpu time spent up to now is 150.8 secs Computing kpt #: 241 total cpu time spent up to now is 151.7 secs Computing kpt #: 242 total cpu time spent up to now is 152.9 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.2 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.4 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.7 secs Computing kpt #: 246 total cpu time spent up to now is 157.5 secs Computing kpt #: 247 total cpu time spent up to now is 158.5 secs Computing kpt #: 248 total cpu time spent up to now is 159.2 secs Computing kpt #: 249 total cpu time spent up to now is 160.0 secs Computing kpt #: 250 total cpu time spent up to now is 160.8 secs Computing kpt #: 251 total cpu time spent up to now is 161.9 secs Computing kpt #: 252 total cpu time spent up to now is 163.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.5 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.8 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.0 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.2 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.4 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.6 secs Computing kpt #: 260 total cpu time spent up to now is 172.6 secs Computing kpt #: 261 total cpu time spent up to now is 173.5 secs Computing kpt #: 262 total cpu time spent up to now is 174.5 secs Computing kpt #: 263 total cpu time spent up to now is 175.3 secs Computing kpt #: 264 total cpu time spent up to now is 176.0 secs Computing kpt #: 265 total cpu time spent up to now is 176.9 secs Computing kpt #: 266 total cpu time spent up to now is 177.6 secs Computing kpt #: 267 total cpu time spent up to now is 178.4 secs Computing kpt #: 268 total cpu time spent up to now is 179.1 secs Computing kpt #: 269 total cpu time spent up to now is 179.8 secs Computing kpt #: 270 total cpu time spent up to now is 180.4 secs Computing kpt #: 271 total cpu time spent up to now is 181.1 secs Computing kpt #: 272 total cpu time spent up to now is 181.7 secs Computing kpt #: 273 total cpu time spent up to now is 182.2 secs Computing kpt #: 274 total cpu time spent up to now is 182.8 secs Computing kpt #: 275 total cpu time spent up to now is 183.3 secs Computing kpt #: 276 total cpu time spent up to now is 183.8 secs Computing kpt #: 277 total cpu time spent up to now is 184.3 secs Computing kpt #: 278 total cpu time spent up to now is 184.8 secs Computing kpt #: 279 total cpu time spent up to now is 185.3 secs Computing kpt #: 280 total cpu time spent up to now is 185.7 secs Computing kpt #: 281 total cpu time spent up to now is 186.2 secs Computing kpt #: 282 total cpu time spent up to now is 186.6 secs Computing kpt #: 283 total cpu time spent up to now is 187.0 secs Computing kpt #: 284 total cpu time spent up to now is 187.4 secs Computing kpt #: 285 total cpu time spent up to now is 187.8 secs Computing kpt #: 286 total cpu time spent up to now is 188.2 secs Computing kpt #: 287 total cpu time spent up to now is 188.7 secs Computing kpt #: 288 total cpu time spent up to now is 189.4 secs Computing kpt #: 289 total cpu time spent up to now is 190.5 secs Computing kpt #: 290 total cpu time spent up to now is 191.2 secs Computing kpt #: 291 total cpu time spent up to now is 191.8 secs Computing kpt #: 292 total cpu time spent up to now is 192.4 secs Computing kpt #: 293 total cpu time spent up to now is 192.9 secs Computing kpt #: 294 total cpu time spent up to now is 193.4 secs Computing kpt #: 295 total cpu time spent up to now is 193.8 secs Computing kpt #: 296 total cpu time spent up to now is 194.3 secs Computing kpt #: 297 total cpu time spent up to now is 194.8 secs Computing kpt #: 298 total cpu time spent up to now is 195.3 secs Computing kpt #: 299 total cpu time spent up to now is 195.9 secs Computing kpt #: 300 total cpu time spent up to now is 196.5 secs Computing kpt #: 301 total cpu time spent up to now is 197.3 secs ethr = 2.94E-08, avg # of iterations = 46.1 total cpu time spent up to now is 197.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3647 PWs) bands (ev): -41.3803 -41.3803 -41.2898 -41.2898 -20.3904 -20.3904 -20.1976 -20.1976 -19.8879 -19.8879 -19.8879 -19.8879 -19.6858 -19.6858 -19.6858 -19.6858 -1.9381 -1.9381 4.1766 4.1766 4.9934 4.9934 4.9959 4.9959 4.9959 4.9959 5.4064 5.4064 5.4198 5.4198 5.4198 5.4198 6.0081 6.0081 6.0081 6.0081 10.2897 10.2897 10.2897 10.2897 10.2929 10.2929 k = 0.0111-0.0064 0.0091 ( 3631 PWs) bands (ev): -41.3803 -41.3803 -41.2899 -41.2899 -20.3903 -20.3903 -20.1977 -20.1977 -19.8879 -19.8879 -19.8879 -19.8879 -19.6857 -19.6857 -19.6857 -19.6857 -1.9368 -1.9368 4.1626 4.1626 4.9821 4.9821 4.9836 4.9836 5.0043 5.0043 5.4105 5.4105 5.4277 5.4277 5.4337 5.4337 6.0093 6.0093 6.0143 6.0143 10.2893 10.2893 10.2897 10.2897 10.2928 10.2928 k = 0.0222-0.0128 0.0181 ( 3627 PWs) bands (ev): -41.3802 -41.3802 -41.2899 -41.2899 -20.3902 -20.3902 -20.1980 -20.1980 -19.8879 -19.8879 -19.8877 -19.8877 -19.6857 -19.6857 -19.6857 -19.6857 -1.9331 -1.9331 4.1226 4.1226 4.9498 4.9498 4.9505 4.9505 5.0298 5.0298 5.4058 5.4058 5.4640 5.4640 5.4712 5.4712 6.0130 6.0130 6.0328 6.0328 10.2883 10.2883 10.2894 10.2894 10.2925 10.2925 k = 0.0333-0.0192 0.0272 ( 3619 PWs) bands (ev): -41.3801 -41.3801 -41.2901 -41.2901 -20.3900 -20.3900 -20.1986 -20.1986 -19.8878 -19.8878 -19.8873 -19.8873 -19.6858 -19.6858 -19.6856 -19.6856 -1.9268 -1.9268 4.0618 4.0618 4.9043 4.9043 4.9044 4.9044 5.0666 5.0666 5.3951 5.3951 5.5183 5.5183 5.5251 5.5251 6.0192 6.0192 6.0634 6.0634 10.2866 10.2866 10.2882 10.2882 10.2929 10.2929 k = 0.0444-0.0257 0.0363 ( 3619 PWs) bands (ev): -41.3799 -41.3799 -41.2903 -41.2903 -20.3898 -20.3898 -20.1994 -20.1994 -19.8877 -19.8877 -19.8868 -19.8868 -19.6860 -19.6860 -19.6855 -19.6855 -1.9181 -1.9181 3.9857 3.9857 4.8512 4.8512 4.8519 4.8519 5.1091 5.1091 5.3799 5.3799 5.5832 5.5832 5.5895 5.5895 6.0276 6.0276 6.1059 6.1059 10.2841 10.2841 10.2859 10.2859 10.2940 10.2940 k = 0.0556-0.0321 0.0454 ( 3619 PWs) bands (ev): -41.3796 -41.3796 -41.2905 -41.2905 -20.3896 -20.3896 -20.2004 -20.2004 -19.8876 -19.8876 -19.8862 -19.8862 -19.6862 -19.6862 -19.6855 -19.6855 -1.9069 -1.9069 3.8989 3.8989 4.7947 4.7947 4.7959 4.7959 5.1535 5.1535 5.3607 5.3607 5.6548 5.6548 5.6606 5.6606 6.0386 6.0386 6.1595 6.1595 10.2811 10.2811 10.2829 10.2829 10.2957 10.2957 k = 0.0667-0.0385 0.0544 ( 3619 PWs) bands (ev): -41.3793 -41.3793 -41.2908 -41.2908 -20.3892 -20.3892 -20.2017 -20.2017 -19.8875 -19.8875 -19.8855 -19.8855 -19.6864 -19.6864 -19.6854 -19.6854 -1.8932 -1.8932 3.8047 3.8047 4.7368 4.7368 4.7385 4.7385 5.1970 5.1970 5.3377 5.3377 5.7313 5.7313 5.7366 5.7366 6.0521 6.0521 6.2233 6.2233 10.2774 10.2774 10.2792 10.2792 10.2980 10.2980 k = 0.0778-0.0449 0.0635 ( 3611 PWs) bands (ev): -41.3790 -41.3790 -41.2912 -41.2912 -20.3888 -20.3888 -20.2031 -20.2031 -19.8873 -19.8873 -19.8846 -19.8846 -19.6866 -19.6866 -19.6853 -19.6853 -1.8771 -1.8771 3.7054 3.7054 4.6788 4.6788 4.6807 4.6807 5.2382 5.2382 5.3114 5.3114 5.8112 5.8112 5.8163 5.8163 6.0679 6.0679 6.2960 6.2960 10.2733 10.2733 10.2750 10.2750 10.3012 10.3012 k = 0.0889-0.0513 0.0726 ( 3615 PWs) bands (ev): -41.3786 -41.3786 -41.2916 -41.2916 -20.3883 -20.3883 -20.2048 -20.2048 -19.8871 -19.8871 -19.8836 -19.8836 -19.6869 -19.6869 -19.6852 -19.6852 -1.8586 -1.8586 3.6027 3.6027 4.6211 4.6211 4.6233 4.6233 5.2766 5.2766 5.2821 5.2821 5.8941 5.8941 5.8988 5.8988 6.0862 6.0862 6.3762 6.3762 10.2686 10.2686 10.2702 10.2702 10.3052 10.3052 k = 0.1000-0.0577 0.0816 ( 3615 PWs) bands (ev): -41.3781 -41.3781 -41.2921 -41.2921 -20.3878 -20.3878 -20.2067 -20.2067 -19.8869 -19.8869 -19.8826 -19.8826 -19.6872 -19.6872 -19.6851 -19.6851 -1.8376 -1.8376 3.4977 3.4977 4.5642 4.5642 4.5666 4.5666 5.2502 5.2502 5.3122 5.3122 5.9793 5.9793 5.9838 5.9838 6.1069 6.1069 6.4622 6.4622 10.2635 10.2635 10.2649 10.2649 10.3104 10.3104 k = 0.1111-0.0642 0.0907 ( 3599 PWs) bands (ev): -41.3776 -41.3776 -41.2926 -41.2926 -20.3871 -20.3871 -20.2086 -20.2086 -19.8866 -19.8866 -19.8814 -19.8814 -19.6875 -19.6875 -19.6850 -19.6850 -1.8142 -1.8142 3.3912 3.3912 4.5085 4.5085 4.5111 4.5111 5.2161 5.2161 5.3452 5.3452 6.0667 6.0667 6.0709 6.0709 6.1302 6.1302 6.5526 6.5526 10.2580 10.2580 10.2593 10.2593 10.3171 10.3171 k = 0.1222-0.0706 0.0998 ( 3599 PWs) bands (ev): -41.3770 -41.3770 -41.2931 -41.2931 -20.3864 -20.3864 -20.2109 -20.2109 -19.8863 -19.8863 -19.8802 -19.8802 -19.6879 -19.6879 -19.6848 -19.6848 -1.7885 -1.7885 3.2840 3.2840 4.4540 4.4540 4.4567 4.4567 5.1802 5.1802 5.3758 5.3758 6.1551 6.1551 6.1565 6.1565 6.1599 6.1599 6.6459 6.6459 10.2522 10.2522 10.2532 10.2532 10.3254 10.3254 k = 0.1333-0.0770 0.1089 ( 3607 PWs) bands (ev): -41.3764 -41.3764 -41.2938 -41.2938 -20.3857 -20.3857 -20.2133 -20.2133 -19.8860 -19.8860 -19.8789 -19.8789 -19.6883 -19.6883 -19.6847 -19.6847 -1.7605 -1.7605 3.1765 3.1765 4.4009 4.4009 4.4037 4.4037 5.1428 5.1428 5.4042 5.4042 6.1837 6.1837 6.2467 6.2467 6.2505 6.2505 6.7407 6.7407 10.2461 10.2461 10.2469 10.2469 10.3359 10.3359 k = 0.1444-0.0834 0.1179 ( 3607 PWs) bands (ev): -41.3757 -41.3757 -41.2944 -41.2944 -20.3849 -20.3849 -20.2158 -20.2158 -19.8857 -19.8857 -19.8776 -19.8776 -19.6887 -19.6887 -19.6846 -19.6846 -1.7302 -1.7302 3.0690 3.0690 4.3493 4.3493 4.3522 4.3522 5.1044 5.1044 5.4308 5.4308 6.2140 6.2140 6.3391 6.3391 6.3427 6.3427 6.8357 6.8357 10.2398 10.2398 10.2404 10.2404 10.3489 10.3489 k = 0.1556-0.0898 0.1270 ( 3615 PWs) bands (ev): -41.3750 -41.3750 -41.2951 -41.2951 -20.3841 -20.3841 -20.2185 -20.2185 -19.8854 -19.8854 -19.8762 -19.8762 -19.6892 -19.6892 -19.6845 -19.6845 -1.6976 -1.6976 2.9618 2.9618 4.2992 4.2992 4.3021 4.3021 5.0653 5.0653 5.4554 5.4554 6.2467 6.2467 6.4329 6.4329 6.4363 6.4363 6.9301 6.9301 10.2333 10.2333 10.2336 10.2336 10.3650 10.3650 k = 0.1667-0.0962 0.1361 ( 3603 PWs) bands (ev): -41.3743 -41.3743 -41.2959 -41.2959 -20.3831 -20.3831 -20.2213 -20.2213 -19.8849 -19.8849 -19.8748 -19.8748 -19.6895 -19.6895 -19.6844 -19.6844 -1.6628 -1.6628 2.8552 2.8552 4.2507 4.2507 4.2537 4.2537 5.0260 5.0260 5.4782 5.4782 6.2818 6.2818 6.5279 6.5279 6.5313 6.5313 7.0228 7.0228 10.2267 10.2267 10.2267 10.2267 10.3847 10.3847 k = 0.1778-0.1026 0.1452 ( 3603 PWs) bands (ev): -41.3734 -41.3734 -41.2967 -41.2967 -20.3821 -20.3821 -20.2242 -20.2242 -19.8845 -19.8845 -19.8734 -19.8734 -19.6900 -19.6900 -19.6843 -19.6843 -1.6259 -1.6259 2.7493 2.7493 4.2038 4.2038 4.2068 4.2068 4.9867 4.9867 5.4990 5.4990 6.3192 6.3192 6.6241 6.6241 6.6273 6.6273 7.1130 7.1130 10.2196 10.2196 10.2200 10.2200 10.4086 10.4086 k = 0.1889-0.1091 0.1542 ( 3599 PWs) bands (ev): -41.3726 -41.3726 -41.2976 -41.2976 -20.3810 -20.3810 -20.2273 -20.2273 -19.8840 -19.8840 -19.8720 -19.8720 -19.6904 -19.6904 -19.6842 -19.6842 -1.5867 -1.5867 2.6443 2.6443 4.1585 4.1585 4.1615 4.1615 4.9478 4.9478 5.5176 5.5176 6.3590 6.3590 6.7213 6.7213 6.7243 6.7243 7.2002 7.2002 10.2123 10.2123 10.2131 10.2131 10.4373 10.4373 k = 0.2000-0.1155 0.1633 ( 3603 PWs) bands (ev): -41.3717 -41.3717 -41.2985 -41.2985 -20.3799 -20.3799 -20.2304 -20.2304 -19.8835 -19.8835 -19.8706 -19.8706 -19.6908 -19.6908 -19.6841 -19.6841 -1.5456 -1.5456 2.5402 2.5402 4.1149 4.1149 4.1179 4.1179 4.9096 4.9096 5.5338 5.5338 6.4011 6.4011 6.8194 6.8194 6.8223 6.8223 7.2839 7.2839 10.2048 10.2048 10.2061 10.2061 10.4714 10.4714 k = 0.2111-0.1219 0.1724 ( 3587 PWs) bands (ev): -41.3707 -41.3707 -41.2994 -41.2994 -20.3787 -20.3787 -20.2336 -20.2336 -19.8829 -19.8829 -19.8692 -19.8692 -19.6911 -19.6911 -19.6840 -19.6840 -1.5023 -1.5023 2.4372 2.4372 4.0729 4.0729 4.0759 4.0759 4.8723 4.8723 5.5472 5.5472 6.4456 6.4456 6.9182 6.9182 6.9210 6.9210 7.3639 7.3639 10.1971 10.1971 10.1989 10.1989 10.5113 10.5113 k = 0.2222-0.1283 0.1814 ( 3595 PWs) bands (ev): -41.3697 -41.3697 -41.3004 -41.3004 -20.3774 -20.3774 -20.2369 -20.2369 -19.8824 -19.8824 -19.8679 -19.8679 -19.6915 -19.6915 -19.6839 -19.6839 -1.4571 -1.4571 2.3353 2.3353 4.0326 4.0326 4.0355 4.0355 4.8363 4.8363 5.5577 5.5577 6.4923 6.4923 7.0176 7.0176 7.0203 7.0203 7.4401 7.4401 10.1889 10.1889 10.1913 10.1913 10.5573 10.5573 k = 0.2333-0.1347 0.1905 ( 3595 PWs) bands (ev): -41.3687 -41.3687 -41.3015 -41.3015 -20.3761 -20.3761 -20.2403 -20.2403 -19.8818 -19.8818 -19.8666 -19.8666 -19.6919 -19.6919 -19.6838 -19.6838 -1.4099 -1.4099 2.2346 2.2346 3.9939 3.9939 3.9968 3.9968 4.8018 4.8018 5.5648 5.5648 6.5413 6.5413 7.1175 7.1175 7.1201 7.1201 7.5126 7.5126 10.1802 10.1802 10.1832 10.1832 10.6058 10.6065 k = 0.2444-0.1411 0.1996 ( 3591 PWs) bands (ev): -41.3676 -41.3676 -41.3025 -41.3025 -20.3747 -20.3747 -20.2437 -20.2437 -19.8812 -19.8812 -19.8653 -19.8653 -19.6922 -19.6922 -19.6838 -19.6838 -1.3609 -1.3609 2.1351 2.1351 3.9568 3.9568 3.9597 3.9597 4.7691 4.7691 5.5682 5.5682 6.5926 6.5926 7.2178 7.2178 7.2203 7.2203 7.5818 7.5818 10.1708 10.1708 10.1745 10.1745 10.5350 10.5350 k = 0.2556-0.1475 0.2087 ( 3591 PWs) bands (ev): -41.3665 -41.3665 -41.3037 -41.3037 -20.3732 -20.3732 -20.2472 -20.2472 -19.8805 -19.8805 -19.8642 -19.8642 -19.6925 -19.6925 -19.6838 -19.6838 -1.3100 -1.3100 2.0368 2.0368 3.9215 3.9215 3.9243 3.9243 4.7383 4.7383 5.5676 5.5676 6.6461 6.6461 7.3182 7.3182 7.3206 7.3206 7.6482 7.6482 10.1603 10.1603 10.1649 10.1649 10.4519 10.4519 k = 0.2667-0.1540 0.2177 ( 3595 PWs) bands (ev): -41.3654 -41.3654 -41.3048 -41.3048 -20.3717 -20.3717 -20.2507 -20.2507 -19.8798 -19.8798 -19.8631 -19.8631 -19.6928 -19.6928 -19.6838 -19.6838 -1.2574 -1.2574 1.9397 1.9397 3.8877 3.8877 3.8905 3.8905 4.7096 4.7096 5.5627 5.5627 6.7019 6.7019 7.4186 7.4186 7.4210 7.4210 7.7124 7.7124 10.1486 10.1486 10.1540 10.1540 10.3661 10.3661 k = 0.2778-0.1604 0.2268 ( 3591 PWs) bands (ev): -41.3642 -41.3642 -41.3060 -41.3060 -20.3700 -20.3700 -20.2543 -20.2543 -19.8791 -19.8791 -19.8620 -19.8620 -19.6930 -19.6930 -19.6838 -19.6838 -1.2031 -1.2031 1.8439 1.8439 3.8557 3.8557 3.8583 3.8583 4.6833 4.6833 5.5535 5.5535 6.7599 6.7599 7.5187 7.5187 7.5211 7.5211 7.7752 7.7752 10.1353 10.1353 10.1417 10.1417 10.2779 10.2779 k = 0.2889-0.1668 0.2359 ( 3583 PWs) bands (ev): -41.3629 -41.3629 -41.3072 -41.3072 -20.3684 -20.3684 -20.2579 -20.2579 -19.8783 -19.8783 -19.8611 -19.8611 -19.6932 -19.6932 -19.6838 -19.6838 -1.1471 -1.1471 1.7492 1.7492 3.8252 3.8252 3.8278 3.8278 4.6595 4.6595 5.5397 5.5397 6.8200 6.8200 7.6186 7.6186 7.6209 7.6209 7.8374 7.8374 10.1200 10.1200 10.1274 10.1274 10.1877 10.1877 k = 0.3000-0.1732 0.2449 ( 3567 PWs) bands (ev): -41.3617 -41.3617 -41.3085 -41.3085 -20.3666 -20.3666 -20.2614 -20.2614 -19.8775 -19.8775 -19.8602 -19.8602 -19.6933 -19.6933 -19.6838 -19.6838 -1.0896 -1.0896 1.6558 1.6558 3.7965 3.7965 3.7990 3.7990 4.6384 4.6384 5.5213 5.5213 6.8824 6.8824 7.7177 7.7177 7.7201 7.7201 7.8998 7.8998 10.0937 10.0937 10.1041 10.1041 10.1108 10.1108 k = 0.3111-0.1796 0.2540 ( 3575 PWs) bands (ev): -41.3604 -41.3604 -41.3098 -41.3098 -20.3647 -20.3647 -20.2651 -20.2651 -19.8767 -19.8767 -19.8595 -19.8595 -19.6934 -19.6934 -19.6840 -19.6840 -1.0306 -1.0306 1.5636 1.5636 3.7693 3.7693 3.7717 3.7717 4.6201 4.6201 5.4985 5.4985 6.9468 6.9468 7.8160 7.8160 7.8184 7.8184 7.9629 7.9629 10.0010 10.0010 10.0825 10.0825 10.0914 10.0914 k = 0.3222-0.1860 0.2631 ( 3567 PWs) bands (ev): -41.3591 -41.3591 -41.3111 -41.3111 -20.3628 -20.3628 -20.2687 -20.2687 -19.8758 -19.8758 -19.8588 -19.8588 -19.6935 -19.6935 -19.6841 -19.6841 -0.9701 -0.9701 1.4725 1.4725 3.7437 3.7437 3.7461 3.7461 4.6046 4.6046 5.4715 5.4715 7.0133 7.0133 7.9133 7.9133 7.9158 7.9158 8.0275 8.0275 9.9056 9.9056 10.0592 10.0592 10.0691 10.0691 k = 0.3333-0.1925 0.2722 ( 3567 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2723 -20.2723 -19.8749 -19.8749 -19.8582 -19.8582 -19.6935 -19.6935 -19.6842 -19.6842 -0.9082 -0.9082 1.3826 1.3826 3.7198 3.7198 3.7220 3.7220 4.5922 4.5922 5.4404 5.4404 7.0819 7.0819 8.0093 8.0093 8.0118 8.0118 8.0941 8.0941 9.8089 9.8089 10.0329 10.0329 10.0435 10.0435 k = 0.3444-0.1989 0.2812 ( 3567 PWs) bands (ev): -41.3563 -41.3563 -41.3138 -41.3138 -20.3588 -20.3588 -20.2759 -20.2759 -19.8740 -19.8740 -19.8578 -19.8578 -19.6935 -19.6935 -19.6844 -19.6844 -0.8450 -0.8450 1.2938 1.2938 3.6974 3.6974 3.6995 3.6995 4.5829 4.5829 5.4057 5.4057 7.1525 7.1525 8.1038 8.1038 8.1064 8.1064 8.1631 8.1631 9.7110 9.7110 10.0035 10.0035 10.0147 10.0147 k = 0.3556-0.2053 0.2903 ( 3579 PWs) bands (ev): -41.3549 -41.3549 -41.3153 -41.3153 -20.3568 -20.3568 -20.2795 -20.2795 -19.8732 -19.8732 -19.8575 -19.8575 -19.6934 -19.6934 -19.6846 -19.6846 -0.7806 -0.7806 1.2060 1.2060 3.6766 3.6766 3.6786 3.6786 4.5769 4.5769 5.3678 5.3678 7.2251 7.2251 8.1964 8.1964 8.1992 8.1992 8.2348 8.2348 9.6123 9.6123 9.9709 9.9709 9.9826 9.9827 k = 0.3667-0.2117 0.2994 ( 3579 PWs) bands (ev): -41.3535 -41.3535 -41.3167 -41.3167 -20.3546 -20.3546 -20.2831 -20.2831 -19.8723 -19.8723 -19.8572 -19.8572 -19.6933 -19.6933 -19.6848 -19.6848 -0.7150 -0.7150 1.1193 1.1193 3.6574 3.6574 3.6593 3.6593 4.5741 4.5741 5.3271 5.3271 7.2996 7.2996 8.2871 8.2871 8.2900 8.2900 8.3095 8.3095 9.5129 9.5129 9.9356 9.9356 9.9476 9.9476 k = 0.3778-0.2181 0.3085 ( 3587 PWs) bands (ev): -41.3520 -41.3520 -41.3181 -41.3181 -20.3523 -20.3523 -20.2867 -20.2867 -19.8714 -19.8714 -19.8571 -19.8571 -19.6931 -19.6931 -19.6851 -19.6851 -0.6482 -0.6482 1.0336 1.0336 3.6398 3.6398 3.6415 3.6415 4.5746 4.5746 5.2842 5.2842 7.3760 7.3760 8.3754 8.3754 8.3785 8.3785 8.3872 8.3872 9.4131 9.4131 9.8977 9.8977 9.9098 9.9098 k = 0.3889-0.2245 0.3175 ( 3599 PWs) bands (ev): -41.3506 -41.3506 -41.3196 -41.3196 -20.3501 -20.3501 -20.2902 -20.2902 -19.8705 -19.8705 -19.8572 -19.8572 -19.6929 -19.6929 -19.6854 -19.6854 -0.5804 -0.5804 0.9488 0.9488 3.6238 3.6238 3.6253 3.6253 4.5785 4.5785 5.2395 5.2395 7.4543 7.4543 8.4611 8.4611 8.4644 8.4644 8.4679 8.4679 9.3130 9.3130 9.8576 9.8576 9.8696 9.8697 k = 0.4000-0.2309 0.3266 ( 3587 PWs) bands (ev): -41.3491 -41.3491 -41.3211 -41.3211 -20.3477 -20.3477 -20.2937 -20.2937 -19.8695 -19.8695 -19.8572 -19.8572 -19.6926 -19.6926 -19.6856 -19.6856 -0.5116 -0.5116 0.8650 0.8650 3.6093 3.6093 3.6107 3.6107 4.5858 4.5858 5.1935 5.1935 7.5345 7.5345 8.5439 8.5439 8.5475 8.5475 8.5517 8.5517 9.2127 9.2127 9.8157 9.8157 9.8276 9.8276 k = 0.4111-0.2374 0.3357 ( 3591 PWs) bands (ev): -41.3476 -41.3476 -41.3226 -41.3226 -20.3452 -20.3452 -20.2972 -20.2972 -19.8686 -19.8686 -19.8574 -19.8574 -19.6923 -19.6923 -19.6859 -19.6859 -0.4417 -0.4417 0.7820 0.7820 3.5963 3.5963 3.5976 3.5976 4.5964 4.5964 5.1469 5.1469 7.6164 7.6164 8.6235 8.6235 8.6273 8.6273 8.6384 8.6384 9.1125 9.1125 9.7724 9.7724 9.7840 9.7840 k = 0.4222-0.2438 0.3447 ( 3591 PWs) bands (ev): -41.3460 -41.3460 -41.3241 -41.3241 -20.3427 -20.3427 -20.3006 -20.3006 -19.8676 -19.8676 -19.8576 -19.8576 -19.6920 -19.6920 -19.6863 -19.6863 -0.3710 -0.3710 0.6999 0.6999 3.5850 3.5850 3.5861 3.5861 4.6105 4.6105 5.0999 5.0999 7.7001 7.7001 8.6995 8.6995 8.7035 8.7035 8.7279 8.7279 9.0125 9.0125 9.7284 9.7284 9.7394 9.7394 k = 0.4333-0.2502 0.3538 ( 3595 PWs) bands (ev): -41.3445 -41.3445 -41.3257 -41.3257 -20.3401 -20.3401 -20.3040 -20.3040 -19.8667 -19.8667 -19.8580 -19.8580 -19.6917 -19.6917 -19.6867 -19.6867 -0.2994 -0.2994 0.6186 0.6186 3.5751 3.5751 3.5761 3.5761 4.6279 4.6279 5.0531 5.0531 7.7854 7.7854 8.7713 8.7713 8.7754 8.7754 8.8199 8.8199 8.9129 8.9129 9.6841 9.6841 9.6945 9.6945 k = 0.4444-0.2566 0.3629 ( 3571 PWs) bands (ev): -41.3429 -41.3429 -41.3272 -41.3272 -20.3374 -20.3374 -20.3072 -20.3072 -19.8657 -19.8657 -19.8583 -19.8583 -19.6913 -19.6913 -19.6870 -19.6870 -0.2270 -0.2270 0.5381 0.5381 3.5668 3.5668 3.5676 3.5676 4.6485 4.6485 5.0070 5.0070 7.8723 7.8723 8.8127 8.8127 8.8383 8.8383 8.8433 8.8433 8.9147 8.9147 9.6406 9.6406 9.6502 9.6502 k = 0.4556-0.2630 0.3720 ( 3575 PWs) bands (ev): -41.3414 -41.3414 -41.3288 -41.3288 -20.3347 -20.3347 -20.3105 -20.3105 -19.8648 -19.8648 -19.8589 -19.8589 -19.6909 -19.6909 -19.6874 -19.6874 -0.1538 -0.1538 0.4584 0.4584 3.5600 3.5600 3.5607 3.5607 4.6724 4.6724 4.9618 4.9618 7.9608 7.9608 8.7147 8.7147 8.8992 8.8992 8.9035 8.9035 9.0114 9.0114 9.5990 9.5990 9.6075 9.6075 k = 0.4667-0.2694 0.3810 ( 3568 PWs) bands (ev): -41.3398 -41.3398 -41.3304 -41.3304 -20.3318 -20.3318 -20.3137 -20.3137 -19.8639 -19.8639 -19.8594 -19.8594 -19.6904 -19.6904 -19.6878 -19.6878 -0.0798 -0.0798 0.3793 0.3793 3.5548 3.5548 3.5553 3.5553 4.6994 4.6994 4.9180 4.9180 8.0508 8.0508 8.6168 8.6168 8.9524 8.9524 8.9563 8.9563 9.1101 9.1101 9.5613 9.5613 9.5683 9.5683 k = 0.4778-0.2758 0.3901 ( 3572 PWs) bands (ev): -41.3382 -41.3382 -41.3319 -41.3319 -20.3290 -20.3290 -20.3169 -20.3169 -19.8631 -19.8631 -19.8600 -19.8600 -19.6900 -19.6900 -19.6883 -19.6883 -0.0050 -0.0050 0.3010 0.3010 3.5511 3.5511 3.5514 3.5514 4.7294 4.7294 4.8758 4.8758 8.1421 8.1421 8.5198 8.5198 8.9951 8.9951 8.9982 8.9982 9.2104 9.2104 9.5302 9.5302 9.5352 9.5352 k = 0.4889-0.2823 0.3992 ( 3572 PWs) bands (ev): -41.3367 -41.3367 -41.3335 -41.3335 -20.3261 -20.3261 -20.3200 -20.3200 -19.8622 -19.8622 -19.8607 -19.8607 -19.6896 -19.6896 -19.6887 -19.6887 0.0704 0.0704 0.2235 0.2235 3.5489 3.5489 3.5491 3.5491 4.7622 4.7622 4.8356 4.8356 8.2348 8.2348 8.4237 8.4237 9.0238 9.0238 9.0256 9.0256 9.3122 9.3122 9.5096 9.5096 9.5100 9.5100 k = 0.5000-0.2887 0.4082 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3231 -20.3231 -20.3231 -20.3231 -19.8614 -19.8614 -19.8614 -19.8614 -19.6891 -19.6891 -19.6891 -19.6891 0.1466 0.1466 0.1466 0.1466 3.5482 3.5482 3.5482 3.5482 4.7977 4.7977 4.7977 4.7977 8.3287 8.3287 8.3287 8.3287 9.0346 9.0346 9.0346 9.0346 9.4149 9.4149 9.4149 9.4149 9.5033 9.5033 k = 0.5000-0.2887 0.4082 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3231 -20.3231 -20.3231 -20.3231 -19.8614 -19.8614 -19.8614 -19.8614 -19.6891 -19.6891 -19.6891 -19.6891 0.1466 0.1466 0.1466 0.1466 3.5482 3.5482 3.5482 3.5482 4.7977 4.7977 4.7977 4.7977 8.3287 8.3287 8.3287 8.3287 9.0346 9.0346 9.0346 9.0346 9.4149 9.4149 9.4149 9.4149 9.5033 9.5033 k = 0.5000-0.2761 0.4171 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3239 -20.3239 -20.3222 -20.3222 -19.8647 -19.8647 -19.8582 -19.8582 -19.6916 -19.6916 -19.6868 -19.6868 0.1468 0.1468 0.1471 0.1471 3.5429 3.5429 3.5437 3.5437 4.8045 4.8045 4.8050 4.8050 8.3239 8.3239 8.3240 8.3240 9.0359 9.0359 9.0361 9.0361 9.3673 9.3673 9.3732 9.3732 9.5492 9.5492 k = 0.5000-0.2636 0.4260 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3247 -20.3247 -20.3214 -20.3214 -19.8678 -19.8678 -19.8548 -19.8548 -19.6941 -19.6941 -19.6845 -19.6845 0.1477 0.1477 0.1482 0.1482 3.5281 3.5281 3.5298 3.5298 4.8251 4.8251 4.8260 4.8260 8.3098 8.3098 8.3099 8.3099 9.0393 9.0393 9.0395 9.0395 9.3012 9.3012 9.3072 9.3072 9.6285 9.6287 k = 0.5000-0.2510 0.4349 ( 3578 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3256 -20.3256 -20.3206 -20.3206 -19.8708 -19.8708 -19.8513 -19.8513 -19.6968 -19.6968 -19.6823 -19.6823 0.1493 0.1493 0.1501 0.1501 3.5049 3.5049 3.5073 3.5073 4.8584 4.8584 4.8598 4.8598 8.2862 8.2862 8.2864 8.2864 9.0426 9.0426 9.0429 9.0429 9.2411 9.2411 9.2463 9.2463 9.7134 9.7137 k = 0.5000-0.2385 0.4437 ( 3574 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3264 -20.3264 -20.3197 -20.3197 -19.8737 -19.8737 -19.8478 -19.8478 -19.6995 -19.6995 -19.6802 -19.6802 0.1516 0.1516 0.1526 0.1526 3.4747 3.4747 3.4778 3.4778 4.9032 4.9032 4.9049 4.9049 8.2533 8.2533 8.2536 8.2536 9.0402 9.0402 9.0423 9.0423 9.1953 9.1953 9.1984 9.1984 9.8003 9.8004 k = 0.5000-0.2259 0.4526 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3272 -20.3272 -20.3189 -20.3189 -19.8765 -19.8765 -19.8443 -19.8443 -19.7022 -19.7022 -19.6782 -19.6782 0.1544 0.1544 0.1557 0.1557 3.4390 3.4390 3.4427 3.4427 4.9579 4.9579 4.9598 4.9598 8.2114 8.2114 8.2117 8.2117 9.0243 9.0243 9.0293 9.0293 9.1721 9.1721 9.1724 9.1724 9.8878 9.8880 k = 0.5000-0.2134 0.4615 ( 3568 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3279 -20.3279 -20.3181 -20.3181 -19.8792 -19.8792 -19.8406 -19.8406 -19.7051 -19.7051 -19.6763 -19.6763 0.1579 0.1579 0.1593 0.1593 3.3994 3.3994 3.4037 3.4037 5.0209 5.0209 5.0230 5.0230 8.1606 8.1606 8.1609 8.1609 8.9947 8.9947 9.0019 9.0019 9.1698 9.1698 9.1728 9.1728 9.9752 9.9777 k = 0.5000-0.2008 0.4704 ( 3576 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3287 -20.3287 -20.3173 -20.3173 -19.8818 -19.8818 -19.8370 -19.8370 -19.7080 -19.7080 -19.6745 -19.6745 0.1618 0.1618 0.1635 0.1635 3.3573 3.3573 3.3620 3.3620 5.0909 5.0909 5.0931 5.0931 8.1016 8.1016 8.1020 8.1020 8.9600 8.9600 8.9683 8.9683 9.1829 9.1829 9.1874 9.1874 10.0601 10.0602 k = 0.5000-0.1883 0.4792 ( 3576 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3294 -20.3294 -20.3166 -20.3166 -19.8843 -19.8843 -19.8333 -19.8333 -19.7110 -19.7110 -19.6728 -19.6728 0.1662 0.1662 0.1681 0.1681 3.3137 3.3137 3.3188 3.3188 5.1667 5.1667 5.1690 5.1690 8.0352 8.0352 8.0355 8.0355 8.9266 8.9266 8.9352 8.9352 9.2042 9.2042 9.2096 9.2096 10.1423 10.1448 k = 0.5000-0.1757 0.4881 ( 3580 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3301 -20.3301 -20.3158 -20.3158 -19.8866 -19.8866 -19.8297 -19.8297 -19.7140 -19.7140 -19.6712 -19.6712 0.1709 0.1709 0.1731 0.1731 3.2698 3.2698 3.2752 3.2752 5.2475 5.2475 5.2498 5.2498 7.9623 7.9623 7.9625 7.9625 8.8965 8.8965 8.9053 8.9053 9.2300 9.2300 9.2362 9.2362 10.2202 10.2239 k = 0.5000-0.1632 0.4970 ( 3580 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3307 -20.3307 -20.3151 -20.3151 -19.8888 -19.8888 -19.8260 -19.8260 -19.7171 -19.7171 -19.6698 -19.6698 0.1760 0.1760 0.1784 0.1784 3.2262 3.2262 3.2320 3.2320 5.3323 5.3323 5.3346 5.3346 7.8836 7.8836 7.8837 7.8837 8.8705 8.8705 8.8793 8.8793 9.2588 9.2588 9.2657 9.2657 10.2920 10.2942 k = 0.5000-0.1506 0.5059 ( 3580 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3313 -20.3313 -20.3145 -20.3145 -19.8909 -19.8909 -19.8223 -19.8223 -19.7202 -19.7202 -19.6684 -19.6684 0.1812 0.1812 0.1838 0.1838 3.1838 3.1838 3.1898 3.1898 5.4206 5.4206 5.4229 5.4229 7.8002 7.8002 7.8002 7.8002 8.8483 8.8483 8.8571 8.8571 9.2896 9.2896 9.2971 9.2971 10.3556 10.3567 k = 0.5000-0.1381 0.5147 ( 3584 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3319 -20.3319 -20.3138 -20.3138 -19.8928 -19.8928 -19.8186 -19.8186 -19.7233 -19.7233 -19.6671 -19.6671 0.1865 0.1865 0.1894 0.1894 3.1430 3.1430 3.1493 3.1493 5.5118 5.5118 5.5140 5.5140 7.7126 7.7126 7.7128 7.7128 8.8297 8.8297 8.8384 8.8384 9.3217 9.3217 9.3297 9.3297 10.4084 10.4097 k = 0.5000-0.1255 0.5236 ( 3592 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3324 -20.3324 -20.3133 -20.3133 -19.8945 -19.8945 -19.8149 -19.8149 -19.7265 -19.7265 -19.6660 -19.6660 0.1919 0.1919 0.1949 0.1949 3.1043 3.1043 3.1109 3.1109 5.6055 5.6055 5.6076 5.6076 7.6217 7.6217 7.6220 7.6220 8.8142 8.8142 8.8228 8.8228 9.3544 9.3544 9.3631 9.3631 10.4494 10.4520 k = 0.5000-0.1130 0.5325 ( 3596 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3329 -20.3329 -20.3127 -20.3127 -19.8961 -19.8961 -19.8113 -19.8113 -19.7296 -19.7296 -19.6649 -19.6649 0.1971 0.1971 0.2003 0.2003 3.0682 3.0682 3.0750 3.0750 5.7012 5.7012 5.7032 5.7032 7.5282 7.5282 7.5285 7.5285 8.8014 8.8014 8.8100 8.8100 9.3873 9.3873 9.3967 9.3967 10.4782 10.4789 k = 0.5000-0.1004 0.5414 ( 3594 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3334 -20.3334 -20.3122 -20.3122 -19.8976 -19.8976 -19.8078 -19.8078 -19.7327 -19.7327 -19.6640 -19.6640 0.2022 0.2022 0.2056 0.2056 3.0350 3.0350 3.0420 3.0420 5.7986 5.7986 5.8006 5.8006 7.4324 7.4324 7.4329 7.4329 8.7909 8.7909 8.7994 8.7994 9.4198 9.4198 9.4299 9.4299 10.4947 10.4948 k = 0.5000-0.0879 0.5502 ( 3598 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3338 -20.3338 -20.3118 -20.3118 -19.8989 -19.8989 -19.8044 -19.8044 -19.7357 -19.7357 -19.6631 -19.6631 0.2070 0.2070 0.2105 0.2105 3.0050 3.0050 3.0122 3.0122 5.8974 5.8974 5.8993 5.8993 7.3348 7.3348 7.3354 7.3354 8.7824 8.7824 8.7909 8.7909 9.4513 9.4513 9.4620 9.4620 10.5007 10.5014 k = 0.5000-0.0753 0.5591 ( 3606 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3341 -20.3341 -20.3115 -20.3115 -19.9000 -19.9000 -19.8012 -19.8012 -19.7386 -19.7386 -19.6624 -19.6624 0.2113 0.2113 0.2150 0.2150 2.9786 2.9786 2.9859 2.9859 5.9974 5.9974 5.9992 5.9992 7.2358 7.2358 7.2365 7.2365 8.7755 8.7755 8.7840 8.7840 9.4810 9.4810 9.4925 9.4925 10.4991 10.5009 k = 0.5000-0.0628 0.5680 ( 3606 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3344 -20.3344 -20.3111 -20.3111 -19.9009 -19.9009 -19.7981 -19.7981 -19.7414 -19.7414 -19.6618 -19.6618 0.2151 0.2151 0.2189 0.2189 2.9558 2.9558 2.9632 2.9632 6.0982 6.0982 6.0999 6.0999 7.1358 7.1358 7.1366 7.1366 8.7702 8.7702 8.7786 8.7786 9.5083 9.5083 9.5204 9.5204 10.4929 10.4949 k = 0.5000-0.0502 0.5769 ( 3602 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3346 -20.3346 -20.3108 -20.3108 -19.9017 -19.9017 -19.7954 -19.7954 -19.7439 -19.7439 -19.6613 -19.6613 0.2184 0.2184 0.2223 0.2223 2.9369 2.9369 2.9444 2.9444 6.1996 6.1996 6.2011 6.2011 7.0351 7.0351 7.0361 7.0361 8.7661 8.7661 8.7745 8.7745 9.5323 9.5323 9.5451 9.5451 10.4846 10.4877 k = 0.5000-0.0377 0.5857 ( 3594 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3348 -20.3348 -20.3106 -20.3106 -19.9023 -19.9023 -19.7930 -19.7930 -19.7460 -19.7460 -19.6609 -19.6609 0.2211 0.2211 0.2251 0.2251 2.9220 2.9220 2.9297 2.9297 6.3009 6.3009 6.3023 6.3023 6.9342 6.9342 6.9354 6.9354 8.7631 8.7631 8.7715 8.7715 9.5522 9.5522 9.5656 9.5656 10.4761 10.4769 k = 0.5000-0.0251 0.5946 ( 3600 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3350 -20.3350 -20.3105 -20.3105 -19.9028 -19.9028 -19.7912 -19.7912 -19.7477 -19.7477 -19.6606 -19.6606 0.2230 0.2230 0.2270 0.2270 2.9113 2.9113 2.9190 2.9190 6.4011 6.4011 6.4024 6.4024 6.8343 6.8343 6.8356 6.8356 8.7610 8.7610 8.7694 8.7694 9.5671 9.5671 9.5809 9.5809 10.4684 10.4693 k = 0.5000-0.0126 0.6035 ( 3608 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3351 -20.3351 -20.3104 -20.3104 -19.9030 -19.9030 -19.7900 -19.7900 -19.7489 -19.7489 -19.6605 -19.6605 0.2242 0.2242 0.2282 0.2282 2.9049 2.9049 2.9126 2.9126 6.4964 6.4964 6.4973 6.4973 6.7392 6.7392 6.7408 6.7408 8.7598 8.7598 8.7681 8.7681 9.5763 9.5763 9.5905 9.5905 10.4638 10.4651 k = 0.5000-0.0000 0.6124 ( 3636 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3352 -20.3352 -20.3104 -20.3104 -19.9032 -19.9032 -19.7897 -19.7897 -19.7493 -19.7493 -19.6605 -19.6605 0.2245 0.2245 0.2286 0.2286 2.9027 2.9027 2.9104 2.9104 6.5544 6.5544 6.5549 6.5549 6.6811 6.6811 6.6832 6.6832 8.7593 8.7593 8.7677 8.7677 9.5794 9.5794 9.5937 9.5937 10.4618 10.4624 k = 0.5000-0.0000 0.6124 ( 3636 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3352 -20.3352 -20.3104 -20.3104 -19.9032 -19.9032 -19.7897 -19.7897 -19.7493 -19.7493 -19.6605 -19.6605 0.2245 0.2245 0.2286 0.2286 2.9027 2.9027 2.9104 2.9104 6.5544 6.5544 6.5549 6.5549 6.6811 6.6811 6.6832 6.6832 8.7593 8.7593 8.7677 8.7677 9.5794 9.5794 9.5937 9.5937 10.4619 10.4631 k = 0.4922 0.0135 0.6124 ( 3605 PWs) bands (ev): -41.3358 -41.3358 -41.3343 -41.3343 -20.3352 -20.3352 -20.3103 -20.3103 -19.9031 -19.9031 -19.7898 -19.7898 -19.7491 -19.7491 -19.6604 -19.6604 0.1951 0.1951 0.2576 0.2576 2.8774 2.8774 2.9392 2.9392 6.4735 6.4735 6.5632 6.5632 6.7166 6.7166 6.7210 6.7210 8.7166 8.7166 8.8100 8.8100 9.5754 9.5754 9.5929 9.5929 10.4435 10.4435 k = 0.4844 0.0271 0.6124 ( 3603 PWs) bands (ev): -41.3366 -41.3366 -41.3336 -41.3336 -20.3353 -20.3353 -20.3101 -20.3101 -19.9030 -19.9030 -19.7903 -19.7903 -19.7486 -19.7486 -19.6605 -19.6605 0.1657 0.1657 0.2857 0.2857 2.8501 2.8501 2.9767 2.9767 6.3544 6.3544 6.5571 6.5571 6.7669 6.7669 6.7976 6.7976 8.6700 8.6700 8.8547 8.8547 9.5671 9.5671 9.5870 9.5870 10.4179 10.4179 k = 0.4766 0.0406 0.6124 ( 3609 PWs) bands (ev): -41.3373 -41.3373 -41.3329 -41.3329 -20.3356 -20.3356 -20.3098 -20.3098 -19.9029 -19.9029 -19.7911 -19.7911 -19.7478 -19.7478 -19.6606 -19.6606 0.1382 0.1382 0.3108 0.3108 2.8242 2.8242 3.0193 3.0193 6.2311 6.2311 6.5455 6.5455 6.8229 6.8229 6.8792 6.8792 8.6236 8.6236 8.8977 8.8977 9.5569 9.5569 9.5748 9.5748 10.3895 10.3895 k = 0.4688 0.0541 0.6124 ( 3611 PWs) bands (ev): -41.3379 -41.3379 -41.3323 -41.3323 -20.3359 -20.3359 -20.3094 -20.3094 -19.9027 -19.9027 -19.7921 -19.7921 -19.7469 -19.7469 -19.6608 -19.6608 0.1128 0.1128 0.3333 0.3333 2.7999 2.7999 3.0665 3.0665 6.1080 6.1080 6.5324 6.5324 6.8807 6.8808 6.9616 6.9616 8.5772 8.5772 8.9388 8.9388 9.5446 9.5446 9.5580 9.5580 10.3595 10.3595 k = 0.4609 0.0677 0.6124 ( 3600 PWs) bands (ev): -41.3385 -41.3385 -41.3317 -41.3317 -20.3363 -20.3363 -20.3089 -20.3089 -19.9025 -19.9025 -19.7933 -19.7933 -19.7458 -19.7458 -19.6610 -19.6610 0.0893 0.0893 0.3531 0.3531 2.7773 2.7773 3.1179 3.1179 5.9866 5.9866 6.5192 6.5192 6.9387 6.9387 7.0437 7.0437 8.5308 8.5308 8.9777 8.9777 9.5254 9.5254 9.5427 9.5427 10.3287 10.3287 k = 0.4531 0.0812 0.6124 ( 3601 PWs) bands (ev): -41.3390 -41.3390 -41.3311 -41.3311 -20.3366 -20.3366 -20.3085 -20.3085 -19.9022 -19.9022 -19.7945 -19.7945 -19.7446 -19.7446 -19.6612 -19.6612 0.0679 0.0679 0.3705 0.3705 2.7565 2.7565 3.1726 3.1726 5.8678 5.8678 6.5063 6.5063 6.9957 6.9957 7.1248 7.1248 8.4844 8.4844 9.0140 9.0140 9.4980 9.4980 9.5318 9.5318 10.2975 10.2975 k = 0.4453 0.0947 0.6124 ( 3597 PWs) bands (ev): -41.3395 -41.3395 -41.3306 -41.3306 -20.3370 -20.3370 -20.3080 -20.3080 -19.9020 -19.9020 -19.7957 -19.7957 -19.7435 -19.7435 -19.6614 -19.6614 0.0485 0.0485 0.3855 0.3855 2.7374 2.7374 3.2300 3.2300 5.7527 5.7527 6.4943 6.4943 7.0509 7.0509 7.2046 7.2046 8.4378 8.4378 9.0473 9.0473 9.4667 9.4667 9.5229 9.5229 10.2666 10.2666 k = 0.4375 0.1083 0.6124 ( 3587 PWs) bands (ev): -41.3400 -41.3400 -41.3302 -41.3302 -20.3373 -20.3373 -20.3075 -20.3075 -19.9017 -19.9017 -19.7970 -19.7970 -19.7423 -19.7423 -19.6616 -19.6616 0.0311 0.0311 0.3983 0.3983 2.7202 2.7202 3.2891 3.2891 5.6422 5.6422 6.4832 6.4832 7.1036 7.1036 7.2825 7.2825 8.3911 8.3911 9.0771 9.0771 9.4337 9.4337 9.5152 9.5152 10.2366 10.2366 k = 0.4297 0.1218 0.6124 ( 3585 PWs) bands (ev): -41.3404 -41.3404 -41.3298 -41.3298 -20.3376 -20.3376 -20.3071 -20.3071 -19.9014 -19.9014 -19.7981 -19.7981 -19.7412 -19.7412 -19.6619 -19.6619 0.0158 0.0158 0.4092 0.4092 2.7049 2.7049 3.3487 3.3487 5.5373 5.5373 6.4733 6.4733 7.1530 7.1530 7.3582 7.3582 8.3441 8.3441 9.1029 9.1029 9.4010 9.4010 9.5087 9.5087 10.2081 10.2081 k = 0.4219 0.1353 0.6124 ( 3582 PWs) bands (ev): -41.3407 -41.3407 -41.3294 -41.3294 -20.3379 -20.3379 -20.3067 -20.3067 -19.9012 -19.9012 -19.7992 -19.7992 -19.7402 -19.7402 -19.6621 -19.6621 0.0024 0.0024 0.4182 0.4182 2.6916 2.6916 3.4073 3.4073 5.4396 5.4396 6.4645 6.4645 7.1983 7.1983 7.4311 7.4311 8.2972 8.2972 9.1240 9.1240 9.3704 9.3704 9.5034 9.5034 10.1816 10.1816 k = 0.4141 0.1488 0.6124 ( 3578 PWs) bands (ev): -41.3410 -41.3410 -41.3291 -41.3291 -20.3382 -20.3382 -20.3064 -20.3064 -19.9009 -19.9009 -19.8002 -19.8002 -19.7393 -19.7393 -19.6623 -19.6623 -0.0088 -0.0088 0.4256 0.4256 2.6803 2.6803 3.4633 3.4633 5.3507 5.3507 6.4570 6.4570 7.2386 7.2386 7.5004 7.5004 8.2507 8.2507 9.1399 9.1399 9.3437 9.3437 9.4992 9.4992 10.1578 10.1578 k = 0.4062 0.1624 0.6124 ( 3576 PWs) bands (ev): -41.3413 -41.3413 -41.3289 -41.3289 -20.3384 -20.3384 -20.3061 -20.3061 -19.9007 -19.9007 -19.8010 -19.8010 -19.7385 -19.7385 -19.6624 -19.6624 -0.0180 -0.0180 0.4314 0.4314 2.6710 2.6710 3.5145 3.5145 5.2727 5.2727 6.4508 6.4508 7.2731 7.2731 7.5648 7.5648 8.2054 8.2054 9.1500 9.1500 9.3228 9.3228 9.4960 9.4960 10.1373 10.1373 k = 0.3984 0.1759 0.6124 ( 3577 PWs) bands (ev): -41.3415 -41.3415 -41.3287 -41.3287 -20.3386 -20.3386 -20.3059 -20.3059 -19.9005 -19.9005 -19.8016 -19.8016 -19.7379 -19.7379 -19.6626 -19.6626 -0.0252 -0.0252 0.4359 0.4359 2.6637 2.6637 3.5584 3.5584 5.2080 5.2080 6.4460 6.4460 7.3011 7.3011 7.6225 7.6225 8.1629 8.1629 9.1547 9.1547 9.3083 9.3083 9.4937 9.4937 10.1207 10.1207 k = 0.3906 0.1894 0.6124 ( 3581 PWs) bands (ev): -41.3416 -41.3416 -41.3286 -41.3286 -20.3387 -20.3387 -20.3057 -20.3057 -19.9004 -19.9004 -19.8021 -19.8021 -19.7375 -19.7375 -19.6627 -19.6627 -0.0304 -0.0304 0.4389 0.4389 2.6585 2.6585 3.5924 3.5924 5.1591 5.1591 6.4425 6.4425 7.3216 7.3216 7.6705 7.6705 8.1260 8.1260 9.1554 9.1554 9.2997 9.2997 9.4922 9.4922 10.1084 10.1084 k = 0.3828 0.2030 0.6124 ( 3576 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8024 -19.8024 -19.7372 -19.7372 -19.6628 -19.6628 -0.0334 -0.0334 0.4408 0.4408 2.6553 2.6553 3.6141 3.6141 5.1286 5.1286 6.4404 6.4404 7.3342 7.3342 7.7036 7.7036 8.0997 8.0997 9.1545 9.1545 9.2956 9.2956 9.4914 9.4914 10.1009 10.1009 k = 0.3750 0.2165 0.6124 ( 3580 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8025 -19.8025 -19.7371 -19.7371 -19.6628 -19.6628 -0.0345 -0.0345 0.4414 0.4414 2.6543 2.6543 3.6215 3.6215 5.1182 5.1182 6.4397 6.4397 7.3385 7.3385 7.7156 7.7156 8.0898 8.0898 9.1539 9.1539 9.2945 9.2945 9.4911 9.4911 10.0984 10.0984 k = 0.3750 0.2165 0.6124 ( 3580 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8025 -19.8025 -19.7371 -19.7371 -19.6628 -19.6628 -0.0345 -0.0345 0.4414 0.4414 2.6543 2.6543 3.6215 3.6215 5.1182 5.1182 6.4397 6.4397 7.3385 7.3385 7.7156 7.7156 8.0898 8.0898 9.1539 9.1539 9.2945 9.2945 9.4911 9.4911 10.0984 10.0984 k = 0.3672 0.2120 0.5996 ( 3572 PWs) bands (ev): -41.3425 -41.3425 -41.3277 -41.3277 -20.3400 -20.3400 -20.3040 -20.3040 -19.9017 -19.9017 -19.7989 -19.7989 -19.7403 -19.7403 -19.6620 -19.6620 -0.0657 -0.0657 0.4793 0.4793 2.6195 2.6195 3.6317 3.6317 5.1547 5.1547 6.5714 6.5714 7.2635 7.2635 7.6197 7.6197 8.0679 8.0679 9.1510 9.1510 9.2626 9.2626 9.5372 9.5372 10.0265 10.0265 k = 0.3594 0.2075 0.5869 ( 3590 PWs) bands (ev): -41.3434 -41.3434 -41.3268 -41.3268 -20.3414 -20.3414 -20.3024 -20.3024 -19.9029 -19.9029 -19.7955 -19.7955 -19.7435 -19.7435 -19.6614 -19.6614 -0.1002 -0.1002 0.5195 0.5195 2.5911 2.5911 3.6427 3.6427 5.1920 5.1920 6.7011 6.7011 7.1894 7.1894 7.5260 7.5260 8.0454 8.0454 9.1205 9.1205 9.2551 9.2551 9.5842 9.5842 9.9514 9.9514 k = 0.3516 0.2030 0.5741 ( 3590 PWs) bands (ev): -41.3442 -41.3442 -41.3259 -41.3259 -20.3427 -20.3427 -20.3007 -20.3007 -19.9040 -19.9040 -19.7923 -19.7923 -19.7465 -19.7465 -19.6609 -19.6609 -0.1377 -0.1377 0.5619 0.5619 2.5691 2.5691 3.6545 3.6545 5.2300 5.2300 6.8280 6.8280 7.1164 7.1164 7.4347 7.4347 8.0223 8.0223 9.0693 9.0693 9.2674 9.2675 9.6318 9.6318 9.8743 9.8743 k = 0.3438 0.1985 0.5613 ( 3594 PWs) bands (ev): -41.3451 -41.3451 -41.3250 -41.3250 -20.3440 -20.3440 -20.2989 -20.2989 -19.9050 -19.9050 -19.7894 -19.7894 -19.7492 -19.7492 -19.6605 -19.6605 -0.1783 -0.1783 0.6067 0.6067 2.5536 2.5536 3.6672 3.6672 5.2682 5.2682 6.9508 6.9508 7.0445 7.0445 7.3459 7.3459 7.9985 7.9985 9.0107 9.0107 9.2885 9.2885 9.6800 9.6800 9.7963 9.7963 k = 0.3359 0.1940 0.5486 ( 3578 PWs) bands (ev): -41.3461 -41.3461 -41.3241 -41.3241 -20.3454 -20.3454 -20.2969 -20.2969 -19.9058 -19.9058 -19.7868 -19.7868 -19.7516 -19.7516 -19.6601 -19.6601 -0.2217 -0.2217 0.6537 0.6537 2.5445 2.5445 3.6807 3.6807 5.3064 5.3064 6.9739 6.9739 7.0679 7.0679 7.2598 7.2598 7.9741 7.9741 8.9517 8.9517 9.3141 9.3141 9.7162 9.7162 9.7303 9.7303 k = 0.3281 0.1894 0.5358 ( 3579 PWs) bands (ev): -41.3470 -41.3470 -41.3231 -41.3231 -20.3468 -20.3468 -20.2950 -20.2950 -19.9065 -19.9065 -19.7849 -19.7849 -19.7535 -19.7535 -19.6599 -19.6599 -0.2679 -0.2679 0.7030 0.7030 2.5416 2.5416 3.6952 3.6952 5.3441 5.3441 6.9044 6.9044 7.1761 7.1761 7.1774 7.1774 7.9487 7.9487 8.8964 8.8964 9.3425 9.3425 9.6398 9.6398 9.7773 9.7773 k = 0.3203 0.1849 0.5231 ( 3587 PWs) bands (ev): -41.3480 -41.3480 -41.3221 -41.3221 -20.3482 -20.3482 -20.2929 -20.2929 -19.9071 -19.9071 -19.7839 -19.7839 -19.7546 -19.7546 -19.6598 -19.6598 -0.3166 -0.3166 0.7545 0.7545 2.5449 2.5449 3.7106 3.7106 5.3809 5.3809 6.8363 6.8363 7.0960 7.0960 7.2758 7.2758 7.9224 7.9224 8.8487 8.8487 9.3733 9.3733 9.5628 9.5628 9.8254 9.8254 k = 0.3125 0.1804 0.5103 ( 3595 PWs) bands (ev): -41.3490 -41.3490 -41.3211 -41.3211 -20.3497 -20.3497 -20.2908 -20.2908 -19.9076 -19.9076 -19.7838 -19.7838 -19.7548 -19.7548 -19.6598 -19.6598 -0.3675 -0.3675 0.8083 0.8083 2.5541 2.5541 3.7269 3.7269 5.4163 5.4163 6.7696 6.7696 7.0186 7.0186 7.3609 7.3609 7.8949 7.8949 8.8123 8.8123 9.4062 9.4062 9.4870 9.4870 9.8728 9.8728 k = 0.3047 0.1759 0.4976 ( 3591 PWs) bands (ev): -41.3501 -41.3501 -41.3201 -41.3201 -20.3511 -20.3511 -20.2886 -20.2886 -19.9079 -19.9079 -19.7848 -19.7848 -19.7540 -19.7540 -19.6599 -19.6599 -0.4203 -0.4203 0.8643 0.8643 2.5689 2.5689 3.7442 3.7442 5.4499 5.4499 6.7042 6.7042 6.9447 6.9447 7.4288 7.4288 7.8663 7.8663 8.7912 8.7912 9.4118 9.4118 9.4424 9.4424 9.9192 9.9192 k = 0.2969 0.1714 0.4848 ( 3583 PWs) bands (ev): -41.3511 -41.3511 -41.3190 -41.3190 -20.3526 -20.3526 -20.2863 -20.2863 -19.9082 -19.9082 -19.7865 -19.7865 -19.7524 -19.7524 -19.6600 -19.6600 -0.4748 -0.4748 0.9226 0.9226 2.5892 2.5892 3.7626 3.7626 5.4811 5.4811 6.6403 6.6403 6.8742 6.8742 7.4762 7.4762 7.8363 7.8363 8.7889 8.7889 9.3396 9.3396 9.4793 9.4793 9.9638 9.9638 k = 0.2891 0.1669 0.4720 ( 3583 PWs) bands (ev): -41.3522 -41.3522 -41.3180 -41.3180 -20.3541 -20.3541 -20.2839 -20.2839 -19.9083 -19.9083 -19.7890 -19.7890 -19.7502 -19.7502 -19.6602 -19.6602 -0.5307 -0.5307 0.9830 0.9830 2.6147 2.6147 3.7820 3.7820 5.5094 5.5094 6.5779 6.5779 6.8075 6.8075 7.5012 7.5012 7.8048 7.8048 8.8072 8.8072 9.2686 9.2686 9.5189 9.5189 10.0060 10.0060 k = 0.2812 0.1624 0.4593 ( 3581 PWs) bands (ev): -41.3533 -41.3533 -41.3169 -41.3169 -20.3556 -20.3556 -20.2814 -20.2814 -19.9083 -19.9083 -19.7918 -19.7918 -19.7478 -19.7478 -19.6606 -19.6606 -0.5877 -0.5877 1.0457 1.0457 2.6450 2.6450 3.8024 3.8024 5.5341 5.5341 6.5169 6.5169 6.7448 6.7448 7.5041 7.5041 7.7718 7.7718 8.8459 8.8459 9.1994 9.1994 9.5609 9.5609 10.0451 10.0451 k = 0.2734 0.1579 0.4465 ( 3575 PWs) bands (ev): -41.3544 -41.3544 -41.3158 -41.3158 -20.3571 -20.3571 -20.2789 -20.2789 -19.9082 -19.9082 -19.7950 -19.7950 -19.7450 -19.7450 -19.6609 -19.6609 -0.6455 -0.6455 1.1107 1.1107 2.6800 2.6800 3.8239 3.8239 5.5547 5.5547 6.4575 6.4575 6.6862 6.6862 7.4873 7.4873 7.7371 7.7371 8.9022 8.9022 9.1317 9.1317 9.6055 9.6055 10.0805 10.0805 k = 0.2656 0.1534 0.4338 ( 3587 PWs) bands (ev): -41.3555 -41.3555 -41.3147 -41.3147 -20.3586 -20.3586 -20.2763 -20.2763 -19.9081 -19.9081 -19.7983 -19.7983 -19.7422 -19.7422 -19.6615 -19.6615 -0.7038 -0.7038 1.1777 1.1777 2.7193 2.7193 3.8464 3.8464 5.5706 5.5706 6.3996 6.3996 6.6319 6.6319 7.4542 7.4542 7.7006 7.7006 8.9724 8.9724 9.0653 9.0653 9.6530 9.6530 10.1114 10.1114 k = 0.2578 0.1488 0.4210 ( 3583 PWs) bands (ev): -41.3566 -41.3566 -41.3136 -41.3136 -20.3601 -20.3601 -20.2735 -20.2735 -19.9078 -19.9078 -19.8018 -19.8018 -19.7393 -19.7393 -19.6620 -19.6620 -0.7625 -0.7625 1.2470 1.2470 2.7627 2.7627 3.8701 3.8701 5.5816 5.5816 6.3433 6.3433 6.5822 6.5822 7.4087 7.4087 7.6623 7.6623 8.9990 8.9990 9.0528 9.0528 9.7038 9.7038 10.1373 10.1373 k = 0.2500 0.1443 0.4082 ( 3583 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3616 -20.3616 -20.2708 -20.2708 -19.9075 -19.9075 -19.8054 -19.8054 -19.7364 -19.7364 -19.6626 -19.6626 -0.8212 -0.8212 1.3185 1.3185 2.8100 2.8100 3.8949 3.8949 5.5871 5.5871 6.2885 6.2885 6.5368 6.5368 7.3540 7.3540 7.6220 7.6220 8.9336 8.9336 9.1381 9.1381 9.7583 9.7583 10.1582 10.1582 k = 0.2422 0.1398 0.3955 ( 3595 PWs) bands (ev): -41.3588 -41.3588 -41.3114 -41.3114 -20.3632 -20.3632 -20.2680 -20.2680 -19.9071 -19.9071 -19.8090 -19.8090 -19.7336 -19.7336 -19.6633 -19.6633 -0.8798 -0.8798 1.3921 1.3921 2.8609 2.8609 3.9209 3.9209 5.5871 5.5871 6.2354 6.2354 6.4958 6.4958 7.2928 7.2928 7.5798 7.5798 8.8672 8.8672 9.2258 9.2258 9.8172 9.8172 10.1741 10.1741 k = 0.2344 0.1353 0.3827 ( 3593 PWs) bands (ev): -41.3599 -41.3599 -41.3102 -41.3102 -20.3647 -20.3647 -20.2651 -20.2651 -19.9066 -19.9066 -19.8127 -19.8127 -19.7307 -19.7307 -19.6640 -19.6640 -0.9379 -0.9379 1.4679 1.4679 2.9152 2.9152 3.9480 3.9480 5.5817 5.5817 6.1838 6.1838 6.4589 6.4589 7.2271 7.2271 7.5357 7.5357 8.7991 8.7991 9.3129 9.3129 9.8810 9.8810 10.1857 10.1857 k = 0.2266 0.1308 0.3700 ( 3599 PWs) bands (ev): -41.3610 -41.3610 -41.3091 -41.3091 -20.3661 -20.3661 -20.2622 -20.2622 -19.9060 -19.9060 -19.8163 -19.8163 -19.7279 -19.7279 -19.6648 -19.6648 -0.9956 -0.9956 1.5458 1.5458 2.9727 2.9727 3.9763 3.9763 5.5711 5.5711 6.1338 6.1338 6.4256 6.4256 7.1584 7.1584 7.4895 7.4895 8.7281 8.7281 9.3973 9.3973 9.9503 9.9503 10.1936 10.1936 k = 0.2188 0.1263 0.3572 ( 3591 PWs) bands (ev): -41.3621 -41.3621 -41.3080 -41.3080 -20.3676 -20.3676 -20.2592 -20.2592 -19.9054 -19.9054 -19.8200 -19.8200 -19.7251 -19.7251 -19.6656 -19.6656 -1.0524 -1.0524 1.6258 1.6258 3.0331 3.0331 4.0058 4.0058 5.5557 5.5557 6.0855 6.0855 6.3955 6.3955 7.0878 7.0878 7.4414 7.4414 8.6531 8.6531 9.4773 9.4773 10.0253 10.0253 10.1986 10.1986 k = 0.2109 0.1218 0.3445 ( 3587 PWs) bands (ev): -41.3632 -41.3632 -41.3070 -41.3070 -20.3690 -20.3690 -20.2562 -20.2562 -19.9048 -19.9048 -19.8237 -19.8237 -19.7225 -19.7225 -19.6665 -19.6665 -1.1084 -1.1084 1.7079 1.7079 3.0963 3.0963 4.0365 4.0365 5.5363 5.5363 6.0388 6.0388 6.3679 6.3679 7.0162 7.0162 7.3914 7.3914 8.5730 8.5730 9.5519 9.5519 10.1057 10.1057 10.2017 10.2017 k = 0.2031 0.1173 0.3317 ( 3585 PWs) bands (ev): -41.3643 -41.3643 -41.3059 -41.3059 -20.3704 -20.3704 -20.2532 -20.2532 -19.9040 -19.9040 -19.8273 -19.8273 -19.7198 -19.7198 -19.6674 -19.6674 -1.1633 -1.1633 1.7921 1.7921 3.1621 3.1621 4.0682 4.0682 5.5134 5.5134 5.9938 5.9938 6.3421 6.3421 6.9441 6.9441 7.3395 7.3395 8.4870 8.4870 9.6207 9.6207 10.1908 10.1908 10.2035 10.2035 k = 0.1953 0.1128 0.3189 ( 3599 PWs) bands (ev): -41.3653 -41.3653 -41.3048 -41.3048 -20.3718 -20.3718 -20.2502 -20.2502 -19.9033 -19.9033 -19.8310 -19.8310 -19.7173 -19.7173 -19.6684 -19.6684 -1.2171 -1.2171 1.8783 1.8783 3.2302 3.2302 4.1012 4.1012 5.4877 5.4877 5.9504 5.9504 6.3176 6.3176 6.8720 6.8720 7.2858 7.2858 8.3942 8.3942 9.6841 9.6841 10.2043 10.2043 10.2798 10.2798 k = 0.1875 0.1083 0.3062 ( 3601 PWs) bands (ev): -41.3664 -41.3664 -41.3038 -41.3038 -20.3732 -20.3732 -20.2471 -20.2471 -19.9025 -19.9025 -19.8346 -19.8346 -19.7149 -19.7149 -19.6693 -19.6693 -1.2695 -1.2695 1.9665 1.9665 3.3004 3.3004 4.1353 4.1353 5.4599 5.4599 5.9087 5.9087 6.2939 6.2939 6.8003 6.8003 7.2305 7.2305 8.2946 8.2946 9.7423 9.7423 10.2050 10.2050 10.3379 10.3379 k = 0.1797 0.1037 0.2934 ( 3597 PWs) bands (ev): -41.3674 -41.3674 -41.3028 -41.3028 -20.3745 -20.3745 -20.2440 -20.2440 -19.9017 -19.9017 -19.8382 -19.8382 -19.7125 -19.7125 -19.6703 -19.6703 -1.3206 -1.3206 2.0568 2.0568 3.3727 3.3727 4.1706 4.1706 5.4307 5.4307 5.8686 5.8686 6.2707 6.2707 6.7291 6.7291 7.1737 7.1737 8.1881 8.1881 9.7961 9.7961 10.2057 10.2057 10.3079 10.3079 k = 0.1719 0.0992 0.2807 ( 3599 PWs) bands (ev): -41.3684 -41.3684 -41.3018 -41.3018 -20.3757 -20.3757 -20.2410 -20.2410 -19.9008 -19.9008 -19.8417 -19.8417 -19.7103 -19.7103 -19.6713 -19.6713 -1.3700 -1.3700 2.1489 2.1489 3.4467 3.4467 4.2070 4.2070 5.4007 5.4007 5.8302 5.8302 6.2476 6.2476 6.6587 6.6587 7.1154 7.1154 8.0751 8.0751 9.8459 9.8459 10.2068 10.2068 10.2858 10.2858 k = 0.1641 0.0947 0.2679 ( 3603 PWs) bands (ev): -41.3693 -41.3693 -41.3008 -41.3008 -20.3770 -20.3770 -20.2379 -20.2379 -19.9000 -19.9000 -19.8451 -19.8451 -19.7081 -19.7081 -19.6723 -19.6723 -1.4179 -1.4179 2.2430 2.2430 3.5224 3.5224 4.2444 4.2444 5.3702 5.3702 5.7935 5.7935 6.2244 6.2244 6.5892 6.5892 7.0558 7.0558 7.9563 7.9563 9.8922 9.8922 10.2084 10.2084 10.2717 10.2717 k = 0.1562 0.0902 0.2552 ( 3607 PWs) bands (ev): -41.3703 -41.3703 -41.2999 -41.2999 -20.3782 -20.3782 -20.2349 -20.2349 -19.8991 -19.8991 -19.8485 -19.8485 -19.7061 -19.7061 -19.6733 -19.6733 -1.4640 -1.4640 2.3389 2.3389 3.5995 3.5995 4.2830 4.2830 5.3397 5.3397 5.7585 5.7585 6.2010 6.2010 6.5206 6.5206 6.9952 6.9952 7.8323 7.8323 9.9352 9.9352 10.2105 10.2105 10.2643 10.2643 k = 0.1484 0.0857 0.2424 ( 3607 PWs) bands (ev): -41.3712 -41.3712 -41.2990 -41.2990 -20.3793 -20.3793 -20.2319 -20.2319 -19.8982 -19.8982 -19.8518 -19.8518 -19.7041 -19.7041 -19.6743 -19.6743 -1.5083 -1.5083 2.4366 2.4366 3.6778 3.6778 4.3225 4.3225 5.3095 5.3095 5.7251 5.7251 6.1775 6.1775 6.4531 6.4531 6.9337 6.9337 7.7042 7.7042 9.9755 9.9755 10.2133 10.2133 10.2621 10.2621 k = 0.1406 0.0812 0.2296 ( 3613 PWs) bands (ev): -41.3720 -41.3720 -41.2981 -41.2981 -20.3804 -20.3804 -20.2289 -20.2289 -19.8974 -19.8974 -19.8551 -19.8551 -19.7022 -19.7022 -19.6753 -19.6753 -1.5508 -1.5508 2.5360 2.5360 3.7571 3.7571 4.3629 4.3629 5.2799 5.2799 5.6935 5.6935 6.1537 6.1537 6.3866 6.3866 6.8714 6.8714 7.5726 7.5726 10.0130 10.0130 10.2167 10.2167 10.2637 10.2637 k = 0.1328 0.0767 0.2169 ( 3601 PWs) bands (ev): -41.3729 -41.3729 -41.2973 -41.2973 -20.3814 -20.3814 -20.2260 -20.2260 -19.8965 -19.8965 -19.8582 -19.8582 -19.7004 -19.7004 -19.6762 -19.6762 -1.5913 -1.5913 2.6371 2.6371 3.8373 3.8373 4.4043 4.4043 5.2512 5.2512 5.6635 5.6635 6.1298 6.1298 6.3212 6.3212 6.8086 6.8086 7.4386 7.4386 10.0479 10.0479 10.2207 10.2207 10.2678 10.2678 k = 0.1250 0.0722 0.2041 ( 3601 PWs) bands (ev): -41.3737 -41.3737 -41.2965 -41.2965 -20.3824 -20.3824 -20.2232 -20.2232 -19.8956 -19.8956 -19.8612 -19.8612 -19.6987 -19.6987 -19.6771 -19.6771 -1.6298 -1.6298 2.7397 2.7397 3.9181 3.9181 4.4464 4.4464 5.2234 5.2234 5.6352 5.6352 6.1057 6.1057 6.2567 6.2567 6.7455 6.7455 7.3029 7.3029 10.0803 10.0803 10.2251 10.2251 10.2731 10.2731 k = 0.1172 0.0677 0.1914 ( 3597 PWs) bands (ev): -41.3745 -41.3745 -41.2957 -41.2957 -20.3833 -20.3833 -20.2204 -20.2204 -19.8948 -19.8948 -19.8641 -19.8641 -19.6971 -19.6971 -19.6780 -19.6780 -1.6662 -1.6662 2.8438 2.8438 3.9994 3.9994 4.4892 4.4892 5.1969 5.1969 5.6087 5.6087 6.0815 6.0815 6.1932 6.1932 6.6823 6.6823 7.1664 7.1664 10.1102 10.1102 10.2301 10.2301 10.2789 10.2789 k = 0.1094 0.0631 0.1786 ( 3605 PWs) bands (ev): -41.3752 -41.3752 -41.2950 -41.2950 -20.3842 -20.3842 -20.2178 -20.2178 -19.8940 -19.8940 -19.8670 -19.8670 -19.6957 -19.6957 -19.6789 -19.6789 -1.7005 -1.7005 2.9490 2.9490 4.0807 4.0807 4.5326 4.5326 5.1717 5.1717 5.5838 5.5838 6.0570 6.0570 6.1306 6.1306 6.6192 6.6192 7.0299 7.0299 10.1377 10.1377 10.2354 10.2354 10.2844 10.2844 k = 0.1016 0.0586 0.1659 ( 3603 PWs) bands (ev): -41.3759 -41.3759 -41.2943 -41.2943 -20.3850 -20.3850 -20.2153 -20.2153 -19.8932 -19.8932 -19.8696 -19.8696 -19.6943 -19.6943 -19.6798 -19.6798 -1.7327 -1.7327 3.0554 3.0554 4.1621 4.1621 4.5763 4.5763 5.1479 5.1479 5.5607 5.5607 6.0322 6.0322 6.0689 6.0689 6.5566 6.5566 6.8945 6.8945 10.1627 10.1628 10.2409 10.2409 10.2891 10.2891 k = 0.0938 0.0541 0.1531 ( 3603 PWs) bands (ev): -41.3765 -41.3765 -41.2937 -41.2937 -20.3858 -20.3858 -20.2129 -20.2129 -19.8925 -19.8925 -19.8721 -19.8721 -19.6930 -19.6930 -19.6806 -19.6806 -1.7626 -1.7626 3.1627 3.1627 4.2433 4.2433 4.6203 4.6203 5.1256 5.1256 5.5392 5.5392 6.0065 6.0065 6.0080 6.0080 6.4948 6.4948 6.7610 6.7610 10.1854 10.1854 10.2466 10.2466 10.2929 10.2929 k = 0.0859 0.0496 0.1403 ( 3603 PWs) bands (ev): -41.3771 -41.3771 -41.2931 -41.2931 -20.3865 -20.3865 -20.2106 -20.2106 -19.8918 -19.8918 -19.8745 -19.8745 -19.6918 -19.6918 -19.6814 -19.6814 -1.7903 -1.7903 3.2705 3.2705 4.3239 4.3239 4.6642 4.6642 5.1050 5.1050 5.5195 5.5195 5.9475 5.9475 5.9797 5.9797 6.4340 6.4340 6.6311 6.6311 10.2057 10.2057 10.2523 10.2523 10.2955 10.2955 k = 0.0781 0.0451 0.1276 ( 3599 PWs) bands (ev): -41.3776 -41.3776 -41.2925 -41.2925 -20.3872 -20.3872 -20.2084 -20.2084 -19.8912 -19.8912 -19.8767 -19.8767 -19.6907 -19.6907 -19.6820 -19.6820 -1.8157 -1.8157 3.3786 3.3786 4.4037 4.4037 4.7078 4.7078 5.0860 5.0860 5.5014 5.5014 5.8878 5.8878 5.9502 5.9502 6.3747 6.3747 6.5066 6.5066 10.2236 10.2236 10.2579 10.2579 10.2971 10.2971 k = 0.0703 0.0406 0.1148 ( 3599 PWs) bands (ev): -41.3781 -41.3781 -41.2920 -41.2920 -20.3878 -20.3878 -20.2064 -20.2064 -19.8905 -19.8905 -19.8787 -19.8787 -19.6898 -19.6898 -19.6827 -19.6827 -1.8387 -1.8387 3.4862 3.4862 4.4824 4.4824 4.7507 4.7507 5.0687 5.0687 5.4851 5.4851 5.8286 5.8286 5.9161 5.9161 6.3174 6.3174 6.3904 6.3904 10.2391 10.2391 10.2634 10.2634 10.2978 10.2978 k = 0.0625 0.0361 0.1021 ( 3599 PWs) bands (ev): -41.3786 -41.3786 -41.2916 -41.2916 -20.3883 -20.3883 -20.2046 -20.2046 -19.8900 -19.8900 -19.8806 -19.8806 -19.6889 -19.6889 -19.6833 -19.6833 -1.8595 -1.8595 3.5929 3.5929 4.5596 4.5596 4.7924 4.7924 5.0531 5.0531 5.4705 5.4705 5.7700 5.7700 5.8745 5.8745 6.2624 6.2624 6.2865 6.2865 10.2523 10.2523 10.2686 10.2686 10.2977 10.2977 k = 0.0547 0.0316 0.0893 ( 3597 PWs) bands (ev): -41.3790 -41.3790 -41.2912 -41.2912 -20.3888 -20.3888 -20.2030 -20.2030 -19.8895 -19.8895 -19.8823 -19.8823 -19.6881 -19.6881 -19.6838 -19.6838 -1.8778 -1.8778 3.6977 3.6977 4.6349 4.6349 4.8325 4.8325 5.0394 5.0394 5.4576 5.4576 5.7121 5.7121 5.8217 5.8217 6.1996 6.1996 6.2106 6.2106 10.2632 10.2632 10.2735 10.2735 10.2970 10.2970 k = 0.0469 0.0271 0.0765 ( 3607 PWs) bands (ev): -41.3793 -41.3793 -41.2908 -41.2908 -20.3892 -20.3892 -20.2016 -20.2016 -19.8891 -19.8891 -19.8837 -19.8837 -19.6875 -19.6875 -19.6843 -19.6843 -1.8937 -1.8937 3.7992 3.7992 4.7077 4.7077 4.8702 4.8702 5.0274 5.0274 5.4464 5.4464 5.6551 5.6551 5.7562 5.7562 6.1329 6.1329 6.1626 6.1626 10.2719 10.2719 10.2779 10.2779 10.2960 10.2960 k = 0.0391 0.0226 0.0638 ( 3611 PWs) bands (ev): -41.3796 -41.3796 -41.2905 -41.2905 -20.3895 -20.3895 -20.2004 -20.2004 -19.8887 -19.8887 -19.8850 -19.8850 -19.6869 -19.6869 -19.6847 -19.6847 -1.9073 -1.9073 3.8956 3.8956 4.7772 4.7772 4.9047 4.9047 5.0173 5.0174 5.4369 5.4369 5.5995 5.5995 5.6808 5.6808 6.0856 6.0856 6.1192 6.1192 10.2785 10.2785 10.2818 10.2818 10.2949 10.2949 k = 0.0312 0.0180 0.0510 ( 3611 PWs) bands (ev): -41.3799 -41.3799 -41.2903 -41.2903 -20.3898 -20.3898 -20.1994 -20.1994 -19.8884 -19.8884 -19.8860 -19.8860 -19.6865 -19.6865 -19.6851 -19.6851 -1.9183 -1.9183 3.9842 3.9842 4.8423 4.8423 4.9351 4.9351 5.0092 5.0092 5.4290 5.4290 5.5463 5.5463 5.6027 5.6027 6.0533 6.0533 6.0815 6.0815 10.2831 10.2831 10.2852 10.2852 10.2938 10.2938 k = 0.0234 0.0135 0.0383 ( 3619 PWs) bands (ev): -41.3801 -41.3801 -41.2901 -41.2901 -20.3901 -20.3901 -20.1986 -20.1986 -19.8882 -19.8882 -19.8869 -19.8869 -19.6861 -19.6861 -19.6853 -19.6853 -1.9270 -1.9270 4.0615 4.0615 4.9008 4.9008 4.9602 4.9602 5.0030 5.0030 5.4228 5.4228 5.4972 5.4972 5.5298 5.5298 6.0319 6.0319 6.0505 6.0505 10.2862 10.2862 10.2878 10.2878 10.2929 10.2929 k = 0.0156 0.0090 0.0255 ( 3625 PWs) bands (ev): -41.3802 -41.3802 -41.2899 -41.2899 -20.3902 -20.3902 -20.1980 -20.1980 -19.8881 -19.8881 -19.8874 -19.8874 -19.6859 -19.6859 -19.6856 -19.6856 -1.9332 -1.9332 4.1228 4.1228 4.9494 4.9494 4.9792 4.9792 4.9986 4.9986 5.4179 5.4179 5.4553 5.4553 5.4704 5.4704 6.0182 6.0182 6.0274 6.0274 10.2882 10.2882 10.2893 10.2893 10.2926 10.2926 k = 0.0078 0.0045 0.0128 ( 3635 PWs) bands (ev): -41.3803 -41.3803 -41.2899 -41.2899 -20.3903 -20.3903 -20.1977 -20.1977 -19.8880 -19.8880 -19.8878 -19.8878 -19.6858 -19.6858 -19.6857 -19.6857 -1.9369 -1.9369 4.1627 4.1627 4.9828 4.9828 4.9911 4.9911 4.9961 4.9961 5.4126 5.4126 5.4267 5.4267 5.4325 5.4325 6.0106 6.0106 6.0130 6.0130 10.2893 10.2893 10.2897 10.2897 10.2928 10.2928 k = 0.0000 0.0000 0.0000 ( 3647 PWs) bands (ev): -41.3803 -41.3803 -41.2898 -41.2898 -20.3904 -20.3904 -20.1976 -20.1976 -19.8879 -19.8879 -19.8879 -19.8879 -19.6858 -19.6858 -19.6858 -19.6858 -1.9381 -1.9381 4.1766 4.1766 4.9934 4.9934 4.9959 4.9959 4.9959 4.9959 5.4064 5.4064 5.4198 5.4198 5.4198 5.4198 6.0081 6.0081 6.0081 6.0081 10.2897 10.2897 10.2897 10.2897 10.2929 10.2929 k = 0.0000 0.0000 0.0000 ( 3647 PWs) bands (ev): -41.3803 -41.3803 -41.2898 -41.2898 -20.3904 -20.3904 -20.1976 -20.1976 -19.8879 -19.8879 -19.8879 -19.8879 -19.6858 -19.6858 -19.6858 -19.6858 -1.9381 -1.9381 4.1766 4.1766 4.9934 4.9934 4.9959 4.9959 4.9959 4.9959 5.4064 5.4064 5.4198 5.4198 5.4198 5.4198 6.0081 6.0081 6.0081 6.0081 10.2897 10.2897 10.2897 10.2897 10.2929 10.2929 k = 0.0128 0.0074 0.0052 ( 3641 PWs) bands (ev): -41.3803 -41.3803 -41.2899 -41.2899 -20.3903 -20.3903 -20.1977 -20.1977 -19.8880 -19.8880 -19.8878 -19.8878 -19.6858 -19.6858 -19.6857 -19.6857 -1.9369 -1.9369 4.1625 4.1625 4.9872 4.9872 4.9891 4.9891 4.9934 4.9934 5.4140 5.4140 5.4251 5.4251 5.4331 5.4331 6.0118 6.0118 6.0118 6.0118 10.2893 10.2893 10.2897 10.2897 10.2928 10.2928 k = 0.0256 0.0148 0.0105 ( 3617 PWs) bands (ev): -41.3802 -41.3802 -41.2899 -41.2899 -20.3902 -20.3902 -20.1980 -20.1980 -19.8881 -19.8881 -19.8874 -19.8874 -19.6859 -19.6859 -19.6855 -19.6855 -1.9331 -1.9331 4.1221 4.1221 4.9680 4.9680 4.9699 4.9699 4.9877 4.9877 5.4303 5.4303 5.4396 5.4396 5.4759 5.4759 6.0229 6.0229 6.0230 6.0230 10.2882 10.2882 10.2893 10.2893 10.2925 10.2925 k = 0.0385 0.0222 0.0157 ( 3617 PWs) bands (ev): -41.3801 -41.3801 -41.2901 -41.2901 -20.3900 -20.3900 -20.1986 -20.1986 -19.8883 -19.8883 -19.8868 -19.8868 -19.6862 -19.6862 -19.6853 -19.6853 -1.9269 -1.9269 4.0599 4.0599 4.9387 4.9387 4.9408 4.9408 4.9796 4.9796 5.4521 5.4521 5.4608 5.4608 5.5434 5.5434 6.0413 6.0413 6.0415 6.0415 10.2864 10.2864 10.2879 10.2879 10.2924 10.2924 k = 0.0513 0.0296 0.0209 ( 3623 PWs) bands (ev): -41.3799 -41.3799 -41.2903 -41.2903 -20.3899 -20.3899 -20.1994 -20.1994 -19.8887 -19.8887 -19.8859 -19.8859 -19.6866 -19.6866 -19.6850 -19.6850 -1.9181 -1.9181 3.9809 3.9809 4.9023 4.9023 4.9046 4.9046 4.9694 4.9694 5.4776 5.4776 5.4859 5.4859 5.6291 5.6291 6.0669 6.0669 6.0673 6.0673 10.2839 10.2839 10.2855 10.2855 10.2919 10.2919 k = 0.0641 0.0370 0.0262 ( 3623 PWs) bands (ev): -41.3796 -41.3796 -41.2905 -41.2905 -20.3896 -20.3896 -20.2004 -20.2004 -19.8891 -19.8891 -19.8847 -19.8847 -19.6871 -19.6871 -19.6846 -19.6846 -1.9070 -1.9070 3.8898 3.8898 4.8614 4.8614 4.8638 4.8638 4.9576 4.9576 5.5047 5.5047 5.5127 5.5127 5.7280 5.7280 6.0996 6.0996 6.1002 6.1002 10.2806 10.2806 10.2822 10.2822 10.2905 10.2905 k = 0.0769 0.0444 0.0314 ( 3605 PWs) bands (ev): -41.3793 -41.3793 -41.2908 -41.2908 -20.3892 -20.3892 -20.2016 -20.2016 -19.8895 -19.8895 -19.8834 -19.8834 -19.6877 -19.6877 -19.6841 -19.6841 -1.8933 -1.8933 3.7902 3.7902 4.8177 4.8177 4.8201 4.8201 4.9444 4.9444 5.5319 5.5319 5.5397 5.5397 5.8367 5.8367 6.1390 6.1390 6.1399 6.1399 10.2767 10.2767 10.2783 10.2783 10.2875 10.2875 k = 0.0897 0.0518 0.0366 ( 3605 PWs) bands (ev): -41.3790 -41.3790 -41.2912 -41.2912 -20.3888 -20.3888 -20.2030 -20.2030 -19.8900 -19.8900 -19.8818 -19.8818 -19.6884 -19.6884 -19.6836 -19.6836 -1.8772 -1.8772 3.6846 3.6846 4.7722 4.7722 4.7746 4.7746 4.9297 4.9297 5.5585 5.5585 5.5661 5.5661 5.9524 5.9524 6.1845 6.1845 6.1857 6.1857 10.2722 10.2722 10.2736 10.2736 10.2824 10.2824 k = 0.1026 0.0592 0.0419 ( 3605 PWs) bands (ev): -41.3786 -41.3786 -41.2916 -41.2916 -20.3883 -20.3883 -20.2047 -20.2047 -19.8907 -19.8907 -19.8799 -19.8799 -19.6893 -19.6893 -19.6829 -19.6829 -1.8587 -1.8587 3.5748 3.5748 4.7258 4.7258 4.7282 4.7282 4.9139 4.9139 5.5843 5.5843 5.5917 5.5917 6.0736 6.0736 6.2358 6.2358 6.2373 6.2373 10.2671 10.2671 10.2683 10.2683 10.2748 10.2748 k = 0.1154 0.0666 0.0471 ( 3605 PWs) bands (ev): -41.3781 -41.3781 -41.2920 -41.2920 -20.3878 -20.3878 -20.2065 -20.2065 -19.8913 -19.8913 -19.8779 -19.8779 -19.6903 -19.6903 -19.6823 -19.6823 -1.8378 -1.8378 3.4621 3.4621 4.6792 4.6792 4.6816 4.6816 4.8970 4.8970 5.6090 5.6090 5.6164 5.6164 6.1991 6.1991 6.2920 6.2920 6.2938 6.2938 10.2614 10.2614 10.2623 10.2623 10.2645 10.2645 k = 0.1282 0.0740 0.0523 ( 3605 PWs) bands (ev): -41.3776 -41.3776 -41.2925 -41.2925 -20.3872 -20.3872 -20.2085 -20.2085 -19.8921 -19.8921 -19.8757 -19.8757 -19.6913 -19.6913 -19.6815 -19.6815 -1.8145 -1.8145 3.3475 3.3475 4.6328 4.6328 4.6352 4.6352 4.8794 4.8794 5.6329 5.6329 5.6402 5.6402 6.3279 6.3279 6.3525 6.3525 6.3546 6.3546 10.2506 10.2506 10.2552 10.2552 10.2563 10.2563 k = 0.1410 0.0814 0.0576 ( 3605 PWs) bands (ev): -41.3771 -41.3771 -41.2931 -41.2931 -20.3865 -20.3865 -20.2106 -20.2106 -19.8929 -19.8929 -19.8733 -19.8733 -19.6925 -19.6925 -19.6808 -19.6808 -1.7889 -1.7889 3.2316 3.2316 4.5869 4.5869 4.5892 4.5892 4.8612 4.8612 5.6562 5.6562 5.6635 5.6635 6.4166 6.4166 6.4190 6.4190 6.4594 6.4594 10.2337 10.2337 10.2486 10.2486 10.2494 10.2494 k = 0.1538 0.0888 0.0628 ( 3605 PWs) bands (ev): -41.3765 -41.3765 -41.2937 -41.2937 -20.3858 -20.3858 -20.2129 -20.2129 -19.8937 -19.8937 -19.8707 -19.8707 -19.6938 -19.6938 -19.6799 -19.6799 -1.7610 -1.7610 3.1150 3.1150 4.5417 4.5417 4.5440 4.5440 4.8426 4.8426 5.6790 5.6790 5.6863 5.6863 6.4839 6.4839 6.4866 6.4866 6.5931 6.5931 10.2133 10.2133 10.2416 10.2416 10.2422 10.2422 k = 0.1667 0.0962 0.0680 ( 3608 PWs) bands (ev): -41.3759 -41.3759 -41.2943 -41.2943 -20.3850 -20.3850 -20.2153 -20.2153 -19.8946 -19.8946 -19.8680 -19.8680 -19.6952 -19.6952 -19.6791 -19.6791 -1.7308 -1.7308 2.9981 2.9981 4.4975 4.4975 4.4998 4.4998 4.8238 4.8238 5.7015 5.7015 5.7088 5.7088 6.5537 6.5537 6.5566 6.5566 6.7285 6.7285 10.1892 10.1892 10.2342 10.2342 10.2346 10.2346 k = 0.1795 0.1036 0.0733 ( 3605 PWs) bands (ev): -41.3752 -41.3752 -41.2950 -41.2950 -20.3842 -20.3842 -20.2178 -20.2178 -19.8956 -19.8956 -19.8651 -19.8651 -19.6967 -19.6967 -19.6782 -19.6782 -1.6984 -1.6984 2.8813 2.8813 4.4544 4.4544 4.4566 4.4566 4.8051 4.8051 5.7238 5.7238 5.7312 5.7312 6.6256 6.6256 6.6288 6.6288 6.8654 6.8654 10.1615 10.1615 10.2265 10.2265 10.2268 10.2268 k = 0.1923 0.1110 0.0785 ( 3602 PWs) bands (ev): -41.3745 -41.3745 -41.2957 -41.2957 -20.3833 -20.3833 -20.2204 -20.2204 -19.8965 -19.8965 -19.8621 -19.8621 -19.6983 -19.6983 -19.6772 -19.6772 -1.6638 -1.6638 2.7648 2.7648 4.4125 4.4125 4.4146 4.4146 4.7867 4.7867 5.7461 5.7461 5.7536 5.7536 6.6991 6.6991 6.7026 6.7026 7.0034 7.0034 10.1303 10.1303 10.2186 10.2186 10.2187 10.2187 k = 0.2051 0.1184 0.0837 ( 3608 PWs) bands (ev): -41.3737 -41.3737 -41.2964 -41.2964 -20.3824 -20.3824 -20.2231 -20.2231 -19.8975 -19.8975 -19.8590 -19.8590 -19.7000 -19.7000 -19.6763 -19.6763 -1.6271 -1.6271 2.6487 2.6487 4.3719 4.3719 4.3740 4.3740 4.7687 4.7687 5.7683 5.7683 5.7759 5.7759 6.7739 6.7739 6.7776 6.7776 7.1420 7.1420 10.0957 10.0957 10.2105 10.2105 10.2105 10.2105 k = 0.2179 0.1258 0.0890 ( 3602 PWs) bands (ev): -41.3729 -41.3729 -41.2972 -41.2972 -20.3815 -20.3815 -20.2259 -20.2259 -19.8985 -19.8985 -19.8558 -19.8558 -19.7018 -19.7018 -19.6753 -19.6753 -1.5883 -1.5883 2.5335 2.5335 4.3327 4.3327 4.3348 4.3348 4.7512 4.7512 5.7905 5.7905 5.7983 5.7983 6.8496 6.8496 6.8535 6.8535 7.2810 7.2810 10.0583 10.0583 10.2022 10.2022 10.2023 10.2023 k = 0.2308 0.1332 0.0942 ( 3602 PWs) bands (ev): -41.3721 -41.3721 -41.2980 -41.2980 -20.3804 -20.3804 -20.2287 -20.2287 -19.8995 -19.8995 -19.8524 -19.8524 -19.7037 -19.7037 -19.6743 -19.6743 -1.5476 -1.5476 2.4191 2.4191 4.2950 4.2950 4.2970 4.2970 4.7344 4.7344 5.8128 5.8128 5.8208 5.8208 6.9259 6.9259 6.9300 6.9300 7.4199 7.4199 10.0189 10.0189 10.1937 10.1937 10.1939 10.1939 k = 0.2436 0.1406 0.0994 ( 3602 PWs) bands (ev): -41.3713 -41.3713 -41.2989 -41.2989 -20.3794 -20.3794 -20.2315 -20.2315 -19.9005 -19.9005 -19.8491 -19.8491 -19.7056 -19.7056 -19.6734 -19.6734 -1.5049 -1.5049 2.3059 2.3059 4.2588 4.2588 4.2607 4.2607 4.7184 4.7184 5.8350 5.8350 5.8432 5.8432 7.0024 7.0024 7.0067 7.0067 7.5581 7.5581 9.9782 9.9782 10.1851 10.1851 10.1854 10.1854 k = 0.2564 0.1480 0.1047 ( 3602 PWs) bands (ev): -41.3704 -41.3704 -41.2997 -41.2997 -20.3783 -20.3783 -20.2344 -20.2344 -19.9015 -19.9015 -19.8456 -19.8456 -19.7077 -19.7077 -19.6724 -19.6724 -1.4605 -1.4605 2.1939 2.1939 4.2242 4.2242 4.2260 4.2260 4.7033 4.7033 5.8572 5.8572 5.8656 5.8656 7.0789 7.0789 7.0833 7.0833 7.6949 7.6949 9.9376 9.9376 10.1764 10.1764 10.1767 10.1767 k = 0.2692 0.1554 0.1099 ( 3602 PWs) bands (ev): -41.3695 -41.3695 -41.3006 -41.3006 -20.3772 -20.3772 -20.2373 -20.2373 -19.9025 -19.9025 -19.8420 -19.8420 -19.7098 -19.7098 -19.6715 -19.6715 -1.4143 -1.4143 2.0834 2.0834 4.1911 4.1911 4.1930 4.1930 4.6892 4.6892 5.8793 5.8793 5.8879 5.8879 7.1550 7.1550 7.1596 7.1596 7.8294 7.8294 9.8985 9.8985 10.1675 10.1675 10.1679 10.1679 k = 0.2821 0.1628 0.1151 ( 3596 PWs) bands (ev): -41.3686 -41.3686 -41.3015 -41.3015 -20.3760 -20.3760 -20.2401 -20.2401 -19.9035 -19.9035 -19.8385 -19.8385 -19.7120 -19.7120 -19.6705 -19.6705 -1.3665 -1.3665 1.9746 1.9746 4.1598 4.1598 4.1616 4.1616 4.6760 4.6760 5.9011 5.9011 5.9100 5.9100 7.2303 7.2303 7.2351 7.2351 7.9605 7.9605 9.8627 9.8627 10.1583 10.1583 10.1587 10.1587 k = 0.2949 0.1702 0.1204 ( 3597 PWs) bands (ev): -41.3677 -41.3677 -41.3024 -41.3024 -20.3748 -20.3748 -20.2430 -20.2430 -19.9044 -19.9044 -19.8349 -19.8349 -19.7143 -19.7143 -19.6696 -19.6696 -1.3173 -1.3173 1.8676 1.8676 4.1301 4.1301 4.1318 4.1318 4.6639 4.6639 5.9227 5.9227 5.9318 5.9318 7.3047 7.3047 7.3095 7.3095 8.0866 8.0866 9.8325 9.8325 10.1488 10.1488 10.1492 10.1492 k = 0.3077 0.1776 0.1256 ( 3609 PWs) bands (ev): -41.3668 -41.3668 -41.3033 -41.3033 -20.3736 -20.3736 -20.2459 -20.2459 -19.9054 -19.9054 -19.8312 -19.8312 -19.7167 -19.7167 -19.6687 -19.6687 -1.2668 -1.2668 1.7626 1.7626 4.1020 4.1020 4.1037 4.1037 4.6529 4.6529 5.9438 5.9438 5.9532 5.9532 7.3776 7.3776 7.3826 7.3826 8.2059 8.2059 9.8104 9.8104 10.1387 10.1387 10.1391 10.1391 k = 0.3205 0.1850 0.1308 ( 3612 PWs) bands (ev): -41.3659 -41.3659 -41.3043 -41.3043 -20.3724 -20.3724 -20.2486 -20.2486 -19.9062 -19.9062 -19.8276 -19.8276 -19.7192 -19.7192 -19.6679 -19.6679 -1.2152 -1.2152 1.6599 1.6599 4.0757 4.0757 4.0774 4.0774 4.6428 4.6428 5.9645 5.9645 5.9741 5.9741 7.4488 7.4488 7.4539 7.4539 8.3157 8.3157 9.7995 9.7995 10.1280 10.1280 10.1284 10.1284 k = 0.3333 0.1925 0.1361 ( 3615 PWs) bands (ev): -41.3650 -41.3650 -41.3052 -41.3052 -20.3712 -20.3712 -20.2513 -20.2513 -19.9071 -19.9071 -19.8240 -19.8240 -19.7217 -19.7217 -19.6671 -19.6671 -1.1627 -1.1627 1.5598 1.5598 4.0512 4.0512 4.0529 4.0529 4.6339 4.6339 5.9844 5.9844 5.9944 5.9944 7.5179 7.5179 7.5231 7.5231 8.4137 8.4137 9.8030 9.8030 10.1165 10.1165 10.1168 10.1168 k = 0.3462 0.1999 0.1413 ( 3612 PWs) bands (ev): -41.3641 -41.3641 -41.3060 -41.3060 -20.3700 -20.3700 -20.2539 -20.2539 -19.9079 -19.9079 -19.8204 -19.8204 -19.7242 -19.7242 -19.6663 -19.6663 -1.1095 -1.1095 1.4625 1.4625 4.0285 4.0285 4.0301 4.0301 4.6259 4.6259 6.0037 6.0037 6.0139 6.0139 7.5846 7.5846 7.5899 7.5899 8.4970 8.4970 9.8241 9.8241 10.1039 10.1039 10.1043 10.1043 k = 0.3590 0.2073 0.1466 ( 3597 PWs) bands (ev): -41.3633 -41.3633 -41.3069 -41.3069 -20.3688 -20.3688 -20.2564 -20.2564 -19.9086 -19.9086 -19.8168 -19.8168 -19.7266 -19.7266 -19.6655 -19.6655 -1.0561 -1.0561 1.3683 1.3683 4.0075 4.0075 4.0091 4.0091 4.6189 4.6189 6.0220 6.0220 6.0324 6.0324 7.6483 7.6483 7.6537 7.6537 8.5638 8.5638 9.8653 9.8653 10.0905 10.0905 10.0909 10.0909 k = 0.3718 0.2147 0.1518 ( 3597 PWs) bands (ev): -41.3624 -41.3624 -41.3077 -41.3077 -20.3676 -20.3676 -20.2587 -20.2587 -19.9093 -19.9093 -19.8133 -19.8133 -19.7292 -19.7292 -19.6649 -19.6649 -1.0028 -1.0028 1.2777 1.2777 3.9883 3.9883 3.9899 3.9899 4.6127 4.6127 6.0392 6.0392 6.0500 6.0500 7.7088 7.7088 7.7142 7.7142 8.6133 8.6133 9.9273 9.9273 10.0760 10.0760 10.0765 10.0765 k = 0.3846 0.2221 0.1570 ( 3603 PWs) bands (ev): -41.3616 -41.3616 -41.3085 -41.3085 -20.3665 -20.3665 -20.2610 -20.2610 -19.9100 -19.9100 -19.8099 -19.8099 -19.7318 -19.7318 -19.6643 -19.6643 -0.9500 -0.9500 1.1912 1.1912 3.9709 3.9709 3.9725 3.9725 4.6074 4.6074 6.0554 6.0554 6.0663 6.0663 7.7655 7.7655 7.7710 7.7710 8.6470 8.6470 10.0091 10.0091 10.0607 10.0607 10.0612 10.0612 k = 0.3974 0.2295 0.1623 ( 3609 PWs) bands (ev): -41.3609 -41.3609 -41.3093 -41.3093 -20.3655 -20.3655 -20.2630 -20.2630 -19.9106 -19.9106 -19.8066 -19.8066 -19.7343 -19.7343 -19.6637 -19.6637 -0.8985 -0.8985 1.1094 1.1094 3.9553 3.9553 3.9569 3.9569 4.6029 4.6029 6.0702 6.0702 6.0813 6.0813 7.8179 7.8179 7.8234 7.8234 8.6672 8.6672 10.0447 10.0447 10.0455 10.0455 10.1087 10.1087 k = 0.4103 0.2369 0.1675 ( 3609 PWs) bands (ev): -41.3602 -41.3602 -41.3100 -41.3100 -20.3645 -20.3645 -20.2649 -20.2649 -19.9111 -19.9111 -19.8034 -19.8034 -19.7368 -19.7368 -19.6632 -19.6632 -0.8489 -0.8489 1.0331 1.0331 3.9416 3.9416 3.9431 3.9431 4.5991 4.5991 6.0836 6.0836 6.0949 6.0949 7.8657 7.8657 7.8713 7.8713 8.6774 8.6774 10.0287 10.0287 10.0297 10.0297 10.2225 10.2225 k = 0.4231 0.2443 0.1727 ( 3597 PWs) bands (ev): -41.3596 -41.3596 -41.3106 -41.3106 -20.3636 -20.3636 -20.2666 -20.2666 -19.9115 -19.9115 -19.8004 -19.8004 -19.7391 -19.7391 -19.6628 -19.6628 -0.8020 -0.8020 0.9631 0.9631 3.9297 3.9297 3.9312 3.9312 4.5960 4.5960 6.0955 6.0955 6.1071 6.1071 7.9084 7.9084 7.9139 7.9139 8.6805 8.6805 10.0131 10.0131 10.0142 10.0142 10.3474 10.3474 k = 0.4359 0.2517 0.1780 ( 3597 PWs) bands (ev): -41.3590 -41.3590 -41.3111 -41.3111 -20.3628 -20.3628 -20.2681 -20.2681 -19.9119 -19.9119 -19.7977 -19.7977 -19.7414 -19.7414 -19.6624 -19.6624 -0.7591 -0.7591 0.9005 0.9005 3.9196 3.9196 3.9211 3.9211 4.5935 4.5935 6.1057 6.1057 6.1175 6.1175 7.9455 7.9455 7.9510 7.9510 8.6792 8.6792 9.9985 9.9985 9.9998 9.9998 10.4803 10.4803 k = 0.4487 0.2591 0.1832 ( 3615 PWs) bands (ev): -41.3586 -41.3586 -41.3116 -41.3116 -20.3621 -20.3621 -20.2694 -20.2694 -19.9122 -19.9122 -19.7953 -19.7953 -19.7434 -19.7434 -19.6621 -19.6621 -0.7212 -0.7212 0.8465 0.8465 3.9113 3.9113 3.9128 3.9128 4.5915 4.5915 6.1142 6.1142 6.1261 6.1261 7.9764 7.9764 7.9820 7.9820 8.6756 8.6756 9.9856 9.9856 9.9870 9.9870 10.6183 10.6183 k = 0.4615 0.2665 0.1884 ( 3609 PWs) bands (ev): -41.3582 -41.3582 -41.3120 -41.3120 -20.3616 -20.3616 -20.2703 -20.2703 -19.9125 -19.9125 -19.7932 -19.7932 -19.7451 -19.7451 -19.6618 -19.6618 -0.6897 -0.6897 0.8025 0.8025 3.9048 3.9048 3.9063 3.9063 4.5900 4.5900 6.1209 6.1209 6.1329 6.1329 8.0011 8.0011 8.0066 8.0066 8.6715 8.6715 9.9748 9.9748 9.9764 9.9764 10.7581 10.7609 k = 0.4744 0.2739 0.1937 ( 3597 PWs) bands (ev): -41.3579 -41.3579 -41.3122 -41.3122 -20.3612 -20.3612 -20.2710 -20.2710 -19.9127 -19.9127 -19.7916 -19.7916 -19.7464 -19.7464 -19.6616 -19.6616 -0.6659 -0.6659 0.7698 0.7698 3.9002 3.9002 3.9017 3.9017 4.5889 4.5889 6.1258 6.1258 6.1378 6.1378 8.0190 8.0190 8.0246 8.0246 8.6678 8.6678 9.9667 9.9667 9.9684 9.9684 10.7942 10.7952 k = 0.4872 0.2813 0.1989 ( 3600 PWs) bands (ev): -41.3578 -41.3578 -41.3124 -41.3124 -20.3610 -20.3610 -20.2714 -20.2714 -19.9128 -19.9128 -19.7906 -19.7906 -19.7473 -19.7473 -19.6615 -19.6615 -0.6511 -0.6511 0.7496 0.7496 3.8974 3.8974 3.8989 3.8989 4.5883 4.5883 6.1287 6.1287 6.1408 6.1408 8.0298 8.0298 8.0354 8.0354 8.6652 8.6652 9.9617 9.9617 9.9634 9.9634 10.7946 10.7968 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2715 -20.2715 -19.9128 -19.9128 -19.7903 -19.7903 -19.7476 -19.7476 -19.6614 -19.6614 -0.6461 -0.6461 0.7428 0.7428 3.8965 3.8965 3.8980 3.8980 4.5881 4.5881 6.1297 6.1297 6.1418 6.1418 8.0335 8.0335 8.0390 8.0390 8.6643 8.6643 9.9600 9.9600 9.9617 9.9617 10.7948 10.7955 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2715 -20.2715 -19.9128 -19.9128 -19.7903 -19.7903 -19.7476 -19.7476 -19.6614 -19.6614 -0.6461 -0.6461 0.7428 0.7428 3.8965 3.8965 3.8980 3.8980 4.5881 4.5881 6.1297 6.1297 6.1418 6.1418 8.0335 8.0335 8.0390 8.0390 8.6643 8.6643 9.9600 9.9600 9.9617 9.9617 10.7948 10.7967 k = 0.5045 0.2758 0.2114 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2716 -20.2716 -19.9128 -19.9128 -19.7902 -19.7902 -19.7476 -19.7476 -19.6614 -19.6614 -0.6452 -0.6452 0.7431 0.7431 3.8814 3.8814 3.8965 3.8965 4.6048 4.6048 6.1300 6.1300 6.1426 6.1426 8.0319 8.0319 8.0380 8.0380 8.6673 8.6673 9.9541 9.9541 9.9611 9.9611 10.7909 10.7912 k = 0.5089 0.2629 0.2187 ( 3596 PWs) bands (ev): -41.3576 -41.3576 -41.3126 -41.3126 -20.3608 -20.3608 -20.2718 -20.2718 -19.9127 -19.9127 -19.7901 -19.7901 -19.7477 -19.7477 -19.6614 -19.6614 -0.6424 -0.6424 0.7441 0.7441 3.8382 3.8382 3.8941 3.8941 4.6507 4.6507 6.1291 6.1291 6.1470 6.1470 8.0250 8.0250 8.0373 8.0373 8.6762 8.6762 9.9346 9.9346 9.9613 9.9613 10.7770 10.7772 k = 0.5134 0.2500 0.2260 ( 3601 PWs) bands (ev): -41.3575 -41.3575 -41.3127 -41.3127 -20.3606 -20.3606 -20.2721 -20.2721 -19.9126 -19.9126 -19.7900 -19.7900 -19.7479 -19.7479 -19.6614 -19.6614 -0.6378 -0.6378 0.7456 0.7456 3.7758 3.7758 3.8902 3.8902 4.7173 4.7173 6.1253 6.1253 6.1569 6.1569 8.0123 8.0123 8.0374 8.0374 8.6904 8.6904 9.9036 9.9036 9.9616 9.9616 10.7544 10.7545 k = 0.5179 0.2371 0.2333 ( 3607 PWs) bands (ev): -41.3573 -41.3573 -41.3129 -41.3129 -20.3604 -20.3604 -20.2726 -20.2726 -19.9125 -19.9125 -19.7897 -19.7897 -19.7482 -19.7482 -19.6613 -19.6613 -0.6313 -0.6313 0.7477 0.7477 3.7020 3.7020 3.8847 3.8847 4.7965 4.7965 6.1195 6.1195 6.1718 6.1718 7.9947 7.9947 8.0379 8.0379 8.7095 8.7095 9.8630 9.8630 9.9619 9.9619 10.7266 10.7266 k = 0.5223 0.2242 0.2406 ( 3601 PWs) bands (ev): -41.3570 -41.3570 -41.3131 -41.3131 -20.3601 -20.3601 -20.2732 -20.2732 -19.9124 -19.9124 -19.7894 -19.7894 -19.7485 -19.7485 -19.6612 -19.6612 -0.6230 -0.6230 0.7502 0.7502 3.6219 3.6219 3.8779 3.8779 4.8826 4.8826 6.1129 6.1129 6.1912 6.1912 7.9727 7.9727 8.0387 8.0387 8.7329 8.7329 9.8152 9.8152 9.9619 9.9619 10.6948 10.6948 k = 0.5268 0.2114 0.2479 ( 3605 PWs) bands (ev): -41.3567 -41.3567 -41.3134 -41.3134 -20.3597 -20.3597 -20.2739 -20.2739 -19.9122 -19.9122 -19.7890 -19.7890 -19.7489 -19.7489 -19.6611 -19.6611 -0.6129 -0.6129 0.7529 0.7529 3.5388 3.5388 3.8699 3.8699 4.9716 4.9716 6.1067 6.1067 6.2149 6.2149 7.9466 7.9466 8.0397 8.0397 8.7598 8.7598 9.7625 9.7625 9.9613 9.9613 10.6593 10.6593 k = 0.5312 0.1985 0.2552 ( 3601 PWs) bands (ev): -41.3564 -41.3564 -41.3138 -41.3138 -20.3593 -20.3593 -20.2747 -20.2747 -19.9120 -19.9120 -19.7886 -19.7886 -19.7494 -19.7494 -19.6610 -19.6610 -0.6010 -0.6010 0.7558 0.7558 3.4549 3.4549 3.8606 3.8606 5.0602 5.0602 6.1026 6.1026 6.2426 6.2426 7.9165 7.9165 8.0409 8.0409 8.7895 8.7895 9.7070 9.7070 9.9598 9.9598 10.6194 10.6194 k = 0.5357 0.1856 0.2624 ( 3607 PWs) bands (ev): -41.3560 -41.3560 -41.3141 -41.3141 -20.3588 -20.3588 -20.2756 -20.2756 -19.9117 -19.9117 -19.7882 -19.7882 -19.7498 -19.7498 -19.6609 -19.6609 -0.5872 -0.5872 0.7586 0.7586 3.3714 3.3714 3.8502 3.8502 5.1453 5.1453 6.1025 6.1025 6.2741 6.2741 7.8826 7.8826 8.0422 8.0422 8.8213 8.8213 9.6507 9.6507 9.9571 9.9571 10.5744 10.5744 k = 0.5402 0.1727 0.2697 ( 3602 PWs) bands (ev): -41.3556 -41.3556 -41.3146 -41.3146 -20.3582 -20.3582 -20.2766 -20.2766 -19.9114 -19.9114 -19.7878 -19.7878 -19.7503 -19.7503 -19.6608 -19.6608 -0.5717 -0.5717 0.7612 0.7612 3.2895 3.2895 3.8390 3.8390 5.2237 5.2237 6.1091 6.1091 6.3093 6.3093 7.8450 7.8450 8.0437 8.0437 8.8546 8.8546 9.5956 9.5956 9.9526 9.9526 10.5236 10.5236 k = 0.5446 0.1598 0.2770 ( 3602 PWs) bands (ev): -41.3551 -41.3551 -41.3151 -41.3151 -20.3576 -20.3576 -20.2778 -20.2778 -19.9111 -19.9111 -19.7873 -19.7873 -19.7508 -19.7508 -19.6607 -19.6607 -0.5543 -0.5543 0.7631 0.7631 3.2098 3.2098 3.8270 3.8270 5.2921 5.2921 6.1254 6.1254 6.3480 6.3480 7.8036 7.8036 8.0452 8.0452 8.8886 8.8886 9.5432 9.5432 9.9461 9.9461 10.4674 10.4674 k = 0.5491 0.1469 0.2843 ( 3605 PWs) bands (ev): -41.3545 -41.3545 -41.3156 -41.3156 -20.3569 -20.3569 -20.2790 -20.2790 -19.9108 -19.9108 -19.7870 -19.7870 -19.7512 -19.7512 -19.6606 -19.6606 -0.5352 -0.5352 0.7643 0.7643 3.1331 3.1331 3.8144 3.8144 5.3473 5.3473 6.1542 6.1542 6.3899 6.3899 7.7584 7.7584 8.0468 8.0468 8.9225 8.9225 9.4950 9.4950 9.9372 9.9372 10.4068 10.4068 k = 0.5536 0.1340 0.2916 ( 3607 PWs) bands (ev): -41.3540 -41.3540 -41.3162 -41.3162 -20.3561 -20.3561 -20.2804 -20.2804 -19.9104 -19.9104 -19.7867 -19.7867 -19.7515 -19.7515 -19.6606 -19.6606 -0.5144 -0.5144 0.7642 0.7642 3.0599 3.0599 3.8013 3.8013 5.3870 5.3870 6.1976 6.1976 6.4350 6.4350 7.7096 7.7096 8.0484 8.0484 8.9554 8.9554 9.4524 9.4524 9.9255 9.9255 10.3435 10.3435 k = 0.5580 0.1211 0.2989 ( 3605 PWs) bands (ev): -41.3533 -41.3533 -41.3168 -41.3168 -20.3553 -20.3553 -20.2818 -20.2818 -19.9100 -19.9100 -19.7864 -19.7864 -19.7518 -19.7518 -19.6605 -19.6605 -0.4918 -0.4918 0.7627 0.7627 2.9907 2.9907 3.7879 3.7879 5.4111 5.4111 6.2557 6.2557 6.4829 6.4829 7.6572 7.6572 8.0501 8.0501 8.9860 8.9860 9.4168 9.4168 9.9108 9.9108 10.2792 10.2792 k = 0.5625 0.1083 0.3062 ( 3607 PWs) bands (ev): -41.3527 -41.3527 -41.3175 -41.3175 -20.3544 -20.3544 -20.2833 -20.2833 -19.9095 -19.9095 -19.7863 -19.7863 -19.7519 -19.7519 -19.6604 -19.6604 -0.4676 -0.4676 0.7592 0.7592 2.9261 2.9261 3.7743 3.7743 5.4209 5.4209 6.3266 6.3266 6.5335 6.5335 7.6017 7.6017 8.0517 8.0517 9.0133 9.0133 9.3891 9.3891 9.8931 9.8931 10.2153 10.2153 k = 0.5670 0.0954 0.3135 ( 3599 PWs) bands (ev): -41.3520 -41.3520 -41.3182 -41.3182 -20.3534 -20.3534 -20.2848 -20.2848 -19.9090 -19.9090 -19.7864 -19.7864 -19.7519 -19.7519 -19.6604 -19.6604 -0.4417 -0.4417 0.7535 0.7535 2.8665 2.8665 3.7606 3.7606 5.4191 5.4191 6.4073 6.4073 6.5865 6.5865 7.5437 7.5437 8.0533 8.0533 9.0358 9.0358 9.3703 9.3703 9.8725 9.8725 10.1536 10.1536 k = 0.5714 0.0825 0.3208 ( 3605 PWs) bands (ev): -41.3512 -41.3512 -41.3189 -41.3189 -20.3524 -20.3524 -20.2865 -20.2865 -19.9085 -19.9085 -19.7866 -19.7866 -19.7518 -19.7518 -19.6604 -19.6604 -0.4141 -0.4141 0.7452 0.7452 2.8123 2.8123 3.7469 3.7469 5.4085 5.4085 6.4942 6.4942 6.6418 6.6418 7.4841 7.4841 8.0548 8.0548 9.0529 9.0529 9.3603 9.3603 9.8492 9.8492 10.0954 10.0954 k = 0.5759 0.0696 0.3281 ( 3597 PWs) bands (ev): -41.3505 -41.3505 -41.3197 -41.3197 -20.3514 -20.3514 -20.2881 -20.2881 -19.9080 -19.9080 -19.7870 -19.7870 -19.7514 -19.7514 -19.6604 -19.6604 -0.3851 -0.3851 0.7340 0.7340 2.7640 2.7640 3.7335 3.7335 5.3915 5.3915 6.5835 6.5835 6.6990 6.6990 7.4244 7.4244 8.0561 8.0561 9.0649 9.0649 9.3575 9.3575 9.8233 9.8233 10.0426 10.0426 k = 0.5804 0.0567 0.3353 ( 3597 PWs) bands (ev): -41.3496 -41.3496 -41.3205 -41.3205 -20.3502 -20.3502 -20.2899 -20.2899 -19.9074 -19.9074 -19.7876 -19.7876 -19.7509 -19.7509 -19.6604 -19.6604 -0.3546 -0.3546 0.7195 0.7195 2.7219 2.7219 3.7202 3.7202 5.3701 5.3701 6.6707 6.6707 6.7579 6.7579 7.3674 7.3674 8.0573 8.0573 9.0729 9.0729 9.3591 9.3591 9.7954 9.7954 9.9972 9.9972 k = 0.5848 0.0438 0.3426 ( 3594 PWs) bands (ev): -41.3488 -41.3488 -41.3213 -41.3213 -20.3491 -20.3491 -20.2916 -20.2916 -19.9068 -19.9068 -19.7884 -19.7884 -19.7501 -19.7501 -19.6605 -19.6605 -0.3227 -0.3227 0.7017 0.7017 2.6863 2.6863 3.7074 3.7074 5.3458 5.3458 6.7495 6.7495 6.8182 6.8182 7.3181 7.3181 8.0584 8.0584 9.0789 9.0789 9.3613 9.3613 9.7657 9.7657 9.9613 9.9613 k = 0.5893 0.0309 0.3499 ( 3592 PWs) bands (ev): -41.3480 -41.3480 -41.3222 -41.3222 -20.3479 -20.3479 -20.2934 -20.2934 -19.9062 -19.9062 -19.7894 -19.7894 -19.7492 -19.7492 -19.6606 -19.6606 -0.2897 -0.2897 0.6804 0.6804 2.6573 2.6573 3.6950 3.6950 5.3197 5.3197 6.8097 6.8097 6.8795 6.8795 7.2856 7.2856 8.0594 8.0594 9.0846 9.0846 9.3606 9.3606 9.7348 9.7348 9.9369 9.9369 k = 0.5938 0.0180 0.3572 ( 3584 PWs) bands (ev): -41.3471 -41.3471 -41.3231 -41.3231 -20.3466 -20.3466 -20.2952 -20.2952 -19.9055 -19.9055 -19.7905 -19.7905 -19.7481 -19.7481 -19.6607 -19.6607 -0.2555 -0.2555 0.6556 0.6556 2.6351 2.6351 3.6831 3.6831 5.2927 5.2927 6.8379 6.8379 6.9414 6.9414 7.2825 7.2825 8.0603 8.0603 9.0914 9.0914 9.3546 9.3546 9.7031 9.7031 9.9252 9.9252 k = 0.5982 0.0052 0.3645 ( 3585 PWs) bands (ev): -41.3462 -41.3462 -41.3239 -41.3239 -20.3454 -20.3454 -20.2970 -20.2970 -19.9048 -19.9048 -19.7918 -19.7918 -19.7469 -19.7469 -19.6609 -19.6609 -0.2207 -0.2207 0.6277 0.6277 2.6195 2.6195 3.6719 3.6719 5.2654 5.2654 6.8275 6.8275 7.0035 7.0035 7.3145 7.3145 8.0614 8.0614 9.0999 9.0999 9.3426 9.3426 9.6710 9.6710 9.9262 9.9262 k = 0.6027-0.0077 0.3718 ( 3581 PWs) bands (ev): -41.3453 -41.3453 -41.3248 -41.3248 -20.3441 -20.3441 -20.2987 -20.2987 -19.9041 -19.9041 -19.7933 -19.7933 -19.7455 -19.7455 -19.6611 -19.6611 -0.1854 -0.1854 0.5970 0.5970 2.6106 2.6106 3.6614 3.6614 5.2383 5.2383 6.7871 6.7871 7.0653 7.0653 7.3724 7.3724 8.0627 8.0627 9.1105 9.1105 9.3259 9.3259 9.6389 9.6389 9.9386 9.9386 k = 0.6071-0.0206 0.3791 ( 3580 PWs) bands (ev): -41.3445 -41.3445 -41.3257 -41.3257 -20.3429 -20.3429 -20.3003 -20.3003 -19.9034 -19.9034 -19.7949 -19.7949 -19.7440 -19.7440 -19.6613 -19.6613 -0.1502 -0.1502 0.5642 0.5642 2.6079 2.6079 3.6517 3.6517 5.2119 5.2119 6.7291 6.7291 7.1259 7.1259 7.4429 7.4429 8.0646 8.0646 9.1231 9.1231 9.3070 9.3070 9.6072 9.6072 9.9602 9.9602 k = 0.6116-0.0335 0.3864 ( 3582 PWs) bands (ev): -41.3437 -41.3437 -41.3265 -41.3265 -20.3417 -20.3417 -20.3019 -20.3019 -19.9027 -19.9027 -19.7967 -19.7967 -19.7424 -19.7424 -19.6616 -19.6616 -0.1160 -0.1160 0.5304 0.5304 2.6114 2.6114 3.6428 3.6428 5.1865 5.1865 6.6618 6.6618 7.1846 7.1846 7.5169 7.5169 8.0676 8.0676 9.1364 9.1364 9.2896 9.2896 9.5763 9.5763 9.9888 9.9888 k = 0.6161-0.0464 0.3937 ( 3584 PWs) bands (ev): -41.3429 -41.3429 -41.3273 -41.3273 -20.3406 -20.3406 -20.3033 -20.3033 -19.9019 -19.9019 -19.7986 -19.7986 -19.7407 -19.7407 -19.6620 -19.6620 -0.0839 -0.0839 0.4971 0.4971 2.6205 2.6205 3.6347 3.6347 5.1623 5.1623 6.5897 6.5897 7.2405 7.2405 7.5890 7.5890 8.0723 8.0723 9.1482 9.1482 9.2785 9.2785 9.5465 9.5465 10.0224 10.0224 k = 0.6205-0.0593 0.4010 ( 3576 PWs) bands (ev): -41.3422 -41.3422 -41.3279 -41.3279 -20.3396 -20.3396 -20.3046 -20.3046 -19.9011 -19.9011 -19.8005 -19.8005 -19.7389 -19.7389 -19.6624 -19.6624 -0.0558 -0.0558 0.4664 0.4664 2.6349 2.6349 3.6277 3.6277 5.1395 5.1395 6.5152 6.5152 7.2922 7.2922 7.6560 7.6560 8.0794 8.0794 9.1546 9.1546 9.2792 9.2792 9.5180 9.5180 10.0593 10.0593 k = 0.6250-0.0722 0.4082 ( 3580 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8025 -19.8025 -19.7371 -19.7371 -19.6628 -19.6628 -0.0345 -0.0345 0.4414 0.4414 2.6543 2.6543 3.6215 3.6215 5.1182 5.1182 6.4397 6.4397 7.3385 7.3385 7.7156 7.7156 8.0898 8.0898 9.1539 9.1539 9.2945 9.2945 9.4911 9.4911 10.0984 10.0984 k = 0.6250-0.0722 0.4082 ( 3580 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8025 -19.8025 -19.7371 -19.7371 -19.6628 -19.6628 -0.0345 -0.0345 0.4414 0.4414 2.6543 2.6543 3.6215 3.6215 5.1182 5.1182 6.4397 6.4397 7.3385 7.3385 7.7156 7.7156 8.0898 8.0898 9.1539 9.1539 9.2945 9.2945 9.4911 9.4911 10.0984 10.0984 k = 0.6172-0.0677 0.4210 ( 3576 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8024 -19.8024 -19.7372 -19.7372 -19.6628 -19.6628 -0.0334 -0.0334 0.4408 0.4408 2.6553 2.6553 3.6141 3.6141 5.1286 5.1286 6.4404 6.4404 7.3342 7.3342 7.7036 7.7036 8.0997 8.0997 9.1545 9.1545 9.2956 9.2956 9.4914 9.4914 10.1009 10.1009 k = 0.6094-0.0631 0.4338 ( 3581 PWs) bands (ev): -41.3416 -41.3416 -41.3286 -41.3286 -20.3387 -20.3387 -20.3057 -20.3057 -19.9004 -19.9004 -19.8021 -19.8021 -19.7375 -19.7375 -19.6627 -19.6627 -0.0304 -0.0304 0.4390 0.4390 2.6585 2.6585 3.5924 3.5924 5.1591 5.1591 6.4425 6.4425 7.3216 7.3216 7.6705 7.6705 8.1260 8.1260 9.1554 9.1554 9.2997 9.2997 9.4922 9.4922 10.1084 10.1084 k = 0.6016-0.0586 0.4465 ( 3577 PWs) bands (ev): -41.3415 -41.3415 -41.3287 -41.3287 -20.3386 -20.3386 -20.3059 -20.3059 -19.9005 -19.9005 -19.8016 -19.8016 -19.7379 -19.7379 -19.6626 -19.6626 -0.0252 -0.0252 0.4359 0.4359 2.6637 2.6637 3.5584 3.5584 5.2080 5.2080 6.4460 6.4460 7.3011 7.3011 7.6225 7.6225 8.1629 8.1629 9.1547 9.1547 9.3083 9.3083 9.4937 9.4937 10.1207 10.1207 k = 0.5938-0.0541 0.4593 ( 3576 PWs) bands (ev): -41.3413 -41.3413 -41.3289 -41.3289 -20.3384 -20.3384 -20.3061 -20.3061 -19.9007 -19.9007 -19.8010 -19.8010 -19.7385 -19.7385 -19.6624 -19.6624 -0.0180 -0.0180 0.4314 0.4314 2.6710 2.6710 3.5145 3.5145 5.2727 5.2727 6.4508 6.4508 7.2731 7.2731 7.5648 7.5648 8.2054 8.2054 9.1500 9.1500 9.3228 9.3228 9.4960 9.4960 10.1373 10.1373 k = 0.5859-0.0496 0.4720 ( 3578 PWs) bands (ev): -41.3410 -41.3410 -41.3291 -41.3291 -20.3382 -20.3382 -20.3064 -20.3064 -19.9009 -19.9009 -19.8002 -19.8002 -19.7393 -19.7393 -19.6623 -19.6623 -0.0088 -0.0088 0.4256 0.4256 2.6803 2.6803 3.4633 3.4633 5.3507 5.3507 6.4570 6.4570 7.2386 7.2386 7.5004 7.5004 8.2507 8.2507 9.1399 9.1399 9.3437 9.3437 9.4992 9.4992 10.1578 10.1578 k = 0.5781-0.0451 0.4848 ( 3582 PWs) bands (ev): -41.3407 -41.3407 -41.3294 -41.3294 -20.3379 -20.3379 -20.3067 -20.3067 -19.9012 -19.9012 -19.7992 -19.7992 -19.7402 -19.7402 -19.6621 -19.6621 0.0024 0.0024 0.4182 0.4182 2.6916 2.6916 3.4073 3.4073 5.4396 5.4396 6.4645 6.4645 7.1983 7.1983 7.4311 7.4311 8.2972 8.2972 9.1240 9.1240 9.3704 9.3704 9.5034 9.5034 10.1816 10.1816 k = 0.5703-0.0406 0.4976 ( 3585 PWs) bands (ev): -41.3404 -41.3404 -41.3298 -41.3298 -20.3376 -20.3376 -20.3071 -20.3071 -19.9014 -19.9014 -19.7981 -19.7981 -19.7412 -19.7412 -19.6619 -19.6619 0.0158 0.0158 0.4092 0.4092 2.7049 2.7049 3.3486 3.3486 5.5373 5.5373 6.4733 6.4733 7.1530 7.1530 7.3582 7.3582 8.3441 8.3441 9.1029 9.1029 9.4010 9.4010 9.5087 9.5087 10.2081 10.2081 k = 0.5625-0.0361 0.5103 ( 3587 PWs) bands (ev): -41.3400 -41.3400 -41.3302 -41.3302 -20.3373 -20.3373 -20.3075 -20.3075 -19.9017 -19.9017 -19.7970 -19.7970 -19.7423 -19.7423 -19.6616 -19.6616 0.0311 0.0311 0.3983 0.3983 2.7202 2.7202 3.2891 3.2891 5.6422 5.6422 6.4832 6.4832 7.1036 7.1036 7.2825 7.2825 8.3911 8.3911 9.0771 9.0771 9.4337 9.4337 9.5152 9.5152 10.2366 10.2366 k = 0.5547-0.0316 0.5231 ( 3597 PWs) bands (ev): -41.3395 -41.3395 -41.3306 -41.3306 -20.3370 -20.3370 -20.3080 -20.3080 -19.9020 -19.9020 -19.7957 -19.7957 -19.7435 -19.7435 -19.6614 -19.6614 0.0485 0.0485 0.3855 0.3855 2.7374 2.7374 3.2300 3.2300 5.7527 5.7527 6.4943 6.4943 7.0509 7.0509 7.2046 7.2046 8.4378 8.4378 9.0473 9.0473 9.4667 9.4667 9.5229 9.5229 10.2666 10.2666 k = 0.5469-0.0271 0.5358 ( 3601 PWs) bands (ev): -41.3390 -41.3390 -41.3311 -41.3311 -20.3366 -20.3366 -20.3085 -20.3085 -19.9022 -19.9022 -19.7945 -19.7945 -19.7446 -19.7446 -19.6612 -19.6612 0.0679 0.0679 0.3705 0.3705 2.7565 2.7565 3.1726 3.1726 5.8678 5.8678 6.5063 6.5063 6.9957 6.9957 7.1248 7.1248 8.4844 8.4844 9.0140 9.0140 9.4980 9.4980 9.5318 9.5318 10.2975 10.2975 k = 0.5391-0.0226 0.5486 ( 3600 PWs) bands (ev): -41.3385 -41.3385 -41.3317 -41.3317 -20.3363 -20.3363 -20.3089 -20.3089 -19.9025 -19.9025 -19.7933 -19.7933 -19.7458 -19.7458 -19.6610 -19.6610 0.0893 0.0893 0.3531 0.3531 2.7773 2.7773 3.1179 3.1179 5.9866 5.9866 6.5192 6.5192 6.9387 6.9387 7.0437 7.0437 8.5308 8.5308 8.9777 8.9777 9.5254 9.5254 9.5427 9.5427 10.3287 10.3287 k = 0.5312-0.0180 0.5613 ( 3611 PWs) bands (ev): -41.3379 -41.3379 -41.3323 -41.3323 -20.3359 -20.3359 -20.3094 -20.3094 -19.9027 -19.9027 -19.7921 -19.7921 -19.7469 -19.7469 -19.6608 -19.6608 0.1128 0.1128 0.3333 0.3333 2.7999 2.7999 3.0665 3.0665 6.1080 6.1080 6.5324 6.5324 6.8808 6.8808 6.9616 6.9616 8.5772 8.5772 8.9388 8.9388 9.5446 9.5446 9.5580 9.5580 10.3595 10.3595 k = 0.5234-0.0135 0.5741 ( 3609 PWs) bands (ev): -41.3373 -41.3373 -41.3329 -41.3329 -20.3356 -20.3356 -20.3098 -20.3098 -19.9029 -19.9029 -19.7911 -19.7911 -19.7478 -19.7478 -19.6606 -19.6606 0.1382 0.1382 0.3108 0.3108 2.8242 2.8242 3.0193 3.0193 6.2311 6.2311 6.5455 6.5455 6.8229 6.8229 6.8792 6.8792 8.6236 8.6236 8.8977 8.8977 9.5569 9.5569 9.5748 9.5748 10.3895 10.3895 k = 0.5156-0.0090 0.5869 ( 3603 PWs) bands (ev): -41.3366 -41.3366 -41.3336 -41.3336 -20.3353 -20.3353 -20.3101 -20.3101 -19.9030 -19.9030 -19.7903 -19.7903 -19.7486 -19.7486 -19.6605 -19.6605 0.1657 0.1657 0.2857 0.2857 2.8501 2.8501 2.9767 2.9767 6.3544 6.3544 6.5571 6.5571 6.7669 6.7669 6.7976 6.7976 8.6700 8.6700 8.8547 8.8547 9.5671 9.5671 9.5870 9.5870 10.4179 10.4179 k = 0.5078-0.0045 0.5996 ( 3605 PWs) bands (ev): -41.3358 -41.3358 -41.3343 -41.3343 -20.3352 -20.3352 -20.3103 -20.3103 -19.9031 -19.9031 -19.7898 -19.7898 -19.7491 -19.7491 -19.6604 -19.6604 0.1951 0.1951 0.2576 0.2576 2.8774 2.8774 2.9392 2.9392 6.4735 6.4735 6.5632 6.5632 6.7166 6.7166 6.7210 6.7210 8.7166 8.7166 8.8100 8.8100 9.5754 9.5754 9.5929 9.5929 10.4435 10.4435 k = 0.5000-0.0000 0.6124 ( 3636 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3352 -20.3352 -20.3104 -20.3104 -19.9032 -19.9032 -19.7897 -19.7897 -19.7493 -19.7493 -19.6605 -19.6605 0.2245 0.2245 0.2286 0.2286 2.9027 2.9027 2.9104 2.9104 6.5544 6.5544 6.5549 6.5549 6.6811 6.6811 6.6832 6.6832 8.7593 8.7593 8.7677 8.7677 9.5794 9.5794 9.5937 9.5937 10.4618 10.4651 k = 0.5000-0.0000 0.6124 ( 3636 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3352 -20.3352 -20.3104 -20.3104 -19.9032 -19.9032 -19.7897 -19.7897 -19.7493 -19.7493 -19.6605 -19.6605 0.2245 0.2245 0.2286 0.2286 2.9027 2.9027 2.9104 2.9104 6.5544 6.5544 6.5549 6.5549 6.6811 6.6811 6.6832 6.6832 8.7593 8.7593 8.7677 8.7677 9.5794 9.5794 9.5937 9.5937 10.4617 10.4624 k = 0.5000 0.0090 0.5996 ( 3608 PWs) bands (ev): -41.3362 -41.3362 -41.3340 -41.3340 -20.3353 -20.3353 -20.3102 -20.3102 -19.9032 -19.9032 -19.7896 -19.7896 -19.7493 -19.7493 -19.6604 -19.6604 0.1807 0.1807 0.2724 0.2724 2.8658 2.8658 2.9498 2.9498 6.5166 6.5166 6.5609 6.5609 6.6728 6.6728 6.7245 6.7245 8.6961 8.6961 8.8291 8.8291 9.5730 9.5730 9.5968 9.5968 10.4339 10.4339 k = 0.5000 0.0180 0.5869 ( 3606 PWs) bands (ev): -41.3373 -41.3373 -41.3329 -41.3329 -20.3357 -20.3357 -20.3096 -20.3096 -19.9033 -19.9033 -19.7894 -19.7894 -19.7494 -19.7494 -19.6604 -19.6604 0.1350 0.1350 0.3178 0.3178 2.8282 2.8282 2.9948 2.9948 6.4710 6.4710 6.5260 6.5260 6.7051 6.7051 6.7760 6.7760 8.6272 8.6272 8.8922 8.8922 9.5587 9.5587 9.6009 9.6009 10.3981 10.3981 k = 0.5000 0.0271 0.5741 ( 3596 PWs) bands (ev): -41.3384 -41.3384 -41.3318 -41.3318 -20.3364 -20.3364 -20.3087 -20.3087 -19.9034 -19.9034 -19.7892 -19.7892 -19.7495 -19.7495 -19.6604 -19.6604 0.0895 0.0895 0.3625 0.3625 2.7939 2.7939 3.0415 3.0415 6.4244 6.4244 6.4779 6.4779 6.7504 6.7504 6.8303 6.8303 8.5570 8.5570 8.9526 8.9526 9.5389 9.5389 9.6046 9.6046 10.3611 10.3611 k = 0.5000 0.0361 0.5613 ( 3598 PWs) bands (ev): -41.3395 -41.3395 -41.3307 -41.3307 -20.3374 -20.3374 -20.3075 -20.3075 -19.9036 -19.9036 -19.7890 -19.7890 -19.7498 -19.7498 -19.6603 -19.6603 0.0446 0.0446 0.4062 0.4062 2.7633 2.7633 3.0895 3.0895 6.3786 6.3786 6.4267 6.4267 6.7979 6.7979 6.8858 6.8858 8.4858 8.4858 9.0093 9.0093 9.5142 9.5142 9.6087 9.6087 10.3245 10.3245 k = 0.5000 0.0451 0.5486 ( 3594 PWs) bands (ev): -41.3406 -41.3406 -41.3296 -41.3296 -20.3385 -20.3385 -20.3062 -20.3062 -19.9038 -19.9038 -19.7886 -19.7886 -19.7501 -19.7501 -19.6603 -19.6603 0.0004 0.0004 0.4486 0.4486 2.7370 2.7370 3.1384 3.1384 6.3346 6.3346 6.3746 6.3746 6.8442 6.8442 6.9420 6.9420 8.4144 8.4144 9.0615 9.0615 9.4851 9.4851 9.6145 9.6145 10.2887 10.2887 k = 0.5000 0.0541 0.5358 ( 3596 PWs) bands (ev): -41.3416 -41.3416 -41.3285 -41.3285 -20.3397 -20.3397 -20.3046 -20.3046 -19.9041 -19.9041 -19.7883 -19.7883 -19.7504 -19.7504 -19.6603 -19.6603 -0.0430 -0.0430 0.4894 0.4894 2.7153 2.7153 3.1879 3.1879 6.2927 6.2927 6.3224 6.3224 6.8874 6.8874 6.9986 6.9986 8.3436 8.3436 9.1075 9.1075 9.4529 9.4529 9.6240 9.6240 10.2544 10.2544 k = 0.5000 0.0631 0.5231 ( 3592 PWs) bands (ev): -41.3427 -41.3427 -41.3275 -41.3275 -20.3410 -20.3410 -20.3030 -20.3030 -19.9045 -19.9045 -19.7879 -19.7879 -19.7508 -19.7508 -19.6602 -19.6602 -0.0854 -0.0854 0.5282 0.5282 2.6987 2.6987 3.2375 3.2375 6.2533 6.2533 6.2702 6.2702 6.9256 6.9256 7.0553 7.0553 8.2748 8.2748 9.1457 9.1457 9.4190 9.4190 9.6391 9.6391 10.2218 10.2218 k = 0.5000 0.0722 0.5103 ( 3586 PWs) bands (ev): -41.3437 -41.3437 -41.3264 -41.3264 -20.3423 -20.3423 -20.3012 -20.3012 -19.9048 -19.9048 -19.7874 -19.7874 -19.7511 -19.7511 -19.6602 -19.6602 -0.1267 -0.1267 0.5647 0.5647 2.6878 2.6878 3.2869 3.2869 6.2155 6.2155 6.2195 6.2195 6.9568 6.9568 7.1119 7.1119 8.2095 8.2095 9.1746 9.1746 9.3852 9.3852 9.6615 9.6615 10.1913 10.1913 k = 0.5000 0.0812 0.4976 ( 3590 PWs) bands (ev): -41.3448 -41.3448 -41.3254 -41.3254 -20.3436 -20.3436 -20.2994 -20.2994 -19.9053 -19.9053 -19.7870 -19.7870 -19.7515 -19.7515 -19.6602 -19.6602 -0.1669 -0.1669 0.5985 0.5985 2.6828 2.6828 3.3359 3.3359 6.1653 6.1653 6.1842 6.1842 6.9787 6.9787 7.1684 7.1684 8.1498 8.1498 9.1931 9.1931 9.3532 9.3532 9.6924 9.6924 10.1630 10.1630 k = 0.5000 0.0902 0.4848 ( 3588 PWs) bands (ev): -41.3457 -41.3457 -41.3244 -41.3244 -20.3449 -20.3449 -20.2976 -20.2976 -19.9057 -19.9057 -19.7866 -19.7866 -19.7519 -19.7519 -19.6601 -19.6601 -0.2058 -0.2058 0.6294 0.6294 2.6842 2.6842 3.3839 3.3839 6.1130 6.1130 6.1541 6.1541 6.9890 6.9890 7.2245 7.2245 8.0979 8.0979 9.2011 9.2011 9.3247 9.3247 9.7318 9.7318 10.1373 10.1373 k = 0.5000 0.0992 0.4720 ( 3586 PWs) bands (ev): -41.3467 -41.3467 -41.3235 -41.3235 -20.3462 -20.3462 -20.2957 -20.2957 -19.9061 -19.9061 -19.7863 -19.7863 -19.7522 -19.7522 -19.6601 -19.6601 -0.2434 -0.2434 0.6571 0.6571 2.6922 2.6922 3.4309 3.4309 6.0603 6.0603 6.1275 6.1275 6.9857 6.9857 7.2801 7.2801 8.0558 8.0558 9.1998 9.1998 9.3010 9.3010 9.7785 9.7785 10.1146 10.1146 k = 0.5000 0.1083 0.4593 ( 3594 PWs) bands (ev): -41.3476 -41.3476 -41.3225 -41.3225 -20.3475 -20.3475 -20.2939 -20.2939 -19.9066 -19.9066 -19.7860 -19.7860 -19.7525 -19.7525 -19.6601 -19.6601 -0.2796 -0.2796 0.6814 0.6814 2.7070 2.7070 3.4763 3.4763 6.0070 6.0070 6.1044 6.1044 6.9676 6.9676 7.3349 7.3349 8.0247 8.0247 9.1905 9.1905 9.2832 9.2832 9.8306 9.8306 10.0954 10.0954 k = 0.5000 0.1173 0.4465 ( 3594 PWs) bands (ev): -41.3486 -41.3486 -41.3216 -41.3216 -20.3488 -20.3488 -20.2921 -20.2921 -19.9071 -19.9071 -19.7857 -19.7857 -19.7527 -19.7527 -19.6601 -19.6601 -0.3142 -0.3142 0.7024 0.7024 2.7288 2.7288 3.5200 3.5200 5.9526 5.9526 6.0850 6.0850 6.9350 6.9350 7.3890 7.3890 8.0048 8.0048 9.1747 9.1747 9.2722 9.2722 9.8854 9.8854 10.0811 10.0811 k = 0.5000 0.1263 0.4338 ( 3598 PWs) bands (ev): -41.3494 -41.3494 -41.3207 -41.3207 -20.3500 -20.3500 -20.2903 -20.2903 -19.9076 -19.9076 -19.7855 -19.7855 -19.7529 -19.7529 -19.6601 -19.6601 -0.3474 -0.3474 0.7199 0.7199 2.7576 2.7576 3.5618 3.5618 5.8969 5.8969 6.0693 6.0693 6.8895 6.8895 7.4421 7.4421 7.9948 7.9948 9.1537 9.1537 9.2688 9.2688 9.9381 9.9381 10.0753 10.0753 k = 0.5000 0.1353 0.4210 ( 3598 PWs) bands (ev): -41.3503 -41.3503 -41.3199 -41.3199 -20.3511 -20.3511 -20.2885 -20.2885 -19.9081 -19.9081 -19.7855 -19.7855 -19.7529 -19.7529 -19.6602 -19.6602 -0.3789 -0.3789 0.7342 0.7342 2.7932 2.7932 3.6013 3.6013 5.8393 5.8393 6.0572 6.0572 6.8336 6.8336 7.4941 7.4941 7.9925 7.9925 9.1285 9.1285 9.2735 9.2735 9.9766 9.9766 10.0890 10.0890 k = 0.5000 0.1443 0.4082 ( 3600 PWs) bands (ev): -41.3511 -41.3511 -41.3191 -41.3191 -20.3522 -20.3522 -20.2868 -20.2868 -19.9086 -19.9086 -19.7855 -19.7855 -19.7529 -19.7529 -19.6602 -19.6602 -0.4088 -0.4088 0.7453 0.7453 2.8356 2.8356 3.6384 3.6384 5.7793 5.7793 6.0487 6.0487 6.7704 6.7704 7.5448 7.5448 7.9954 7.9954 9.1000 9.1000 9.2866 9.2866 9.9908 9.9908 10.1315 10.1315 k = 0.5000 0.1534 0.3955 ( 3602 PWs) bands (ev): -41.3518 -41.3518 -41.3183 -41.3183 -20.3533 -20.3533 -20.2851 -20.2851 -19.9091 -19.9091 -19.7856 -19.7856 -19.7527 -19.7527 -19.6603 -19.6603 -0.4371 -0.4371 0.7536 0.7536 2.8843 2.8843 3.6730 3.6730 5.7164 5.7164 6.0435 6.0435 6.7031 6.7031 7.5940 7.5940 8.0015 8.0015 9.0689 9.0689 9.3080 9.3080 9.9909 9.9909 10.1916 10.1916 k = 0.5000 0.1624 0.3827 ( 3602 PWs) bands (ev): -41.3526 -41.3526 -41.3176 -41.3176 -20.3543 -20.3543 -20.2835 -20.2835 -19.9095 -19.9095 -19.7858 -19.7858 -19.7525 -19.7525 -19.6603 -19.6603 -0.4637 -0.4637 0.7593 0.7593 2.9391 2.9391 3.7050 3.7050 5.6499 5.6499 6.0416 6.0416 6.6343 6.6343 7.6417 7.6417 8.0088 8.0088 9.0357 9.0357 9.3374 9.3374 9.9871 9.9871 10.2585 10.2585 k = 0.5000 0.1714 0.3700 ( 3602 PWs) bands (ev): -41.3532 -41.3532 -41.3169 -41.3169 -20.3552 -20.3552 -20.2820 -20.2820 -19.9099 -19.9099 -19.7861 -19.7861 -19.7522 -19.7522 -19.6604 -19.6604 -0.4885 -0.4885 0.7628 0.7628 2.9995 2.9995 3.7342 3.7342 5.5795 5.5795 6.0427 6.0427 6.5665 6.5665 7.6876 7.6876 8.0161 8.0161 9.0012 9.0012 9.3743 9.3743 9.9827 9.9827 10.3280 10.3280 k = 0.5000 0.1804 0.3572 ( 3606 PWs) bands (ev): -41.3539 -41.3539 -41.3163 -41.3163 -20.3560 -20.3560 -20.2805 -20.2805 -19.9104 -19.9104 -19.7864 -19.7864 -19.7518 -19.7518 -19.6605 -19.6605 -0.5116 -0.5116 0.7644 0.7644 3.0651 3.0651 3.7608 3.7608 5.5047 5.5047 6.0464 6.0464 6.5014 6.5014 7.7316 7.7316 8.0227 8.0227 8.9656 8.9656 9.4180 9.4180 9.9786 9.9786 10.3984 10.3984 k = 0.5000 0.1894 0.3445 ( 3604 PWs) bands (ev): -41.3545 -41.3545 -41.3157 -41.3157 -20.3568 -20.3568 -20.2792 -20.2792 -19.9107 -19.9107 -19.7868 -19.7868 -19.7514 -19.7514 -19.6606 -19.6606 -0.5329 -0.5329 0.7645 0.7645 3.1354 3.1354 3.7847 3.7847 5.4255 5.4255 6.0524 6.0524 6.4407 6.4407 7.7736 7.7736 8.0281 8.0281 8.9297 8.9297 9.4675 9.4675 9.9750 9.9750 10.4683 10.4723 k = 0.5000 0.1985 0.3317 ( 3604 PWs) bands (ev): -41.3550 -41.3550 -41.3151 -41.3151 -20.3575 -20.3575 -20.2779 -20.2779 -19.9111 -19.9111 -19.7872 -19.7872 -19.7509 -19.7509 -19.6607 -19.6607 -0.5524 -0.5524 0.7634 0.7634 3.2098 3.2098 3.8059 3.8059 5.3421 5.3421 6.0602 6.0602 6.3851 6.3851 7.8134 7.8134 8.0322 8.0322 8.8938 8.8938 9.5217 9.5217 9.9721 9.9721 10.5474 10.5488 k = 0.5000 0.2075 0.3189 ( 3604 PWs) bands (ev): -41.3555 -41.3555 -41.3146 -41.3146 -20.3582 -20.3582 -20.2767 -20.2767 -19.9114 -19.9114 -19.7877 -19.7877 -19.7504 -19.7504 -19.6608 -19.6608 -0.5701 -0.5701 0.7614 0.7614 3.2878 3.2878 3.8246 3.8246 5.2549 5.2549 6.0694 6.0694 6.3352 6.3352 7.8507 7.8507 8.0350 8.0350 8.8585 8.8585 9.5791 9.5791 9.9697 9.9697 10.5786 10.5787 k = 0.5000 0.2165 0.3062 ( 3612 PWs) bands (ev): -41.3560 -41.3560 -41.3142 -41.3142 -20.3588 -20.3588 -20.2757 -20.2757 -19.9117 -19.9117 -19.7882 -19.7882 -19.7499 -19.7499 -19.6609 -19.6609 -0.5860 -0.5860 0.7589 0.7589 3.3685 3.3685 3.8408 3.8408 5.1647 5.1647 6.0795 6.0795 6.2913 6.2913 7.8856 7.8856 8.0368 8.0368 8.8243 8.8243 9.6384 9.6384 9.9677 9.9677 10.6086 10.6086 k = 0.5000 0.2255 0.2934 ( 3602 PWs) bands (ev): -41.3564 -41.3564 -41.3138 -41.3138 -20.3593 -20.3593 -20.2747 -20.2747 -19.9120 -19.9120 -19.7886 -19.7886 -19.7494 -19.7494 -19.6610 -19.6610 -0.6000 -0.6000 0.7560 0.7560 3.4514 3.4514 3.8547 3.8547 5.0725 5.0725 6.0899 6.0899 6.2534 6.2534 7.9176 7.9176 8.0378 8.0378 8.7918 8.7918 9.6981 9.6981 9.9660 9.9660 10.6387 10.6388 k = 0.5000 0.2345 0.2807 ( 3600 PWs) bands (ev): -41.3567 -41.3567 -41.3134 -41.3134 -20.3597 -20.3597 -20.2739 -20.2739 -19.9122 -19.9122 -19.7890 -19.7890 -19.7490 -19.7490 -19.6611 -19.6611 -0.6122 -0.6122 0.7531 0.7531 3.5352 3.5352 3.8665 3.8665 4.9798 4.9798 6.1001 6.1001 6.2213 6.2213 7.9467 7.9467 8.0381 8.0381 8.7616 8.7616 9.7563 9.7563 9.9646 9.9646 10.6690 10.6690 k = 0.5000 0.2436 0.2679 ( 3598 PWs) bands (ev): -41.3570 -41.3570 -41.3131 -41.3131 -20.3600 -20.3600 -20.2732 -20.2732 -19.9123 -19.9123 -19.7894 -19.7894 -19.7486 -19.7486 -19.6612 -19.6612 -0.6225 -0.6225 0.7503 0.7503 3.6185 3.6185 3.8762 3.8762 4.8882 4.8882 6.1097 6.1097 6.1947 6.1947 7.9723 7.9723 8.0380 8.0380 8.7342 8.7342 9.8112 9.8112 9.9635 9.9635 10.6989 10.6989 k = 0.5000 0.2526 0.2552 ( 3606 PWs) bands (ev): -41.3573 -41.3573 -41.3129 -41.3129 -20.3604 -20.3604 -20.2726 -20.2726 -19.9125 -19.9125 -19.7897 -19.7897 -19.7482 -19.7482 -19.6613 -19.6613 -0.6310 -0.6310 0.7478 0.7478 3.6992 3.6992 3.8839 3.8839 4.8003 4.8003 6.1181 6.1181 6.1735 6.1735 7.9942 7.9942 8.0376 8.0376 8.7105 8.7105 9.8606 9.8606 9.9626 9.9626 10.7277 10.7277 k = 0.5000 0.2616 0.2424 ( 3598 PWs) bands (ev): -41.3575 -41.3575 -41.3127 -41.3127 -20.3606 -20.3606 -20.2721 -20.2721 -19.9126 -19.9126 -19.7899 -19.7899 -19.7479 -19.7479 -19.6614 -19.6614 -0.6376 -0.6376 0.7457 0.7457 3.7738 3.7738 3.8898 3.8898 4.7197 4.7197 6.1248 6.1248 6.1576 6.1576 8.0119 8.0119 8.0373 8.0373 8.6910 8.6910 9.9023 9.9023 9.9618 9.9618 10.7544 10.7544 k = 0.5000 0.2706 0.2296 ( 3596 PWs) bands (ev): -41.3576 -41.3576 -41.3126 -41.3126 -20.3608 -20.3608 -20.2718 -20.2718 -19.9127 -19.9127 -19.7901 -19.7901 -19.7477 -19.7477 -19.6614 -19.6614 -0.6423 -0.6423 0.7441 0.7441 3.8371 3.8371 3.8940 3.8940 4.6519 4.6519 6.1290 6.1290 6.1472 6.1472 8.0248 8.0248 8.0372 8.0372 8.6764 8.6764 9.9341 9.9341 9.9613 9.9613 10.7767 10.7769 k = 0.5000 0.2797 0.2169 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2716 -20.2716 -19.9128 -19.9128 -19.7902 -19.7902 -19.7476 -19.7476 -19.6614 -19.6614 -0.6451 -0.6451 0.7432 0.7432 3.8811 3.8811 3.8965 3.8965 4.6051 4.6051 6.1300 6.1300 6.1426 6.1426 8.0318 8.0318 8.0380 8.0380 8.6674 8.6674 9.9539 9.9539 9.9611 9.9611 10.7909 10.7918 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2715 -20.2715 -19.9128 -19.9128 -19.7903 -19.7903 -19.7476 -19.7476 -19.6614 -19.6614 -0.6461 -0.6461 0.7428 0.7428 3.8965 3.8965 3.8980 3.8980 4.5881 4.5881 6.1297 6.1297 6.1418 6.1418 8.0335 8.0335 8.0390 8.0390 8.6643 8.6643 9.9600 9.9600 9.9617 9.9617 10.7947 10.7961 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2715 -20.2715 -19.9128 -19.9128 -19.7903 -19.7903 -19.7476 -19.7476 -19.6614 -19.6614 -0.6461 -0.6461 0.7428 0.7428 3.8965 3.8965 3.8980 3.8980 4.5881 4.5881 6.1297 6.1297 6.1418 6.1418 8.0335 8.0335 8.0390 8.0390 8.6643 8.6643 9.9600 9.9600 9.9617 9.9617 10.7948 10.7949 k = 0.4955 0.2861 0.2187 ( 3600 PWs) bands (ev): -41.3577 -41.3577 -41.3125 -41.3125 -20.3609 -20.3609 -20.2716 -20.2716 -19.9128 -19.9128 -19.7902 -19.7902 -19.7476 -19.7476 -19.6614 -19.6614 -0.6452 -0.6452 0.7431 0.7431 3.8814 3.8814 3.8965 3.8965 4.6048 4.6048 6.1300 6.1300 6.1426 6.1426 8.0319 8.0319 8.0380 8.0380 8.6673 8.6673 9.9541 9.9541 9.9611 9.9611 10.7908 10.7919 k = 0.4911 0.2835 0.2333 ( 3596 PWs) bands (ev): -41.3576 -41.3576 -41.3126 -41.3126 -20.3608 -20.3608 -20.2718 -20.2718 -19.9127 -19.9127 -19.7901 -19.7901 -19.7477 -19.7477 -19.6614 -19.6614 -0.6424 -0.6424 0.7441 0.7441 3.8382 3.8382 3.8941 3.8941 4.6507 4.6507 6.1291 6.1291 6.1470 6.1470 8.0250 8.0250 8.0373 8.0373 8.6762 8.6762 9.9346 9.9346 9.9613 9.9613 10.7769 10.7770 k = 0.4866 0.2809 0.2479 ( 3601 PWs) bands (ev): -41.3575 -41.3575 -41.3127 -41.3127 -20.3606 -20.3606 -20.2721 -20.2721 -19.9126 -19.9126 -19.7900 -19.7900 -19.7479 -19.7479 -19.6614 -19.6614 -0.6378 -0.6378 0.7456 0.7456 3.7758 3.7758 3.8902 3.8902 4.7173 4.7173 6.1253 6.1253 6.1569 6.1569 8.0123 8.0123 8.0374 8.0374 8.6904 8.6904 9.9036 9.9036 9.9616 9.9616 10.7544 10.7545 k = 0.4821 0.2784 0.2624 ( 3607 PWs) bands (ev): -41.3573 -41.3573 -41.3129 -41.3129 -20.3604 -20.3604 -20.2726 -20.2726 -19.9125 -19.9125 -19.7897 -19.7897 -19.7482 -19.7482 -19.6613 -19.6613 -0.6313 -0.6313 0.7477 0.7477 3.7020 3.7020 3.8848 3.8848 4.7965 4.7965 6.1195 6.1195 6.1718 6.1718 7.9947 7.9947 8.0379 8.0379 8.7095 8.7095 9.8630 9.8630 9.9619 9.9619 10.7266 10.7266 k = 0.4777 0.2758 0.2770 ( 3601 PWs) bands (ev): -41.3570 -41.3570 -41.3131 -41.3131 -20.3601 -20.3601 -20.2732 -20.2732 -19.9124 -19.9124 -19.7894 -19.7894 -19.7485 -19.7485 -19.6612 -19.6612 -0.6230 -0.6230 0.7502 0.7502 3.6219 3.6219 3.8779 3.8779 4.8826 4.8826 6.1129 6.1129 6.1912 6.1912 7.9727 7.9727 8.0387 8.0387 8.7329 8.7329 9.8152 9.8152 9.9619 9.9619 10.6948 10.6948 k = 0.4732 0.2732 0.2916 ( 3605 PWs) bands (ev): -41.3567 -41.3567 -41.3134 -41.3134 -20.3597 -20.3597 -20.2739 -20.2739 -19.9122 -19.9122 -19.7890 -19.7890 -19.7489 -19.7489 -19.6611 -19.6611 -0.6129 -0.6129 0.7529 0.7529 3.5388 3.5388 3.8699 3.8699 4.9716 4.9716 6.1067 6.1067 6.2149 6.2149 7.9466 7.9466 8.0397 8.0397 8.7598 8.7598 9.7624 9.7624 9.9613 9.9613 10.6593 10.6593 k = 0.4688 0.2706 0.3062 ( 3601 PWs) bands (ev): -41.3564 -41.3564 -41.3138 -41.3138 -20.3593 -20.3593 -20.2747 -20.2747 -19.9120 -19.9120 -19.7886 -19.7886 -19.7494 -19.7494 -19.6610 -19.6610 -0.6010 -0.6010 0.7558 0.7558 3.4549 3.4549 3.8606 3.8606 5.0602 5.0602 6.1026 6.1026 6.2426 6.2426 7.9165 7.9165 8.0410 8.0410 8.7895 8.7895 9.7070 9.7070 9.9598 9.9598 10.6194 10.6194 k = 0.4643 0.2681 0.3208 ( 3607 PWs) bands (ev): -41.3560 -41.3560 -41.3141 -41.3141 -20.3588 -20.3588 -20.2756 -20.2756 -19.9117 -19.9117 -19.7882 -19.7882 -19.7498 -19.7498 -19.6609 -19.6609 -0.5872 -0.5872 0.7586 0.7586 3.3714 3.3714 3.8502 3.8502 5.1453 5.1453 6.1025 6.1025 6.2741 6.2741 7.8826 7.8826 8.0422 8.0422 8.8213 8.8213 9.6507 9.6507 9.9571 9.9571 10.5744 10.5744 k = 0.4598 0.2655 0.3353 ( 3602 PWs) bands (ev): -41.3556 -41.3556 -41.3146 -41.3146 -20.3582 -20.3582 -20.2766 -20.2766 -19.9114 -19.9114 -19.7878 -19.7878 -19.7503 -19.7503 -19.6608 -19.6608 -0.5717 -0.5717 0.7612 0.7612 3.2895 3.2895 3.8390 3.8390 5.2237 5.2237 6.1091 6.1091 6.3093 6.3093 7.8450 7.8450 8.0437 8.0437 8.8546 8.8546 9.5956 9.5956 9.9526 9.9526 10.5236 10.5236 k = 0.4554 0.2629 0.3499 ( 3602 PWs) bands (ev): -41.3551 -41.3551 -41.3151 -41.3151 -20.3576 -20.3576 -20.2778 -20.2778 -19.9111 -19.9111 -19.7873 -19.7873 -19.7508 -19.7508 -19.6607 -19.6607 -0.5543 -0.5543 0.7631 0.7631 3.2098 3.2098 3.8270 3.8270 5.2921 5.2921 6.1254 6.1254 6.3480 6.3480 7.8036 7.8036 8.0452 8.0452 8.8886 8.8886 9.5432 9.5432 9.9461 9.9461 10.4674 10.4674 k = 0.4509 0.2603 0.3645 ( 3605 PWs) bands (ev): -41.3545 -41.3545 -41.3156 -41.3156 -20.3569 -20.3569 -20.2790 -20.2790 -19.9108 -19.9108 -19.7870 -19.7870 -19.7512 -19.7512 -19.6606 -19.6606 -0.5352 -0.5352 0.7643 0.7643 3.1331 3.1331 3.8144 3.8144 5.3473 5.3473 6.1542 6.1542 6.3899 6.3899 7.7584 7.7584 8.0468 8.0468 8.9225 8.9225 9.4950 9.4950 9.9372 9.9372 10.4068 10.4068 k = 0.4464 0.2577 0.3791 ( 3607 PWs) bands (ev): -41.3540 -41.3540 -41.3162 -41.3162 -20.3561 -20.3561 -20.2804 -20.2804 -19.9104 -19.9104 -19.7867 -19.7867 -19.7515 -19.7515 -19.6606 -19.6606 -0.5144 -0.5144 0.7642 0.7642 3.0599 3.0599 3.8013 3.8013 5.3870 5.3870 6.1976 6.1976 6.4349 6.4349 7.7096 7.7096 8.0484 8.0484 8.9554 8.9554 9.4524 9.4524 9.9255 9.9255 10.3435 10.3435 k = 0.4420 0.2552 0.3937 ( 3605 PWs) bands (ev): -41.3533 -41.3533 -41.3168 -41.3168 -20.3553 -20.3553 -20.2818 -20.2818 -19.9100 -19.9100 -19.7864 -19.7864 -19.7518 -19.7518 -19.6605 -19.6605 -0.4918 -0.4918 0.7627 0.7627 2.9907 2.9907 3.7879 3.7879 5.4111 5.4111 6.2557 6.2557 6.4829 6.4829 7.6572 7.6572 8.0501 8.0501 8.9860 8.9860 9.4167 9.4167 9.9108 9.9108 10.2792 10.2792 k = 0.4375 0.2526 0.4082 ( 3607 PWs) bands (ev): -41.3527 -41.3527 -41.3175 -41.3175 -20.3544 -20.3544 -20.2833 -20.2833 -19.9095 -19.9095 -19.7863 -19.7863 -19.7519 -19.7519 -19.6604 -19.6604 -0.4676 -0.4676 0.7592 0.7592 2.9261 2.9261 3.7743 3.7743 5.4209 5.4209 6.3266 6.3266 6.5335 6.5335 7.6017 7.6017 8.0517 8.0517 9.0133 9.0133 9.3891 9.3891 9.8931 9.8931 10.2153 10.2153 k = 0.4330 0.2500 0.4228 ( 3599 PWs) bands (ev): -41.3520 -41.3520 -41.3182 -41.3182 -20.3534 -20.3534 -20.2848 -20.2848 -19.9090 -19.9090 -19.7864 -19.7864 -19.7519 -19.7519 -19.6604 -19.6604 -0.4417 -0.4417 0.7535 0.7535 2.8665 2.8665 3.7606 3.7606 5.4191 5.4191 6.4073 6.4073 6.5865 6.5865 7.5437 7.5437 8.0533 8.0533 9.0358 9.0358 9.3703 9.3703 9.8725 9.8725 10.1536 10.1536 k = 0.4286 0.2474 0.4374 ( 3605 PWs) bands (ev): -41.3512 -41.3512 -41.3189 -41.3189 -20.3524 -20.3524 -20.2865 -20.2865 -19.9085 -19.9085 -19.7866 -19.7866 -19.7518 -19.7518 -19.6604 -19.6604 -0.4141 -0.4141 0.7452 0.7452 2.8123 2.8123 3.7469 3.7469 5.4085 5.4085 6.4942 6.4942 6.6418 6.6418 7.4841 7.4841 8.0548 8.0548 9.0529 9.0529 9.3603 9.3603 9.8492 9.8492 10.0954 10.0954 k = 0.4241 0.2449 0.4520 ( 3597 PWs) bands (ev): -41.3505 -41.3505 -41.3197 -41.3197 -20.3514 -20.3514 -20.2881 -20.2881 -19.9080 -19.9080 -19.7870 -19.7870 -19.7514 -19.7514 -19.6604 -19.6604 -0.3851 -0.3851 0.7340 0.7340 2.7640 2.7640 3.7335 3.7335 5.3915 5.3915 6.5835 6.5835 6.6990 6.6990 7.4244 7.4244 8.0561 8.0561 9.0649 9.0649 9.3575 9.3575 9.8233 9.8233 10.0426 10.0426 k = 0.4196 0.2423 0.4666 ( 3597 PWs) bands (ev): -41.3496 -41.3496 -41.3205 -41.3205 -20.3502 -20.3502 -20.2899 -20.2899 -19.9074 -19.9074 -19.7876 -19.7876 -19.7509 -19.7509 -19.6604 -19.6604 -0.3546 -0.3546 0.7195 0.7195 2.7219 2.7219 3.7202 3.7202 5.3701 5.3701 6.6707 6.6707 6.7579 6.7579 7.3674 7.3674 8.0573 8.0573 9.0729 9.0729 9.3591 9.3591 9.7954 9.7954 9.9972 9.9972 k = 0.4152 0.2397 0.4811 ( 3594 PWs) bands (ev): -41.3488 -41.3488 -41.3213 -41.3213 -20.3491 -20.3491 -20.2916 -20.2916 -19.9068 -19.9068 -19.7884 -19.7884 -19.7501 -19.7501 -19.6605 -19.6605 -0.3227 -0.3227 0.7017 0.7017 2.6863 2.6863 3.7074 3.7074 5.3458 5.3458 6.7495 6.7495 6.8182 6.8182 7.3181 7.3181 8.0584 8.0584 9.0789 9.0789 9.3613 9.3613 9.7657 9.7657 9.9613 9.9613 k = 0.4107 0.2371 0.4957 ( 3592 PWs) bands (ev): -41.3480 -41.3480 -41.3222 -41.3222 -20.3479 -20.3479 -20.2934 -20.2934 -19.9062 -19.9062 -19.7894 -19.7894 -19.7492 -19.7492 -19.6606 -19.6606 -0.2897 -0.2897 0.6804 0.6804 2.6573 2.6573 3.6950 3.6950 5.3197 5.3197 6.8097 6.8097 6.8795 6.8795 7.2856 7.2856 8.0594 8.0594 9.0846 9.0846 9.3606 9.3606 9.7348 9.7348 9.9369 9.9369 k = 0.4062 0.2345 0.5103 ( 3584 PWs) bands (ev): -41.3471 -41.3471 -41.3231 -41.3231 -20.3466 -20.3466 -20.2952 -20.2952 -19.9055 -19.9055 -19.7905 -19.7905 -19.7481 -19.7481 -19.6607 -19.6607 -0.2555 -0.2555 0.6556 0.6556 2.6351 2.6351 3.6832 3.6832 5.2927 5.2927 6.8379 6.8379 6.9414 6.9414 7.2825 7.2825 8.0603 8.0603 9.0914 9.0914 9.3546 9.3546 9.7031 9.7031 9.9252 9.9252 k = 0.4018 0.2320 0.5249 ( 3585 PWs) bands (ev): -41.3462 -41.3462 -41.3239 -41.3239 -20.3454 -20.3454 -20.2970 -20.2970 -19.9048 -19.9048 -19.7918 -19.7918 -19.7469 -19.7469 -19.6609 -19.6609 -0.2207 -0.2207 0.6277 0.6277 2.6195 2.6195 3.6719 3.6719 5.2654 5.2654 6.8275 6.8275 7.0035 7.0035 7.3145 7.3145 8.0614 8.0614 9.0999 9.0999 9.3426 9.3426 9.6710 9.6710 9.9262 9.9262 k = 0.3973 0.2294 0.5395 ( 3581 PWs) bands (ev): -41.3453 -41.3453 -41.3248 -41.3248 -20.3441 -20.3441 -20.2987 -20.2987 -19.9041 -19.9041 -19.7933 -19.7933 -19.7455 -19.7455 -19.6611 -19.6611 -0.1854 -0.1854 0.5970 0.5970 2.6106 2.6106 3.6614 3.6614 5.2383 5.2383 6.7871 6.7871 7.0653 7.0653 7.3724 7.3724 8.0627 8.0627 9.1105 9.1105 9.3259 9.3259 9.6389 9.6389 9.9386 9.9386 k = 0.3929 0.2268 0.5541 ( 3580 PWs) bands (ev): -41.3445 -41.3445 -41.3257 -41.3257 -20.3429 -20.3429 -20.3003 -20.3003 -19.9034 -19.9034 -19.7949 -19.7949 -19.7440 -19.7440 -19.6613 -19.6613 -0.1502 -0.1502 0.5642 0.5642 2.6079 2.6079 3.6517 3.6517 5.2119 5.2119 6.7291 6.7291 7.1259 7.1259 7.4429 7.4429 8.0646 8.0646 9.1231 9.1231 9.3070 9.3070 9.6072 9.6072 9.9602 9.9602 k = 0.3884 0.2242 0.5686 ( 3582 PWs) bands (ev): -41.3437 -41.3437 -41.3265 -41.3265 -20.3417 -20.3417 -20.3019 -20.3019 -19.9027 -19.9027 -19.7967 -19.7967 -19.7424 -19.7424 -19.6616 -19.6616 -0.1160 -0.1160 0.5304 0.5304 2.6114 2.6114 3.6428 3.6428 5.1865 5.1865 6.6618 6.6618 7.1846 7.1846 7.5169 7.5169 8.0676 8.0676 9.1364 9.1364 9.2896 9.2896 9.5763 9.5763 9.9888 9.9888 k = 0.3839 0.2217 0.5832 ( 3584 PWs) bands (ev): -41.3429 -41.3429 -41.3273 -41.3273 -20.3406 -20.3406 -20.3033 -20.3033 -19.9019 -19.9019 -19.7986 -19.7986 -19.7407 -19.7407 -19.6620 -19.6620 -0.0839 -0.0839 0.4971 0.4971 2.6205 2.6205 3.6347 3.6347 5.1623 5.1623 6.5897 6.5897 7.2405 7.2405 7.5890 7.5890 8.0723 8.0723 9.1482 9.1482 9.2785 9.2785 9.5465 9.5465 10.0224 10.0224 k = 0.3795 0.2191 0.5978 ( 3576 PWs) bands (ev): -41.3422 -41.3422 -41.3279 -41.3279 -20.3396 -20.3396 -20.3046 -20.3046 -19.9011 -19.9011 -19.8005 -19.8005 -19.7389 -19.7389 -19.6624 -19.6624 -0.0558 -0.0558 0.4664 0.4664 2.6349 2.6349 3.6277 3.6277 5.1395 5.1395 6.5152 6.5152 7.2922 7.2922 7.6560 7.6560 8.0794 8.0794 9.1546 9.1546 9.2792 9.2792 9.5180 9.5180 10.0593 10.0593 k = 0.3750 0.2165 0.6124 ( 3580 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8025 -19.8025 -19.7371 -19.7371 -19.6628 -19.6628 -0.0345 -0.0345 0.4414 0.4414 2.6543 2.6543 3.6215 3.6215 5.1182 5.1182 6.4397 6.4397 7.3385 7.3385 7.7156 7.7156 8.0898 8.0898 9.1539 9.1539 9.2945 9.2945 9.4911 9.4911 10.0984 10.0984 k = 0.6250-0.0722 0.4082 ( 3580 PWs) bands (ev): -41.3417 -41.3417 -41.3285 -41.3285 -20.3388 -20.3388 -20.3056 -20.3056 -19.9003 -19.9003 -19.8025 -19.8025 -19.7371 -19.7371 -19.6628 -19.6628 -0.0345 -0.0345 0.4414 0.4414 2.6543 2.6543 3.6215 3.6215 5.1182 5.1182 6.4397 6.4397 7.3385 7.3385 7.7156 7.7156 8.0898 8.0898 9.1539 9.1539 9.2945 9.2945 9.4911 9.4911 10.0984 10.0984 k = 0.6172-0.0857 0.4082 ( 3576 PWs) bands (ev): -41.3409 -41.3409 -41.3292 -41.3292 -20.3376 -20.3376 -20.3071 -20.3071 -19.8988 -19.8988 -19.8062 -19.8062 -19.7339 -19.7339 -19.6636 -19.6636 -0.0063 -0.0063 0.4057 0.4057 2.6952 2.6952 3.6121 3.6121 5.0828 5.0828 6.3071 6.3071 7.4143 7.4143 7.8137 7.8137 8.1114 8.1114 9.1439 9.1439 9.3346 9.3346 9.4461 9.4461 10.1653 10.1653 k = 0.6094-0.0992 0.4082 ( 3594 PWs) bands (ev): -41.3402 -41.3402 -41.3299 -41.3299 -20.3365 -20.3365 -20.3085 -20.3085 -19.8972 -19.8972 -19.8099 -19.8099 -19.7306 -19.7306 -19.6647 -19.6647 0.0188 0.0188 0.3724 0.3724 2.7421 2.7421 3.6034 3.6034 5.0488 5.0488 6.1741 6.1741 7.4907 7.4907 7.9138 7.9138 8.1324 8.1324 9.1303 9.1303 9.3715 9.3715 9.4025 9.4025 10.2249 10.2249 k = 0.6016-0.1128 0.4082 ( 3594 PWs) bands (ev): -41.3395 -41.3395 -41.3306 -41.3306 -20.3354 -20.3354 -20.3099 -20.3099 -19.8955 -19.8955 -19.8137 -19.8137 -19.7274 -19.7274 -19.6657 -19.6657 0.0409 0.0409 0.3413 0.3413 2.7946 2.7946 3.5954 3.5954 5.0164 5.0164 6.0414 6.0414 7.5676 7.5676 8.0159 8.0159 8.1531 8.1531 9.1165 9.1165 9.3593 9.3593 9.4027 9.4027 10.2742 10.2742 k = 0.5938-0.1263 0.4082 ( 3594 PWs) bands (ev): -41.3389 -41.3389 -41.3313 -41.3313 -20.3343 -20.3343 -20.3112 -20.3112 -19.8936 -19.8936 -19.8175 -19.8175 -19.7241 -19.7241 -19.6669 -19.6669 0.0603 0.0603 0.3125 0.3125 2.8523 2.8523 3.5881 3.5881 4.9857 4.9857 5.9097 5.9097 7.6448 7.6448 8.1197 8.1197 8.1733 8.1733 9.1033 9.1033 9.3185 9.3185 9.4252 9.4252 10.2761 10.2762 k = 0.5859-0.1398 0.4082 ( 3592 PWs) bands (ev): -41.3383 -41.3383 -41.3319 -41.3319 -20.3332 -20.3332 -20.3124 -20.3124 -19.8916 -19.8916 -19.8214 -19.8214 -19.7209 -19.7209 -19.6682 -19.6682 0.0771 0.0771 0.2860 0.2860 2.9146 2.9146 3.5815 3.5815 4.9569 4.9569 5.7797 5.7797 7.7219 7.7219 8.1930 8.1930 8.2253 8.2253 9.0912 9.0912 9.2793 9.2793 9.4402 9.4402 10.1870 10.1870 k = 0.5781-0.1534 0.4082 ( 3576 PWs) bands (ev): -41.3378 -41.3378 -41.3324 -41.3324 -20.3322 -20.3322 -20.3135 -20.3135 -19.8894 -19.8894 -19.8251 -19.8251 -19.7176 -19.7176 -19.6695 -19.6695 0.0915 0.0915 0.2619 0.2619 2.9810 2.9810 3.5755 3.5755 4.9303 4.9303 5.6517 5.6517 7.7986 7.7986 8.2122 8.2122 8.3325 8.3325 9.0804 9.0804 9.2421 9.2421 9.4485 9.4485 10.0986 10.0986 k = 0.5703-0.1669 0.4082 ( 3580 PWs) bands (ev): -41.3373 -41.3373 -41.3329 -41.3329 -20.3312 -20.3312 -20.3146 -20.3146 -19.8871 -19.8871 -19.8290 -19.8290 -19.7145 -19.7145 -19.6710 -19.6710 0.1037 0.1037 0.2400 0.2400 3.0506 3.0506 3.5702 3.5702 4.9057 4.9057 5.5267 5.5267 7.8744 7.8744 8.2307 8.2307 8.4410 8.4410 9.0708 9.0708 9.2069 9.2069 9.4513 9.4513 10.0116 10.0116 k = 0.5625-0.1804 0.4082 ( 3572 PWs) bands (ev): -41.3368 -41.3368 -41.3334 -41.3334 -20.3302 -20.3302 -20.3157 -20.3157 -19.8847 -19.8847 -19.8328 -19.8328 -19.7114 -19.7114 -19.6726 -19.6726 0.1140 0.1140 0.2204 0.2204 3.1225 3.1225 3.5655 3.5655 4.8835 4.8835 5.4056 5.4056 7.9487 7.9487 8.2484 8.2484 8.5510 8.5510 9.0626 9.0626 9.1741 9.1741 9.4501 9.4501 9.9268 9.9268 k = 0.5547-0.1940 0.4082 ( 3572 PWs) bands (ev): -41.3364 -41.3364 -41.3338 -41.3338 -20.3292 -20.3292 -20.3167 -20.3167 -19.8822 -19.8822 -19.8365 -19.8365 -19.7084 -19.7084 -19.6743 -19.6743 0.1225 0.1225 0.2031 0.2031 3.1956 3.1956 3.5614 3.5614 4.8637 4.8637 5.2893 5.2893 8.0207 8.0207 8.2650 8.2650 8.6620 8.6620 9.0555 9.0555 9.1439 9.1439 9.4461 9.4461 9.8451 9.8451 k = 0.5469-0.2075 0.4082 ( 3584 PWs) bands (ev): -41.3361 -41.3361 -41.3341 -41.3341 -20.3283 -20.3283 -20.3177 -20.3177 -19.8796 -19.8796 -19.8403 -19.8403 -19.7054 -19.7054 -19.6762 -19.6762 0.1294 0.1294 0.1881 0.1881 3.2683 3.2683 3.5578 3.5578 4.8464 4.8464 5.1793 5.1793 8.0892 8.0892 8.2802 8.2802 8.7741 8.7741 9.0495 9.0495 9.1167 9.1167 9.4405 9.4405 9.7678 9.7678 k = 0.5391-0.2210 0.4082 ( 3568 PWs) bands (ev): -41.3358 -41.3358 -41.3344 -41.3344 -20.3274 -20.3274 -20.3186 -20.3186 -19.8768 -19.8768 -19.8439 -19.8439 -19.7025 -19.7025 -19.6781 -19.6781 0.1350 0.1350 0.1754 0.1754 3.3388 3.3388 3.5549 3.5549 4.8316 4.8316 5.0776 5.0776 8.1532 8.1532 8.2940 8.2940 8.8869 8.8869 9.0448 9.0448 9.0928 9.0928 9.4343 9.4343 9.6963 9.6963 k = 0.5312-0.2345 0.4082 ( 3572 PWs) bands (ev): -41.3355 -41.3355 -41.3346 -41.3346 -20.3265 -20.3265 -20.3196 -20.3196 -19.8739 -19.8739 -19.8476 -19.8476 -19.6996 -19.6996 -19.6801 -19.6801 0.1393 0.1393 0.1651 0.1651 3.4045 3.4045 3.5525 3.5525 4.8195 4.8195 4.9863 4.9863 8.2106 8.2106 8.3059 8.3059 9.0000 9.0000 9.0412 9.0412 9.0726 9.0726 9.4282 9.4282 9.6326 9.6326 k = 0.5234-0.2481 0.4082 ( 3572 PWs) bands (ev): -41.3353 -41.3353 -41.3348 -41.3348 -20.3256 -20.3256 -20.3205 -20.3205 -19.8710 -19.8710 -19.8512 -19.8512 -19.6969 -19.6969 -19.6822 -19.6822 0.1426 0.1426 0.1570 0.1570 3.4623 3.4623 3.5506 3.5506 4.8099 4.8099 4.9089 4.9089 8.2592 8.2592 8.3156 8.3156 9.0381 9.0381 9.0561 9.0561 9.1141 9.1141 9.4228 9.4228 9.5790 9.5790 k = 0.5156-0.2616 0.4082 ( 3572 PWs) bands (ev): -41.3352 -41.3352 -41.3350 -41.3350 -20.3248 -20.3248 -20.3213 -20.3213 -19.8679 -19.8679 -19.8547 -19.8547 -19.6942 -19.6942 -19.6844 -19.6844 0.1448 0.1448 0.1512 0.1512 3.5081 3.5081 3.5493 3.5493 4.8031 4.8031 4.8490 4.8490 8.2967 8.2967 8.3227 8.3227 9.0362 9.0362 9.0443 9.0443 9.2269 9.2269 9.4187 9.4187 9.5379 9.5379 k = 0.5078-0.2751 0.4082 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3239 -20.3239 -20.3222 -20.3222 -19.8647 -19.8647 -19.8581 -19.8581 -19.6916 -19.6916 -19.6867 -19.6867 0.1461 0.1461 0.1478 0.1478 3.5378 3.5378 3.5485 3.5485 4.7990 4.7990 4.8108 4.8108 8.3205 8.3205 8.3272 8.3272 9.0350 9.0350 9.0371 9.0371 9.3370 9.3370 9.4161 9.4161 9.5119 9.5119 k = 0.5000-0.2887 0.4082 ( 3572 PWs) bands (ev): -41.3351 -41.3351 -41.3351 -41.3351 -20.3231 -20.3231 -20.3231 -20.3231 -19.8614 -19.8614 -19.8614 -19.8614 -19.6891 -19.6891 -19.6891 -19.6891 0.1466 0.1466 0.1466 0.1466 3.5482 3.5482 3.5482 3.5482 4.7977 4.7977 4.7977 4.7977 8.3287 8.3287 8.3287 8.3287 9.0346 9.0346 9.0346 9.0346 9.4149 9.4149 9.4149 9.4149 9.5033 9.5033 Writing output data file ScB2.save init_run : 0.20s CPU 0.33s WALL ( 1 calls) electrons : 192.69s CPU 195.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 192.68s CPU 195.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 301 calls) cegterg : 179.31s CPU 182.03s WALL ( 823 calls) Called by sum_band: Called by *egterg: h_psi : 104.09s CPU 105.52s WALL ( 15014 calls) s_psi : 4.05s CPU 4.07s WALL ( 15014 calls) g_psi : 0.22s CPU 0.21s WALL ( 13890 calls) cdiaghg : 67.85s CPU 69.24s WALL ( 14191 calls) cegterg:over : 4.89s CPU 4.95s WALL ( 13890 calls) cegterg:upda : 4.28s CPU 4.38s WALL ( 13890 calls) cegterg:last : 2.10s CPU 2.13s WALL ( 1717 calls) cdiaghg:chol : 3.77s CPU 3.67s WALL ( 14191 calls) cdiaghg:inve : 1.93s CPU 2.09s WALL ( 14191 calls) cdiaghg:para : 4.02s CPU 3.84s WALL ( 28382 calls) Called by h_psi: h_psi:vloc : 93.94s CPU 95.17s WALL ( 15014 calls) h_psi:vnl : 9.94s CPU 10.13s WALL ( 15014 calls) add_vuspsi : 4.96s CPU 4.93s WALL ( 15014 calls) General routines calbec : 4.96s CPU 5.17s WALL ( 15014 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.23s CPU 89.18s WALL ( 878484 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.18s WALL ( 602 calls) Parallel routines fft_scatter : 28.40s CPU 28.93s WALL ( 878507 calls) PWSCF : 3m23.63s CPU 3m35.22s WALL This run was terminated on: 13:48:31 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=