Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:20 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: ./Y2O3.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 29 17 5 1271 553 92 Max 30 18 7 1280 578 98 Sum 1069 637 199 45939 20269 3393 bravais-lattice index = 14 lattice parameter (alat) = 6.9693 a.u. unit-cell volume = 467.3179 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.969309 celldm(2)= 1.000000 celldm(3)= 1.594089 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.594089 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.627318 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Y 11.00 88.90590 Y( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027624 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027624 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027624 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027624 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027624 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027624 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027624 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027624 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027624 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027624 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027624 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027624 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027624 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027624 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027624 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027624 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027624 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027624 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027624 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027624 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027624 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027624 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027624 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027624 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027624 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027624 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027624 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027624 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027624 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027624 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027624 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027624 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027624 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027624 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027624 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027624 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027624 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027624 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027624 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027624 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027624 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027624 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027624 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027624 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027624 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027624 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027624 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027624 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027624 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027624 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027624 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027624 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027624 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027624 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027624 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027624 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027624 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027624 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027624 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027624 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027624 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027624 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027624 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027624 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027624 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027624 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027624 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027624 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027624 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027624 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027624 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027624 k( 83) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0027624 k( 84) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0027624 k( 85) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0027624 k( 86) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0027624 k( 87) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0027624 k( 88) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0027624 k( 89) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0027624 k( 90) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0027624 k( 91) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0027624 k( 92) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0027624 k( 93) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0027624 k( 94) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0027624 k( 95) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0027624 k( 96) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0027624 k( 97) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0027624 k( 98) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0027624 k( 99) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0027624 k( 100) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0027624 k( 101) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027624 k( 102) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0027624 k( 103) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0027624 k( 104) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0027624 k( 105) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0027624 k( 106) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0027624 k( 107) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0027624 k( 108) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0027624 k( 109) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0027624 k( 110) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0027624 k( 111) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0027624 k( 112) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0027624 k( 113) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0027624 k( 114) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0027624 k( 115) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0027624 k( 116) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0027624 k( 117) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0027624 k( 118) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0027624 k( 119) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0027624 k( 120) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027624 k( 121) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0027624 k( 122) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0027624 k( 123) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0027624 k( 124) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0027624 k( 125) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0027624 k( 126) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0027624 k( 127) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0027624 k( 128) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0027624 k( 129) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0027624 k( 130) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0027624 k( 131) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0027624 k( 132) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0027624 k( 133) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0027624 k( 134) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0027624 k( 135) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0027624 k( 136) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0027624 k( 137) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0027624 k( 138) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0027624 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 141) = ( 0.0000000 0.0000000 0.0116170), wk = 0.0027624 k( 142) = ( 0.0000000 0.0000000 0.0232340), wk = 0.0027624 k( 143) = ( 0.0000000 0.0000000 0.0348510), wk = 0.0027624 k( 144) = ( 0.0000000 0.0000000 0.0464680), wk = 0.0027624 k( 145) = ( 0.0000000 0.0000000 0.0580850), wk = 0.0027624 k( 146) = ( 0.0000000 0.0000000 0.0697020), wk = 0.0027624 k( 147) = ( 0.0000000 0.0000000 0.0813189), wk = 0.0027624 k( 148) = ( 0.0000000 0.0000000 0.0929359), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.1045529), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.1161699), wk = 0.0027624 k( 151) = ( 0.0000000 0.0000000 0.1277869), wk = 0.0027624 k( 152) = ( 0.0000000 0.0000000 0.1394039), wk = 0.0027624 k( 153) = ( 0.0000000 0.0000000 0.1510209), wk = 0.0027624 k( 154) = ( 0.0000000 0.0000000 0.1626379), wk = 0.0027624 k( 155) = ( 0.0000000 0.0000000 0.1742549), wk = 0.0027624 k( 156) = ( 0.0000000 0.0000000 0.1858719), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.1974889), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.2091059), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.2207228), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.2323398), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.2439568), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.2555738), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.2671908), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.2788078), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.2904248), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.3020418), wk = 0.0027624 k( 167) = ( 0.0000000 0.0000000 0.3136588), wk = 0.0027624 k( 168) = ( 0.0000000 0.0000000 0.3136588), wk = 0.0027624 k( 169) = ( 0.0100000 0.0057735 0.3136588), wk = 0.0027624 k( 170) = ( 0.0200000 0.0115470 0.3136588), wk = 0.0027624 k( 171) = ( 0.0300000 0.0173205 0.3136588), wk = 0.0027624 k( 172) = ( 0.0400000 0.0230940 0.3136588), wk = 0.0027624 k( 173) = ( 0.0500000 0.0288675 0.3136588), wk = 0.0027624 k( 174) = ( 0.0600000 0.0346410 0.3136588), wk = 0.0027624 k( 175) = ( 0.0700000 0.0404145 0.3136588), wk = 0.0027624 k( 176) = ( 0.0800000 0.0461880 0.3136588), wk = 0.0027624 k( 177) = ( 0.0900000 0.0519615 0.3136588), wk = 0.0027624 k( 178) = ( 0.1000000 0.0577350 0.3136588), wk = 0.0027624 k( 179) = ( 0.1100000 0.0635085 0.3136588), wk = 0.0027624 k( 180) = ( 0.1200000 0.0692820 0.3136588), wk = 0.0027624 k( 181) = ( 0.1300000 0.0750555 0.3136588), wk = 0.0027624 k( 182) = ( 0.1400000 0.0808290 0.3136588), wk = 0.0027624 k( 183) = ( 0.1500000 0.0866025 0.3136588), wk = 0.0027624 k( 184) = ( 0.1600000 0.0923760 0.3136588), wk = 0.0027624 k( 185) = ( 0.1700000 0.0981495 0.3136588), wk = 0.0027624 k( 186) = ( 0.1800000 0.1039230 0.3136588), wk = 0.0027624 k( 187) = ( 0.1900000 0.1096966 0.3136588), wk = 0.0027624 k( 188) = ( 0.2000000 0.1154701 0.3136588), wk = 0.0027624 k( 189) = ( 0.2100000 0.1212436 0.3136588), wk = 0.0027624 k( 190) = ( 0.2200000 0.1270171 0.3136588), wk = 0.0027624 k( 191) = ( 0.2300000 0.1327906 0.3136588), wk = 0.0027624 k( 192) = ( 0.2400000 0.1385641 0.3136588), wk = 0.0027624 k( 193) = ( 0.2500000 0.1443376 0.3136588), wk = 0.0027624 k( 194) = ( 0.2600000 0.1501111 0.3136588), wk = 0.0027624 k( 195) = ( 0.2700000 0.1558846 0.3136588), wk = 0.0027624 k( 196) = ( 0.2800000 0.1616581 0.3136588), wk = 0.0027624 k( 197) = ( 0.2900000 0.1674316 0.3136588), wk = 0.0027624 k( 198) = ( 0.3000000 0.1732051 0.3136588), wk = 0.0027624 k( 199) = ( 0.3100000 0.1789786 0.3136588), wk = 0.0027624 k( 200) = ( 0.3200000 0.1847521 0.3136588), wk = 0.0027624 k( 201) = ( 0.3300000 0.1905256 0.3136588), wk = 0.0027624 k( 202) = ( 0.3400000 0.1962991 0.3136588), wk = 0.0027624 k( 203) = ( 0.3500000 0.2020726 0.3136588), wk = 0.0027624 k( 204) = ( 0.3600000 0.2078461 0.3136588), wk = 0.0027624 k( 205) = ( 0.3700000 0.2136196 0.3136588), wk = 0.0027624 k( 206) = ( 0.3800000 0.2193931 0.3136588), wk = 0.0027624 k( 207) = ( 0.3900000 0.2251666 0.3136588), wk = 0.0027624 k( 208) = ( 0.4000000 0.2309401 0.3136588), wk = 0.0027624 k( 209) = ( 0.4100000 0.2367136 0.3136588), wk = 0.0027624 k( 210) = ( 0.4200000 0.2424871 0.3136588), wk = 0.0027624 k( 211) = ( 0.4300000 0.2482606 0.3136588), wk = 0.0027624 k( 212) = ( 0.4400000 0.2540341 0.3136588), wk = 0.0027624 k( 213) = ( 0.4500000 0.2598076 0.3136588), wk = 0.0027624 k( 214) = ( 0.4600000 0.2655811 0.3136588), wk = 0.0027624 k( 215) = ( 0.4700000 0.2713546 0.3136588), wk = 0.0027624 k( 216) = ( 0.4800000 0.2771281 0.3136588), wk = 0.0027624 k( 217) = ( 0.4900000 0.2829016 0.3136588), wk = 0.0027624 k( 218) = ( 0.5000000 0.2886751 0.3136588), wk = 0.0027624 k( 219) = ( 0.5000000 0.2886751 0.3136588), wk = 0.0027624 k( 220) = ( 0.4942529 0.2986294 0.3136588), wk = 0.0027624 k( 221) = ( 0.4885058 0.3085838 0.3136588), wk = 0.0027624 k( 222) = ( 0.4827586 0.3185381 0.3136588), wk = 0.0027624 k( 223) = ( 0.4770115 0.3284924 0.3136588), wk = 0.0027624 k( 224) = ( 0.4712644 0.3384467 0.3136588), wk = 0.0027624 k( 225) = ( 0.4655172 0.3484010 0.3136588), wk = 0.0027624 k( 226) = ( 0.4597701 0.3583553 0.3136588), wk = 0.0027624 k( 227) = ( 0.4540230 0.3683097 0.3136588), wk = 0.0027624 k( 228) = ( 0.4482759 0.3782640 0.3136588), wk = 0.0027624 k( 229) = ( 0.4425287 0.3882183 0.3136588), wk = 0.0027624 k( 230) = ( 0.4367816 0.3981726 0.3136588), wk = 0.0027624 k( 231) = ( 0.4310345 0.4081269 0.3136588), wk = 0.0027624 k( 232) = ( 0.4252874 0.4180812 0.3136588), wk = 0.0027624 k( 233) = ( 0.4195402 0.4280355 0.3136588), wk = 0.0027624 k( 234) = ( 0.4137931 0.4379899 0.3136588), wk = 0.0027624 k( 235) = ( 0.4080460 0.4479442 0.3136588), wk = 0.0027624 k( 236) = ( 0.4022988 0.4578985 0.3136588), wk = 0.0027624 k( 237) = ( 0.3965517 0.4678528 0.3136588), wk = 0.0027624 k( 238) = ( 0.3908046 0.4778071 0.3136588), wk = 0.0027624 k( 239) = ( 0.3850575 0.4877614 0.3136588), wk = 0.0027624 k( 240) = ( 0.3793103 0.4977157 0.3136588), wk = 0.0027624 k( 241) = ( 0.3735632 0.5076701 0.3136588), wk = 0.0027624 k( 242) = ( 0.3678161 0.5176244 0.3136588), wk = 0.0027624 k( 243) = ( 0.3620690 0.5275787 0.3136588), wk = 0.0027624 k( 244) = ( 0.3563218 0.5375330 0.3136588), wk = 0.0027624 k( 245) = ( 0.3505747 0.5474873 0.3136588), wk = 0.0027624 k( 246) = ( 0.3448276 0.5574416 0.3136588), wk = 0.0027624 k( 247) = ( 0.3390805 0.5673960 0.3136588), wk = 0.0027624 k( 248) = ( 0.3333333 0.5773503 0.3136588), wk = 0.0027624 k( 249) = ( 0.3333333 0.5773503 0.3136588), wk = 0.0027624 k( 250) = ( 0.3274854 0.5672213 0.3136588), wk = 0.0027624 k( 251) = ( 0.3216374 0.5570924 0.3136588), wk = 0.0027624 k( 252) = ( 0.3157895 0.5469634 0.3136588), wk = 0.0027624 k( 253) = ( 0.3099415 0.5368345 0.3136588), wk = 0.0027624 k( 254) = ( 0.3040936 0.5267055 0.3136588), wk = 0.0027624 k( 255) = ( 0.2982456 0.5165765 0.3136588), wk = 0.0027624 k( 256) = ( 0.2923977 0.5064476 0.3136588), wk = 0.0027624 k( 257) = ( 0.2865497 0.4963187 0.3136588), wk = 0.0027624 k( 258) = ( 0.2807018 0.4861897 0.3136588), wk = 0.0027624 k( 259) = ( 0.2748538 0.4760607 0.3136588), wk = 0.0027624 k( 260) = ( 0.2690058 0.4659318 0.3136588), wk = 0.0027624 k( 261) = ( 0.2631579 0.4558028 0.3136588), wk = 0.0027624 k( 262) = ( 0.2573099 0.4456739 0.3136588), wk = 0.0027624 k( 263) = ( 0.2514620 0.4355449 0.3136588), wk = 0.0027624 k( 264) = ( 0.2456140 0.4254160 0.3136588), wk = 0.0027624 k( 265) = ( 0.2397661 0.4152870 0.3136588), wk = 0.0027624 k( 266) = ( 0.2339181 0.4051581 0.3136588), wk = 0.0027624 k( 267) = ( 0.2280702 0.3950291 0.3136588), wk = 0.0027624 k( 268) = ( 0.2222222 0.3849002 0.3136588), wk = 0.0027624 k( 269) = ( 0.2163743 0.3747712 0.3136588), wk = 0.0027624 k( 270) = ( 0.2105263 0.3646423 0.3136588), wk = 0.0027624 k( 271) = ( 0.2046784 0.3545133 0.3136588), wk = 0.0027624 k( 272) = ( 0.1988304 0.3443844 0.3136588), wk = 0.0027624 k( 273) = ( 0.1929825 0.3342554 0.3136588), wk = 0.0027624 k( 274) = ( 0.1871345 0.3241265 0.3136588), wk = 0.0027624 k( 275) = ( 0.1812865 0.3139975 0.3136588), wk = 0.0027624 k( 276) = ( 0.1754386 0.3038686 0.3136588), wk = 0.0027624 k( 277) = ( 0.1695906 0.2937396 0.3136588), wk = 0.0027624 k( 278) = ( 0.1637427 0.2836107 0.3136588), wk = 0.0027624 k( 279) = ( 0.1578947 0.2734817 0.3136588), wk = 0.0027624 k( 280) = ( 0.1520468 0.2633527 0.3136588), wk = 0.0027624 k( 281) = ( 0.1461988 0.2532238 0.3136588), wk = 0.0027624 k( 282) = ( 0.1403509 0.2430949 0.3136588), wk = 0.0027624 k( 283) = ( 0.1345029 0.2329659 0.3136588), wk = 0.0027624 k( 284) = ( 0.1286550 0.2228369 0.3136588), wk = 0.0027624 k( 285) = ( 0.1228070 0.2127080 0.3136588), wk = 0.0027624 k( 286) = ( 0.1169591 0.2025790 0.3136588), wk = 0.0027624 k( 287) = ( 0.1111111 0.1924501 0.3136588), wk = 0.0027624 k( 288) = ( 0.1052632 0.1823211 0.3136588), wk = 0.0027624 k( 289) = ( 0.0994152 0.1721922 0.3136588), wk = 0.0027624 k( 290) = ( 0.0935673 0.1620632 0.3136588), wk = 0.0027624 k( 291) = ( 0.0877193 0.1519343 0.3136588), wk = 0.0027624 k( 292) = ( 0.0818713 0.1418053 0.3136588), wk = 0.0027624 k( 293) = ( 0.0760234 0.1316764 0.3136588), wk = 0.0027624 k( 294) = ( 0.0701754 0.1215474 0.3136588), wk = 0.0027624 k( 295) = ( 0.0643275 0.1114185 0.3136588), wk = 0.0027624 k( 296) = ( 0.0584795 0.1012895 0.3136588), wk = 0.0027624 k( 297) = ( 0.0526316 0.0911606 0.3136588), wk = 0.0027624 k( 298) = ( 0.0467836 0.0810316 0.3136588), wk = 0.0027624 k( 299) = ( 0.0409357 0.0709027 0.3136588), wk = 0.0027624 k( 300) = ( 0.0350877 0.0607737 0.3136588), wk = 0.0027624 k( 301) = ( 0.0292398 0.0506448 0.3136588), wk = 0.0027624 k( 302) = ( 0.0233918 0.0405158 0.3136588), wk = 0.0027624 k( 303) = ( 0.0175439 0.0303869 0.3136588), wk = 0.0027624 k( 304) = ( 0.0116959 0.0202579 0.3136588), wk = 0.0027624 k( 305) = ( 0.0058480 0.0101289 0.3136588), wk = 0.0027624 k( 306) = ( 0.0000000 0.0000000 0.3136588), wk = 0.0027624 k( 307) = ( 0.5000000 0.2886751 0.3136588), wk = 0.0027624 k( 308) = ( 0.5000000 0.2886751 0.3020418), wk = 0.0027624 k( 309) = ( 0.5000000 0.2886751 0.2904248), wk = 0.0027624 k( 310) = ( 0.5000000 0.2886751 0.2788078), wk = 0.0027624 k( 311) = ( 0.5000000 0.2886751 0.2671908), wk = 0.0027624 k( 312) = ( 0.5000000 0.2886751 0.2555738), wk = 0.0027624 k( 313) = ( 0.5000000 0.2886751 0.2439568), wk = 0.0027624 k( 314) = ( 0.5000000 0.2886751 0.2323398), wk = 0.0027624 k( 315) = ( 0.5000000 0.2886751 0.2207228), wk = 0.0027624 k( 316) = ( 0.5000000 0.2886751 0.2091059), wk = 0.0027624 k( 317) = ( 0.5000000 0.2886751 0.1974889), wk = 0.0027624 k( 318) = ( 0.5000000 0.2886751 0.1858719), wk = 0.0027624 k( 319) = ( 0.5000000 0.2886751 0.1742549), wk = 0.0027624 k( 320) = ( 0.5000000 0.2886751 0.1626379), wk = 0.0027624 k( 321) = ( 0.5000000 0.2886751 0.1510209), wk = 0.0027624 k( 322) = ( 0.5000000 0.2886751 0.1394039), wk = 0.0027624 k( 323) = ( 0.5000000 0.2886751 0.1277869), wk = 0.0027624 k( 324) = ( 0.5000000 0.2886751 0.1161699), wk = 0.0027624 k( 325) = ( 0.5000000 0.2886751 0.1045529), wk = 0.0027624 k( 326) = ( 0.5000000 0.2886751 0.0929359), wk = 0.0027624 k( 327) = ( 0.5000000 0.2886751 0.0813189), wk = 0.0027624 k( 328) = ( 0.5000000 0.2886751 0.0697020), wk = 0.0027624 k( 329) = ( 0.5000000 0.2886751 0.0580850), wk = 0.0027624 k( 330) = ( 0.5000000 0.2886751 0.0464680), wk = 0.0027624 k( 331) = ( 0.5000000 0.2886751 0.0348510), wk = 0.0027624 k( 332) = ( 0.5000000 0.2886751 0.0232340), wk = 0.0027624 k( 333) = ( 0.5000000 0.2886751 0.0116170), wk = 0.0027624 k( 334) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027624 k( 335) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027624 k( 336) = ( 0.3333333 0.5773503 0.0116170), wk = 0.0027624 k( 337) = ( 0.3333333 0.5773503 0.0232340), wk = 0.0027624 k( 338) = ( 0.3333333 0.5773503 0.0348510), wk = 0.0027624 k( 339) = ( 0.3333333 0.5773503 0.0464680), wk = 0.0027624 k( 340) = ( 0.3333333 0.5773503 0.0580850), wk = 0.0027624 k( 341) = ( 0.3333333 0.5773503 0.0697020), wk = 0.0027624 k( 342) = ( 0.3333333 0.5773503 0.0813189), wk = 0.0027624 k( 343) = ( 0.3333333 0.5773503 0.0929359), wk = 0.0027624 k( 344) = ( 0.3333333 0.5773503 0.1045529), wk = 0.0027624 k( 345) = ( 0.3333333 0.5773503 0.1161699), wk = 0.0027624 k( 346) = ( 0.3333333 0.5773503 0.1277869), wk = 0.0027624 k( 347) = ( 0.3333333 0.5773503 0.1394039), wk = 0.0027624 k( 348) = ( 0.3333333 0.5773503 0.1510209), wk = 0.0027624 k( 349) = ( 0.3333333 0.5773503 0.1626379), wk = 0.0027624 k( 350) = ( 0.3333333 0.5773503 0.1742549), wk = 0.0027624 k( 351) = ( 0.3333333 0.5773503 0.1858719), wk = 0.0027624 k( 352) = ( 0.3333333 0.5773503 0.1974889), wk = 0.0027624 k( 353) = ( 0.3333333 0.5773503 0.2091059), wk = 0.0027624 k( 354) = ( 0.3333333 0.5773503 0.2207228), wk = 0.0027624 k( 355) = ( 0.3333333 0.5773503 0.2323398), wk = 0.0027624 k( 356) = ( 0.3333333 0.5773503 0.2439568), wk = 0.0027624 k( 357) = ( 0.3333333 0.5773503 0.2555738), wk = 0.0027624 k( 358) = ( 0.3333333 0.5773503 0.2671908), wk = 0.0027624 k( 359) = ( 0.3333333 0.5773503 0.2788078), wk = 0.0027624 k( 360) = ( 0.3333333 0.5773503 0.2904248), wk = 0.0027624 k( 361) = ( 0.3333333 0.5773503 0.3020418), wk = 0.0027624 k( 362) = ( 0.3333333 0.5773503 0.3136588), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0027624 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0027624 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0027624 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0027624 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0027624 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0027624 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0027624 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0027624 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 12) = ( 0.1100000 -0.0000000 0.0000000), wk = 0.0027624 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0027624 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0027624 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0027624 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0027624 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0027624 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0027624 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0027624 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0027624 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0027624 k( 23) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0027624 k( 24) = ( 0.2300000 -0.0000000 0.0000000), wk = 0.0027624 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0027624 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027624 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0027624 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0027624 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0027624 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027624 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0027624 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0027624 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0027624 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0027624 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0027624 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0027624 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0027624 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0027624 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0027624 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027624 k( 42) = ( 0.4100000 -0.0000000 0.0000000), wk = 0.0027624 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0027624 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0027624 k( 45) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0027624 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0027624 k( 47) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0027624 k( 48) = ( 0.4700000 -0.0000000 0.0000000), wk = 0.0027624 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0027624 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0027624 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027624 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027624 k( 53) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0027624 k( 54) = ( 0.4885058 0.0229885 0.0000000), wk = 0.0027624 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0027624 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0027624 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027624 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0027624 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0027624 k( 60) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0027624 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027624 k( 62) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0027624 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0027624 k( 64) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0027624 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027624 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027624 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027624 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027624 k( 69) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0027624 k( 70) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0027624 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0027624 k( 72) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0027624 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027624 k( 74) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0027624 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0027624 k( 76) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0027624 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027624 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027624 k( 79) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0027624 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027624 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027624 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027624 k( 83) = ( 0.3274854 0.3274854 -0.0000000), wk = 0.0027624 k( 84) = ( 0.3216374 0.3216374 0.0000000), wk = 0.0027624 k( 85) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0027624 k( 86) = ( 0.3099415 0.3099415 0.0000000), wk = 0.0027624 k( 87) = ( 0.3040936 0.3040936 -0.0000000), wk = 0.0027624 k( 88) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0027624 k( 89) = ( 0.2923977 0.2923977 -0.0000000), wk = 0.0027624 k( 90) = ( 0.2865497 0.2865497 0.0000000), wk = 0.0027624 k( 91) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0027624 k( 92) = ( 0.2748538 0.2748538 0.0000000), wk = 0.0027624 k( 93) = ( 0.2690058 0.2690058 0.0000000), wk = 0.0027624 k( 94) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027624 k( 95) = ( 0.2573099 0.2573099 0.0000000), wk = 0.0027624 k( 96) = ( 0.2514620 0.2514620 0.0000000), wk = 0.0027624 k( 97) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0027624 k( 98) = ( 0.2397661 0.2397661 0.0000000), wk = 0.0027624 k( 99) = ( 0.2339181 0.2339181 0.0000000), wk = 0.0027624 k( 100) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0027624 k( 101) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027624 k( 102) = ( 0.2163743 0.2163743 0.0000000), wk = 0.0027624 k( 103) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0027624 k( 104) = ( 0.2046784 0.2046784 -0.0000000), wk = 0.0027624 k( 105) = ( 0.1988304 0.1988304 -0.0000000), wk = 0.0027624 k( 106) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027624 k( 107) = ( 0.1871345 0.1871345 -0.0000000), wk = 0.0027624 k( 108) = ( 0.1812865 0.1812865 -0.0000000), wk = 0.0027624 k( 109) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027624 k( 110) = ( 0.1695906 0.1695906 0.0000000), wk = 0.0027624 k( 111) = ( 0.1637427 0.1637427 -0.0000000), wk = 0.0027624 k( 112) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0027624 k( 113) = ( 0.1520468 0.1520468 0.0000000), wk = 0.0027624 k( 114) = ( 0.1461988 0.1461988 -0.0000000), wk = 0.0027624 k( 115) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0027624 k( 116) = ( 0.1345029 0.1345029 -0.0000000), wk = 0.0027624 k( 117) = ( 0.1286550 0.1286550 0.0000000), wk = 0.0027624 k( 118) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0027624 k( 119) = ( 0.1169591 0.1169591 -0.0000000), wk = 0.0027624 k( 120) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027624 k( 121) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0027624 k( 122) = ( 0.0994152 0.0994152 -0.0000000), wk = 0.0027624 k( 123) = ( 0.0935673 0.0935672 -0.0000000), wk = 0.0027624 k( 124) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027624 k( 125) = ( 0.0818713 0.0818713 0.0000000), wk = 0.0027624 k( 126) = ( 0.0760234 0.0760234 0.0000000), wk = 0.0027624 k( 127) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0027624 k( 128) = ( 0.0643275 0.0643275 0.0000000), wk = 0.0027624 k( 129) = ( 0.0584795 0.0584795 -0.0000000), wk = 0.0027624 k( 130) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0027624 k( 131) = ( 0.0467836 0.0467836 0.0000000), wk = 0.0027624 k( 132) = ( 0.0409357 0.0409357 -0.0000000), wk = 0.0027624 k( 133) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0027624 k( 134) = ( 0.0292398 0.0292398 -0.0000000), wk = 0.0027624 k( 135) = ( 0.0233918 0.0233918 0.0000000), wk = 0.0027624 k( 136) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0027624 k( 137) = ( 0.0116959 0.0116959 0.0000000), wk = 0.0027624 k( 138) = ( 0.0058480 0.0058479 -0.0000000), wk = 0.0027624 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 141) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027624 k( 142) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027624 k( 143) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027624 k( 144) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027624 k( 145) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027624 k( 146) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027624 k( 147) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027624 k( 148) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027624 k( 151) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027624 k( 152) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027624 k( 153) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027624 k( 154) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027624 k( 155) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027624 k( 156) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027624 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 169) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027624 k( 170) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027624 k( 171) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0027624 k( 172) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027624 k( 173) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027624 k( 174) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0027624 k( 175) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0027624 k( 176) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027624 k( 177) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0027624 k( 178) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027624 k( 179) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0027624 k( 180) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0027624 k( 181) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0027624 k( 182) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0027624 k( 183) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027624 k( 184) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027624 k( 185) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0027624 k( 186) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0027624 k( 187) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0027624 k( 188) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027624 k( 189) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0027624 k( 190) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0027624 k( 191) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0027624 k( 192) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0027624 k( 193) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027624 k( 194) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0027624 k( 195) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0027624 k( 196) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0027624 k( 197) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0027624 k( 198) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027624 k( 199) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027624 k( 200) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027624 k( 201) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027624 k( 202) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0027624 k( 203) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027624 k( 204) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0027624 k( 205) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0027624 k( 206) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0027624 k( 207) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0027624 k( 208) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027624 k( 209) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0027624 k( 210) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0027624 k( 211) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0027624 k( 212) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0027624 k( 213) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0027624 k( 214) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0027624 k( 215) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027624 k( 216) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0027624 k( 217) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0027624 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027624 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027624 k( 220) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027624 k( 221) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027624 k( 222) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027624 k( 223) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027624 k( 224) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027624 k( 225) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027624 k( 226) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027624 k( 227) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027624 k( 228) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027624 k( 229) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027624 k( 230) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027624 k( 231) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027624 k( 232) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027624 k( 233) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027624 k( 234) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027624 k( 235) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027624 k( 236) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027624 k( 237) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027624 k( 238) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027624 k( 239) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027624 k( 240) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027624 k( 241) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027624 k( 242) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027624 k( 243) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027624 k( 244) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027624 k( 245) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027624 k( 246) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027624 k( 247) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027624 k( 248) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027624 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027624 k( 250) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0027624 k( 251) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0027624 k( 252) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027624 k( 253) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0027624 k( 254) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0027624 k( 255) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027624 k( 256) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0027624 k( 257) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0027624 k( 258) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027624 k( 259) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0027624 k( 260) = ( 0.2690058 0.2690058 0.5000000), wk = 0.0027624 k( 261) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027624 k( 262) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0027624 k( 263) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0027624 k( 264) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027624 k( 265) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0027624 k( 266) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0027624 k( 267) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027624 k( 268) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027624 k( 269) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0027624 k( 270) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027624 k( 271) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0027624 k( 272) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0027624 k( 273) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027624 k( 274) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0027624 k( 275) = ( 0.1812865 0.1812865 0.5000000), wk = 0.0027624 k( 276) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027624 k( 277) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0027624 k( 278) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0027624 k( 279) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027624 k( 280) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0027624 k( 281) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0027624 k( 282) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027624 k( 283) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0027624 k( 284) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0027624 k( 285) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027624 k( 286) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0027624 k( 287) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027624 k( 288) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027624 k( 289) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0027624 k( 290) = ( 0.0935673 0.0935672 0.5000000), wk = 0.0027624 k( 291) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027624 k( 292) = ( 0.0818713 0.0818713 0.5000000), wk = 0.0027624 k( 293) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0027624 k( 294) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027624 k( 295) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0027624 k( 296) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0027624 k( 297) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027624 k( 298) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0027624 k( 299) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0027624 k( 300) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027624 k( 301) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0027624 k( 302) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0027624 k( 303) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027624 k( 304) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0027624 k( 305) = ( 0.0058480 0.0058479 0.5000000), wk = 0.0027624 k( 306) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 307) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027624 k( 308) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0027624 k( 309) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0027624 k( 310) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027624 k( 311) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0027624 k( 312) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0027624 k( 313) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027624 k( 314) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0027624 k( 315) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0027624 k( 316) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027624 k( 317) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0027624 k( 318) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0027624 k( 319) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027624 k( 320) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0027624 k( 321) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0027624 k( 322) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027624 k( 323) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0027624 k( 324) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0027624 k( 325) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027624 k( 326) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0027624 k( 327) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0027624 k( 328) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027624 k( 329) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0027624 k( 330) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0027624 k( 331) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027624 k( 332) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0027624 k( 333) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0027624 k( 334) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027624 k( 335) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027624 k( 336) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027624 k( 337) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027624 k( 338) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027624 k( 339) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027624 k( 340) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027624 k( 341) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027624 k( 342) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027624 k( 343) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027624 k( 344) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027624 k( 345) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027624 k( 346) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027624 k( 347) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027624 k( 348) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027624 k( 349) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027624 k( 350) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027624 k( 351) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027624 k( 352) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027624 k( 353) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027624 k( 354) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027624 k( 355) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027624 k( 356) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027624 k( 357) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027624 k( 358) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027624 k( 359) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027624 k( 360) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027624 k( 361) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027624 k( 362) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027624 Dense grid: 45939 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 20269 G-vectors FFT dimensions: ( 32, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 156, 48) NL pseudopotentials 0.13 Mb ( 78, 110) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1280) G-vector shells 0.00 Mb ( 620) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 156, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Y2O3.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.6 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.2 secs Computing kpt #: 18 total cpu time spent up to now is 6.5 secs Computing kpt #: 19 total cpu time spent up to now is 6.8 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.4 secs Computing kpt #: 22 total cpu time spent up to now is 7.7 secs Computing kpt #: 23 total cpu time spent up to now is 7.9 secs Computing kpt #: 24 total cpu time spent up to now is 8.2 secs Computing kpt #: 25 total cpu time spent up to now is 8.5 secs Computing kpt #: 26 total cpu time spent up to now is 8.8 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.4 secs Computing kpt #: 29 total cpu time spent up to now is 9.7 secs Computing kpt #: 30 total cpu time spent up to now is 10.0 secs Computing kpt #: 31 total cpu time spent up to now is 10.2 secs Computing kpt #: 32 total cpu time spent up to now is 10.5 secs Computing kpt #: 33 total cpu time spent up to now is 10.8 secs Computing kpt #: 34 total cpu time spent up to now is 11.1 secs Computing kpt #: 35 total cpu time spent up to now is 11.4 secs Computing kpt #: 36 total cpu time spent up to now is 11.7 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.3 secs Computing kpt #: 39 total cpu time spent up to now is 12.5 secs Computing kpt #: 40 total cpu time spent up to now is 12.8 secs Computing kpt #: 41 total cpu time spent up to now is 13.1 secs Computing kpt #: 42 total cpu time spent up to now is 13.4 secs Computing kpt #: 43 total cpu time spent up to now is 13.7 secs Computing kpt #: 44 total cpu time spent up to now is 14.0 secs Computing kpt #: 45 total cpu time spent up to now is 14.3 secs Computing kpt #: 46 total cpu time spent up to now is 14.6 secs Computing kpt #: 47 total cpu time spent up to now is 14.9 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.5 secs Computing kpt #: 50 total cpu time spent up to now is 15.8 secs Computing kpt #: 51 total cpu time spent up to now is 16.1 secs Computing kpt #: 52 total cpu time spent up to now is 16.3 secs Computing kpt #: 53 total cpu time spent up to now is 16.6 secs Computing kpt #: 54 total cpu time spent up to now is 16.9 secs Computing kpt #: 55 total cpu time spent up to now is 17.2 secs Computing kpt #: 56 total cpu time spent up to now is 17.6 secs Computing kpt #: 57 total cpu time spent up to now is 17.9 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.5 secs Computing kpt #: 60 total cpu time spent up to now is 18.9 secs Computing kpt #: 61 total cpu time spent up to now is 19.2 secs Computing kpt #: 62 total cpu time spent up to now is 19.5 secs Computing kpt #: 63 total cpu time spent up to now is 19.9 secs Computing kpt #: 64 total cpu time spent up to now is 20.2 secs Computing kpt #: 65 total cpu time spent up to now is 20.6 secs Computing kpt #: 66 total cpu time spent up to now is 20.9 secs Computing kpt #: 67 total cpu time spent up to now is 21.2 secs Computing kpt #: 68 total cpu time spent up to now is 21.5 secs Computing kpt #: 69 total cpu time spent up to now is 21.9 secs Computing kpt #: 70 total cpu time spent up to now is 22.3 secs Computing kpt #: 71 total cpu time spent up to now is 22.6 secs Computing kpt #: 72 total cpu time spent up to now is 23.0 secs Computing kpt #: 73 total cpu time spent up to now is 23.4 secs Computing kpt #: 74 total cpu time spent up to now is 23.7 secs Computing kpt #: 75 total cpu time spent up to now is 24.1 secs Computing kpt #: 76 total cpu time spent up to now is 24.5 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.2 secs Computing kpt #: 79 total cpu time spent up to now is 25.6 secs Computing kpt #: 80 total cpu time spent up to now is 25.9 secs Computing kpt #: 81 total cpu time spent up to now is 26.3 secs Computing kpt #: 82 total cpu time spent up to now is 26.7 secs Computing kpt #: 83 total cpu time spent up to now is 27.0 secs Computing kpt #: 84 total cpu time spent up to now is 27.4 secs Computing kpt #: 85 total cpu time spent up to now is 27.7 secs Computing kpt #: 86 total cpu time spent up to now is 28.1 secs Computing kpt #: 87 total cpu time spent up to now is 28.5 secs Computing kpt #: 88 total cpu time spent up to now is 28.9 secs Computing kpt #: 89 total cpu time spent up to now is 29.2 secs Computing kpt #: 90 total cpu time spent up to now is 29.6 secs Computing kpt #: 91 total cpu time spent up to now is 29.9 secs Computing kpt #: 92 total cpu time spent up to now is 30.3 secs Computing kpt #: 93 total cpu time spent up to now is 30.7 secs Computing kpt #: 94 total cpu time spent up to now is 31.0 secs Computing kpt #: 95 total cpu time spent up to now is 31.4 secs Computing kpt #: 96 total cpu time spent up to now is 31.8 secs Computing kpt #: 97 total cpu time spent up to now is 32.1 secs Computing kpt #: 98 total cpu time spent up to now is 32.4 secs Computing kpt #: 99 total cpu time spent up to now is 32.8 secs Computing kpt #: 100 total cpu time spent up to now is 33.1 secs Computing kpt #: 101 total cpu time spent up to now is 33.4 secs Computing kpt #: 102 total cpu time spent up to now is 33.7 secs Computing kpt #: 103 total cpu time spent up to now is 34.0 secs Computing kpt #: 104 total cpu time spent up to now is 34.3 secs Computing kpt #: 105 total cpu time spent up to now is 34.6 secs Computing kpt #: 106 total cpu time spent up to now is 34.9 secs Computing kpt #: 107 total cpu time spent up to now is 35.2 secs Computing kpt #: 108 total cpu time spent up to now is 35.5 secs Computing kpt #: 109 total cpu time spent up to now is 35.8 secs Computing kpt #: 110 total cpu time spent up to now is 36.1 secs Computing kpt #: 111 total cpu time spent up to now is 36.3 secs Computing kpt #: 112 total cpu time spent up to now is 36.6 secs Computing kpt #: 113 total cpu time spent up to now is 36.9 secs Computing kpt #: 114 total cpu time spent up to now is 37.2 secs Computing kpt #: 115 total cpu time spent up to now is 37.5 secs Computing kpt #: 116 total cpu time spent up to now is 37.8 secs Computing kpt #: 117 total cpu time spent up to now is 38.1 secs Computing kpt #: 118 total cpu time spent up to now is 38.4 secs Computing kpt #: 119 total cpu time spent up to now is 38.6 secs Computing kpt #: 120 total cpu time spent up to now is 38.9 secs Computing kpt #: 121 total cpu time spent up to now is 39.2 secs Computing kpt #: 122 total cpu time spent up to now is 39.5 secs Computing kpt #: 123 total cpu time spent up to now is 39.8 secs Computing kpt #: 124 total cpu time spent up to now is 40.1 secs Computing kpt #: 125 total cpu time spent up to now is 40.3 secs Computing kpt #: 126 total cpu time spent up to now is 40.6 secs Computing kpt #: 127 total cpu time spent up to now is 40.9 secs Computing kpt #: 128 total cpu time spent up to now is 41.2 secs Computing kpt #: 129 total cpu time spent up to now is 41.5 secs Computing kpt #: 130 total cpu time spent up to now is 41.7 secs Computing kpt #: 131 total cpu time spent up to now is 42.0 secs Computing kpt #: 132 total cpu time spent up to now is 42.3 secs Computing kpt #: 133 total cpu time spent up to now is 42.6 secs Computing kpt #: 134 total cpu time spent up to now is 42.9 secs Computing kpt #: 135 total cpu time spent up to now is 43.1 secs Computing kpt #: 136 total cpu time spent up to now is 43.4 secs Computing kpt #: 137 total cpu time spent up to now is 43.7 secs Computing kpt #: 138 total cpu time spent up to now is 43.9 secs Computing kpt #: 139 total cpu time spent up to now is 44.2 secs Computing kpt #: 140 total cpu time spent up to now is 44.4 secs Computing kpt #: 141 total cpu time spent up to now is 44.7 secs Computing kpt #: 142 total cpu time spent up to now is 44.9 secs Computing kpt #: 143 total cpu time spent up to now is 45.2 secs Computing kpt #: 144 total cpu time spent up to now is 45.5 secs Computing kpt #: 145 total cpu time spent up to now is 45.7 secs Computing kpt #: 146 total cpu time spent up to now is 46.0 secs Computing kpt #: 147 total cpu time spent up to now is 46.2 secs Computing kpt #: 148 total cpu time spent up to now is 46.5 secs Computing kpt #: 149 total cpu time spent up to now is 46.8 secs Computing kpt #: 150 total cpu time spent up to now is 47.0 secs Computing kpt #: 151 total cpu time spent up to now is 47.3 secs Computing kpt #: 152 total cpu time spent up to now is 47.6 secs Computing kpt #: 153 total cpu time spent up to now is 47.8 secs Computing kpt #: 154 total cpu time spent up to now is 48.1 secs Computing kpt #: 155 total cpu time spent up to now is 48.4 secs Computing kpt #: 156 total cpu time spent up to now is 48.7 secs Computing kpt #: 157 total cpu time spent up to now is 49.0 secs Computing kpt #: 158 total cpu time spent up to now is 49.3 secs Computing kpt #: 159 total cpu time spent up to now is 49.6 secs Computing kpt #: 160 total cpu time spent up to now is 49.9 secs Computing kpt #: 161 total cpu time spent up to now is 50.3 secs Computing kpt #: 162 total cpu time spent up to now is 50.6 secs Computing kpt #: 163 total cpu time spent up to now is 51.0 secs Computing kpt #: 164 total cpu time spent up to now is 51.3 secs Computing kpt #: 165 total cpu time spent up to now is 51.7 secs Computing kpt #: 166 total cpu time spent up to now is 52.0 secs Computing kpt #: 167 total cpu time spent up to now is 52.4 secs Computing kpt #: 168 total cpu time spent up to now is 52.7 secs Computing kpt #: 169 total cpu time spent up to now is 53.1 secs Computing kpt #: 170 total cpu time spent up to now is 53.4 secs Computing kpt #: 171 total cpu time spent up to now is 53.8 secs Computing kpt #: 172 total cpu time spent up to now is 54.1 secs Computing kpt #: 173 total cpu time spent up to now is 54.5 secs Computing kpt #: 174 total cpu time spent up to now is 54.8 secs Computing kpt #: 175 total cpu time spent up to now is 55.1 secs Computing kpt #: 176 total cpu time spent up to now is 55.4 secs Computing kpt #: 177 total cpu time spent up to now is 55.8 secs Computing kpt #: 178 total cpu time spent up to now is 56.1 secs Computing kpt #: 179 total cpu time spent up to now is 56.4 secs Computing kpt #: 180 total cpu time spent up to now is 56.7 secs Computing kpt #: 181 total cpu time spent up to now is 57.1 secs Computing kpt #: 182 total cpu time spent up to now is 57.4 secs Computing kpt #: 183 total cpu time spent up to now is 57.7 secs Computing kpt #: 184 total cpu time spent up to now is 58.0 secs Computing kpt #: 185 total cpu time spent up to now is 58.3 secs Computing kpt #: 186 total cpu time spent up to now is 58.6 secs Computing kpt #: 187 total cpu time spent up to now is 58.8 secs Computing kpt #: 188 total cpu time spent up to now is 59.1 secs Computing kpt #: 189 total cpu time spent up to now is 59.4 secs Computing kpt #: 190 total cpu time spent up to now is 59.7 secs Computing kpt #: 191 total cpu time spent up to now is 60.0 secs Computing kpt #: 192 total cpu time spent up to now is 60.3 secs Computing kpt #: 193 total cpu time spent up to now is 60.6 secs Computing kpt #: 194 total cpu time spent up to now is 60.9 secs Computing kpt #: 195 total cpu time spent up to now is 61.2 secs Computing kpt #: 196 total cpu time spent up to now is 61.5 secs Computing kpt #: 197 total cpu time spent up to now is 61.8 secs Computing kpt #: 198 total cpu time spent up to now is 62.1 secs Computing kpt #: 199 total cpu time spent up to now is 62.4 secs Computing kpt #: 200 total cpu time spent up to now is 62.7 secs Computing kpt #: 201 total cpu time spent up to now is 63.0 secs Computing kpt #: 202 total cpu time spent up to now is 63.3 secs Computing kpt #: 203 total cpu time spent up to now is 63.6 secs Computing kpt #: 204 total cpu time spent up to now is 63.9 secs Computing kpt #: 205 total cpu time spent up to now is 64.3 secs Computing kpt #: 206 total cpu time spent up to now is 64.6 secs Computing kpt #: 207 total cpu time spent up to now is 65.0 secs Computing kpt #: 208 total cpu time spent up to now is 65.3 secs Computing kpt #: 209 total cpu time spent up to now is 65.7 secs Computing kpt #: 210 total cpu time spent up to now is 66.1 secs Computing kpt #: 211 total cpu time spent up to now is 66.5 secs Computing kpt #: 212 total cpu time spent up to now is 66.8 secs Computing kpt #: 213 total cpu time spent up to now is 67.2 secs Computing kpt #: 214 total cpu time spent up to now is 67.6 secs Computing kpt #: 215 total cpu time spent up to now is 68.0 secs Computing kpt #: 216 total cpu time spent up to now is 68.3 secs Computing kpt #: 217 total cpu time spent up to now is 68.7 secs Computing kpt #: 218 total cpu time spent up to now is 69.1 secs Computing kpt #: 219 total cpu time spent up to now is 69.4 secs Computing kpt #: 220 total cpu time spent up to now is 69.8 secs Computing kpt #: 221 total cpu time spent up to now is 70.2 secs Computing kpt #: 222 total cpu time spent up to now is 70.6 secs Computing kpt #: 223 total cpu time spent up to now is 70.9 secs Computing kpt #: 224 total cpu time spent up to now is 71.3 secs Computing kpt #: 225 total cpu time spent up to now is 71.7 secs Computing kpt #: 226 total cpu time spent up to now is 72.0 secs Computing kpt #: 227 total cpu time spent up to now is 72.4 secs Computing kpt #: 228 total cpu time spent up to now is 72.7 secs Computing kpt #: 229 total cpu time spent up to now is 73.1 secs Computing kpt #: 230 total cpu time spent up to now is 73.5 secs Computing kpt #: 231 total cpu time spent up to now is 73.8 secs Computing kpt #: 232 total cpu time spent up to now is 74.2 secs Computing kpt #: 233 total cpu time spent up to now is 74.5 secs Computing kpt #: 234 total cpu time spent up to now is 74.9 secs Computing kpt #: 235 total cpu time spent up to now is 75.2 secs Computing kpt #: 236 total cpu time spent up to now is 75.6 secs Computing kpt #: 237 total cpu time spent up to now is 75.9 secs Computing kpt #: 238 total cpu time spent up to now is 76.2 secs Computing kpt #: 239 total cpu time spent up to now is 76.6 secs Computing kpt #: 240 total cpu time spent up to now is 77.0 secs Computing kpt #: 241 total cpu time spent up to now is 77.3 secs Computing kpt #: 242 total cpu time spent up to now is 77.7 secs Computing kpt #: 243 total cpu time spent up to now is 78.0 secs Computing kpt #: 244 total cpu time spent up to now is 78.3 secs Computing kpt #: 245 total cpu time spent up to now is 78.7 secs Computing kpt #: 246 total cpu time spent up to now is 79.1 secs Computing kpt #: 247 total cpu time spent up to now is 79.4 secs Computing kpt #: 248 total cpu time spent up to now is 79.8 secs Computing kpt #: 249 total cpu time spent up to now is 80.2 secs Computing kpt #: 250 total cpu time spent up to now is 80.6 secs Computing kpt #: 251 total cpu time spent up to now is 81.0 secs Computing kpt #: 252 total cpu time spent up to now is 81.3 secs Computing kpt #: 253 total cpu time spent up to now is 81.7 secs Computing kpt #: 254 total cpu time spent up to now is 82.0 secs Computing kpt #: 255 total cpu time spent up to now is 82.4 secs Computing kpt #: 256 total cpu time spent up to now is 82.7 secs Computing kpt #: 257 total cpu time spent up to now is 83.1 secs Computing kpt #: 258 total cpu time spent up to now is 83.4 secs Computing kpt #: 259 total cpu time spent up to now is 83.8 secs Computing kpt #: 260 total cpu time spent up to now is 84.1 secs Computing kpt #: 261 total cpu time spent up to now is 84.5 secs Computing kpt #: 262 total cpu time spent up to now is 84.8 secs Computing kpt #: 263 total cpu time spent up to now is 85.2 secs Computing kpt #: 264 total cpu time spent up to now is 85.6 secs Computing kpt #: 265 total cpu time spent up to now is 86.0 secs Computing kpt #: 266 total cpu time spent up to now is 86.4 secs Computing kpt #: 267 total cpu time spent up to now is 86.8 secs Computing kpt #: 268 total cpu time spent up to now is 87.2 secs Computing kpt #: 269 total cpu time spent up to now is 87.5 secs Computing kpt #: 270 total cpu time spent up to now is 87.9 secs Computing kpt #: 271 total cpu time spent up to now is 88.3 secs Computing kpt #: 272 total cpu time spent up to now is 88.6 secs Computing kpt #: 273 total cpu time spent up to now is 88.9 secs Computing kpt #: 274 total cpu time spent up to now is 89.3 secs Computing kpt #: 275 total cpu time spent up to now is 89.6 secs Computing kpt #: 276 total cpu time spent up to now is 89.9 secs Computing kpt #: 277 total cpu time spent up to now is 90.2 secs Computing kpt #: 278 total cpu time spent up to now is 90.5 secs Computing kpt #: 279 total cpu time spent up to now is 90.9 secs Computing kpt #: 280 total cpu time spent up to now is 91.2 secs Computing kpt #: 281 total cpu time spent up to now is 91.5 secs Computing kpt #: 282 total cpu time spent up to now is 91.8 secs Computing kpt #: 283 total cpu time spent up to now is 92.1 secs Computing kpt #: 284 total cpu time spent up to now is 92.4 secs Computing kpt #: 285 total cpu time spent up to now is 92.7 secs Computing kpt #: 286 total cpu time spent up to now is 93.0 secs Computing kpt #: 287 total cpu time spent up to now is 93.3 secs Computing kpt #: 288 total cpu time spent up to now is 93.6 secs Computing kpt #: 289 total cpu time spent up to now is 93.9 secs Computing kpt #: 290 total cpu time spent up to now is 94.2 secs Computing kpt #: 291 total cpu time spent up to now is 94.6 secs Computing kpt #: 292 total cpu time spent up to now is 94.9 secs Computing kpt #: 293 total cpu time spent up to now is 95.2 secs Computing kpt #: 294 total cpu time spent up to now is 95.6 secs Computing kpt #: 295 total cpu time spent up to now is 95.9 secs Computing kpt #: 296 total cpu time spent up to now is 96.3 secs Computing kpt #: 297 total cpu time spent up to now is 96.6 secs Computing kpt #: 298 total cpu time spent up to now is 96.9 secs Computing kpt #: 299 total cpu time spent up to now is 97.3 secs Computing kpt #: 300 total cpu time spent up to now is 97.6 secs Computing kpt #: 301 total cpu time spent up to now is 98.0 secs Computing kpt #: 302 total cpu time spent up to now is 98.3 secs Computing kpt #: 303 total cpu time spent up to now is 98.7 secs Computing kpt #: 304 total cpu time spent up to now is 99.0 secs Computing kpt #: 305 total cpu time spent up to now is 99.4 secs Computing kpt #: 306 total cpu time spent up to now is 99.8 secs Computing kpt #: 307 total cpu time spent up to now is 100.1 secs Computing kpt #: 308 total cpu time spent up to now is 100.5 secs Computing kpt #: 309 total cpu time spent up to now is 100.9 secs Computing kpt #: 310 total cpu time spent up to now is 101.2 secs Computing kpt #: 311 total cpu time spent up to now is 101.6 secs Computing kpt #: 312 total cpu time spent up to now is 102.0 secs Computing kpt #: 313 total cpu time spent up to now is 102.3 secs Computing kpt #: 314 total cpu time spent up to now is 102.7 secs Computing kpt #: 315 total cpu time spent up to now is 103.1 secs Computing kpt #: 316 total cpu time spent up to now is 103.4 secs Computing kpt #: 317 total cpu time spent up to now is 103.8 secs Computing kpt #: 318 total cpu time spent up to now is 104.1 secs Computing kpt #: 319 total cpu time spent up to now is 104.5 secs Computing kpt #: 320 total cpu time spent up to now is 104.8 secs Computing kpt #: 321 total cpu time spent up to now is 105.2 secs Computing kpt #: 322 total cpu time spent up to now is 105.5 secs Computing kpt #: 323 total cpu time spent up to now is 105.9 secs Computing kpt #: 324 total cpu time spent up to now is 106.2 secs Computing kpt #: 325 total cpu time spent up to now is 106.6 secs Computing kpt #: 326 total cpu time spent up to now is 106.9 secs Computing kpt #: 327 total cpu time spent up to now is 107.2 secs Computing kpt #: 328 total cpu time spent up to now is 107.6 secs Computing kpt #: 329 total cpu time spent up to now is 107.9 secs Computing kpt #: 330 total cpu time spent up to now is 108.3 secs Computing kpt #: 331 total cpu time spent up to now is 108.6 secs Computing kpt #: 332 total cpu time spent up to now is 108.9 secs Computing kpt #: 333 total cpu time spent up to now is 109.2 secs Computing kpt #: 334 total cpu time spent up to now is 109.5 secs Computing kpt #: 335 total cpu time spent up to now is 109.9 secs Computing kpt #: 336 total cpu time spent up to now is 110.2 secs Computing kpt #: 337 total cpu time spent up to now is 110.6 secs Computing kpt #: 338 total cpu time spent up to now is 110.9 secs Computing kpt #: 339 total cpu time spent up to now is 111.3 secs Computing kpt #: 340 total cpu time spent up to now is 111.6 secs Computing kpt #: 341 total cpu time spent up to now is 112.0 secs Computing kpt #: 342 total cpu time spent up to now is 112.4 secs Computing kpt #: 343 total cpu time spent up to now is 112.7 secs Computing kpt #: 344 total cpu time spent up to now is 113.1 secs Computing kpt #: 345 total cpu time spent up to now is 113.5 secs Computing kpt #: 346 total cpu time spent up to now is 113.8 secs Computing kpt #: 347 total cpu time spent up to now is 114.2 secs Computing kpt #: 348 total cpu time spent up to now is 114.6 secs Computing kpt #: 349 total cpu time spent up to now is 114.9 secs Computing kpt #: 350 total cpu time spent up to now is 115.3 secs Computing kpt #: 351 total cpu time spent up to now is 115.7 secs Computing kpt #: 352 total cpu time spent up to now is 116.0 secs Computing kpt #: 353 total cpu time spent up to now is 116.5 secs Computing kpt #: 354 total cpu time spent up to now is 116.9 secs Computing kpt #: 355 total cpu time spent up to now is 117.3 secs Computing kpt #: 356 total cpu time spent up to now is 117.7 secs Computing kpt #: 357 total cpu time spent up to now is 118.1 secs Computing kpt #: 358 total cpu time spent up to now is 118.6 secs Computing kpt #: 359 total cpu time spent up to now is 119.0 secs Computing kpt #: 360 total cpu time spent up to now is 119.4 secs Computing kpt #: 361 total cpu time spent up to now is 119.8 secs Computing kpt #: 362 total cpu time spent up to now is 120.2 secs ethr = 2.50E-08, avg # of iterations = 19.8 total cpu time spent up to now is 120.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2563 PWs) bands (ev): -30.3692 -30.3692 -30.2952 -30.2952 -11.6059 -11.6059 -11.1763 -11.1763 -10.3256 -10.3256 -9.8213 -9.8213 -9.7239 -9.7239 -9.7220 -9.7220 -6.8315 -6.8315 -6.6323 -6.6323 -4.9890 -4.9890 6.7121 6.7121 6.7222 6.7222 6.7402 6.7402 6.7830 6.7830 6.8802 6.8802 7.5802 7.5802 9.3692 9.3692 9.4115 9.4115 9.6314 9.6314 13.9725 13.9725 14.6813 14.6813 14.7720 14.7720 14.7806 14.7806 k = 0.0100 0.0058-0.0000 ( 2561 PWs) bands (ev): -30.3691 -30.3691 -30.2952 -30.2952 -11.6060 -11.6060 -11.1767 -11.1767 -10.3260 -10.3260 -9.8222 -9.8222 -9.7249 -9.7249 -9.7222 -9.7222 -6.8295 -6.8295 -6.6309 -6.6309 -4.9895 -4.9895 6.7121 6.7121 6.7214 6.7214 6.7406 6.7406 6.7820 6.7820 6.8816 6.8816 7.5838 7.5838 9.3675 9.3675 9.4098 9.4098 9.6308 9.6308 13.9749 13.9749 14.6823 14.6823 14.7731 14.7731 14.7818 14.7818 k = 0.0200 0.0115-0.0000 ( 2557 PWs) bands (ev): -30.3689 -30.3689 -30.2951 -30.2951 -11.6062 -11.6062 -11.1780 -11.1780 -10.3272 -10.3272 -9.8248 -9.8248 -9.7282 -9.7282 -9.7226 -9.7226 -6.8238 -6.8238 -6.6266 -6.6266 -4.9911 -4.9911 6.7103 6.7103 6.7209 6.7209 6.7407 6.7407 6.7801 6.7801 6.8856 6.8856 7.5946 7.5946 9.3621 9.3621 9.4050 9.4050 9.6289 9.6289 13.9820 13.9820 14.6855 14.6855 14.7766 14.7766 14.7855 14.7855 k = 0.0300 0.0173-0.0000 ( 2559 PWs) bands (ev): -30.3686 -30.3686 -30.2949 -30.2949 -11.6065 -11.6065 -11.1801 -11.1801 -10.3292 -10.3292 -9.8291 -9.8291 -9.7339 -9.7339 -9.7230 -9.7230 -6.8144 -6.8144 -6.6195 -6.6195 -4.9936 -4.9936 6.7040 6.7040 6.7226 6.7226 6.7394 6.7394 6.7798 6.7798 6.8923 6.8923 7.6120 7.6120 9.3524 9.3524 9.3978 9.3978 9.6259 9.6259 13.9934 13.9934 14.6908 14.6908 14.7823 14.7823 14.7918 14.7918 k = 0.0400 0.0231-0.0000 ( 2563 PWs) bands (ev): -30.3682 -30.3682 -30.2947 -30.2947 -11.6069 -11.6069 -11.1830 -11.1830 -10.3319 -10.3319 -9.8351 -9.8351 -9.7418 -9.7418 -9.7236 -9.7236 -6.8013 -6.8013 -6.6097 -6.6097 -4.9972 -4.9972 6.6927 6.6927 6.7237 6.7237 6.7388 6.7388 6.7834 6.7834 6.9014 6.9014 7.6351 7.6351 9.3375 9.3375 9.3892 9.3892 9.6218 9.6218 14.0088 14.0088 14.6982 14.6982 14.7902 14.7902 14.8010 14.8010 k = 0.0500 0.0289-0.0000 ( 2561 PWs) bands (ev): -30.3676 -30.3676 -30.2944 -30.2944 -11.6075 -11.6075 -11.1868 -11.1868 -10.3355 -10.3355 -9.8425 -9.8425 -9.7518 -9.7518 -9.7244 -9.7244 -6.7847 -6.7847 -6.5972 -6.5972 -5.0017 -5.0017 6.6759 6.6759 6.7211 6.7211 6.7433 6.7433 6.7908 6.7908 6.9127 6.9127 7.6629 7.6629 9.3168 9.3168 9.3799 9.3799 9.6169 9.6169 14.0276 14.0276 14.7078 14.7078 14.8002 14.8002 14.8131 14.8131 k = 0.0600 0.0346-0.0000 ( 2559 PWs) bands (ev): -30.3669 -30.3669 -30.2941 -30.2941 -11.6082 -11.6082 -11.1914 -11.1914 -10.3399 -10.3399 -9.8514 -9.8514 -9.7637 -9.7637 -9.7253 -9.7253 -6.7647 -6.7647 -6.5822 -6.5822 -5.0071 -5.0071 6.6545 6.6545 6.7174 6.7174 6.7516 6.7516 6.8013 6.8013 6.9260 6.9260 7.6945 7.6945 9.2906 9.2906 9.3701 9.3701 9.6113 9.6113 14.0489 14.0489 14.7199 14.7199 14.8123 14.8123 14.8283 14.8283 k = 0.0700 0.0404-0.0000 ( 2561 PWs) bands (ev): -30.3661 -30.3661 -30.2937 -30.2937 -11.6091 -11.6091 -11.1969 -11.1969 -10.3450 -10.3450 -9.8614 -9.8614 -9.7773 -9.7773 -9.7265 -9.7265 -6.7416 -6.7416 -6.5647 -6.5647 -5.0135 -5.0135 6.6298 6.6298 6.7141 6.7141 6.7621 6.7621 6.8144 6.8144 6.9410 6.9410 7.7289 7.7289 9.2593 9.2593 9.3597 9.3597 9.6050 9.6050 14.0720 14.0720 14.7345 14.7345 14.8265 14.8265 14.8467 14.8467 k = 0.0800 0.0462-0.0000 ( 2559 PWs) bands (ev): -30.3652 -30.3652 -30.2932 -30.2932 -11.6102 -11.6102 -11.2032 -11.2032 -10.3510 -10.3510 -9.8726 -9.8726 -9.7925 -9.7925 -9.7278 -9.7278 -6.7155 -6.7155 -6.5450 -6.5450 -5.0207 -5.0207 6.6030 6.6030 6.7116 6.7116 6.7741 6.7741 6.8300 6.8300 6.9575 6.9575 7.7653 7.7653 9.2236 9.2236 9.3485 9.3485 9.5982 9.5982 14.0958 14.0958 14.7523 14.7523 14.8427 14.8427 14.8681 14.8681 k = 0.0900 0.0520-0.0000 ( 2555 PWs) bands (ev): -30.3641 -30.3641 -30.2927 -30.2927 -11.6114 -11.6114 -11.2103 -11.2103 -10.3577 -10.3577 -9.8847 -9.8847 -9.8090 -9.8090 -9.7293 -9.7293 -6.6868 -6.6868 -6.5232 -6.5232 -5.0287 -5.0287 6.5751 6.5751 6.7099 6.7099 6.7875 6.7875 6.8480 6.8480 6.9752 6.9752 7.8030 7.8030 9.1840 9.1840 9.3364 9.3364 9.5909 9.5909 14.1195 14.1195 14.7734 14.7734 14.8607 14.8607 14.8925 14.8925 k = 0.1000 0.0577-0.0000 ( 2559 PWs) bands (ev): -30.3630 -30.3630 -30.2922 -30.2922 -11.6130 -11.6130 -11.2183 -11.2183 -10.3652 -10.3652 -9.8976 -9.8976 -9.8266 -9.8266 -9.7309 -9.7309 -6.6556 -6.6556 -6.4994 -6.4994 -5.0374 -5.0374 6.5468 6.5468 6.7092 6.7092 6.8020 6.8020 6.8682 6.8682 6.9942 6.9942 7.8413 7.8413 9.1413 9.1413 9.3235 9.3235 9.5831 9.5831 14.1422 14.1422 14.7983 14.7983 14.8804 14.8804 14.9198 14.9198 k = 0.1100 0.0635-0.0000 ( 2571 PWs) bands (ev): -30.3617 -30.3617 -30.2916 -30.2916 -11.6148 -11.6148 -11.2272 -11.2272 -10.3735 -10.3735 -9.9114 -9.9114 -9.8450 -9.8450 -9.7328 -9.7328 -6.6222 -6.6222 -6.4738 -6.4738 -5.0469 -5.0469 6.5186 6.5186 6.7094 6.7094 6.8176 6.8176 6.8908 6.8908 7.0140 7.0140 7.8796 7.8796 9.0959 9.0959 9.3097 9.3097 9.5749 9.5749 14.1632 14.1632 14.8270 14.8270 14.9016 14.9016 14.9499 14.9499 k = 0.1200 0.0693-0.0000 ( 2563 PWs) bands (ev): -30.3604 -30.3604 -30.2910 -30.2910 -11.6168 -11.6168 -11.2369 -11.2369 -10.3825 -10.3825 -9.9259 -9.9259 -9.8638 -9.8638 -9.7349 -9.7349 -6.5869 -6.5869 -6.4466 -6.4466 -5.0570 -5.0570 6.4909 6.4909 6.7105 6.7105 6.8342 6.8342 6.9155 6.9155 7.0347 7.0347 7.9173 7.9173 9.0487 9.0487 9.2951 9.2951 9.5663 9.5663 14.1820 14.1820 14.8595 14.8595 14.9243 14.9243 14.9826 14.9826 k = 0.1300 0.0751-0.0000 ( 2563 PWs) bands (ev): -30.3589 -30.3589 -30.2903 -30.2903 -11.6191 -11.6191 -11.2474 -11.2474 -10.3921 -10.3921 -9.9412 -9.9412 -9.8826 -9.8826 -9.7371 -9.7371 -6.5500 -6.5500 -6.4179 -6.4179 -5.0675 -5.0675 6.4641 6.4641 6.7127 6.7127 6.8517 6.8517 6.9424 6.9424 7.0561 7.0561 7.9539 7.9539 9.0002 9.0002 9.2798 9.2798 9.5573 9.5573 14.1983 14.1983 14.8954 14.8954 14.9483 14.9483 15.0178 15.0178 k = 0.1400 0.0808-0.0000 ( 2563 PWs) bands (ev): -30.3573 -30.3573 -30.2896 -30.2896 -11.6218 -11.6218 -11.2588 -11.2588 -10.4024 -10.4024 -9.9574 -9.9574 -9.9009 -9.9009 -9.7395 -9.7395 -6.5118 -6.5118 -6.3879 -6.3879 -5.0786 -5.0786 6.4384 6.4384 6.7158 6.7158 6.8700 6.8700 6.9714 6.9714 7.0778 7.0778 7.9890 7.9890 8.9512 8.9512 9.2638 9.2638 9.5478 9.5478 14.2121 14.2121 14.9340 14.9340 14.9733 14.9733 15.0554 15.0554 k = 0.1500 0.0866-0.0000 ( 2555 PWs) bands (ev): -30.3557 -30.3557 -30.2888 -30.2888 -11.6248 -11.6248 -11.2710 -11.2710 -10.4131 -10.4131 -9.9748 -9.9748 -9.9183 -9.9183 -9.7421 -9.7421 -6.4727 -6.4727 -6.3566 -6.3566 -5.0899 -5.0899 6.4140 6.4140 6.7199 6.7199 6.8890 6.8890 7.0022 7.0022 7.0999 7.0999 8.0220 8.0220 8.9025 8.9025 9.2473 9.2473 9.5379 9.5379 14.2237 14.2237 14.9745 14.9745 14.9993 14.9993 15.0952 15.0952 k = 0.1600 0.0924-0.0000 ( 2551 PWs) bands (ev): -30.3540 -30.3540 -30.2880 -30.2880 -11.6282 -11.6282 -11.2840 -11.2840 -10.4242 -10.4242 -9.9934 -9.9934 -9.9344 -9.9344 -9.7448 -9.7448 -6.4329 -6.4329 -6.3244 -6.3244 -5.1015 -5.1015 6.3910 6.3910 6.7252 6.7252 6.9088 6.9088 7.0350 7.0350 7.1219 7.1219 8.0525 8.0525 8.8547 8.8547 9.2302 9.2302 9.5276 9.5276 14.2333 14.2333 15.0154 15.0154 15.0267 15.0267 15.1373 15.1373 k = 0.1700 0.0981-0.0000 ( 2547 PWs) bands (ev): -30.3521 -30.3521 -30.2872 -30.2872 -11.6320 -11.6320 -11.2978 -11.2978 -10.4357 -10.4357 -10.0132 -10.0132 -9.9490 -9.9490 -9.7476 -9.7476 -6.3928 -6.3928 -6.2911 -6.2911 -5.1132 -5.1132 6.3696 6.3696 6.7314 6.7314 6.9292 6.9292 7.0695 7.0695 7.1438 7.1438 8.0799 8.0799 8.8087 8.8087 9.2127 9.2127 9.5169 9.5169 14.2413 14.2413 15.0507 15.0507 15.0605 15.0605 15.1813 15.1813 k = 0.1800 0.1039-0.0000 ( 2555 PWs) bands (ev): -30.3503 -30.3503 -30.2864 -30.2864 -11.6361 -11.6361 -11.3123 -11.3123 -10.4474 -10.4474 -10.0340 -10.0340 -9.9621 -9.9621 -9.7507 -9.7507 -6.3528 -6.3528 -6.2570 -6.2570 -5.1249 -5.1249 6.3499 6.3499 6.7388 6.7388 6.9500 6.9500 7.1056 7.1056 7.1651 7.1651 8.1037 8.1037 8.7655 8.7655 9.1949 9.1949 9.5057 9.5057 14.2479 14.2479 15.0792 15.0792 15.1007 15.1007 15.2270 15.2270 k = 0.1900 0.1097-0.0000 ( 2551 PWs) bands (ev): -30.3483 -30.3483 -30.2856 -30.2856 -11.6407 -11.6407 -11.3276 -11.3276 -10.4591 -10.4591 -10.0555 -10.0555 -9.9739 -9.9739 -9.7539 -9.7539 -6.3133 -6.3133 -6.2221 -6.2221 -5.1365 -5.1365 6.3319 6.3319 6.7473 6.7473 6.9713 6.9713 7.1433 7.1433 7.1856 7.1856 8.1233 8.1233 8.7259 8.7259 9.1768 9.1768 9.4942 9.4942 14.2537 14.2537 15.1072 15.1072 15.1407 15.1407 15.2740 15.2740 k = 0.2000 0.1155-0.0000 ( 2555 PWs) bands (ev): -30.3463 -30.3463 -30.2847 -30.2847 -11.6457 -11.6457 -11.3435 -11.3435 -10.4708 -10.4708 -10.0773 -10.0773 -9.9844 -9.9844 -9.7572 -9.7572 -6.2745 -6.2745 -6.1865 -6.1865 -5.1477 -5.1477 6.3157 6.3157 6.7569 6.7569 6.9930 6.9930 7.1822 7.1822 7.2052 7.2052 8.1383 8.1383 8.6910 8.6910 9.1585 9.1585 9.4822 9.4822 14.2587 14.2587 15.1350 15.1350 15.1792 15.1792 15.3217 15.3217 k = 0.2100 0.1212-0.0000 ( 2551 PWs) bands (ev): -30.3442 -30.3442 -30.2839 -30.2839 -11.6511 -11.6511 -11.3601 -11.3601 -10.4824 -10.4824 -10.0993 -10.0993 -9.9938 -9.9938 -9.7606 -9.7606 -6.2368 -6.2368 -6.1504 -6.1504 -5.1584 -5.1584 6.3013 6.3013 6.7676 6.7676 7.0149 7.0149 7.2181 7.2181 7.2273 7.2273 8.1485 8.1485 8.6614 8.6614 9.1402 9.1402 9.4699 9.4699 14.2634 14.2634 15.1626 15.1626 15.2159 15.2159 15.3697 15.3697 k = 0.2200 0.1270-0.0000 ( 2549 PWs) bands (ev): -30.3421 -30.3421 -30.2830 -30.2830 -11.6569 -11.6569 -11.3772 -11.3772 -10.4937 -10.4937 -10.1213 -10.1213 -10.0022 -10.0022 -9.7642 -9.7642 -6.2004 -6.2004 -6.1139 -6.1139 -5.1685 -5.1685 6.2887 6.2887 6.7794 6.7794 7.0369 7.0369 7.2364 7.2364 7.2663 7.2663 8.1539 8.1539 8.6376 8.6376 9.1217 9.1217 9.4572 9.4572 14.2678 14.2678 15.1900 15.1900 15.2506 15.2506 15.4173 15.4173 k = 0.2300 0.1328-0.0000 ( 2549 PWs) bands (ev): -30.3400 -30.3400 -30.2822 -30.2822 -11.6631 -11.6631 -11.3949 -11.3949 -10.5046 -10.5046 -10.1431 -10.1431 -10.0098 -10.0098 -9.7679 -9.7679 -6.1656 -6.1656 -6.0772 -6.0772 -5.1777 -5.1777 6.2779 6.2779 6.7924 6.7924 7.0589 7.0589 7.2494 7.2494 7.3091 7.3091 8.1549 8.1549 8.6197 8.6197 9.1033 9.1033 9.4442 9.4442 14.2721 14.2721 15.2170 15.2170 15.2831 15.2831 15.4639 15.4639 k = 0.2400 0.1386-0.0000 ( 2551 PWs) bands (ev): -30.3378 -30.3378 -30.2813 -30.2813 -11.6697 -11.6697 -11.4130 -11.4130 -10.5150 -10.5150 -10.1645 -10.1645 -10.0164 -10.0164 -9.7716 -9.7716 -6.1324 -6.1324 -6.0407 -6.0407 -5.1859 -5.1859 6.2689 6.2689 6.8063 6.8063 7.0809 7.0809 7.2591 7.2591 7.3530 7.3530 8.1527 8.1527 8.6073 8.6073 9.0850 9.0850 9.4310 9.4310 14.2764 14.2764 15.2435 15.2435 15.3134 15.3134 15.5091 15.5091 k = 0.2500 0.1443-0.0000 ( 2547 PWs) bands (ev): -30.3356 -30.3356 -30.2805 -30.2805 -11.6765 -11.6765 -11.4315 -11.4315 -10.5249 -10.5249 -10.1856 -10.1856 -10.0223 -10.0223 -9.7755 -9.7755 -6.1010 -6.1010 -6.0048 -6.0048 -5.1928 -5.1928 6.2617 6.2617 6.8214 6.8214 7.1026 7.1026 7.2651 7.2651 7.3980 7.3980 8.1485 8.1485 8.5994 8.5994 9.0667 9.0667 9.4176 9.4176 14.2808 14.2808 15.2694 15.2694 15.3413 15.3413 15.5521 15.5521 k = 0.2600 0.1501-0.0000 ( 2551 PWs) bands (ev): -30.3333 -30.3333 -30.2797 -30.2797 -11.6838 -11.6838 -11.4504 -11.4504 -10.5341 -10.5341 -10.2061 -10.2061 -10.0274 -10.0274 -9.7795 -9.7795 -6.0713 -6.0713 -5.9697 -5.9697 -5.1982 -5.1982 6.2561 6.2561 6.8374 6.8374 7.1241 7.1241 7.2671 7.2671 7.4438 7.4438 8.1439 8.1439 8.5950 8.5950 9.0486 9.0486 9.4042 9.4042 14.2851 14.2851 15.2945 15.2945 15.3669 15.3669 15.5926 15.5926 k = 0.2700 0.1559-0.0000 ( 2551 PWs) bands (ev): -30.3311 -30.3311 -30.2789 -30.2789 -11.6912 -11.6912 -11.4694 -11.4694 -10.5427 -10.5427 -10.2261 -10.2261 -10.0319 -10.0319 -9.7836 -9.7836 -6.0435 -6.0435 -5.9358 -5.9358 -5.2020 -5.2020 6.2522 6.2522 6.8543 6.8543 7.1452 7.1452 7.2649 7.2649 7.4903 7.4903 8.1402 8.1402 8.5930 8.5930 9.0306 9.0306 9.3908 9.3908 14.2893 14.2893 15.3189 15.3189 15.3901 15.3901 15.6300 15.6300 k = 0.2800 0.1617-0.0000 ( 2555 PWs) bands (ev): -30.3289 -30.3289 -30.2781 -30.2781 -11.6989 -11.6989 -11.4886 -11.4886 -10.5505 -10.5505 -10.2455 -10.2455 -10.0357 -10.0357 -9.7877 -9.7877 -6.0176 -6.0176 -5.9033 -5.9033 -5.2038 -5.2038 6.2498 6.2498 6.8720 6.8720 7.1658 7.1658 7.2586 7.2586 7.5373 7.5373 8.1384 8.1384 8.5925 8.5925 9.0128 9.0128 9.3776 9.3776 14.2934 14.2934 15.3424 15.3424 15.4111 15.4111 15.6639 15.6639 k = 0.2900 0.1674-0.0000 ( 2559 PWs) bands (ev): -30.3266 -30.3266 -30.2774 -30.2774 -11.7067 -11.7067 -11.5078 -11.5078 -10.5576 -10.5576 -10.2643 -10.2643 -10.0389 -10.0389 -9.7920 -9.7920 -5.9939 -5.9939 -5.8724 -5.8724 -5.2036 -5.2036 6.2490 6.2490 6.8903 6.8903 7.1857 7.1857 7.2483 7.2483 7.5848 7.5848 8.1392 8.1392 8.5926 8.5926 8.9951 8.9951 9.3647 9.3647 14.2971 14.2971 15.3650 15.3650 15.4299 15.4299 15.6938 15.6938 k = 0.3000 0.1732-0.0000 ( 2559 PWs) bands (ev): -30.3244 -30.3244 -30.2767 -30.2767 -11.7146 -11.7146 -11.5270 -11.5270 -10.5640 -10.5640 -10.2824 -10.2824 -10.0415 -10.0415 -9.7962 -9.7962 -5.9722 -5.9722 -5.8433 -5.8433 -5.2013 -5.2013 6.2495 6.2495 6.9092 6.9092 7.2041 7.2041 7.2352 7.2352 7.6326 7.6326 8.1429 8.1429 8.5928 8.5928 8.9777 8.9777 9.3523 9.3523 14.3004 14.3004 15.3867 15.3867 15.4466 15.4466 15.7195 15.7195 k = 0.3100 0.1790-0.0000 ( 2559 PWs) bands (ev): -30.3222 -30.3222 -30.2760 -30.2760 -11.7225 -11.7225 -11.5461 -11.5461 -10.5696 -10.5696 -10.2998 -10.2998 -10.0436 -10.0436 -9.8005 -9.8005 -5.9529 -5.9529 -5.8161 -5.8161 -5.1968 -5.1968 6.2514 6.2514 6.9284 6.9284 7.2112 7.2112 7.2295 7.2295 7.6805 7.6805 8.1494 8.1494 8.5927 8.5927 8.9603 8.9603 9.3404 9.3404 14.3031 14.3031 15.4073 15.4073 15.4614 15.4614 15.7409 15.7409 k = 0.3200 0.1848-0.0000 ( 2563 PWs) bands (ev): -30.3200 -30.3200 -30.2754 -30.2754 -11.7304 -11.7304 -11.5649 -11.5649 -10.5744 -10.5744 -10.3166 -10.3166 -10.0452 -10.0452 -9.8049 -9.8049 -5.9359 -5.9359 -5.7906 -5.7906 -5.1902 -5.1902 6.2544 6.2544 6.9475 6.9475 7.1948 7.1948 7.2444 7.2444 7.7284 7.7284 8.1586 8.1586 8.5918 8.5918 8.9431 8.9431 9.3293 9.3293 14.3049 14.3049 15.4268 15.4268 15.4745 15.4745 15.7580 15.7580 k = 0.3300 0.1905-0.0000 ( 2559 PWs) bands (ev): -30.3179 -30.3179 -30.2748 -30.2748 -11.7382 -11.7382 -11.5834 -11.5834 -10.5785 -10.5785 -10.3326 -10.3326 -10.0464 -10.0464 -9.8092 -9.8092 -5.9212 -5.9212 -5.7669 -5.7669 -5.1816 -5.1816 6.2586 6.2586 6.9659 6.9659 7.1746 7.1746 7.2611 7.2611 7.7762 7.7762 8.1699 8.1699 8.5900 8.5900 8.9259 8.9259 9.3191 9.3191 14.3058 14.3058 15.4451 15.4451 15.4861 15.4861 15.7709 15.7709 k = 0.3400 0.1963-0.0000 ( 2555 PWs) bands (ev): -30.3158 -30.3158 -30.2743 -30.2743 -11.7458 -11.7458 -11.6016 -11.6016 -10.5819 -10.5819 -10.3479 -10.3479 -10.0471 -10.0471 -9.8135 -9.8135 -5.9089 -5.9089 -5.7449 -5.7449 -5.1712 -5.1712 6.2638 6.2638 6.9828 6.9828 7.1542 7.1542 7.2773 7.2773 7.8238 7.8238 8.1830 8.1830 8.5873 8.5873 8.9088 8.9088 9.3099 9.3099 14.3055 14.3055 15.4618 15.4618 15.4968 15.4968 15.7800 15.7800 k = 0.3500 0.2021-0.0000 ( 2555 PWs) bands (ev): -30.3137 -30.3137 -30.2738 -30.2738 -11.7532 -11.7532 -11.6193 -11.6193 -10.5847 -10.5847 -10.3626 -10.3626 -10.0475 -10.0475 -9.8178 -9.8178 -5.8989 -5.8989 -5.7245 -5.7245 -5.1594 -5.1594 6.2698 6.2698 6.9964 6.9964 7.1361 7.1361 7.2926 7.2926 7.8709 7.8709 8.1973 8.1973 8.5835 8.5835 8.8917 8.8917 9.3018 9.3018 14.3038 14.3038 15.4765 15.4765 15.5071 15.5071 15.7857 15.7857 k = 0.3600 0.2078-0.0000 ( 2549 PWs) bands (ev): -30.3117 -30.3117 -30.2734 -30.2734 -11.7602 -11.7602 -11.6364 -11.6364 -10.5868 -10.5868 -10.3764 -10.3764 -10.0475 -10.0475 -9.8220 -9.8220 -5.8910 -5.8910 -5.7055 -5.7055 -5.1463 -5.1463 6.2766 6.2766 7.0036 7.0036 7.1237 7.1237 7.3070 7.3070 7.9175 7.9175 8.2124 8.2124 8.5787 8.5787 8.8745 8.8745 9.2949 9.2949 14.3008 14.3008 15.4887 15.4887 15.5177 15.5177 15.7886 15.7886 k = 0.3700 0.2136-0.0000 ( 2549 PWs) bands (ev): -30.3098 -30.3098 -30.2730 -30.2730 -11.7669 -11.7669 -11.6530 -11.6530 -10.5883 -10.5883 -10.3896 -10.3896 -10.0472 -10.0472 -9.8262 -9.8262 -5.8851 -5.8851 -5.6879 -5.6879 -5.1324 -5.1324 6.2841 6.2841 7.0013 7.0013 7.1206 7.1206 7.3205 7.3205 7.9633 7.9633 8.2277 8.2277 8.5731 8.5731 8.8571 8.8571 9.2892 9.2892 14.2963 14.2963 15.4979 15.4979 15.5293 15.5293 15.7893 15.7893 k = 0.3800 0.2194-0.0000 ( 2543 PWs) bands (ev): -30.3080 -30.3080 -30.2727 -30.2727 -11.7730 -11.7730 -11.6688 -11.6688 -10.5893 -10.5893 -10.4020 -10.4020 -10.0466 -10.0466 -9.8303 -9.8303 -5.8808 -5.8808 -5.6717 -5.6717 -5.1181 -5.1181 6.2920 6.2920 6.9896 6.9896 7.1266 7.1266 7.3330 7.3330 8.0082 8.0082 8.2429 8.2429 8.5666 8.5666 8.8396 8.8396 9.2846 9.2846 14.2905 14.2905 15.5046 15.5046 15.5414 15.5414 15.7883 15.7883 k = 0.3900 0.2252-0.0000 ( 2537 PWs) bands (ev): -30.3062 -30.3062 -30.2724 -30.2724 -11.7786 -11.7786 -11.6839 -11.6839 -10.5897 -10.5897 -10.4137 -10.4137 -10.0458 -10.0458 -9.8342 -9.8342 -5.8779 -5.8779 -5.6567 -5.6567 -5.1036 -5.1036 6.3002 6.3002 6.9723 6.9723 7.1386 7.1386 7.3445 7.3445 8.0521 8.0521 8.2578 8.2578 8.5596 8.5596 8.8219 8.8219 9.2813 9.2813 14.2833 14.2833 15.5093 15.5093 15.5537 15.5537 15.7861 15.7861 k = 0.4000 0.2309-0.0000 ( 2535 PWs) bands (ev): -30.3045 -30.3045 -30.2722 -30.2722 -11.7837 -11.7837 -11.6983 -11.6983 -10.5897 -10.5897 -10.4247 -10.4247 -10.0449 -10.0449 -9.8380 -9.8380 -5.8763 -5.8763 -5.6430 -5.6430 -5.0894 -5.0894 6.3086 6.3086 6.9524 6.9524 7.1533 7.1533 7.3550 7.3550 8.0947 8.0947 8.2719 8.2719 8.5521 8.5521 8.8039 8.8039 9.2789 9.2789 14.2751 14.2751 15.5128 15.5128 15.5656 15.5656 15.7833 15.7833 k = 0.4100 0.2367-0.0000 ( 2539 PWs) bands (ev): -30.3030 -30.3030 -30.2720 -30.2720 -11.7881 -11.7881 -11.7117 -11.7117 -10.5893 -10.5893 -10.4349 -10.4349 -10.0438 -10.0438 -9.8416 -9.8416 -5.8755 -5.8755 -5.6306 -5.6306 -5.0757 -5.0757 6.3170 6.3170 6.9320 6.9320 7.1689 7.1689 7.3645 7.3645 8.1358 8.1358 8.2852 8.2852 8.5445 8.5445 8.7856 8.7856 9.2776 9.2776 14.2660 14.2660 15.5154 15.5154 15.5769 15.5769 15.7801 15.7801 k = 0.4200 0.2425-0.0000 ( 2534 PWs) bands (ev): -30.3016 -30.3016 -30.2719 -30.2719 -11.7917 -11.7917 -11.7243 -11.7243 -10.5886 -10.5886 -10.4443 -10.4443 -10.0426 -10.0426 -9.8449 -9.8449 -5.8754 -5.8754 -5.6194 -5.6194 -5.0628 -5.0628 6.3253 6.3253 6.9121 6.9121 7.1843 7.1843 7.3729 7.3729 8.1750 8.1750 8.2975 8.2975 8.5369 8.5369 8.7672 8.7672 9.2770 9.2770 14.2564 14.2564 15.5172 15.5172 15.5873 15.5873 15.7768 15.7768 k = 0.4300 0.2483-0.0000 ( 2538 PWs) bands (ev): -30.3003 -30.3003 -30.2718 -30.2718 -11.7946 -11.7946 -11.7360 -11.7360 -10.5876 -10.5876 -10.4528 -10.4528 -10.0415 -10.0415 -9.8480 -9.8480 -5.8758 -5.8758 -5.6095 -5.6095 -5.0508 -5.0508 6.3332 6.3332 6.8934 6.8934 7.1988 7.1988 7.3804 7.3804 8.2120 8.2120 8.3089 8.3089 8.5296 8.5296 8.7486 8.7486 9.2771 9.2771 14.2466 14.2466 15.5186 15.5186 15.5967 15.5967 15.7737 15.7737 k = 0.4400 0.2540-0.0000 ( 2532 PWs) bands (ev): -30.2991 -30.2991 -30.2717 -30.2717 -11.7967 -11.7967 -11.7467 -11.7467 -10.5864 -10.5864 -10.4605 -10.4605 -10.0403 -10.0403 -9.8508 -9.8508 -5.8765 -5.8765 -5.6009 -5.6009 -5.0401 -5.0401 6.3406 6.3406 6.8765 6.8765 7.2121 7.2121 7.3869 7.3869 8.2461 8.2461 8.3196 8.3196 8.5228 8.5228 8.7301 8.7301 9.2776 9.2776 14.2371 14.2371 15.5195 15.5195 15.6051 15.6051 15.7709 15.7709 k = 0.4500 0.2598-0.0000 ( 2538 PWs) bands (ev): -30.2981 -30.2981 -30.2717 -30.2717 -11.7979 -11.7979 -11.7565 -11.7565 -10.5851 -10.5851 -10.4672 -10.4672 -10.0393 -10.0393 -9.8532 -9.8532 -5.8774 -5.8774 -5.5936 -5.5936 -5.0308 -5.0308 6.3473 6.3473 6.8616 6.8616 7.2239 7.2239 7.3923 7.3923 8.2761 8.2761 8.3301 8.3301 8.5166 8.5166 8.7120 8.7120 9.2785 9.2785 14.2282 14.2282 15.5202 15.5202 15.6123 15.6123 15.7685 15.7685 k = 0.4600 0.2656-0.0000 ( 2526 PWs) bands (ev): -30.2973 -30.2973 -30.2717 -30.2717 -11.7982 -11.7982 -11.7652 -11.7652 -10.5838 -10.5838 -10.4729 -10.4729 -10.0383 -10.0383 -9.8553 -9.8553 -5.8783 -5.8783 -5.5876 -5.5876 -5.0230 -5.0230 6.3531 6.3531 6.8490 6.8490 7.2338 7.2338 7.3968 7.3968 8.3000 8.3000 8.3420 8.3420 8.5113 8.5113 8.6949 8.6949 9.2794 9.2794 14.2203 14.2203 15.5206 15.5206 15.6183 15.6183 15.7665 15.7665 k = 0.4700 0.2714-0.0000 ( 2528 PWs) bands (ev): -30.2966 -30.2966 -30.2717 -30.2717 -11.7976 -11.7976 -11.7729 -11.7729 -10.5827 -10.5827 -10.4775 -10.4775 -10.0375 -10.0375 -9.8569 -9.8569 -5.8790 -5.8790 -5.5829 -5.5829 -5.0168 -5.0168 6.3579 6.3579 6.8389 6.8389 7.2417 7.2417 7.4003 7.4003 8.3157 8.3157 8.3563 8.3563 8.5069 8.5069 8.6794 8.6794 9.2804 9.2804 14.2138 14.2138 15.5209 15.5209 15.6231 15.6231 15.7650 15.7650 k = 0.4800 0.2771-0.0000 ( 2532 PWs) bands (ev): -30.2961 -30.2961 -30.2717 -30.2717 -11.7960 -11.7960 -11.7795 -11.7795 -10.5817 -10.5817 -10.4809 -10.4809 -10.0370 -10.0370 -9.8581 -9.8581 -5.8797 -5.8797 -5.5795 -5.5795 -5.0123 -5.0123 6.3614 6.3614 6.8316 6.8316 7.2474 7.2474 7.4028 7.4028 8.3244 8.3244 8.3708 8.3708 8.5037 8.5037 8.6668 8.6668 9.2811 9.2811 14.2089 14.2089 15.5210 15.5210 15.6265 15.6265 15.7639 15.7639 k = 0.4900 0.2829-0.0000 ( 2532 PWs) bands (ev): -30.2958 -30.2958 -30.2717 -30.2717 -11.7934 -11.7934 -11.7852 -11.7852 -10.5811 -10.5811 -10.4829 -10.4829 -10.0366 -10.0366 -9.8589 -9.8589 -5.8800 -5.8800 -5.5775 -5.5775 -5.0096 -5.0096 6.3635 6.3635 6.8271 6.8271 7.2509 7.2509 7.4043 7.4043 8.3286 8.3286 8.3813 8.3813 8.5017 8.5017 8.6585 8.6585 9.2816 9.2816 14.2059 14.2059 15.5211 15.5211 15.6285 15.6285 15.7632 15.7632 k = 0.5000 0.2887-0.0000 ( 2522 PWs) bands (ev): -30.2957 -30.2957 -30.2717 -30.2717 -11.7901 -11.7901 -11.7895 -11.7895 -10.5809 -10.5809 -10.4836 -10.4836 -10.0365 -10.0365 -9.8591 -9.8591 -5.8802 -5.8802 -5.5768 -5.5768 -5.0087 -5.0087 6.3643 6.3643 6.8256 6.8256 7.2521 7.2521 7.4048 7.4048 8.3299 8.3299 8.3851 8.3851 8.5010 8.5010 8.6555 8.6555 9.2818 9.2818 14.2049 14.2049 15.5212 15.5212 15.6292 15.6292 15.7631 15.7631 k = 0.5000 0.2887-0.0000 ( 2522 PWs) bands (ev): -30.2957 -30.2957 -30.2717 -30.2717 -11.7901 -11.7901 -11.7895 -11.7895 -10.5809 -10.5809 -10.4836 -10.4836 -10.0365 -10.0365 -9.8591 -9.8591 -5.8802 -5.8802 -5.5768 -5.5768 -5.0087 -5.0087 6.3643 6.3643 6.8256 6.8256 7.2521 7.2521 7.4048 7.4048 8.3299 8.3299 8.3851 8.3851 8.5010 8.5010 8.6555 8.6555 9.2818 9.2818 14.2049 14.2049 15.5212 15.5212 15.6292 15.6292 15.7631 15.7631 k = 0.4943 0.2986-0.0000 ( 2530 PWs) bands (ev): -30.2957 -30.2957 -30.2717 -30.2717 -11.7989 -11.7989 -11.7804 -11.7804 -10.5832 -10.5832 -10.4818 -10.4818 -10.0369 -10.0369 -9.8594 -9.8594 -5.8792 -5.8792 -5.5763 -5.5763 -5.0092 -5.0092 6.3655 6.3655 6.8264 6.8264 7.2519 7.2519 7.4046 7.4046 8.3262 8.3262 8.3832 8.3832 8.5031 8.5031 8.6586 8.6586 9.2807 9.2807 14.2017 14.2017 15.5099 15.5099 15.6440 15.6440 15.7631 15.7631 k = 0.4885 0.3086-0.0000 ( 2534 PWs) bands (ev): -30.2956 -30.2956 -30.2717 -30.2717 -11.8078 -11.8078 -11.7707 -11.7707 -10.5895 -10.5895 -10.4769 -10.4769 -10.0382 -10.0382 -9.8605 -9.8605 -5.8764 -5.8764 -5.5747 -5.5747 -5.0106 -5.0106 6.3691 6.3691 6.8286 6.8286 7.2513 7.2513 7.4042 7.4042 8.3151 8.3151 8.3784 8.3784 8.5089 8.5089 8.6672 8.6672 9.2775 9.2775 14.1923 14.1923 15.4867 15.4867 15.6774 15.6774 15.7633 15.7633 k = 0.4828 0.3185-0.0000 ( 2534 PWs) bands (ev): -30.2954 -30.2954 -30.2717 -30.2717 -11.8163 -11.8163 -11.7607 -11.7607 -10.5991 -10.5991 -10.4697 -10.4697 -10.0404 -10.0404 -9.8622 -9.8622 -5.8716 -5.8716 -5.5720 -5.5720 -5.0131 -5.0131 6.3752 6.3752 6.8323 6.8323 7.2504 7.2504 7.4035 7.4035 8.2968 8.2968 8.3723 8.3723 8.5179 8.5179 8.6802 8.6802 9.2721 9.2721 14.1768 14.1768 15.4624 15.4624 15.7166 15.7166 15.7652 15.7652 k = 0.4770 0.3285-0.0000 ( 2538 PWs) bands (ev): -30.2952 -30.2952 -30.2717 -30.2717 -11.8246 -11.8246 -11.7505 -11.7505 -10.6109 -10.6109 -10.4611 -10.4611 -10.0433 -10.0433 -9.8646 -9.8646 -5.8651 -5.8651 -5.5683 -5.5683 -5.0165 -5.0165 6.3837 6.3837 6.8375 6.8375 7.2492 7.2492 7.4025 7.4025 8.2724 8.2724 8.3660 8.3660 8.5295 8.5295 8.6959 8.6959 9.2645 9.2645 14.1558 14.1558 15.4409 15.4409 15.7470 15.7470 15.7783 15.7783 k = 0.4713 0.3384-0.0000 ( 2544 PWs) bands (ev): -30.2949 -30.2949 -30.2717 -30.2717 -11.8326 -11.8326 -11.7400 -11.7400 -10.6245 -10.6245 -10.4518 -10.4518 -10.0471 -10.0471 -9.8676 -9.8676 -5.8568 -5.8568 -5.5635 -5.5635 -5.0208 -5.0208 6.3946 6.3946 6.8442 6.8442 7.2476 7.2476 7.4012 7.4012 8.2430 8.2430 8.3601 8.3601 8.5430 8.5430 8.7133 8.7133 9.2550 9.2550 14.1296 14.1296 15.4233 15.4233 15.7537 15.7537 15.8146 15.8146 k = 0.4655 0.3484-0.0000 ( 2552 PWs) bands (ev): -30.2946 -30.2946 -30.2717 -30.2717 -11.8403 -11.8403 -11.7292 -11.7292 -10.6393 -10.6393 -10.4420 -10.4420 -10.0515 -10.0515 -9.8712 -9.8712 -5.8469 -5.8469 -5.5578 -5.5578 -5.0261 -5.0261 6.4078 6.4078 6.8523 6.8523 7.2458 7.2458 7.3994 7.3994 8.2100 8.2100 8.3548 8.3548 8.5581 8.5581 8.7312 8.7312 9.2435 9.2435 14.0989 14.0989 15.4101 15.4101 15.7542 15.7542 15.8544 15.8544 k = 0.4598 0.3584-0.0000 ( 2548 PWs) bands (ev): -30.2942 -30.2942 -30.2717 -30.2717 -11.8477 -11.8477 -11.7182 -11.7182 -10.6552 -10.6552 -10.4319 -10.4319 -10.0565 -10.0565 -9.8754 -9.8754 -5.8354 -5.8354 -5.5512 -5.5512 -5.0322 -5.0322 6.4233 6.4233 6.8618 6.8618 7.2438 7.2438 7.3973 7.3973 8.1742 8.1742 8.3501 8.3501 8.5744 8.5744 8.7491 8.7491 9.2302 9.2302 14.0644 14.0644 15.4012 15.4012 15.7537 15.7537 15.8905 15.8905 k = 0.4540 0.3683-0.0000 ( 2544 PWs) bands (ev): -30.2938 -30.2938 -30.2717 -30.2717 -11.8548 -11.8548 -11.7070 -11.7070 -10.6719 -10.6719 -10.4217 -10.4217 -10.0621 -10.0621 -9.8802 -9.8802 -5.8225 -5.8225 -5.5438 -5.5438 -5.0392 -5.0392 6.4411 6.4411 6.8727 6.8727 7.2417 7.2417 7.3947 7.3947 8.1363 8.1363 8.3461 8.3461 8.5916 8.5916 8.7665 8.7665 9.2151 9.2151 14.0267 14.0267 15.3965 15.3965 15.7528 15.7528 15.9205 15.9205 k = 0.4483 0.3783-0.0000 ( 2542 PWs) bands (ev): -30.2933 -30.2933 -30.2717 -30.2717 -11.8616 -11.8616 -11.6957 -11.6957 -10.6893 -10.6893 -10.4116 -10.4116 -10.0682 -10.0682 -9.8854 -9.8854 -5.8083 -5.8083 -5.5355 -5.5355 -5.0470 -5.0470 6.4611 6.4611 6.8850 6.8850 7.2394 7.2394 7.3916 7.3916 8.0968 8.0968 8.3428 8.3428 8.6095 8.6095 8.7831 8.7831 9.1984 9.1984 13.9864 13.9864 15.3958 15.3958 15.7521 15.7521 15.9436 15.9436 k = 0.4425 0.3882-0.0000 ( 2542 PWs) bands (ev): -30.2927 -30.2927 -30.2718 -30.2718 -11.8682 -11.8682 -11.6842 -11.6842 -10.7073 -10.7073 -10.4014 -10.4014 -10.0748 -10.0748 -9.8911 -9.8911 -5.7930 -5.7930 -5.5265 -5.5265 -5.0556 -5.0556 6.4832 6.4832 6.8985 6.8985 7.2371 7.2371 7.3878 7.3878 8.0561 8.0561 8.3401 8.3401 8.6278 8.6278 8.7988 8.7988 9.1804 9.1804 13.9443 13.9443 15.3989 15.3989 15.7515 15.7515 15.9599 15.9599 k = 0.4368 0.3982-0.0000 ( 2542 PWs) bands (ev): -30.2921 -30.2921 -30.2718 -30.2718 -11.8745 -11.8745 -11.6725 -11.6725 -10.7258 -10.7258 -10.3913 -10.3913 -10.0817 -10.0817 -9.8972 -9.8972 -5.7768 -5.7768 -5.5169 -5.5169 -5.0648 -5.0648 6.5073 6.5073 6.9133 6.9133 7.2348 7.2348 7.3835 7.3835 8.0145 8.0145 8.3380 8.3380 8.6464 8.6464 8.8134 8.8134 9.1610 9.1610 13.9009 13.9009 15.4053 15.4053 15.7511 15.7511 15.9704 15.9704 k = 0.4310 0.4081-0.0000 ( 2536 PWs) bands (ev): -30.2915 -30.2915 -30.2719 -30.2719 -11.8806 -11.8806 -11.6608 -11.6608 -10.7447 -10.7447 -10.3813 -10.3813 -10.0888 -10.0888 -9.9036 -9.9036 -5.7598 -5.7598 -5.5066 -5.5066 -5.0748 -5.0748 6.5333 6.5333 6.9293 6.9293 7.2325 7.2325 7.3785 7.3785 7.9724 7.9724 8.3365 8.3365 8.6651 8.6651 8.8269 8.8269 9.1407 9.1407 13.8567 13.8567 15.4148 15.4148 15.7512 15.7512 15.9762 15.9762 k = 0.4253 0.4181-0.0000 ( 2536 PWs) bands (ev): -30.2908 -30.2908 -30.2719 -30.2719 -11.8864 -11.8864 -11.6491 -11.6491 -10.7638 -10.7638 -10.3713 -10.3713 -10.0962 -10.0962 -9.9102 -9.9102 -5.7423 -5.7423 -5.4959 -5.4959 -5.0853 -5.0853 6.5613 6.5613 6.9464 6.9464 7.2304 7.2304 7.3726 7.3726 7.9299 7.9299 8.3354 8.3354 8.6837 8.6837 8.8392 8.8392 9.1196 9.1196 13.8123 13.8123 15.4271 15.4271 15.7518 15.7518 15.9785 15.9785 k = 0.4195 0.4280-0.0000 ( 2528 PWs) bands (ev): -30.2901 -30.2901 -30.2720 -30.2720 -11.8919 -11.8919 -11.6374 -11.6374 -10.7830 -10.7830 -10.3614 -10.3614 -10.1038 -10.1038 -9.9170 -9.9170 -5.7244 -5.7244 -5.4846 -5.4846 -5.0963 -5.0963 6.5909 6.5909 6.9644 6.9644 7.2285 7.2285 7.3660 7.3660 7.8873 7.8873 8.3347 8.3347 8.7021 8.7021 8.8504 8.8504 9.0980 9.0980 13.7682 13.7682 15.4419 15.4419 15.7529 15.7529 15.9781 15.9781 k = 0.4138 0.4380-0.0000 ( 2528 PWs) bands (ev): -30.2893 -30.2893 -30.2721 -30.2721 -11.8971 -11.8971 -11.6258 -11.6258 -10.8022 -10.8022 -10.3515 -10.3515 -10.1116 -10.1116 -9.9239 -9.9239 -5.7065 -5.7065 -5.4729 -5.4729 -5.1078 -5.1078 6.6222 6.6222 6.9833 6.9833 7.2268 7.2268 7.3585 7.3585 7.8447 7.8447 8.3343 8.3343 8.7202 8.7202 8.8604 8.8604 9.0762 9.0762 13.7247 13.7247 15.4590 15.4590 15.7547 15.7547 15.9755 15.9755 k = 0.4080 0.4479-0.0000 ( 2524 PWs) bands (ev): -30.2885 -30.2885 -30.2723 -30.2723 -11.9021 -11.9021 -11.6143 -11.6143 -10.8212 -10.8212 -10.3418 -10.3418 -10.1194 -10.1194 -9.9308 -9.9308 -5.6886 -5.6886 -5.4609 -5.4609 -5.1197 -5.1197 6.6550 6.6550 7.0029 7.0029 7.2255 7.2255 7.3501 7.3501 7.8024 7.8024 8.3340 8.3340 8.7377 8.7377 8.8693 8.8693 9.0544 9.0544 13.6823 13.6823 15.4781 15.4781 15.7572 15.7572 15.9714 15.9714 k = 0.4023 0.4579-0.0000 ( 2522 PWs) bands (ev): -30.2877 -30.2877 -30.2724 -30.2724 -11.9068 -11.9068 -11.6031 -11.6031 -10.8399 -10.8399 -10.3322 -10.3322 -10.1273 -10.1273 -9.9376 -9.9376 -5.6712 -5.6712 -5.4485 -5.4485 -5.1319 -5.1319 6.6891 6.6891 7.0229 7.0229 7.2245 7.2245 7.3408 7.3408 7.7604 7.7604 8.3337 8.3337 8.7547 8.7547 8.8771 8.8771 9.0330 9.0330 13.6413 13.6413 15.4989 15.4989 15.7605 15.7605 15.9658 15.9658 k = 0.3966 0.4679-0.0000 ( 2522 PWs) bands (ev): -30.2869 -30.2869 -30.2726 -30.2726 -11.9112 -11.9112 -11.5923 -11.5923 -10.8581 -10.8581 -10.3226 -10.3226 -10.1351 -10.1351 -9.9442 -9.9442 -5.6543 -5.6543 -5.4358 -5.4358 -5.1443 -5.1443 6.7245 6.7245 7.0431 7.0431 7.2241 7.2241 7.3305 7.3305 7.7191 7.7191 8.3333 8.3333 8.7709 8.7709 8.8838 8.8838 9.0123 9.0123 13.6020 13.6020 15.5214 15.5214 15.7646 15.7646 15.9591 15.9591 k = 0.3908 0.4778-0.0000 ( 2518 PWs) bands (ev): -30.2860 -30.2860 -30.2728 -30.2728 -11.9153 -11.9153 -11.5819 -11.5819 -10.8756 -10.8756 -10.3132 -10.3132 -10.1430 -10.1430 -9.9506 -9.9506 -5.6382 -5.6382 -5.4229 -5.4229 -5.1569 -5.1569 6.7608 6.7608 7.0630 7.0630 7.2245 7.2245 7.3192 7.3192 7.6785 7.6785 8.3326 8.3326 8.7862 8.7862 8.8895 8.8895 8.9927 8.9927 13.5649 13.5649 15.5451 15.5451 15.7695 15.7695 15.9513 15.9513 k = 0.3851 0.4878-0.0000 ( 2514 PWs) bands (ev): -30.2852 -30.2852 -30.2731 -30.2731 -11.9192 -11.9192 -11.5720 -11.5720 -10.8922 -10.8922 -10.3040 -10.3040 -10.1509 -10.1509 -9.9566 -9.9566 -5.6232 -5.6232 -5.4098 -5.4098 -5.1694 -5.1694 6.7980 6.7980 7.0822 7.0822 7.2260 7.2260 7.3070 7.3070 7.6387 7.6387 8.3317 8.3317 8.8006 8.8006 8.8942 8.8942 8.9745 8.9745 13.5301 13.5301 15.5700 15.5700 15.7753 15.7753 15.9426 15.9426 k = 0.3793 0.4977-0.0000 ( 2516 PWs) bands (ev): -30.2843 -30.2843 -30.2734 -30.2734 -11.9227 -11.9227 -11.5628 -11.5628 -10.9077 -10.9077 -10.2950 -10.2950 -10.1586 -10.1586 -9.9623 -9.9623 -5.6094 -5.6094 -5.3966 -5.3966 -5.1819 -5.1819 6.8358 6.8358 7.0997 7.0997 7.2291 7.2291 7.2938 7.2938 7.6000 7.6000 8.3304 8.3304 8.8140 8.8140 8.8978 8.8978 8.9580 8.9580 13.4981 13.4981 15.5959 15.5959 15.7819 15.7819 15.9329 15.9329 k = 0.3736 0.5077-0.0000 ( 2514 PWs) bands (ev): -30.2834 -30.2834 -30.2737 -30.2737 -11.9258 -11.9258 -11.5544 -11.5544 -10.9220 -10.9220 -10.2862 -10.2862 -10.1663 -10.1663 -9.9674 -9.9674 -5.5971 -5.5971 -5.3834 -5.3834 -5.1942 -5.1942 6.8741 6.8741 7.1147 7.1147 7.2346 7.2346 7.2799 7.2799 7.5625 7.5625 8.3288 8.3288 8.8264 8.8264 8.9004 8.9004 8.9434 8.9434 13.4690 13.4690 15.6225 15.6225 15.7892 15.7892 15.9222 15.9222 k = 0.3678 0.5176-0.0000 ( 2514 PWs) bands (ev): -30.2826 -30.2826 -30.2741 -30.2741 -11.9286 -11.9286 -11.5469 -11.5469 -10.9348 -10.9348 -10.2777 -10.2777 -10.1738 -10.1738 -9.9721 -9.9721 -5.5863 -5.5863 -5.3704 -5.3704 -5.2062 -5.2062 6.9125 6.9125 7.1260 7.1260 7.2431 7.2431 7.2651 7.2651 7.5263 7.5263 8.3268 8.3268 8.8376 8.8376 8.9018 8.9018 8.9310 8.9310 13.4431 13.4431 15.6496 15.6496 15.7972 15.7972 15.9106 15.9106 k = 0.3621 0.5276-0.0000 ( 2522 PWs) bands (ev): -30.2817 -30.2817 -30.2746 -30.2746 -11.9311 -11.9311 -11.5404 -11.5404 -10.9460 -10.9460 -10.2696 -10.2696 -10.1810 -10.1810 -9.9762 -9.9762 -5.5771 -5.5771 -5.3578 -5.3578 -5.2177 -5.2177 6.9507 6.9507 7.1330 7.1330 7.2492 7.2492 7.2555 7.2555 7.4916 7.4916 8.3246 8.3246 8.8478 8.8478 8.9022 8.9022 8.9209 8.9209 13.4206 13.4206 15.6772 15.6772 15.8055 15.8055 15.8979 15.8979 k = 0.3563 0.5375-0.0000 ( 2518 PWs) bands (ev): -30.2809 -30.2809 -30.2751 -30.2751 -11.9331 -11.9331 -11.5350 -11.5350 -10.9553 -10.9553 -10.2620 -10.2620 -10.1878 -10.1878 -9.9796 -9.9796 -5.5696 -5.5696 -5.3458 -5.3458 -5.2284 -5.2284 6.9884 6.9884 7.1356 7.1356 7.2337 7.2337 7.2704 7.2704 7.4587 7.4587 8.3223 8.3223 8.8569 8.8569 8.9013 8.9013 8.9132 8.9132 13.4019 13.4019 15.7049 15.7049 15.8136 15.8136 15.8843 15.8843 k = 0.3506 0.5475-0.0000 ( 2514 PWs) bands (ev): -30.2800 -30.2800 -30.2756 -30.2756 -11.9348 -11.9348 -11.5308 -11.5308 -10.9626 -10.9626 -10.2552 -10.2552 -10.1940 -10.1940 -9.9823 -9.9823 -5.5639 -5.5639 -5.3351 -5.3351 -5.2380 -5.2380 7.0250 7.0250 7.1342 7.1342 7.2178 7.2178 7.2878 7.2878 7.4277 7.4277 8.3203 8.3203 8.8650 8.8650 8.8993 8.8993 8.9076 8.9076 13.3871 13.3871 15.7326 15.7326 15.8207 15.8207 15.8698 15.8698 k = 0.3448 0.5574-0.0000 ( 2514 PWs) bands (ev): -30.2792 -30.2792 -30.2762 -30.2762 -11.9360 -11.9360 -11.5278 -11.5278 -10.9679 -10.9679 -10.2495 -10.2495 -10.1992 -10.1992 -9.9842 -9.9842 -5.5599 -5.5599 -5.3261 -5.3261 -5.2459 -5.2459 7.0595 7.0595 7.1292 7.1292 7.2024 7.2024 7.3066 7.3066 7.3990 7.3990 8.3186 8.3186 8.8722 8.8722 8.8964 8.8964 8.9037 8.9037 13.3764 13.3764 15.7600 15.7600 15.8252 15.8252 15.8546 15.8546 k = 0.3391 0.5674-0.0000 ( 2514 PWs) bands (ev): -30.2784 -30.2784 -30.2769 -30.2769 -11.9367 -11.9367 -11.5261 -11.5261 -10.9711 -10.9711 -10.2456 -10.2456 -10.2028 -10.2028 -9.9854 -9.9854 -5.5575 -5.5575 -5.3201 -5.3201 -5.2512 -5.2512 7.0896 7.0896 7.1211 7.1211 7.1894 7.1894 7.3257 7.3257 7.3737 7.3737 8.3174 8.3174 8.8787 8.8787 8.8926 8.8926 8.9014 8.9014 13.3699 13.3699 15.7859 15.7859 15.8252 15.8252 15.8398 15.8398 k = 0.3333 0.5774-0.0000 ( 2514 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9369 -11.9369 -11.5255 -11.5255 -10.9722 -10.9722 -10.2442 -10.2442 -10.2041 -10.2041 -9.9858 -9.9858 -5.5568 -5.5568 -5.3180 -5.3180 -5.2530 -5.2530 7.1094 7.1094 7.1107 7.1107 7.1834 7.1834 7.3386 7.3386 7.3585 7.3585 8.3170 8.3170 8.8827 8.8827 8.8895 8.8895 8.9007 8.9007 13.3677 13.3677 15.8010 15.8010 15.8256 15.8256 15.8280 15.8280 k = 0.3333 0.5774-0.0000 ( 2514 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9369 -11.9369 -11.5255 -11.5255 -10.9722 -10.9722 -10.2442 -10.2442 -10.2041 -10.2041 -9.9858 -9.9858 -5.5568 -5.5568 -5.3180 -5.3180 -5.2530 -5.2530 7.1094 7.1094 7.1107 7.1107 7.1834 7.1834 7.3386 7.3386 7.3585 7.3585 8.3170 8.3170 8.8827 8.8827 8.8895 8.8895 8.9007 8.9007 13.3677 13.3677 15.8010 15.8010 15.8256 15.8256 15.8280 15.8280 k = 0.3275 0.5672-0.0000 ( 2514 PWs) bands (ev): -30.2784 -30.2784 -30.2769 -30.2769 -11.9367 -11.9367 -11.5260 -11.5260 -10.9711 -10.9711 -10.2456 -10.2456 -10.2029 -10.2029 -9.9854 -9.9854 -5.5575 -5.5575 -5.3200 -5.3200 -5.2513 -5.2513 7.0960 7.0960 7.1131 7.1131 7.1903 7.1903 7.3280 7.3280 7.3722 7.3722 8.3174 8.3174 8.8780 8.8780 8.8931 8.8931 8.9016 8.9016 13.3700 13.3700 15.7898 15.7898 15.8133 15.8133 15.8481 15.8481 k = 0.3216 0.5571-0.0000 ( 2518 PWs) bands (ev): -30.2793 -30.2793 -30.2761 -30.2761 -11.9359 -11.9359 -11.5276 -11.5276 -10.9680 -10.9680 -10.2491 -10.2491 -10.1996 -10.1996 -9.9842 -9.9842 -5.5597 -5.5597 -5.3253 -5.3253 -5.2472 -5.2472 7.0794 7.0794 7.1021 7.1021 7.2030 7.2030 7.3191 7.3191 7.3926 7.3926 8.3186 8.3186 8.8697 8.8697 8.8975 8.8975 8.9050 8.9050 13.3768 13.3768 15.7709 15.7709 15.7975 15.7975 15.8740 15.8740 k = 0.3158 0.5470-0.0000 ( 2512 PWs) bands (ev): -30.2802 -30.2802 -30.2755 -30.2755 -11.9344 -11.9344 -11.5301 -11.5301 -10.9628 -10.9628 -10.2538 -10.2538 -10.1953 -10.1953 -9.9821 -9.9821 -5.5632 -5.5632 -5.3327 -5.3327 -5.2420 -5.2420 7.0606 7.0606 7.0853 7.0853 7.2092 7.2092 7.3218 7.3218 7.4138 7.4138 8.3204 8.3204 8.8595 8.8595 8.9003 8.9003 8.9115 8.9115 13.3883 13.3883 15.7498 15.7498 15.7803 15.7803 15.9001 15.9001 k = 0.3099 0.5368-0.0000 ( 2508 PWs) bands (ev): -30.2813 -30.2813 -30.2748 -30.2748 -11.9324 -11.9324 -11.5332 -11.5332 -10.9558 -10.9558 -10.2592 -10.2592 -10.1905 -10.1905 -9.9792 -9.9792 -5.5678 -5.5678 -5.3413 -5.3413 -5.2367 -5.2367 7.0398 7.0398 7.0658 7.0658 7.2060 7.2060 7.3360 7.3360 7.4353 7.4353 8.3224 8.3224 8.8478 8.8478 8.9030 8.9030 8.9195 8.9195 13.4042 13.4042 15.7274 15.7274 15.7630 15.7630 15.9259 15.9259 k = 0.3041 0.5267-0.0000 ( 2508 PWs) bands (ev): -30.2823 -30.2823 -30.2742 -30.2742 -11.9298 -11.9298 -11.5369 -11.5369 -10.9472 -10.9472 -10.2648 -10.2648 -10.1856 -10.1856 -9.9755 -9.9755 -5.5735 -5.5735 -5.3507 -5.3507 -5.2320 -5.2320 7.0173 7.0173 7.0448 7.0448 7.1972 7.1972 7.3568 7.3568 7.4570 7.4570 8.3242 8.3242 8.8346 8.8346 8.9063 8.9063 8.9282 8.9282 13.4244 13.4244 15.7040 15.7040 15.7463 15.7463 15.9511 15.9511 k = 0.2982 0.5166-0.0000 ( 2510 PWs) bands (ev): -30.2835 -30.2835 -30.2737 -30.2737 -11.9265 -11.9265 -11.5409 -11.5409 -10.9371 -10.9371 -10.2704 -10.2704 -10.1806 -10.1806 -9.9711 -9.9711 -5.5801 -5.5801 -5.3606 -5.3606 -5.2282 -5.2282 6.9929 6.9929 7.0230 7.0230 7.1868 7.1868 7.3797 7.3797 7.4789 7.4789 8.3252 8.3252 8.8200 8.8200 8.9109 8.9109 8.9374 8.9374 13.4488 13.4488 15.6799 15.6799 15.7306 15.7306 15.9756 15.9756 k = 0.2924 0.5064-0.0000 ( 2502 PWs) bands (ev): -30.2848 -30.2848 -30.2732 -30.2732 -11.9226 -11.9226 -11.5450 -11.5450 -10.9256 -10.9256 -10.2759 -10.2759 -10.1758 -10.1758 -9.9661 -9.9661 -5.5876 -5.5876 -5.3711 -5.3711 -5.2254 -5.2254 6.9666 6.9666 7.0011 7.0011 7.1766 7.1766 7.4027 7.4027 7.5012 7.5012 8.3246 8.3246 8.8040 8.8040 8.9171 8.9171 8.9469 8.9469 13.4771 13.4771 15.6552 15.6552 15.7162 15.7162 15.9993 15.9993 k = 0.2865 0.4963-0.0000 ( 2508 PWs) bands (ev): -30.2861 -30.2861 -30.2728 -30.2728 -11.9180 -11.9180 -11.5491 -11.5491 -10.9130 -10.9130 -10.2813 -10.2813 -10.1710 -10.1710 -9.9604 -9.9604 -5.5957 -5.5957 -5.3821 -5.3821 -5.2238 -5.2238 6.9384 6.9384 6.9793 6.9793 7.1674 7.1674 7.4244 7.4244 7.5238 7.5238 8.3220 8.3220 8.7867 8.7867 8.9253 8.9253 8.9565 8.9565 13.5088 13.5088 15.6303 15.6303 15.7030 15.7030 16.0222 16.0222 k = 0.2807 0.4862-0.0000 ( 2508 PWs) bands (ev): -30.2875 -30.2875 -30.2724 -30.2724 -11.9127 -11.9127 -11.5529 -11.5529 -10.8995 -10.8995 -10.2864 -10.2864 -10.1664 -10.1664 -9.9542 -9.9542 -5.6046 -5.6046 -5.3937 -5.3937 -5.2234 -5.2234 6.9085 6.9085 6.9581 6.9581 7.1597 7.1597 7.4444 7.4444 7.5469 7.5469 8.3166 8.3166 8.7683 8.7683 8.9359 8.9359 8.9661 8.9661 13.5438 13.5438 15.6052 15.6052 15.6912 15.6912 16.0440 16.0440 k = 0.2749 0.4761-0.0000 ( 2512 PWs) bands (ev): -30.2889 -30.2889 -30.2721 -30.2721 -11.9067 -11.9067 -11.5565 -11.5565 -10.8850 -10.8850 -10.2912 -10.2912 -10.1618 -10.1618 -9.9475 -9.9475 -5.6141 -5.6141 -5.4058 -5.4058 -5.2241 -5.2241 6.8771 6.8771 6.9374 6.9374 7.1537 7.1537 7.4623 7.4623 7.5704 7.5704 8.3079 8.3079 8.7488 8.7488 8.9489 8.9489 8.9755 8.9755 13.5815 13.5815 15.5804 15.5804 15.6806 15.6806 16.0648 16.0648 k = 0.2690 0.4659-0.0000 ( 2524 PWs) bands (ev): -30.2905 -30.2905 -30.2718 -30.2718 -11.9000 -11.9000 -11.5595 -11.5595 -10.8699 -10.8699 -10.2956 -10.2956 -10.1573 -10.1573 -9.9405 -9.9405 -5.6242 -5.6242 -5.4186 -5.4186 -5.2260 -5.2260 6.8447 6.8447 6.9173 6.9173 7.1495 7.1495 7.4777 7.4777 7.5944 7.5944 8.2958 8.2958 8.7285 8.7285 8.9642 8.9642 8.9849 8.9849 13.6214 13.6214 15.5560 15.5560 15.6710 15.6710 16.0843 16.0843 k = 0.2632 0.4558-0.0000 ( 2528 PWs) bands (ev): -30.2921 -30.2921 -30.2717 -30.2717 -11.8927 -11.8927 -11.5620 -11.5620 -10.8542 -10.8542 -10.2996 -10.2996 -10.1528 -10.1528 -9.9331 -9.9331 -5.6350 -5.6350 -5.4320 -5.4320 -5.2288 -5.2288 6.8115 6.8115 6.8978 6.8978 7.1471 7.1471 7.4905 7.4905 7.6189 7.6189 8.2799 8.2799 8.7075 8.7075 8.9807 8.9807 8.9953 8.9953 13.6629 13.6629 15.5324 15.5324 15.6624 15.6624 16.1023 16.1023 k = 0.2573 0.4457-0.0000 ( 2532 PWs) bands (ev): -30.2938 -30.2938 -30.2715 -30.2715 -11.8847 -11.8847 -11.5638 -11.5638 -10.8380 -10.8380 -10.3031 -10.3031 -10.1483 -10.1483 -9.9255 -9.9255 -5.6465 -5.6465 -5.4462 -5.4462 -5.2325 -5.2325 6.7779 6.7779 6.8791 6.8791 7.1465 7.1465 7.5007 7.5007 7.6439 7.6439 8.2604 8.2604 8.6860 8.6860 8.9943 8.9943 9.0105 9.0105 13.7056 13.7056 15.5097 15.5097 15.6546 15.6546 16.1185 16.1185 k = 0.2515 0.4355-0.0000 ( 2532 PWs) bands (ev): -30.2955 -30.2955 -30.2715 -30.2715 -11.8761 -11.8761 -11.5648 -11.5648 -10.8215 -10.8215 -10.3061 -10.3061 -10.1437 -10.1437 -9.9176 -9.9176 -5.6587 -5.6587 -5.4613 -5.4613 -5.2369 -5.2369 6.7441 6.7441 6.8610 6.8610 7.1475 7.1475 7.5081 7.5081 7.6693 7.6693 8.2373 8.2373 8.6641 8.6641 9.0030 9.0030 9.0319 9.0319 13.7488 13.7488 15.4882 15.4882 15.6472 15.6472 16.1326 16.1326 k = 0.2456 0.4254-0.0000 ( 2538 PWs) bands (ev): -30.2973 -30.2973 -30.2715 -30.2715 -11.8669 -11.8669 -11.5650 -11.5650 -10.8047 -10.8047 -10.3085 -10.3085 -10.1391 -10.1391 -9.9096 -9.9096 -5.6719 -5.6719 -5.4773 -5.4773 -5.2418 -5.2418 6.7105 6.7105 6.8437 6.8437 7.1502 7.1502 7.5127 7.5127 7.6950 7.6950 8.2110 8.2110 8.6422 8.6422 9.0096 9.0096 9.0564 9.0564 13.7919 13.7919 15.4681 15.4681 15.6402 15.6402 16.1439 16.1439 k = 0.2398 0.4153-0.0000 ( 2536 PWs) bands (ev): -30.2992 -30.2992 -30.2716 -30.2716 -11.8571 -11.8571 -11.5643 -11.5643 -10.7877 -10.7877 -10.3102 -10.3102 -10.1345 -10.1345 -9.9015 -9.9015 -5.6859 -5.6859 -5.4944 -5.4944 -5.2469 -5.2469 6.6773 6.6773 6.8271 6.8271 7.1543 7.1543 7.5146 7.5146 7.7209 7.7209 8.1818 8.1818 8.6203 8.6203 9.0149 9.0149 9.0828 9.0828 13.8344 13.8344 15.4495 15.4495 15.6332 15.6332 16.1520 16.1520 k = 0.2339 0.4052-0.0000 ( 2540 PWs) bands (ev): -30.3012 -30.3012 -30.2717 -30.2717 -11.8468 -11.8468 -11.5626 -11.5626 -10.7706 -10.7706 -10.3111 -10.3111 -10.1297 -10.1297 -9.8934 -9.8934 -5.7009 -5.7009 -5.5127 -5.5127 -5.2520 -5.2520 6.6446 6.6446 6.8113 6.8113 7.1596 7.1596 7.5137 7.5137 7.7467 7.7467 8.1502 8.1502 8.5989 8.5989 9.0191 9.0191 9.1104 9.1104 13.8755 13.8755 15.4325 15.4325 15.6260 15.6260 16.1562 16.1562 k = 0.2281 0.3950-0.0000 ( 2544 PWs) bands (ev): -30.3032 -30.3032 -30.2719 -30.2719 -11.8360 -11.8360 -11.5600 -11.5600 -10.7535 -10.7535 -10.3113 -10.3113 -10.1249 -10.1249 -9.8852 -9.8852 -5.7171 -5.7171 -5.5323 -5.5323 -5.2568 -5.2568 6.6129 6.6129 6.7963 6.7963 7.1661 7.1661 7.5102 7.5102 7.7718 7.7718 8.1170 8.1170 8.5781 8.5781 9.0222 9.0222 9.1388 9.1388 13.9150 13.9150 15.4171 15.4171 15.6182 15.6182 16.1558 16.1558 k = 0.2222 0.3849-0.0000 ( 2544 PWs) bands (ev): -30.3052 -30.3052 -30.2722 -30.2722 -11.8249 -11.8249 -11.5564 -11.5564 -10.7365 -10.7365 -10.3104 -10.3104 -10.1199 -10.1199 -9.8771 -9.8771 -5.7344 -5.7344 -5.5534 -5.5534 -5.2611 -5.2611 6.5821 6.5821 6.7822 6.7822 7.1733 7.1733 7.5042 7.5042 7.7954 7.7954 8.0833 8.0833 8.5583 8.5583 9.0243 9.0243 9.1676 9.1676 13.9523 13.9523 15.4034 15.4034 15.6097 15.6097 16.1503 16.1503 k = 0.2164 0.3748-0.0000 ( 2548 PWs) bands (ev): -30.3073 -30.3073 -30.2725 -30.2725 -11.8134 -11.8134 -11.5517 -11.5517 -10.7196 -10.7196 -10.3086 -10.3086 -10.1147 -10.1147 -9.8690 -9.8690 -5.7529 -5.7529 -5.5760 -5.5760 -5.2645 -5.2645 6.5526 6.5526 6.7689 6.7689 7.1810 7.1810 7.4958 7.4958 7.8159 7.8159 8.0507 8.0507 8.5396 8.5396 9.0255 9.0255 9.1965 9.1965 13.9871 13.9871 15.3912 15.3912 15.6001 15.6001 16.1392 16.1392 k = 0.2105 0.3646-0.0000 ( 2542 PWs) bands (ev): -30.3095 -30.3095 -30.2729 -30.2729 -11.8018 -11.8018 -11.5460 -11.5460 -10.7029 -10.7029 -10.3057 -10.3057 -10.1095 -10.1095 -9.8611 -9.8611 -5.7727 -5.7727 -5.6004 -5.6004 -5.2670 -5.2670 6.5245 6.5245 6.7563 6.7563 7.1890 7.1890 7.4853 7.4853 7.8299 7.8299 8.0229 8.0229 8.5225 8.5225 9.0257 9.0257 9.2252 9.2252 14.0191 14.0191 15.3803 15.3803 15.5892 15.5892 16.1224 16.1224 k = 0.2047 0.3545-0.0000 ( 2534 PWs) bands (ev): -30.3117 -30.3117 -30.2733 -30.2733 -11.7899 -11.7899 -11.5392 -11.5392 -10.6864 -10.6864 -10.3016 -10.3016 -10.1040 -10.1040 -9.8532 -9.8532 -5.7938 -5.7938 -5.6266 -5.6266 -5.2683 -5.2683 6.4980 6.4980 6.7447 6.7447 7.1967 7.1967 7.4729 7.4729 7.8320 7.8320 8.0053 8.0053 8.5073 8.5073 9.0251 9.0251 9.2535 9.2535 14.0483 14.0483 15.3705 15.3705 15.5768 15.5768 16.0997 16.0997 k = 0.1988 0.3444-0.0000 ( 2536 PWs) bands (ev): -30.3139 -30.3139 -30.2738 -30.2738 -11.7781 -11.7781 -11.5314 -11.5314 -10.6703 -10.6703 -10.2962 -10.2962 -10.0984 -10.0984 -9.8456 -9.8456 -5.8162 -5.8162 -5.6545 -5.6545 -5.2683 -5.2683 6.4732 6.4732 6.7338 6.7338 7.2037 7.2037 7.4589 7.4589 7.8176 7.8176 8.0026 8.0026 8.4943 8.4943 9.0238 9.0238 9.2810 9.2810 14.0746 14.0746 15.3614 15.3614 15.5628 15.5628 16.0715 16.0715 k = 0.1930 0.3343-0.0000 ( 2539 PWs) bands (ev): -30.3162 -30.3162 -30.2743 -30.2743 -11.7663 -11.7663 -11.5225 -11.5225 -10.6545 -10.6545 -10.2895 -10.2895 -10.0927 -10.0927 -9.8381 -9.8381 -5.8399 -5.8399 -5.6843 -5.6843 -5.2671 -5.2671 6.4501 6.4501 6.7238 6.7238 7.2096 7.2096 7.4434 7.4434 7.7888 7.7888 8.0127 8.0127 8.4839 8.4839 9.0220 9.0220 9.3077 9.3077 14.0980 14.0980 15.3528 15.3528 15.5469 15.5469 16.0381 16.0381 k = 0.1871 0.3241-0.0000 ( 2539 PWs) bands (ev): -30.3185 -30.3185 -30.2749 -30.2749 -11.7547 -11.7547 -11.5126 -11.5126 -10.6390 -10.6390 -10.2814 -10.2814 -10.0867 -10.0867 -9.8308 -9.8308 -5.8649 -5.8649 -5.7158 -5.7158 -5.2645 -5.2645 6.4291 6.4291 6.7146 6.7146 7.2138 7.2138 7.4270 7.4270 7.7509 7.7509 8.0302 8.0302 8.4764 8.4764 9.0198 9.0198 9.3333 9.3333 14.1186 14.1186 15.3442 15.3442 15.5291 15.5291 16.0001 16.0001 k = 0.1813 0.3140-0.0000 ( 2539 PWs) bands (ev): -30.3208 -30.3208 -30.2756 -30.2756 -11.7433 -11.7433 -11.5017 -11.5017 -10.6240 -10.6240 -10.2719 -10.2719 -10.0805 -10.0805 -9.8237 -9.8237 -5.8912 -5.8912 -5.7490 -5.7490 -5.2606 -5.2606 6.4101 6.4101 6.7061 6.7061 7.2158 7.2158 7.4099 7.4099 7.7082 7.7082 8.0508 8.0508 8.4723 8.4723 9.0176 9.0176 9.3577 9.3577 14.1368 14.1368 15.3353 15.3353 15.5094 15.5094 15.9580 15.9580 k = 0.1754 0.3039-0.0000 ( 2539 PWs) bands (ev): -30.3231 -30.3231 -30.2763 -30.2763 -11.7322 -11.7322 -11.4899 -11.4899 -10.6093 -10.6093 -10.2609 -10.2609 -10.0741 -10.0741 -9.8168 -9.8168 -5.9186 -5.9186 -5.7837 -5.7837 -5.2554 -5.2554 6.3933 6.3933 6.6985 6.6985 7.2151 7.2151 7.3926 7.3926 7.6627 7.6627 8.0723 8.0723 8.4718 8.4718 9.0155 9.0155 9.3809 9.3809 14.1527 14.1527 15.3256 15.3256 15.4877 15.4877 15.9124 15.9124 k = 0.1696 0.2937-0.0000 ( 2547 PWs) bands (ev): -30.3254 -30.3254 -30.2770 -30.2770 -11.7215 -11.7215 -11.4773 -11.4773 -10.5949 -10.5949 -10.2485 -10.2485 -10.0674 -10.0674 -9.8101 -9.8101 -5.9474 -5.9474 -5.8198 -5.8198 -5.2491 -5.2491 6.3788 6.3788 6.6916 6.6916 7.2112 7.2112 7.3752 7.3752 7.6156 7.6156 8.0932 8.0932 8.4753 8.4753 9.0140 9.0140 9.4026 9.4026 14.1665 14.1665 15.3148 15.3148 15.4642 15.4642 15.8639 15.8639 k = 0.1637 0.2836-0.0000 ( 2547 PWs) bands (ev): -30.3278 -30.3278 -30.2777 -30.2777 -11.7112 -11.7112 -11.4638 -11.4638 -10.5809 -10.5809 -10.2347 -10.2347 -10.0605 -10.0605 -9.8037 -9.8037 -5.9772 -5.9772 -5.8572 -5.8572 -5.2417 -5.2417 6.3666 6.3666 6.6855 6.6855 7.2038 7.2038 7.3582 7.3582 7.5676 7.5676 8.1127 8.1127 8.4829 8.4829 9.0133 9.0133 9.4229 9.4229 14.1786 14.1786 15.3025 15.3025 15.4390 15.4390 15.8129 15.8129 k = 0.1579 0.2735-0.0000 ( 2547 PWs) bands (ev): -30.3301 -30.3301 -30.2785 -30.2785 -11.7014 -11.7014 -11.4497 -11.4497 -10.5672 -10.5672 -10.2195 -10.2195 -10.0532 -10.0532 -9.7975 -9.7975 -6.0083 -6.0083 -5.8956 -5.8956 -5.2333 -5.2333 6.3568 6.3568 6.6801 6.6801 7.1929 7.1929 7.3415 7.3415 7.5193 7.5193 8.1299 8.1299 8.4948 8.4948 9.0139 9.0139 9.4418 9.4418 14.1890 14.1890 15.2885 15.2885 15.4122 15.4122 15.7601 15.7601 k = 0.1520 0.2634-0.0000 ( 2543 PWs) bands (ev): -30.3324 -30.3324 -30.2793 -30.2793 -11.6921 -11.6921 -11.4351 -11.4351 -10.5537 -10.5537 -10.2030 -10.2030 -10.0456 -10.0456 -9.7916 -9.7916 -6.0406 -6.0406 -5.9348 -5.9348 -5.2240 -5.2240 6.3494 6.3494 6.6754 6.6754 7.1787 7.1787 7.3249 7.3249 7.4709 7.4709 8.1442 8.1442 8.5112 8.5112 9.0161 9.0161 9.4591 9.4591 14.1981 14.1981 15.2726 15.2726 15.3839 15.3839 15.7057 15.7057 k = 0.1462 0.2532-0.0000 ( 2545 PWs) bands (ev): -30.3347 -30.3347 -30.2802 -30.2802 -11.6834 -11.6834 -11.4200 -11.4200 -10.5403 -10.5403 -10.1853 -10.1853 -10.0376 -10.0376 -9.7859 -9.7859 -6.0740 -6.0740 -5.9746 -5.9746 -5.2139 -5.2139 6.3445 6.3445 6.6713 6.6713 7.1617 7.1617 7.3081 7.3081 7.4229 7.4229 8.1551 8.1551 8.5318 8.5318 9.0204 9.0204 9.4749 9.4749 14.2060 14.2060 15.2544 15.2544 15.3543 15.3543 15.6501 15.6501 k = 0.1404 0.2431-0.0000 ( 2547 PWs) bands (ev): -30.3370 -30.3370 -30.2810 -30.2810 -11.6752 -11.6752 -11.4046 -11.4046 -10.5272 -10.5272 -10.1666 -10.1666 -10.0292 -10.0292 -9.7805 -9.7805 -6.1087 -6.1087 -6.0147 -6.0147 -5.2031 -5.2031 6.3422 6.3422 6.6680 6.6680 7.1424 7.1424 7.2909 7.2909 7.3754 7.3754 8.1620 8.1620 8.5567 8.5567 9.0270 9.0270 9.4892 9.4892 14.2128 14.2128 15.2339 15.2339 15.3236 15.3236 15.5937 15.5937 k = 0.1345 0.2330-0.0000 ( 2547 PWs) bands (ev): -30.3392 -30.3392 -30.2819 -30.2819 -11.6676 -11.6676 -11.3891 -11.3891 -10.5141 -10.5141 -10.1469 -10.1469 -10.0203 -10.0203 -9.7754 -9.7754 -6.1445 -6.1445 -6.0547 -6.0547 -5.1918 -5.1918 6.3424 6.3424 6.6652 6.6652 7.1214 7.1214 7.2728 7.2728 7.3287 7.3287 8.1645 8.1645 8.5855 8.5855 9.0362 9.0362 9.5021 9.5021 14.2185 14.2185 15.2111 15.2111 15.2920 15.2920 15.5369 15.5369 k = 0.1287 0.2228-0.0000 ( 2543 PWs) bands (ev): -30.3414 -30.3414 -30.2828 -30.2828 -11.6605 -11.6605 -11.3735 -11.3735 -10.5012 -10.5012 -10.1264 -10.1264 -10.0109 -10.0109 -9.7705 -9.7705 -6.1817 -6.1817 -6.0945 -6.0945 -5.1799 -5.1799 6.3451 6.3451 6.6631 6.6631 7.0992 7.0992 7.2533 7.2533 7.2834 7.2834 8.1625 8.1625 8.6180 8.6180 9.0481 9.0481 9.5137 9.5137 14.2232 14.2232 15.1859 15.1859 15.2597 15.2597 15.4799 15.4799 k = 0.1228 0.2127-0.0000 ( 2543 PWs) bands (ev): -30.3436 -30.3436 -30.2836 -30.2836 -11.6540 -11.6540 -11.3579 -11.3579 -10.4883 -10.4883 -10.1053 -10.1053 -10.0008 -10.0008 -9.7659 -9.7659 -6.2200 -6.2200 -6.1337 -6.1337 -5.1678 -5.1678 6.3504 6.3504 6.6616 6.6616 7.0763 7.0763 7.2291 7.2291 7.2430 7.2430 8.1559 8.1559 8.6539 8.6539 9.0627 9.0627 9.5240 9.5240 14.2269 14.2269 15.1584 15.1584 15.2268 15.2268 15.4230 15.4230 k = 0.1170 0.2026-0.0000 ( 2539 PWs) bands (ev): -30.3457 -30.3457 -30.2845 -30.2845 -11.6480 -11.6480 -11.3426 -11.3426 -10.4756 -10.4756 -10.0838 -10.0838 -9.9900 -9.9900 -9.7615 -9.7615 -6.2594 -6.2594 -6.1721 -6.1721 -5.1553 -5.1553 6.3582 6.3582 6.6606 6.6606 7.0530 7.0530 7.1908 7.1908 7.2169 7.2169 8.1446 8.1446 8.6928 8.6928 9.0798 9.0798 9.5331 9.5331 14.2294 14.2294 15.1289 15.1289 15.1936 15.1936 15.3667 15.3667 k = 0.1111 0.1925-0.0000 ( 2543 PWs) bands (ev): -30.3478 -30.3478 -30.2854 -30.2854 -11.6426 -11.6426 -11.3276 -11.3276 -10.4630 -10.4630 -10.0622 -10.0622 -9.9784 -9.9784 -9.7574 -9.7574 -6.2997 -6.2997 -6.2096 -6.2096 -5.1428 -5.1428 6.3684 6.3684 6.6602 6.6602 7.0297 7.0297 7.1492 7.1492 7.1947 7.1947 8.1288 8.1288 8.7343 8.7343 9.0991 9.0991 9.5411 9.5411 14.2307 14.2307 15.0974 15.0974 15.1602 15.1602 15.3112 15.3112 k = 0.1053 0.1823-0.0000 ( 2541 PWs) bands (ev): -30.3498 -30.3498 -30.2862 -30.2862 -11.6376 -11.6376 -11.3130 -11.3130 -10.4506 -10.4506 -10.0406 -10.0406 -9.9659 -9.9659 -9.7535 -9.7535 -6.3407 -6.3407 -6.2462 -6.2462 -5.1301 -5.1301 6.3811 6.3811 6.6604 6.6604 7.0065 7.0065 7.1085 7.1085 7.1725 7.1725 8.1089 8.1089 8.7778 8.7778 9.1203 9.1203 9.5482 9.5482 14.2304 14.2304 15.0642 15.0642 15.1270 15.1270 15.2571 15.2571 k = 0.0994 0.1722-0.0000 ( 2543 PWs) bands (ev): -30.3517 -30.3517 -30.2871 -30.2871 -11.6332 -11.6332 -11.2989 -11.2989 -10.4384 -10.4384 -10.0195 -10.0195 -9.9523 -9.9523 -9.7499 -9.7499 -6.3819 -6.3819 -6.2817 -6.2817 -5.1176 -5.1176 6.3961 6.3961 6.6610 6.6610 6.9837 6.9837 7.0693 7.0693 7.1500 7.1500 8.0851 8.0851 8.8231 8.8231 9.1430 9.1430 9.5546 9.5546 14.2285 14.2285 15.0296 15.0296 15.0942 15.0942 15.2047 15.2047 k = 0.0936 0.1621-0.0000 ( 2547 PWs) bands (ev): -30.3536 -30.3536 -30.2879 -30.2879 -11.6292 -11.6292 -11.2854 -11.2854 -10.4265 -10.4265 -9.9991 -9.9991 -9.9374 -9.9374 -9.7465 -9.7465 -6.4231 -6.4231 -6.3161 -6.3161 -5.1052 -5.1052 6.4133 6.4133 6.6622 6.6622 6.9614 6.9614 7.0318 7.0318 7.1273 7.1273 8.0578 8.0578 8.8695 8.8695 9.1667 9.1667 9.5602 9.5602 14.2245 14.2245 14.9940 14.9940 15.0620 15.0620 15.1547 15.1547 k = 0.0877 0.1519-0.0000 ( 2551 PWs) bands (ev): -30.3554 -30.3554 -30.2887 -30.2887 -11.6256 -11.6256 -11.2725 -11.2725 -10.4151 -10.4151 -9.9797 -9.9797 -9.9213 -9.9213 -9.7434 -9.7434 -6.4640 -6.4640 -6.3495 -6.3495 -5.0930 -5.0930 6.4326 6.4326 6.6639 6.6639 6.9397 6.9397 6.9960 6.9960 7.1045 7.1045 8.0275 8.0275 8.9167 8.9167 9.1908 9.1908 9.5654 9.5654 14.2182 14.2182 14.9579 14.9579 15.0305 15.0305 15.1074 15.1074 k = 0.0819 0.1418-0.0000 ( 2547 PWs) bands (ev): -30.3570 -30.3570 -30.2894 -30.2894 -11.6224 -11.6224 -11.2603 -11.2603 -10.4041 -10.4041 -9.9616 -9.9616 -9.9039 -9.9039 -9.7405 -9.7405 -6.5041 -6.5041 -6.3816 -6.3816 -5.0811 -5.0811 6.4539 6.4539 6.6661 6.6661 6.9189 6.9189 6.9622 6.9622 7.0820 7.0820 7.9945 7.9945 8.9641 8.9641 9.2151 9.2151 9.5703 9.5703 14.2092 14.2092 14.9222 14.9222 15.0002 15.0002 15.0632 15.0632 k = 0.0760 0.1317-0.0000 ( 2555 PWs) bands (ev): -30.3586 -30.3586 -30.2902 -30.2902 -11.6196 -11.6196 -11.2489 -11.2489 -10.3937 -10.3937 -9.9446 -9.9446 -9.8855 -9.8855 -9.7378 -9.7378 -6.5432 -6.5432 -6.4125 -6.4125 -5.0697 -5.0697 6.4770 6.4770 6.6687 6.6687 6.8989 6.8989 6.9305 6.9305 7.0597 7.0597 7.9594 7.9594 9.0112 9.0112 9.2389 9.2389 9.5750 9.5750 14.1974 14.1974 14.8874 14.8874 14.9709 14.9709 15.0222 15.0222 k = 0.0702 0.1215-0.0000 ( 2567 PWs) bands (ev): -30.3601 -30.3601 -30.2909 -30.2909 -11.6172 -11.6172 -11.2382 -11.2382 -10.3838 -10.3838 -9.9287 -9.9287 -9.8666 -9.8666 -9.7354 -9.7354 -6.5810 -6.5810 -6.4420 -6.4420 -5.0588 -5.0588 6.5016 6.5016 6.6718 6.6718 6.8797 6.8797 6.9012 6.9012 7.0380 7.0380 7.9227 7.9227 9.0576 9.0576 9.2619 9.2619 9.5797 9.5797 14.1825 14.1825 14.8546 14.8546 14.9430 14.9430 14.9846 14.9846 k = 0.0643 0.1114-0.0000 ( 2571 PWs) bands (ev): -30.3615 -30.3615 -30.2915 -30.2915 -11.6150 -11.6150 -11.2284 -11.2284 -10.3747 -10.3747 -9.9137 -9.9137 -9.8477 -9.8477 -9.7332 -9.7332 -6.6171 -6.6171 -6.4699 -6.4699 -5.0484 -5.0484 6.5274 6.5274 6.6754 6.6754 6.8609 6.8609 6.8747 6.8747 7.0169 7.0169 7.8847 7.8847 9.1027 9.1027 9.2837 9.2837 9.5845 9.5845 14.1647 14.1647 14.8243 14.8243 14.9167 14.9167 14.9505 14.9505 k = 0.0585 0.1013-0.0000 ( 2567 PWs) bands (ev): -30.3628 -30.3628 -30.2921 -30.2921 -11.6132 -11.6132 -11.2194 -11.2194 -10.3662 -10.3662 -9.8995 -9.8995 -9.8290 -9.8290 -9.7312 -9.7312 -6.6513 -6.6513 -6.4961 -6.4961 -5.0387 -5.0387 6.5541 6.5541 6.6795 6.6795 6.8413 6.8413 6.8526 6.8526 6.9966 6.9966 7.8461 7.8461 9.1460 9.1460 9.3039 9.3039 9.5895 9.5895 14.1443 14.1443 14.7971 14.7971 14.8921 14.8921 14.9197 14.9197 k = 0.0526 0.0912-0.0000 ( 2567 PWs) bands (ev): -30.3640 -30.3640 -30.2927 -30.2927 -11.6116 -11.6116 -11.2112 -11.2112 -10.3585 -10.3585 -9.8862 -9.8862 -9.8111 -9.8111 -9.7295 -9.7295 -6.6832 -6.6832 -6.5205 -6.5205 -5.0297 -5.0297 6.5813 6.5813 6.6839 6.6839 6.8206 6.8206 6.8352 6.8352 6.9773 6.9773 7.8073 7.8073 9.1870 9.1870 9.3224 9.3224 9.5948 9.5948 14.1219 14.1219 14.7732 14.7732 14.8693 14.8693 14.8922 14.8922 k = 0.0468 0.0810-0.0000 ( 2571 PWs) bands (ev): -30.3651 -30.3651 -30.2932 -30.2932 -11.6103 -11.6103 -11.2039 -11.2039 -10.3516 -10.3516 -9.8738 -9.8738 -9.7942 -9.7942 -9.7279 -9.7279 -6.7127 -6.7127 -6.5428 -6.5428 -5.0215 -5.0215 6.6084 6.6084 6.6889 6.6889 6.8007 6.8007 6.8207 6.8207 6.9592 6.9592 7.7691 7.7691 9.2251 9.2251 9.3390 9.3390 9.6003 9.6003 14.0981 14.0981 14.7526 14.7526 14.8487 14.8487 14.8679 14.8679 k = 0.0409 0.0709-0.0000 ( 2563 PWs) bands (ev): -30.3660 -30.3660 -30.2937 -30.2937 -11.6092 -11.6092 -11.1974 -11.1974 -10.3455 -10.3455 -9.8624 -9.8624 -9.7787 -9.7787 -9.7266 -9.7266 -6.7393 -6.7393 -6.5630 -6.5630 -5.0141 -5.0141 6.6347 6.6347 6.6943 6.6943 6.7828 6.7828 6.8082 6.8082 6.9424 6.9424 7.7321 7.7321 9.2598 9.2598 9.3538 9.3538 9.6059 9.6059 14.0740 14.0740 14.7352 14.7352 14.8305 14.8305 14.8468 14.8468 k = 0.0351 0.0608-0.0000 ( 2559 PWs) bands (ev): -30.3669 -30.3669 -30.2941 -30.2941 -11.6082 -11.6082 -11.1918 -11.1918 -10.3402 -10.3402 -9.8521 -9.8521 -9.7647 -9.7647 -9.7254 -9.7254 -6.7630 -6.7630 -6.5809 -6.5809 -5.0076 -5.0076 6.6591 6.6591 6.7002 6.7002 6.7674 6.7674 6.7976 6.7976 6.9271 6.9271 7.6970 7.6970 9.2903 9.2903 9.3667 9.3667 9.6115 9.6115 14.0506 14.0506 14.7205 14.7205 14.8147 14.8147 14.8287 14.8287 k = 0.0292 0.0506-0.0000 ( 2559 PWs) bands (ev): -30.3676 -30.3676 -30.2944 -30.2944 -11.6075 -11.6075 -11.1871 -11.1871 -10.3357 -10.3357 -9.8430 -9.8430 -9.7525 -9.7525 -9.7245 -9.7245 -6.7835 -6.7835 -6.5963 -6.5963 -5.0020 -5.0020 6.6801 6.6801 6.7069 6.7069 6.7547 6.7547 6.7889 6.7889 6.9135 6.9135 7.6648 7.6648 9.3162 9.3162 9.3781 9.3781 9.6168 9.6168 14.0289 14.0289 14.7084 14.7084 14.8015 14.8015 14.8136 14.8136 k = 0.0234 0.0405-0.0000 ( 2559 PWs) bands (ev): -30.3681 -30.3681 -30.2947 -30.2947 -11.6069 -11.6069 -11.1832 -11.1832 -10.3321 -10.3321 -9.8354 -9.8354 -9.7423 -9.7423 -9.7237 -9.7237 -6.8005 -6.8005 -6.6091 -6.6091 -4.9974 -4.9974 6.6956 6.6956 6.7142 6.7142 6.7456 6.7456 6.7827 6.7827 6.9020 6.9020 7.6364 7.6364 9.3369 9.3369 9.3883 9.3883 9.6217 9.6217 14.0097 14.0097 14.6986 14.6986 14.7908 14.7908 14.8014 14.8014 k = 0.0175 0.0304-0.0000 ( 2561 PWs) bands (ev): -30.3686 -30.3686 -30.2949 -30.2949 -11.6065 -11.6065 -11.1802 -11.1802 -10.3293 -10.3293 -9.8293 -9.8293 -9.7342 -9.7342 -9.7231 -9.7231 -6.8139 -6.8139 -6.6192 -6.6192 -4.9937 -4.9937 6.7052 6.7052 6.7194 6.7194 6.7414 6.7414 6.7796 6.7796 6.8926 6.8926 7.6128 7.6128 9.3520 9.3520 9.3974 9.3974 9.6258 9.6258 13.9940 13.9940 14.6910 14.6910 14.7826 14.7826 14.7921 14.7921 k = 0.0117 0.0203-0.0000 ( 2559 PWs) bands (ev): -30.3689 -30.3689 -30.2951 -30.2951 -11.6062 -11.6062 -11.1780 -11.1780 -10.3272 -10.3272 -9.8249 -9.8249 -9.7283 -9.7283 -9.7226 -9.7226 -6.8236 -6.8236 -6.6264 -6.6264 -4.9911 -4.9911 6.7105 6.7105 6.7205 6.7205 6.7409 6.7409 6.7800 6.7800 6.8858 6.8858 7.5950 7.5950 9.3620 9.3620 9.4048 9.4048 9.6288 9.6288 13.9822 13.9822 14.6856 14.6856 14.7767 14.7767 14.7856 14.7856 k = 0.0058 0.0101-0.0000 ( 2559 PWs) bands (ev): -30.3691 -30.3691 -30.2952 -30.2952 -11.6060 -11.6060 -11.1767 -11.1767 -10.3260 -10.3260 -9.8222 -9.8222 -9.7249 -9.7249 -9.7222 -9.7222 -6.8295 -6.8295 -6.6308 -6.6308 -4.9896 -4.9896 6.7121 6.7121 6.7214 6.7214 6.7406 6.7406 6.7820 6.7820 6.8816 6.8816 7.5839 7.5839 9.3675 9.3675 9.4098 9.4098 9.6308 9.6308 13.9750 13.9750 14.6823 14.6823 14.7732 14.7732 14.7818 14.7818 k = 0.0000 0.0000 0.0000 ( 2563 PWs) bands (ev): -30.3692 -30.3692 -30.2952 -30.2952 -11.6059 -11.6059 -11.1763 -11.1763 -10.3256 -10.3256 -9.8213 -9.8213 -9.7239 -9.7239 -9.7220 -9.7220 -6.8315 -6.8315 -6.6323 -6.6323 -4.9890 -4.9890 6.7121 6.7121 6.7222 6.7222 6.7402 6.7402 6.7830 6.7830 6.8802 6.8802 7.5802 7.5802 9.3692 9.3692 9.4115 9.4115 9.6314 9.6314 13.9725 13.9725 14.6813 14.6813 14.7720 14.7720 14.7806 14.7806 k = 0.0000 0.0000 0.0000 ( 2563 PWs) bands (ev): -30.3692 -30.3692 -30.2952 -30.2952 -11.6059 -11.6059 -11.1763 -11.1763 -10.3256 -10.3256 -9.8213 -9.8213 -9.7239 -9.7239 -9.7220 -9.7220 -6.8315 -6.8315 -6.6323 -6.6323 -4.9890 -4.9890 6.7121 6.7121 6.7222 6.7222 6.7402 6.7402 6.7830 6.7830 6.8802 6.8802 7.5802 7.5802 9.3692 9.3692 9.4115 9.4115 9.6314 9.6314 13.9725 13.9725 14.6813 14.6813 14.7720 14.7720 14.7806 14.7806 k = 0.0000 0.0000 0.0116 ( 2569 PWs) bands (ev): -30.3691 -30.3691 -30.2952 -30.2952 -11.6056 -11.6056 -11.1766 -11.1766 -10.3254 -10.3254 -9.8212 -9.8212 -9.7240 -9.7240 -9.7227 -9.7227 -6.8308 -6.8308 -6.6319 -6.6319 -4.9896 -4.9896 6.7017 6.7017 6.7162 6.7162 6.7504 6.7504 6.7890 6.7890 6.8775 6.8775 7.5832 7.5832 9.3693 9.3693 9.4117 9.4117 9.6288 9.6288 13.9768 13.9768 14.6828 14.6828 14.7734 14.7734 14.7820 14.7820 k = 0.0000 0.0000 0.0232 ( 2575 PWs) bands (ev): -30.3690 -30.3690 -30.2954 -30.2954 -11.6046 -11.6046 -11.1774 -11.1774 -10.3247 -10.3247 -9.8210 -9.8210 -9.7249 -9.7249 -9.7242 -9.7242 -6.8288 -6.8288 -6.6307 -6.6307 -4.9913 -4.9913 6.6838 6.6838 6.7023 6.7023 6.7679 6.7679 6.8028 6.8028 6.8696 6.8696 7.5922 7.5922 9.3696 9.3696 9.4121 9.4121 9.6211 9.6211 13.9894 13.9894 14.6874 14.6874 14.7778 14.7778 14.7865 14.7865 k = 0.0000 0.0000 0.0349 ( 2575 PWs) bands (ev): -30.3687 -30.3687 -30.2957 -30.2957 -11.6029 -11.6029 -11.1788 -11.1788 -10.3234 -10.3234 -9.8207 -9.8207 -9.7285 -9.7285 -9.7245 -9.7245 -6.8256 -6.8256 -6.6286 -6.6286 -4.9942 -4.9942 6.6646 6.6646 6.6853 6.6853 6.7858 6.7858 6.8196 6.8196 6.8573 6.8573 7.6067 7.6067 9.3701 9.3701 9.4129 9.4129 9.6084 9.6084 14.0103 14.0103 14.6950 14.6950 14.7851 14.7851 14.7938 14.7938 k = 0.0000 0.0000 0.0465 ( 2575 PWs) bands (ev): -30.3683 -30.3683 -30.2961 -30.2961 -11.6006 -11.6006 -11.1808 -11.1808 -10.3217 -10.3217 -9.8202 -9.8202 -9.7335 -9.7335 -9.7250 -9.7250 -6.8212 -6.8212 -6.6257 -6.6257 -4.9982 -4.9982 6.6453 6.6453 6.6673 6.6673 6.8013 6.8013 6.8374 6.8374 6.8432 6.8432 7.6260 7.6260 9.3708 9.3708 9.4139 9.4139 9.5909 9.5909 14.0390 14.0390 14.7057 14.7057 14.7952 14.7952 14.8040 14.8040 k = 0.0000 0.0000 0.0581 ( 2563 PWs) bands (ev): -30.3678 -30.3678 -30.2966 -30.2966 -11.5976 -11.5976 -11.1832 -11.1832 -10.3195 -10.3195 -9.8196 -9.8196 -9.7398 -9.7398 -9.7255 -9.7255 -6.8157 -6.8157 -6.6219 -6.6219 -5.0032 -5.0032 6.6260 6.6260 6.6488 6.6488 6.8037 6.8037 6.8385 6.8385 6.8555 6.8555 7.6493 7.6493 9.3717 9.3717 9.4152 9.4152 9.5690 9.5690 14.0753 14.0753 14.7195 14.7195 14.8081 14.8081 14.8171 14.8171 k = 0.0000 0.0000 0.0697 ( 2557 PWs) bands (ev): -30.3671 -30.3671 -30.2973 -30.2973 -11.5940 -11.5940 -11.1862 -11.1862 -10.3169 -10.3169 -9.8189 -9.8189 -9.7473 -9.7473 -9.7263 -9.7263 -6.8095 -6.8095 -6.6170 -6.6170 -5.0093 -5.0093 6.6070 6.6070 6.6304 6.6304 6.7860 6.7860 6.8509 6.8509 6.8735 6.8735 7.6759 7.6759 9.3727 9.3727 9.4168 9.4168 9.5430 9.5430 14.1185 14.1185 14.7365 14.7365 14.8238 14.8238 14.8329 14.8329 k = 0.0000 0.0000 0.0813 ( 2544 PWs) bands (ev): -30.3664 -30.3664 -30.2980 -30.2980 -11.5897 -11.5897 -11.1897 -11.1897 -10.3137 -10.3137 -9.8181 -9.8181 -9.7560 -9.7560 -9.7271 -9.7271 -6.8025 -6.8025 -6.6112 -6.6112 -5.0164 -5.0164 6.5884 6.5884 6.6122 6.6122 6.7617 6.7617 6.8675 6.8675 6.8912 6.8912 7.7051 7.7051 9.3737 9.3737 9.4186 9.4186 9.5134 9.5134 14.1680 14.1680 14.7566 14.7566 14.8421 14.8421 14.8514 14.8514 k = 0.0000 0.0000 0.0929 ( 2532 PWs) bands (ev): -30.3656 -30.3656 -30.2989 -30.2989 -11.5849 -11.5849 -11.1937 -11.1937 -10.3101 -10.3101 -9.8171 -9.8171 -9.7659 -9.7659 -9.7280 -9.7280 -6.7951 -6.7951 -6.6042 -6.6042 -5.0245 -5.0245 6.5702 6.5702 6.5943 6.5943 6.7351 6.7351 6.8846 6.8846 6.9086 6.9086 7.7363 7.7363 9.3745 9.3745 9.4207 9.4207 9.4807 9.4807 14.2230 14.2230 14.7799 14.7799 14.8631 14.8631 14.8725 14.8725 k = 0.0000 0.0000 0.1046 ( 2544 PWs) bands (ev): -30.3646 -30.3646 -30.2998 -30.2998 -11.5795 -11.5795 -11.1983 -11.1983 -10.3060 -10.3060 -9.8160 -9.8160 -9.7767 -9.7767 -9.7291 -9.7291 -6.7875 -6.7875 -6.5961 -6.5961 -5.0333 -5.0333 6.5524 6.5524 6.5769 6.5769 6.7074 6.7074 6.9015 6.9015 6.9254 6.9254 7.7690 7.7690 9.3743 9.3743 9.4229 9.4229 9.4462 9.4462 14.2827 14.2827 14.8065 14.8065 14.8865 14.8865 14.8960 14.8960 k = 0.0000 0.0000 0.1162 ( 2544 PWs) bands (ev): -30.3636 -30.3636 -30.3008 -30.3008 -11.5736 -11.5736 -11.2033 -11.2033 -10.3015 -10.3015 -9.8149 -9.8149 -9.7884 -9.7884 -9.7303 -9.7303 -6.7799 -6.7799 -6.5868 -6.5868 -5.0430 -5.0430 6.5353 6.5353 6.5600 6.5600 6.6792 6.6792 6.9179 6.9179 6.9416 6.9416 7.8029 7.8029 9.3702 9.3702 9.4134 9.4134 9.4254 9.4254 14.3462 14.3462 14.8365 14.8365 14.9123 14.9123 14.9218 14.9218 k = 0.0000 0.0000 0.1278 ( 2544 PWs) bands (ev): -30.3625 -30.3625 -30.3020 -30.3020 -11.5672 -11.5672 -11.2087 -11.2087 -10.2965 -10.2965 -9.8136 -9.8136 -9.8008 -9.8008 -9.7316 -9.7316 -6.7724 -6.7724 -6.5763 -6.5763 -5.0533 -5.0533 6.5188 6.5188 6.5437 6.5437 6.6510 6.6510 6.9337 6.9337 6.9572 6.9572 7.8375 7.8375 9.3497 9.3497 9.3949 9.3949 9.4280 9.4280 14.4123 14.4123 14.8701 14.8701 14.9405 14.9405 14.9499 14.9499 k = 0.0000 0.0000 0.1394 ( 2538 PWs) bands (ev): -30.3613 -30.3613 -30.3032 -30.3032 -11.5603 -11.5603 -11.2146 -11.2146 -10.2911 -10.2911 -9.8139 -9.8139 -9.8122 -9.8122 -9.7330 -9.7330 -6.7653 -6.7653 -6.5646 -6.5646 -5.0642 -5.0642 6.5029 6.5029 6.5281 6.5281 6.6233 6.6233 6.9488 6.9488 6.9720 6.9720 7.8726 7.8726 9.3127 9.3127 9.3914 9.3914 9.4307 9.4307 14.4797 14.4797 14.9075 14.9075 14.9711 14.9711 14.9800 14.9800 k = 0.0000 0.0000 0.1510 ( 2538 PWs) bands (ev): -30.3600 -30.3600 -30.3045 -30.3045 -11.5530 -11.5530 -11.2209 -11.2209 -10.2854 -10.2854 -9.8274 -9.8274 -9.8108 -9.8108 -9.7344 -9.7344 -6.7587 -6.7587 -6.5520 -6.5520 -5.0755 -5.0755 6.4878 6.4878 6.5132 6.5132 6.5964 6.5964 6.9632 6.9632 6.9861 6.9861 7.9080 7.9080 9.2706 9.2706 9.3919 9.3919 9.4336 9.4336 14.5472 14.5472 14.9485 14.9485 15.0041 15.0041 15.0119 15.0119 k = 0.0000 0.0000 0.1626 ( 2538 PWs) bands (ev): -30.3587 -30.3587 -30.3059 -30.3059 -11.5453 -11.5453 -11.2275 -11.2275 -10.2793 -10.2793 -9.8413 -9.8413 -9.8093 -9.8093 -9.7359 -9.7359 -6.7525 -6.7525 -6.5386 -6.5386 -5.0872 -5.0872 6.4735 6.4735 6.4992 6.4992 6.5704 6.5704 6.9767 6.9767 6.9993 6.9993 7.9436 7.9436 9.2268 9.2268 9.3934 9.3934 9.4365 9.4365 14.6133 14.6133 14.9930 14.9930 15.0400 15.0400 15.0454 15.0454 k = 0.0000 0.0000 0.1743 ( 2538 PWs) bands (ev): -30.3572 -30.3572 -30.3073 -30.3073 -11.5373 -11.5373 -11.2344 -11.2344 -10.2729 -10.2729 -9.8555 -9.8555 -9.8078 -9.8078 -9.7375 -9.7375 -6.7469 -6.7469 -6.5245 -6.5245 -5.0990 -5.0990 6.4599 6.4599 6.4859 6.4859 6.5457 6.5457 6.9894 6.9894 7.0117 7.0117 7.9790 7.9790 9.1821 9.1821 9.3953 9.3953 9.4394 9.4394 14.6766 14.6766 15.0390 15.0390 15.0802 15.0802 15.0805 15.0805 k = 0.0000 0.0000 0.1859 ( 2550 PWs) bands (ev): -30.3558 -30.3558 -30.3088 -30.3088 -11.5292 -11.5292 -11.2416 -11.2416 -10.2662 -10.2662 -9.8696 -9.8696 -9.8062 -9.8062 -9.7391 -9.7391 -6.7419 -6.7419 -6.5100 -6.5100 -5.1109 -5.1109 6.4472 6.4472 6.4736 6.4736 6.5225 6.5225 7.0012 7.0012 7.0232 7.0232 8.0142 8.0142 9.1372 9.1372 9.3974 9.3974 9.4423 9.4423 14.7359 14.7359 15.0836 15.0836 15.1162 15.1162 15.1283 15.1283 k = 0.0000 0.0000 0.1975 ( 2550 PWs) bands (ev): -30.3542 -30.3542 -30.3103 -30.3103 -11.5208 -11.5208 -11.2490 -11.2490 -10.2593 -10.2593 -9.8837 -9.8837 -9.8046 -9.8046 -9.7407 -9.7407 -6.7374 -6.7374 -6.4955 -6.4955 -5.1226 -5.1226 6.4354 6.4354 6.4622 6.4622 6.5010 6.5010 7.0120 7.0120 7.0338 7.0338 8.0490 8.0490 9.0927 9.0927 9.3995 9.3995 9.4451 9.4451 14.7904 14.7904 15.1249 15.1249 15.1528 15.1528 15.1843 15.1843 k = 0.0000 0.0000 0.2091 ( 2550 PWs) bands (ev): -30.3527 -30.3527 -30.3119 -30.3119 -11.5124 -11.5124 -11.2565 -11.2565 -10.2523 -10.2523 -9.8975 -9.8975 -9.8030 -9.8030 -9.7423 -9.7423 -6.7335 -6.7335 -6.4811 -6.4811 -5.1340 -5.1340 6.4245 6.4245 6.4518 6.4518 6.4812 6.4812 7.0219 7.0219 7.0434 7.0434 8.0832 8.0832 9.0489 9.0489 9.4017 9.4017 9.4478 9.4478 14.8399 14.8399 15.1639 15.1639 15.1898 15.1898 15.2461 15.2461 k = 0.0000 0.0000 0.2207 ( 2550 PWs) bands (ev): -30.3511 -30.3511 -30.3135 -30.3135 -11.5040 -11.5040 -11.2640 -11.2640 -10.2452 -10.2452 -9.9109 -9.9109 -9.8014 -9.8014 -9.7439 -9.7439 -6.7300 -6.7300 -6.4673 -6.4673 -5.1449 -5.1449 6.4144 6.4144 6.4423 6.4423 6.4634 6.4634 7.0308 7.0308 7.0521 7.0521 8.1166 8.1166 9.0063 9.0063 9.4037 9.4037 9.4504 9.4504 14.8843 14.8843 15.2013 15.2013 15.2267 15.2267 15.3105 15.3105 k = 0.0000 0.0000 0.2323 ( 2568 PWs) bands (ev): -30.3496 -30.3496 -30.3151 -30.3151 -11.4959 -11.4959 -11.2714 -11.2714 -10.2383 -10.2383 -9.9236 -9.9236 -9.7998 -9.7998 -9.7455 -9.7455 -6.7270 -6.7270 -6.4542 -6.4542 -5.1550 -5.1550 6.4052 6.4052 6.4339 6.4339 6.4477 6.4477 7.0386 7.0386 7.0597 7.0597 8.1488 8.1488 8.9654 8.9654 9.4056 9.4056 9.4528 9.4528 14.9235 14.9235 15.2373 15.2373 15.2629 15.2629 15.3752 15.3752 k = 0.0000 0.0000 0.2440 ( 2568 PWs) bands (ev): -30.3480 -30.3480 -30.3166 -30.3166 -11.4880 -11.4880 -11.2785 -11.2785 -10.2316 -10.2316 -9.9354 -9.9354 -9.7984 -9.7984 -9.7470 -9.7470 -6.7245 -6.7245 -6.4422 -6.4422 -5.1643 -5.1643 6.3969 6.3969 6.4266 6.4266 6.4342 6.4342 7.0455 7.0455 7.0664 7.0664 8.1795 8.1795 8.9269 8.9269 9.4073 9.4073 9.4549 9.4549 14.9578 14.9578 15.2716 15.2716 15.2976 15.2976 15.4377 15.4377 k = 0.0000 0.0000 0.2556 ( 2568 PWs) bands (ev): -30.3466 -30.3466 -30.3181 -30.3181 -11.4807 -11.4807 -11.2852 -11.2852 -10.2253 -10.2253 -9.9462 -9.9462 -9.7970 -9.7970 -9.7483 -9.7483 -6.7224 -6.7224 -6.4315 -6.4315 -5.1726 -5.1726 6.3895 6.3895 6.4204 6.4204 6.4230 6.4230 7.0513 7.0513 7.0721 7.0721 8.2081 8.2081 8.8914 8.8914 9.4089 9.4089 9.4568 9.4568 14.9872 14.9872 15.3033 15.3033 15.3301 15.3301 15.4959 15.4959 k = 0.0000 0.0000 0.2672 ( 2568 PWs) bands (ev): -30.3452 -30.3452 -30.3195 -30.3195 -11.4742 -11.4742 -11.2912 -11.2912 -10.2197 -10.2197 -9.9555 -9.9555 -9.7959 -9.7959 -9.7495 -9.7495 -6.7207 -6.7207 -6.4224 -6.4224 -5.1796 -5.1796 6.3832 6.3832 6.4140 6.4140 6.4153 6.4153 7.0561 7.0561 7.0767 7.0767 8.2338 8.2338 8.8598 8.8598 9.4102 9.4102 9.4584 9.4584 15.0115 15.0115 15.3317 15.3317 15.3593 15.3593 15.5475 15.5475 k = 0.0000 0.0000 0.2788 ( 2568 PWs) bands (ev): -30.3440 -30.3440 -30.3207 -30.3207 -11.4687 -11.4687 -11.2963 -11.2963 -10.2150 -10.2150 -9.9631 -9.9631 -9.7949 -9.7949 -9.7505 -9.7505 -6.7195 -6.7195 -6.4151 -6.4151 -5.1852 -5.1852 6.3780 6.3780 6.4072 6.4072 6.4113 6.4113 7.0598 7.0598 7.0803 7.0803 8.2557 8.2557 8.8333 8.8333 9.4112 9.4112 9.4597 9.4597 15.0306 15.0306 15.3556 15.3556 15.3840 15.3840 15.5904 15.5904 k = 0.0000 0.0000 0.2904 ( 2568 PWs) bands (ev): -30.3431 -30.3431 -30.3216 -30.3216 -11.4645 -11.4645 -11.3003 -11.3003 -10.2114 -10.2114 -9.9689 -9.9689 -9.7941 -9.7941 -9.7512 -9.7512 -6.7185 -6.7185 -6.4097 -6.4097 -5.1893 -5.1893 6.3741 6.3741 6.4024 6.4024 6.4084 6.4084 7.0625 7.0625 7.0829 7.0829 8.2726 8.2726 8.8130 8.8130 9.4120 9.4120 9.4606 9.4606 15.0444 15.0444 15.3738 15.3738 15.4030 15.4030 15.6227 15.6227 k = 0.0000 0.0000 0.3020 ( 2556 PWs) bands (ev): -30.3425 -30.3425 -30.3222 -30.3222 -11.4618 -11.4618 -11.3027 -11.3027 -10.2091 -10.2091 -9.9724 -9.9724 -9.7936 -9.7936 -9.7517 -9.7517 -6.7180 -6.7180 -6.4064 -6.4064 -5.1919 -5.1919 6.3717 6.3717 6.3996 6.3996 6.4067 6.4067 7.0641 7.0641 7.0845 7.0845 8.2834 8.2834 8.8002 8.8002 9.4124 9.4124 9.4612 9.4612 15.0527 15.0527 15.3853 15.3853 15.4150 15.4150 15.6428 15.6428 k = 0.0000 0.0000 0.3137 ( 2556 PWs) bands (ev): -30.3423 -30.3423 -30.3224 -30.3224 -11.4609 -11.4609 -11.3036 -11.3036 -10.2083 -10.2083 -9.9736 -9.9736 -9.7935 -9.7935 -9.7518 -9.7518 -6.7178 -6.7178 -6.4053 -6.4053 -5.1927 -5.1927 6.3709 6.3709 6.3987 6.3987 6.4061 6.4061 7.0647 7.0647 7.0850 7.0850 8.2871 8.2871 8.7958 8.7958 9.4126 9.4126 9.4613 9.4613 15.0555 15.0555 15.3892 15.3892 15.4191 15.4191 15.6497 15.6497 k = 0.0000 0.0000 0.3137 ( 2556 PWs) bands (ev): -30.3423 -30.3423 -30.3224 -30.3224 -11.4609 -11.4609 -11.3036 -11.3036 -10.2083 -10.2083 -9.9736 -9.9736 -9.7935 -9.7935 -9.7518 -9.7518 -6.7178 -6.7178 -6.4053 -6.4053 -5.1927 -5.1927 6.3709 6.3709 6.3987 6.3987 6.4061 6.4061 7.0647 7.0647 7.0850 7.0850 8.2871 8.2871 8.7958 8.7958 9.4126 9.4126 9.4613 9.4613 15.0555 15.0555 15.3892 15.3892 15.4191 15.4191 15.6497 15.6497 k = 0.0100 0.0058 0.3137 ( 2560 PWs) bands (ev): -30.3422 -30.3422 -30.3224 -30.3224 -11.4613 -11.4613 -11.3038 -11.3038 -10.2090 -10.2090 -9.9739 -9.9739 -9.7943 -9.7943 -9.7523 -9.7523 -6.7161 -6.7161 -6.4042 -6.4042 -5.1931 -5.1931 6.3716 6.3716 6.3993 6.3993 6.4071 6.4071 7.0641 7.0641 7.0846 7.0846 8.2844 8.2844 8.7986 8.7986 9.4123 9.4123 9.4610 9.4610 15.0552 15.0552 15.3858 15.3858 15.4164 15.4164 15.6593 15.6593 k = 0.0200 0.0115 0.3137 ( 2564 PWs) bands (ev): -30.3421 -30.3421 -30.3223 -30.3223 -11.4624 -11.4624 -11.3045 -11.3045 -10.2108 -10.2108 -9.9747 -9.9747 -9.7967 -9.7967 -9.7535 -9.7535 -6.7109 -6.7109 -6.4007 -6.4007 -5.1941 -5.1941 6.3737 6.3737 6.4011 6.4011 6.4100 6.4100 7.0609 7.0609 7.0849 7.0849 8.2766 8.2766 8.8068 8.8068 9.4113 9.4113 9.4599 9.4599 15.0544 15.0544 15.3726 15.3726 15.4145 15.4145 15.6853 15.6853 k = 0.0300 0.0173 0.3137 ( 2572 PWs) bands (ev): -30.3418 -30.3418 -30.3220 -30.3220 -11.4643 -11.4643 -11.3056 -11.3056 -10.2138 -10.2138 -9.9760 -9.9760 -9.8005 -9.8005 -9.7555 -9.7555 -6.7023 -6.7023 -6.3950 -6.3950 -5.1960 -5.1960 6.3769 6.3769 6.4042 6.4042 6.4148 6.4148 7.0529 7.0529 7.0882 7.0882 8.2638 8.2638 8.8204 8.8204 9.4094 9.4094 9.4583 9.4583 15.0530 15.0530 15.3501 15.3501 15.4178 15.4178 15.7226 15.7226 k = 0.0400 0.0231 0.3137 ( 2564 PWs) bands (ev): -30.3414 -30.3414 -30.3217 -30.3217 -11.4669 -11.4669 -11.3072 -11.3072 -10.2180 -10.2180 -9.9780 -9.9780 -9.8057 -9.8057 -9.7583 -9.7583 -6.6905 -6.6905 -6.3871 -6.3871 -5.1984 -5.1984 6.3811 6.3811 6.4089 6.4089 6.4216 6.4216 7.0402 7.0402 7.0950 7.0950 8.2460 8.2460 8.8388 8.8388 9.4064 9.4064 9.4564 9.4564 15.0512 15.0512 15.3233 15.3233 15.4250 15.4250 15.7671 15.7671 k = 0.0500 0.0289 0.3137 ( 2564 PWs) bands (ev): -30.3410 -30.3410 -30.3213 -30.3213 -11.4702 -11.4702 -11.3092 -11.3092 -10.2234 -10.2234 -9.9806 -9.9806 -9.8120 -9.8120 -9.7618 -9.7618 -6.6754 -6.6754 -6.3770 -6.3770 -5.2016 -5.2016 6.3859 6.3859 6.4153 6.4153 6.4302 6.4302 7.0236 7.0236 7.1047 7.1047 8.2236 8.2236 8.8616 8.8616 9.4020 9.4020 9.4545 9.4545 15.0489 15.0489 15.2955 15.2955 15.4351 15.4351 15.8163 15.8163 k = 0.0600 0.0346 0.3137 ( 2564 PWs) bands (ev): -30.3404 -30.3404 -30.3209 -30.3209 -11.4742 -11.4742 -11.3118 -11.3118 -10.2300 -10.2300 -9.9841 -9.9841 -9.8192 -9.8192 -9.7659 -9.7659 -6.6574 -6.6574 -6.3648 -6.3648 -5.2054 -5.2054 6.3911 6.3911 6.4237 6.4237 6.4408 6.4408 7.0040 7.0040 7.1168 7.1168 8.1967 8.1967 8.8882 8.8882 9.3959 9.3959 9.4527 9.4527 15.0462 15.0462 15.2680 15.2680 15.4477 15.4477 15.8689 15.8689 k = 0.0700 0.0404 0.3137 ( 2560 PWs) bands (ev): -30.3398 -30.3398 -30.3203 -30.3203 -11.4789 -11.4789 -11.3149 -11.3149 -10.2376 -10.2376 -9.9886 -9.9886 -9.8271 -9.8271 -9.7706 -9.7706 -6.6365 -6.6365 -6.3506 -6.3506 -5.2097 -5.2097 6.3966 6.3966 6.4342 6.4342 6.4532 6.4532 6.9819 6.9819 7.1313 7.1313 8.1659 8.1659 8.9180 8.9180 9.3880 9.3880 9.4512 9.4512 15.0433 15.0433 15.2417 15.2417 15.4626 15.4626 15.9236 15.9236 k = 0.0800 0.0462 0.3137 ( 2560 PWs) bands (ev): -30.3390 -30.3390 -30.3197 -30.3197 -11.4844 -11.4844 -11.3186 -11.3186 -10.2464 -10.2464 -9.9942 -9.9942 -9.8353 -9.8353 -9.7758 -9.7758 -6.6130 -6.6130 -6.3346 -6.3346 -5.2146 -5.2146 6.4023 6.4023 6.4466 6.4466 6.4674 6.4674 6.9580 6.9580 7.1480 7.1480 8.1313 8.1313 8.9505 8.9505 9.3782 9.3782 9.4499 9.4499 15.0402 15.0402 15.2168 15.2168 15.4797 15.4797 15.9794 15.9794 k = 0.0900 0.0520 0.3137 ( 2554 PWs) bands (ev): -30.3382 -30.3382 -30.3190 -30.3190 -11.4904 -11.4904 -11.3229 -11.3229 -10.2561 -10.2561 -10.0010 -10.0010 -9.8435 -9.8435 -9.7814 -9.7814 -6.5870 -6.5870 -6.3168 -6.3168 -5.2199 -5.2199 6.4083 6.4083 6.4608 6.4608 6.4832 6.4832 6.9330 6.9330 7.1670 7.1670 8.0934 8.0934 8.9849 8.9849 9.3667 9.3667 9.4489 9.4489 15.0370 15.0370 15.1937 15.1937 15.4987 15.4987 16.0352 16.0352 k = 0.1000 0.0577 0.3137 ( 2552 PWs) bands (ev): -30.3372 -30.3372 -30.3182 -30.3182 -11.4972 -11.4972 -11.3278 -11.3278 -10.2667 -10.2667 -10.0093 -10.0093 -9.8514 -9.8514 -9.7873 -9.7873 -6.5589 -6.5589 -6.2974 -6.2974 -5.2256 -5.2256 6.4147 6.4147 6.4767 6.4767 6.5004 6.5004 6.9074 6.9074 7.1879 7.1879 8.0527 8.0527 9.0207 9.0207 9.3536 9.3536 9.4479 9.4479 15.0336 15.0336 15.1725 15.1725 15.5196 15.5196 16.0834 16.0834 k = 0.1100 0.0635 0.3137 ( 2552 PWs) bands (ev): -30.3362 -30.3362 -30.3174 -30.3174 -11.5045 -11.5045 -11.3334 -11.3334 -10.2782 -10.2782 -10.0190 -10.0190 -9.8588 -9.8588 -9.7935 -9.7935 -6.5289 -6.5289 -6.2766 -6.2766 -5.2316 -5.2316 6.4215 6.4215 6.4941 6.4941 6.5187 6.5187 6.8818 6.8818 7.2109 7.2109 8.0094 8.0094 9.0572 9.0572 9.3389 9.3389 9.4468 9.4468 15.0302 15.0302 15.1534 15.1534 15.5422 15.5422 16.0826 16.0826 k = 0.1200 0.0693 0.3137 ( 2550 PWs) bands (ev): -30.3351 -30.3351 -30.3165 -30.3165 -11.5125 -11.5125 -11.3397 -11.3397 -10.2904 -10.2904 -10.0302 -10.0302 -9.8655 -9.8655 -9.7998 -9.7998 -6.4972 -6.4972 -6.2544 -6.2544 -5.2377 -5.2377 6.4288 6.4288 6.5128 6.5128 6.5377 6.5377 6.8571 6.8571 7.2359 7.2359 7.9641 7.9641 9.0939 9.0939 9.3230 9.3230 9.4456 9.4456 15.0264 15.0264 15.1368 15.1368 15.5662 15.5662 16.0765 16.0765 k = 0.1300 0.0751 0.3137 ( 2554 PWs) bands (ev): -30.3340 -30.3340 -30.3155 -30.3155 -11.5210 -11.5210 -11.3467 -11.3467 -10.3033 -10.3033 -10.0429 -10.0429 -9.8714 -9.8714 -9.8062 -9.8062 -6.4642 -6.4642 -6.2311 -6.2311 -5.2440 -5.2440 6.4366 6.4366 6.5325 6.5325 6.5567 6.5567 6.8343 6.8343 7.2627 7.2627 7.9172 7.9172 9.1302 9.1302 9.3058 9.3058 9.4442 9.4442 15.0223 15.0223 15.1228 15.1228 15.5916 15.5916 16.0704 16.0704 k = 0.1400 0.0808 0.3137 ( 2560 PWs) bands (ev): -30.3327 -30.3327 -30.3145 -30.3145 -11.5301 -11.5301 -11.3545 -11.3545 -10.3167 -10.3167 -10.0569 -10.0569 -9.8765 -9.8765 -9.8127 -9.8127 -6.4300 -6.4300 -6.2068 -6.2068 -5.2502 -5.2502 6.4449 6.4449 6.5525 6.5525 6.5751 6.5751 6.8148 6.8148 7.2914 7.2914 7.8692 7.8692 9.1654 9.1654 9.2876 9.2876 9.4426 9.4426 15.0175 15.0175 15.1119 15.1119 15.6181 15.6181 16.0648 16.0648 k = 0.1500 0.0866 0.3137 ( 2560 PWs) bands (ev): -30.3314 -30.3314 -30.3134 -30.3134 -11.5398 -11.5398 -11.3631 -11.3631 -10.3305 -10.3305 -10.0721 -10.0721 -9.8808 -9.8808 -9.8190 -9.8190 -6.3950 -6.3950 -6.1818 -6.1818 -5.2561 -5.2561 6.4537 6.4537 6.5707 6.5707 6.5929 6.5929 6.8007 6.8007 7.3217 7.3217 7.8205 7.8205 9.1988 9.1988 9.2689 9.2689 9.4409 9.4409 15.0119 15.0119 15.1040 15.1040 15.6455 15.6455 16.0599 16.0599 k = 0.1600 0.0924 0.3137 ( 2560 PWs) bands (ev): -30.3300 -30.3300 -30.3122 -30.3122 -11.5499 -11.5499 -11.3724 -11.3724 -10.3446 -10.3446 -10.0882 -10.0882 -9.8844 -9.8844 -9.8252 -9.8252 -6.3594 -6.3594 -6.1561 -6.1561 -5.2618 -5.2618 6.4629 6.4629 6.5821 6.5821 6.6125 6.6125 6.7945 6.7945 7.3536 7.3536 7.7716 7.7716 9.2265 9.2265 9.2532 9.2532 9.4390 9.4390 15.0056 15.0056 15.0993 15.0993 15.6734 15.6734 16.0560 16.0560 k = 0.1700 0.0981 0.3137 ( 2556 PWs) bands (ev): -30.3286 -30.3286 -30.3110 -30.3110 -11.5605 -11.5605 -11.3825 -11.3825 -10.3588 -10.3588 -10.1050 -10.1050 -9.8875 -9.8875 -9.8313 -9.8313 -6.3234 -6.3234 -6.1301 -6.1301 -5.2669 -5.2669 6.4723 6.4723 6.5833 6.5833 6.6356 6.6356 6.7980 6.7980 7.3871 7.3871 7.7229 7.7229 9.2218 9.2218 9.2669 9.2669 9.4371 9.4371 14.9987 14.9987 15.0974 15.0974 15.7015 15.7015 16.0535 16.0535 k = 0.1800 0.1039 0.3137 ( 2550 PWs) bands (ev): -30.3271 -30.3271 -30.3098 -30.3098 -11.5715 -11.5715 -11.3934 -11.3934 -10.3730 -10.3730 -10.1223 -10.1223 -9.8900 -9.8900 -9.8371 -9.8371 -6.2874 -6.2874 -6.1040 -6.1040 -5.2713 -5.2713 6.4815 6.4815 6.5759 6.5759 6.6611 6.6611 6.8111 6.8111 7.4220 7.4220 7.6750 7.6750 9.2014 9.2014 9.2928 9.2928 9.4353 9.4353 14.9918 14.9918 15.0980 15.0980 15.7294 15.7294 16.0528 16.0528 k = 0.1900 0.1097 0.3137 ( 2558 PWs) bands (ev): -30.3255 -30.3255 -30.3086 -30.3086 -11.5829 -11.5829 -11.4051 -11.4051 -10.3871 -10.3871 -10.1400 -10.1400 -9.8921 -9.8921 -9.8427 -9.8427 -6.2516 -6.2516 -6.0779 -6.0779 -5.2747 -5.2747 6.4892 6.4892 6.5637 6.5637 6.6881 6.6881 6.8318 6.8318 7.4582 7.4582 7.6284 7.6284 9.1791 9.1791 9.3166 9.3166 9.4339 9.4339 14.9849 14.9849 15.1005 15.1005 15.7566 15.7566 16.0541 16.0541 k = 0.2000 0.1155 0.3137 ( 2558 PWs) bands (ev): -30.3239 -30.3239 -30.3073 -30.3073 -11.5947 -11.5947 -11.4176 -11.4176 -10.4010 -10.4010 -10.1579 -10.1579 -9.8939 -9.8939 -9.8481 -9.8481 -6.2163 -6.2163 -6.0521 -6.0521 -5.2771 -5.2771 6.4919 6.4919 6.5524 6.5524 6.7162 6.7162 6.8577 6.8577 7.4956 7.4956 7.5834 7.5834 9.1559 9.1559 9.3369 9.3369 9.4333 9.4333 14.9784 14.9784 15.1046 15.1046 15.7826 15.7826 16.0582 16.0582 k = 0.2100 0.1212 0.3137 ( 2558 PWs) bands (ev): -30.3223 -30.3223 -30.3060 -30.3060 -11.6068 -11.6068 -11.4307 -11.4307 -10.4146 -10.4146 -10.1759 -10.1759 -9.8954 -9.8954 -9.8531 -9.8531 -6.1816 -6.1816 -6.0269 -6.0269 -5.2781 -5.2781 6.4835 6.4835 6.5498 6.5498 6.7453 6.7453 6.8873 6.8873 7.5334 7.5334 7.5413 7.5413 9.1321 9.1321 9.3527 9.3527 9.4343 9.4343 14.9722 14.9722 15.1101 15.1101 15.8069 15.8069 16.0653 16.0653 k = 0.2200 0.1270 0.3137 ( 2558 PWs) bands (ev): -30.3207 -30.3207 -30.3046 -30.3046 -11.6192 -11.6192 -11.4446 -11.4446 -10.4277 -10.4277 -10.1938 -10.1938 -9.8967 -9.8967 -9.8579 -9.8579 -6.1478 -6.1478 -6.0024 -6.0024 -5.2776 -5.2776 6.4640 6.4640 6.5568 6.5568 6.7752 6.7752 6.9193 6.9193 7.5005 7.5005 7.5735 7.5735 9.1079 9.1079 9.3632 9.3632 9.4372 9.4372 14.9665 14.9665 15.1168 15.1168 15.8290 15.8290 16.0760 16.0760 k = 0.2300 0.1328 0.3137 ( 2554 PWs) bands (ev): -30.3190 -30.3190 -30.3033 -30.3033 -11.6318 -11.6318 -11.4591 -11.4591 -10.4403 -10.4403 -10.2116 -10.2116 -9.8978 -9.8978 -9.8623 -9.8623 -6.1153 -6.1153 -5.9788 -5.9788 -5.2752 -5.2752 6.4385 6.4385 6.5689 6.5689 6.8058 6.8058 6.9528 6.9528 7.4635 7.4635 7.6137 7.6137 9.0832 9.0832 9.3686 9.3686 9.4419 9.4419 14.9609 14.9609 15.1245 15.1245 15.8484 15.8484 16.0905 16.0905 k = 0.2400 0.1386 0.3137 ( 2554 PWs) bands (ev): -30.3173 -30.3173 -30.3020 -30.3020 -11.6446 -11.6446 -11.4741 -11.4741 -10.4524 -10.4524 -10.2291 -10.2291 -9.8988 -9.8988 -9.8664 -9.8664 -6.0843 -6.0843 -5.9562 -5.9562 -5.2710 -5.2710 6.4097 6.4097 6.5837 6.5837 6.8369 6.8369 6.9873 6.9873 7.4301 7.4301 7.6545 7.6545 9.0583 9.0583 9.3696 9.3696 9.4477 9.4477 14.9554 14.9554 15.1334 15.1334 15.8653 15.8653 16.1088 16.1088 k = 0.2500 0.1443 0.3137 ( 2550 PWs) bands (ev): -30.3156 -30.3156 -30.3006 -30.3006 -11.6575 -11.6575 -11.4897 -11.4897 -10.4638 -10.4638 -10.2463 -10.2463 -9.8998 -9.8998 -9.8701 -9.8701 -6.0551 -6.0551 -5.9347 -5.9347 -5.2646 -5.2646 6.3787 6.3787 6.6002 6.6002 6.8685 6.8685 7.0221 7.0221 7.4008 7.4008 7.6959 7.6959 9.0332 9.0332 9.3675 9.3675 9.4532 9.4532 14.9496 14.9496 15.1433 15.1433 15.8799 15.8799 16.1304 16.1304 k = 0.2600 0.1501 0.3137 ( 2554 PWs) bands (ev): -30.3139 -30.3139 -30.2993 -30.2993 -11.6705 -11.6705 -11.5056 -11.5056 -10.4745 -10.4745 -10.2631 -10.2631 -9.9007 -9.9007 -9.8735 -9.8735 -6.0281 -6.0281 -5.9140 -5.9140 -5.2561 -5.2561 6.3460 6.3460 6.6181 6.6181 6.9005 6.9005 7.0565 7.0565 7.3761 7.3761 7.7376 7.7376 9.0080 9.0080 9.3632 9.3632 9.4576 9.4576 14.9433 14.9433 15.1542 15.1542 15.8925 15.8925 16.1548 16.1548 k = 0.2700 0.1559 0.3137 ( 2554 PWs) bands (ev): -30.3122 -30.3122 -30.2979 -30.2979 -11.6835 -11.6835 -11.5219 -11.5219 -10.4845 -10.4845 -10.2795 -10.2795 -9.9017 -9.9017 -9.8765 -9.8765 -6.0038 -6.0038 -5.8940 -5.8940 -5.2454 -5.2454 6.3119 6.3119 6.6372 6.6372 6.9326 6.9326 7.0898 7.0898 7.3565 7.3565 7.7795 7.7795 8.9827 8.9827 9.3572 9.3572 9.4605 9.4605 14.9363 14.9363 15.1663 15.1663 15.9037 15.9037 16.1813 16.1813 k = 0.2800 0.1617 0.3137 ( 2554 PWs) bands (ev): -30.3105 -30.3105 -30.2966 -30.2966 -11.6965 -11.6965 -11.5384 -11.5384 -10.4939 -10.4939 -10.2955 -10.2955 -9.9026 -9.9026 -9.8791 -9.8791 -5.9825 -5.9825 -5.8743 -5.8743 -5.2327 -5.2327 6.2767 6.2767 6.6574 6.6574 6.9649 6.9649 7.1209 7.1209 7.3431 7.3431 7.8215 7.8215 8.9575 8.9575 9.3496 9.3496 9.4617 9.4617 14.9283 14.9283 15.1794 15.1794 15.9141 15.9141 16.2094 16.2094 k = 0.2900 0.1674 0.3137 ( 2550 PWs) bands (ev): -30.3088 -30.3088 -30.2953 -30.2953 -11.7094 -11.7094 -11.5550 -11.5550 -10.5024 -10.5024 -10.3109 -10.3109 -9.9037 -9.9037 -9.8814 -9.8814 -5.9647 -5.9647 -5.8545 -5.8545 -5.2179 -5.2179 6.2406 6.2406 6.6784 6.6784 6.9972 6.9972 7.1485 7.1485 7.3369 7.3369 7.8633 7.8633 8.9324 8.9324 9.3407 9.3407 9.4613 9.4613 14.9192 14.9192 15.1937 15.1937 15.9241 15.9241 16.2384 16.2384 k = 0.3000 0.1732 0.3137 ( 2552 PWs) bands (ev): -30.3071 -30.3071 -30.2940 -30.2940 -11.7222 -11.7222 -11.5717 -11.5717 -10.5103 -10.5103 -10.3258 -10.3258 -9.9048 -9.9048 -9.8832 -9.8832 -5.9505 -5.9505 -5.8346 -5.8346 -5.2015 -5.2015 6.2039 6.2039 6.7002 6.7002 7.0294 7.0294 7.1710 7.1710 7.3393 7.3393 7.9048 7.9048 8.9075 8.9075 9.3303 9.3303 9.4596 9.4596 14.9089 14.9089 15.2091 15.2091 15.9339 15.9339 16.2680 16.2680 k = 0.3100 0.1790 0.3137 ( 2540 PWs) bands (ev): -30.3055 -30.3055 -30.2928 -30.2928 -11.7347 -11.7347 -11.5883 -11.5883 -10.5174 -10.5174 -10.3402 -10.3402 -9.9059 -9.9059 -9.8847 -9.8847 -5.9396 -5.9396 -5.8144 -5.8144 -5.1836 -5.1836 6.1668 6.1668 6.7226 6.7226 7.0613 7.0613 7.1878 7.1878 7.3507 7.3507 7.9458 7.9458 8.8829 8.8829 9.3183 9.3183 9.4567 9.4567 14.8975 14.8975 15.2254 15.2254 15.9438 15.9438 16.2976 16.2976 k = 0.3200 0.1848 0.3137 ( 2540 PWs) bands (ev): -30.3039 -30.3039 -30.2916 -30.2916 -11.7470 -11.7470 -11.6047 -11.6047 -10.5239 -10.5239 -10.3540 -10.3540 -9.9071 -9.9071 -9.8859 -9.8859 -5.9318 -5.9318 -5.7942 -5.7942 -5.1645 -5.1645 6.1297 6.1297 6.7453 6.7453 7.0928 7.0928 7.1997 7.1997 7.3698 7.3698 7.9861 7.9861 8.8586 8.8586 9.3047 9.3047 9.4529 9.4529 14.8849 14.8849 15.2424 15.2424 15.9539 15.9539 16.3271 16.3271 k = 0.3300 0.1905 0.3137 ( 2544 PWs) bands (ev): -30.3023 -30.3023 -30.2904 -30.2904 -11.7590 -11.7590 -11.6209 -11.6209 -10.5297 -10.5297 -10.3672 -10.3672 -9.9083 -9.9083 -9.8869 -9.8869 -5.9266 -5.9266 -5.7743 -5.7743 -5.1446 -5.1446 6.0928 6.0928 6.7682 6.7682 7.1238 7.1238 7.2089 7.2089 7.3943 7.3943 8.0255 8.0255 8.8348 8.8348 9.2895 9.2895 9.4486 9.4486 14.8713 14.8713 15.2601 15.2601 15.9642 15.9642 16.3561 16.3561 k = 0.3400 0.1963 0.3137 ( 2540 PWs) bands (ev): -30.3008 -30.3008 -30.2893 -30.2893 -11.7706 -11.7706 -11.6367 -11.6367 -10.5348 -10.5348 -10.3798 -10.3798 -9.9095 -9.9095 -9.8876 -9.8876 -5.9235 -5.9235 -5.7548 -5.7548 -5.1241 -5.1241 6.0564 6.0564 6.7910 6.7910 7.1540 7.1540 7.2175 7.2175 7.4219 7.4219 8.0639 8.0639 8.8115 8.8115 9.2725 9.2725 9.4440 9.4440 14.8569 14.8569 15.2783 15.2783 15.9749 15.9749 16.3845 16.3845 k = 0.3500 0.2021 0.3137 ( 2536 PWs) bands (ev): -30.2993 -30.2993 -30.2882 -30.2882 -11.7818 -11.7818 -11.6520 -11.6520 -10.5393 -10.5393 -10.3919 -10.3919 -9.9107 -9.9107 -9.8881 -9.8881 -5.9222 -5.9222 -5.7360 -5.7360 -5.1034 -5.1034 6.0208 6.0208 6.8133 6.8133 7.1830 7.1830 7.2273 7.2273 7.4507 7.4507 8.1011 8.1011 8.7889 8.7889 9.2539 9.2539 9.4394 9.4394 14.8421 14.8421 15.2966 15.2966 15.9858 15.9858 16.4121 16.4121 k = 0.3600 0.2078 0.3137 ( 2536 PWs) bands (ev): -30.2979 -30.2979 -30.2872 -30.2872 -11.7926 -11.7926 -11.6667 -11.6667 -10.5432 -10.5432 -10.4033 -10.4033 -9.9118 -9.9118 -9.8885 -9.8885 -5.9221 -5.9221 -5.7180 -5.7180 -5.0828 -5.0828 5.9862 5.9862 6.8348 6.8348 7.2103 7.2103 7.2395 7.2395 7.4797 7.4797 8.1367 8.1367 8.7670 8.7670 9.2337 9.2337 9.4349 9.4349 14.8269 14.8269 15.3148 15.3148 15.9968 15.9968 16.4387 16.4387 k = 0.3700 0.2136 0.3137 ( 2532 PWs) bands (ev): -30.2965 -30.2965 -30.2863 -30.2863 -11.8028 -11.8028 -11.6809 -11.6809 -10.5465 -10.5465 -10.4141 -10.4141 -9.9128 -9.9128 -9.8888 -9.8888 -5.9231 -5.9231 -5.7010 -5.7010 -5.0625 -5.0625 5.9530 5.9530 6.8553 6.8553 7.2343 7.2343 7.2558 7.2558 7.5080 7.5080 8.1708 8.1708 8.7460 8.7460 9.2122 9.2122 9.4306 9.4306 14.8118 14.8118 15.3327 15.3327 16.0080 16.0080 16.4642 16.4642 k = 0.3800 0.2194 0.3137 ( 2532 PWs) bands (ev): -30.2952 -30.2952 -30.2854 -30.2854 -11.8124 -11.8124 -11.6943 -11.6943 -10.5493 -10.5493 -10.4242 -10.4242 -9.9138 -9.9138 -9.8890 -9.8890 -5.9249 -5.9249 -5.6851 -5.6851 -5.0429 -5.0429 5.9213 5.9213 6.8744 6.8744 7.2545 7.2545 7.2769 7.2769 7.5353 7.5353 8.2030 8.2030 8.7259 8.7259 9.1897 9.1897 9.4266 9.4266 14.7969 14.7969 15.3501 15.3501 16.0190 16.0190 16.4883 16.4883 k = 0.3900 0.2252 0.3137 ( 2532 PWs) bands (ev): -30.2940 -30.2940 -30.2846 -30.2846 -11.8215 -11.8215 -11.7069 -11.7069 -10.5516 -10.5516 -10.4338 -10.4338 -9.9146 -9.9146 -9.8892 -9.8892 -5.9272 -5.9272 -5.6702 -5.6702 -5.0241 -5.0241 5.8914 5.8914 6.8919 6.8919 7.2731 7.2731 7.3002 7.3002 7.5611 7.5611 8.2332 8.2332 8.7070 8.7070 9.1666 9.1666 9.4229 9.4229 14.7825 14.7825 15.3665 15.3665 16.0299 16.0299 16.5100 16.5100 k = 0.4000 0.2309 0.3137 ( 2528 PWs) bands (ev): -30.2929 -30.2929 -30.2838 -30.2838 -11.8299 -11.8299 -11.7187 -11.7187 -10.5534 -10.5534 -10.4427 -10.4427 -9.9154 -9.9154 -9.8892 -9.8892 -5.9298 -5.9298 -5.6566 -5.6566 -5.0063 -5.0063 5.8635 5.8635 6.9077 6.9077 7.2921 7.2921 7.3233 7.3233 7.5851 7.5851 8.2612 8.2612 8.6892 8.6892 9.1431 9.1431 9.4196 9.4196 14.7688 14.7688 15.3819 15.3819 16.0404 16.0404 16.5175 16.5175 k = 0.4100 0.2367 0.3137 ( 2532 PWs) bands (ev): -30.2919 -30.2919 -30.2831 -30.2831 -11.8376 -11.8376 -11.7296 -11.7296 -10.5548 -10.5548 -10.4509 -10.4509 -9.9161 -9.9161 -9.8893 -9.8893 -5.9326 -5.9326 -5.6442 -5.6442 -4.9897 -4.9897 5.8377 5.8377 6.9218 6.9218 7.3119 7.3119 7.3453 7.3453 7.6070 7.6070 8.2868 8.2868 8.6729 8.6729 9.1198 9.1198 9.4167 9.4167 14.7561 14.7561 15.3960 15.3960 16.0504 16.0504 16.4939 16.4939 k = 0.4200 0.2425 0.3137 ( 2524 PWs) bands (ev): -30.2909 -30.2909 -30.2825 -30.2825 -11.8446 -11.8446 -11.7394 -11.7394 -10.5558 -10.5558 -10.4584 -10.4584 -9.9166 -9.9166 -9.8893 -9.8893 -5.9354 -5.9354 -5.6330 -5.6330 -4.9745 -4.9745 5.8142 5.8142 6.9341 6.9341 7.3322 7.3322 7.3657 7.3657 7.6266 7.6266 8.3098 8.3098 8.6580 8.6580 9.0970 9.0970 9.4140 9.4140 14.7446 14.7446 15.4087 15.4087 16.0598 16.0598 16.4671 16.4671 k = 0.4300 0.2483 0.3137 ( 2530 PWs) bands (ev): -30.2901 -30.2901 -30.2819 -30.2819 -11.8508 -11.8508 -11.7483 -11.7483 -10.5565 -10.5565 -10.4652 -10.4652 -9.9172 -9.9172 -9.8893 -9.8893 -5.9381 -5.9381 -5.6231 -5.6231 -4.9608 -4.9608 5.7932 5.7932 6.9447 6.9447 7.3526 7.3526 7.3843 7.3843 7.6439 7.6439 8.3302 8.3302 8.6448 8.6448 9.0754 9.0754 9.4118 9.4118 14.7342 14.7342 15.4196 15.4196 16.0684 16.0684 16.4418 16.4418 k = 0.4400 0.2540 0.3137 ( 2526 PWs) bands (ev): -30.2893 -30.2893 -30.2815 -30.2815 -11.8562 -11.8562 -11.7560 -11.7560 -10.5569 -10.5569 -10.4713 -10.4713 -9.9176 -9.9176 -9.8893 -9.8893 -5.9406 -5.9406 -5.6145 -5.6145 -4.9486 -4.9486 5.7747 5.7747 6.9537 6.9537 7.3724 7.3724 7.4008 7.4008 7.6588 7.6588 8.3478 8.3478 8.6333 8.6333 9.0553 9.0553 9.4098 9.4098 14.7253 14.7253 15.4290 15.4290 16.0761 16.0761 16.4191 16.4191 k = 0.4500 0.2598 0.3137 ( 2530 PWs) bands (ev): -30.2887 -30.2887 -30.2811 -30.2811 -11.8609 -11.8609 -11.7626 -11.7626 -10.5570 -10.5570 -10.4766 -10.4766 -9.9179 -9.9179 -9.8893 -9.8893 -5.9429 -5.9429 -5.6072 -5.6072 -4.9382 -4.9382 5.7589 5.7589 6.9610 6.9610 7.3908 7.3908 7.4151 7.4151 7.6711 7.6711 8.3626 8.3626 8.6236 8.6236 9.0373 9.0373 9.4082 9.4082 14.7176 14.7176 15.4366 15.4366 16.0827 16.0827 16.3994 16.3994 k = 0.4600 0.2656 0.3137 ( 2534 PWs) bands (ev): -30.2881 -30.2881 -30.2807 -30.2807 -11.8647 -11.8647 -11.7681 -11.7681 -10.5570 -10.5570 -10.4810 -10.4810 -9.9182 -9.9182 -9.8893 -9.8893 -5.9448 -5.9448 -5.6012 -5.6012 -4.9296 -4.9296 5.7458 5.7458 6.9670 6.9670 7.4074 7.4074 7.4269 7.4269 7.6811 7.6811 8.3745 8.3745 8.6158 8.6158 9.0218 9.0218 9.4068 9.4068 14.7114 14.7114 15.4426 15.4426 16.0882 16.0882 16.3830 16.3830 k = 0.4700 0.2714 0.3137 ( 2532 PWs) bands (ev): -30.2877 -30.2877 -30.2805 -30.2805 -11.8677 -11.8677 -11.7724 -11.7724 -10.5569 -10.5569 -10.4846 -10.4846 -9.9184 -9.9184 -9.8893 -9.8893 -5.9464 -5.9464 -5.5965 -5.5965 -4.9228 -4.9228 5.7356 5.7356 6.9715 6.9715 7.4212 7.4212 7.4361 7.4361 7.6886 7.6886 8.3836 8.3836 8.6099 8.6099 9.0092 9.0092 9.4058 9.4058 14.7066 14.7066 15.4471 15.4471 16.0926 16.0926 16.3702 16.3702 k = 0.4800 0.2771 0.3137 ( 2532 PWs) bands (ev): -30.2874 -30.2874 -30.2803 -30.2803 -11.8699 -11.8699 -11.7755 -11.7755 -10.5568 -10.5568 -10.4872 -10.4872 -9.9186 -9.9186 -9.8893 -9.8893 -5.9475 -5.9475 -5.5932 -5.5932 -4.9179 -4.9179 5.7283 5.7283 6.9746 6.9746 7.4319 7.4319 7.4425 7.4425 7.6939 7.6939 8.3900 8.3900 8.6057 8.6057 9.0000 9.0000 9.4051 9.4051 14.7032 14.7032 15.4502 15.4502 16.0957 16.0957 16.3611 16.3611 k = 0.4900 0.2829 0.3137 ( 2536 PWs) bands (ev): -30.2872 -30.2872 -30.2802 -30.2802 -11.8712 -11.8712 -11.7773 -11.7773 -10.5567 -10.5567 -10.4887 -10.4887 -9.9187 -9.9187 -9.8893 -9.8893 -5.9482 -5.9482 -5.5912 -5.5912 -4.9150 -4.9150 5.7239 5.7239 6.9765 6.9765 7.4387 7.4387 7.4461 7.4461 7.6970 7.6970 8.3938 8.3938 8.6032 8.6032 8.9943 8.9943 9.4046 9.4046 14.7011 14.7011 15.4520 15.4520 16.0976 16.0976 16.3556 16.3556 k = 0.5000 0.2887 0.3137 ( 2528 PWs) bands (ev): -30.2872 -30.2872 -30.2802 -30.2802 -11.8716 -11.8716 -11.7779 -11.7779 -10.5566 -10.5566 -10.4893 -10.4893 -9.9187 -9.9187 -9.8893 -9.8893 -5.9485 -5.9485 -5.5905 -5.5905 -4.9140 -4.9140 5.7224 5.7224 6.9772 6.9772 7.4412 7.4412 7.4472 7.4472 7.6980 7.6980 8.3951 8.3951 8.6024 8.6024 8.9924 8.9924 9.4045 9.4045 14.7005 14.7005 15.4526 15.4526 16.0982 16.0982 16.3537 16.3537 k = 0.5000 0.2887 0.3137 ( 2528 PWs) bands (ev): -30.2872 -30.2872 -30.2802 -30.2802 -11.8716 -11.8716 -11.7779 -11.7779 -10.5566 -10.5566 -10.4893 -10.4893 -9.9187 -9.9187 -9.8893 -9.8893 -5.9485 -5.9485 -5.5905 -5.5905 -4.9140 -4.9140 5.7224 5.7224 6.9772 6.9772 7.4412 7.4412 7.4472 7.4472 7.6980 7.6980 8.3951 8.3951 8.6024 8.6024 8.9924 8.9924 9.4045 9.4045 14.7005 14.7005 15.4526 15.4526 16.0982 16.0982 16.3537 16.3537 k = 0.4943 0.2986 0.3137 ( 2532 PWs) bands (ev): -30.2871 -30.2871 -30.2802 -30.2802 -11.8723 -11.8723 -11.7769 -11.7769 -10.5603 -10.5603 -10.4861 -10.4861 -9.9191 -9.9191 -9.8896 -9.8896 -5.9474 -5.9474 -5.5900 -5.5900 -4.9146 -4.9146 5.7235 5.7235 6.9766 6.9766 7.4342 7.4342 7.4540 7.4540 7.6962 7.6962 8.3960 8.3960 8.6045 8.6045 8.9918 8.9918 9.4040 9.4040 14.6970 14.6970 15.4516 15.4516 16.1001 16.1001 16.3518 16.3518 k = 0.4885 0.3086 0.3137 ( 2532 PWs) bands (ev): -30.2871 -30.2871 -30.2801 -30.2801 -11.8744 -11.8744 -11.7740 -11.7740 -10.5698 -10.5698 -10.4782 -10.4782 -9.9203 -9.9203 -9.8907 -9.8907 -5.9441 -5.9441 -5.5884 -5.5884 -4.9164 -4.9164 5.7270 5.7270 6.9748 6.9748 7.4246 7.4246 7.4630 7.4630 7.6909 7.6909 8.3989 8.3989 8.6107 8.6107 8.9902 8.9902 9.4023 9.4023 14.6869 14.6869 15.4487 15.4487 16.1056 16.1056 16.3463 16.3463 k = 0.4828 0.3185 0.3137 ( 2536 PWs) bands (ev): -30.2870 -30.2870 -30.2801 -30.2801 -11.8775 -11.8775 -11.7694 -11.7694 -10.5828 -10.5828 -10.4679 -10.4679 -9.9224 -9.9224 -9.8924 -9.8924 -5.9387 -5.9387 -5.5857 -5.5857 -4.9194 -4.9194 5.7328 5.7328 6.9717 6.9717 7.4146 7.4146 7.4721 7.4721 7.6826 7.6826 8.4035 8.4035 8.6207 8.6207 8.9873 8.9873 9.3997 9.3997 14.6703 14.6703 15.4436 15.4436 16.1146 16.1146 16.3376 16.3376 k = 0.4770 0.3285 0.3137 ( 2540 PWs) bands (ev): -30.2868 -30.2868 -30.2800 -30.2800 -11.8815 -11.8815 -11.7634 -11.7634 -10.5979 -10.5979 -10.4565 -10.4565 -9.9254 -9.9254 -9.8946 -9.8946 -5.9311 -5.9311 -5.5820 -5.5820 -4.9235 -4.9235 5.7409 5.7409 6.9672 6.9672 7.4042 7.4042 7.4812 7.4812 7.6718 7.6718 8.4097 8.4097 8.6342 8.6342 8.9833 8.9833 9.3960 9.3960 14.6480 14.6480 15.4365 15.4365 16.1264 16.1264 16.3265 16.3265 k = 0.4713 0.3384 0.3137 ( 2540 PWs) bands (ev): -30.2867 -30.2867 -30.2799 -30.2799 -11.8861 -11.8861 -11.7562 -11.7562 -10.6143 -10.6143 -10.4447 -10.4447 -9.9292 -9.9292 -9.8973 -9.8973 -5.9216 -5.9216 -5.5774 -5.5774 -4.9288 -4.9288 5.7512 5.7512 6.9611 6.9611 7.3934 7.3934 7.4904 7.4904 7.6592 7.6592 8.4175 8.4175 8.6509 8.6509 8.9779 8.9779 9.3914 9.3914 14.6207 14.6207 15.4272 15.4272 16.1408 16.1408 16.3138 16.3138 k = 0.4655 0.3484 0.3137 ( 2542 PWs) bands (ev): -30.2864 -30.2864 -30.2798 -30.2798 -11.8911 -11.8911 -11.7481 -11.7481 -10.6317 -10.6317 -10.4329 -10.4329 -9.9340 -9.9340 -9.9004 -9.9004 -5.9101 -5.9101 -5.5717 -5.5717 -4.9352 -4.9352 5.7637 5.7637 6.9531 6.9531 7.3822 7.3822 7.4998 7.4998 7.6457 7.6457 8.4265 8.4265 8.6701 8.6701 8.9710 8.9710 9.3860 9.3860 14.5891 14.5891 15.4156 15.4156 16.1570 16.1570 16.3004 16.3004 k = 0.4598 0.3584 0.3137 ( 2534 PWs) bands (ev): -30.2862 -30.2862 -30.2796 -30.2796 -11.8962 -11.8962 -11.7393 -11.7393 -10.6499 -10.6499 -10.4211 -10.4211 -9.9398 -9.9398 -9.9037 -9.9037 -5.8968 -5.8968 -5.5652 -5.5652 -4.9427 -4.9427 5.7783 5.7783 6.9431 6.9431 7.3708 7.3708 7.5095 7.5095 7.6320 7.6320 8.4368 8.4368 8.6915 8.6915 8.9625 8.9625 9.3799 9.3799 14.5540 14.5540 15.4017 15.4017 16.1743 16.1743 16.2871 16.2871 k = 0.4540 0.3683 0.3137 ( 2534 PWs) bands (ev): -30.2859 -30.2859 -30.2795 -30.2795 -11.9015 -11.9015 -11.7299 -11.7299 -10.6687 -10.6687 -10.4095 -10.4095 -9.9465 -9.9465 -9.9072 -9.9072 -5.8818 -5.8818 -5.5579 -5.5579 -4.9513 -4.9513 5.7951 5.7951 6.9308 6.9308 7.3590 7.3590 7.5195 7.5195 7.6191 7.6191 8.4481 8.4481 8.7145 8.7145 8.9523 8.9523 9.3731 9.3731 14.5163 14.5163 15.3854 15.3854 16.1920 16.1920 16.2750 16.2750 k = 0.4483 0.3783 0.3137 ( 2542 PWs) bands (ev): -30.2856 -30.2856 -30.2793 -30.2793 -11.9068 -11.9068 -11.7200 -11.7200 -10.6882 -10.6882 -10.3980 -10.3980 -9.9542 -9.9542 -9.9107 -9.9107 -5.8652 -5.8652 -5.5498 -5.5498 -4.9609 -4.9609 5.8139 5.8139 6.9160 6.9160 7.3469 7.3469 7.5299 7.5299 7.6074 7.6074 8.4604 8.4604 8.7386 8.7386 8.9402 8.9402 9.3659 9.3659 14.4768 14.4768 15.3667 15.3667 16.2081 16.2081 16.2662 16.2662 k = 0.4425 0.3882 0.3137 ( 2542 PWs) bands (ev): -30.2852 -30.2852 -30.2792 -30.2792 -11.9121 -11.9121 -11.7098 -11.7098 -10.7080 -10.7080 -10.3868 -10.3868 -9.9628 -9.9628 -9.9142 -9.9142 -5.8472 -5.8472 -5.5410 -5.5410 -4.9716 -4.9716 5.8345 5.8345 6.8986 6.8986 7.3346 7.3346 7.5408 7.5408 7.5976 7.5976 8.4735 8.4735 8.7635 8.7635 8.9262 8.9262 9.3581 9.3581 14.4360 14.4360 15.3457 15.3457 16.2186 16.2186 16.2649 16.2649 k = 0.4368 0.3982 0.3137 ( 2542 PWs) bands (ev): -30.2849 -30.2849 -30.2790 -30.2790 -11.9173 -11.9173 -11.6992 -11.6992 -10.7282 -10.7282 -10.3756 -10.3756 -9.9722 -9.9722 -9.9176 -9.9176 -5.8280 -5.8280 -5.5315 -5.5315 -4.9831 -4.9831 5.8571 5.8571 6.8786 6.8786 7.3222 7.3222 7.5522 7.5522 7.5902 7.5902 8.4872 8.4872 8.7886 8.7886 8.9102 8.9102 9.3501 9.3501 14.3948 14.3948 15.3226 15.3226 16.2197 16.2197 16.2749 16.2749 k = 0.4310 0.4081 0.3137 ( 2542 PWs) bands (ev): -30.2845 -30.2845 -30.2788 -30.2788 -11.9223 -11.9223 -11.6884 -11.6884 -10.7487 -10.7487 -10.3647 -10.3647 -9.9823 -9.9823 -9.9210 -9.9210 -5.8078 -5.8078 -5.5215 -5.5215 -4.9956 -4.9956 5.8813 5.8813 6.8560 6.8560 7.3097 7.3097 7.5641 7.5641 7.5854 7.5854 8.5016 8.5016 8.8136 8.8136 8.8925 8.8925 9.3416 9.3416 14.3536 14.3536 15.2974 15.2974 16.2158 16.2158 16.2920 16.2920 k = 0.4253 0.4181 0.3137 ( 2546 PWs) bands (ev): -30.2841 -30.2841 -30.2786 -30.2786 -11.9272 -11.9272 -11.6774 -11.6774 -10.7693 -10.7693 -10.3539 -10.3539 -9.9931 -9.9931 -9.9243 -9.9243 -5.7868 -5.7868 -5.5110 -5.5110 -5.0088 -5.0088 5.9071 5.9071 6.8311 6.8311 7.2971 7.2971 7.5762 7.5762 7.5837 7.5837 8.5164 8.5164 8.8370 8.8370 8.8741 8.8741 9.3329 9.3329 14.3130 14.3130 15.2705 15.2705 16.2112 16.2112 16.3117 16.3117 k = 0.4195 0.4280 0.3137 ( 2546 PWs) bands (ev): -30.2836 -30.2836 -30.2784 -30.2784 -11.9320 -11.9320 -11.6664 -11.6664 -10.7898 -10.7898 -10.3432 -10.3432 -10.0044 -10.0044 -9.9274 -9.9274 -5.7652 -5.7652 -5.5000 -5.5000 -5.0229 -5.0229 5.9343 5.9343 6.8040 6.8040 7.2847 7.2847 7.5826 7.5826 7.5908 7.5908 8.5314 8.5314 8.8431 8.8431 8.8707 8.8707 9.3239 9.3239 14.2733 14.2733 15.2422 15.2422 16.2076 16.2076 16.3326 16.3326 k = 0.4138 0.4380 0.3137 ( 2546 PWs) bands (ev): -30.2832 -30.2832 -30.2782 -30.2782 -11.9366 -11.9366 -11.6554 -11.6554 -10.8103 -10.8103 -10.3326 -10.3326 -10.0162 -10.0162 -9.9304 -9.9304 -5.7433 -5.7433 -5.4886 -5.4886 -5.0376 -5.0376 5.9627 5.9627 6.7751 6.7751 7.2725 7.2725 7.5860 7.5860 7.6042 7.6042 8.5466 8.5466 8.8224 8.8224 8.8917 8.8917 9.3146 9.3146 14.2349 14.2349 15.2130 15.2130 16.2054 16.2054 16.3539 16.3539 k = 0.4080 0.4479 0.3137 ( 2538 PWs) bands (ev): -30.2827 -30.2827 -30.2780 -30.2780 -11.9410 -11.9410 -11.6444 -11.6444 -10.8304 -10.8304 -10.3220 -10.3220 -10.0283 -10.0283 -9.9332 -9.9332 -5.7212 -5.7212 -5.4768 -5.4768 -5.0530 -5.0530 5.9923 5.9923 6.7448 6.7448 7.2605 7.2605 7.5913 7.5913 7.6186 7.6186 8.5617 8.5617 8.7973 8.7973 8.9149 8.9149 9.3050 9.3050 14.1982 14.1982 15.1832 15.1832 16.2047 16.2047 16.3755 16.3755 k = 0.4023 0.4579 0.3137 ( 2534 PWs) bands (ev): -30.2822 -30.2822 -30.2778 -30.2778 -11.9452 -11.9452 -11.6336 -11.6336 -10.8501 -10.8501 -10.3116 -10.3116 -10.0407 -10.0407 -9.9357 -9.9357 -5.6994 -5.6994 -5.4646 -5.4646 -5.0690 -5.0690 6.0227 6.0227 6.7134 6.7134 7.2489 7.2489 7.5987 7.5987 7.6335 7.6335 8.5765 8.5765 8.7703 8.7703 8.9377 8.9377 9.2951 9.2951 14.1635 14.1635 15.1532 15.1532 16.2054 16.2054 16.3971 16.3971 k = 0.3966 0.4679 0.3137 ( 2538 PWs) bands (ev): -30.2818 -30.2818 -30.2776 -30.2776 -11.9492 -11.9492 -11.6232 -11.6232 -10.8692 -10.8692 -10.3012 -10.3012 -10.0533 -10.0533 -9.9381 -9.9381 -5.6780 -5.6780 -5.4520 -5.4520 -5.0854 -5.0854 6.0537 6.0537 6.6812 6.6812 7.2378 7.2378 7.6078 7.6078 7.6488 7.6488 8.5908 8.5908 8.7421 8.7421 8.9598 8.9598 9.2848 9.2848 14.1309 14.1309 15.1236 15.1236 16.2075 16.2075 16.4188 16.4188 k = 0.3908 0.4778 0.3137 ( 2538 PWs) bands (ev): -30.2813 -30.2813 -30.2775 -30.2775 -11.9529 -11.9529 -11.6131 -11.6131 -10.8875 -10.8875 -10.2908 -10.2908 -10.0660 -10.0660 -9.9403 -9.9403 -5.6574 -5.6574 -5.4390 -5.4390 -5.1021 -5.1021 6.0852 6.0852 6.6487 6.6487 7.2273 7.2273 7.6184 7.6184 7.6645 7.6645 8.6041 8.6041 8.7134 8.7134 8.9812 8.9812 9.2741 9.2741 14.1006 14.1006 15.0948 15.0948 16.2107 16.2107 16.4403 16.4403 k = 0.3851 0.4878 0.3137 ( 2540 PWs) bands (ev): -30.2808 -30.2808 -30.2774 -30.2774 -11.9564 -11.9564 -11.6035 -11.6035 -10.9048 -10.9048 -10.2805 -10.2805 -10.0788 -10.0788 -9.9423 -9.9423 -5.6378 -5.6378 -5.4257 -5.4257 -5.1191 -5.1191 6.1169 6.1169 6.6162 6.6162 7.2175 7.2175 7.6302 7.6302 7.6802 7.6802 8.6154 8.6154 8.6854 8.6854 9.0017 9.0017 9.2630 9.2630 14.0728 14.0728 15.0671 15.0671 16.2148 16.2148 16.4617 16.4617 k = 0.3793 0.4977 0.3137 ( 2544 PWs) bands (ev): -30.2804 -30.2804 -30.2772 -30.2772 -11.9597 -11.9597 -11.5945 -11.5945 -10.9210 -10.9210 -10.2702 -10.2702 -10.0915 -10.0915 -9.9440 -9.9440 -5.6197 -5.6197 -5.4119 -5.4119 -5.1363 -5.1363 6.1484 6.1484 6.5840 6.5840 7.2085 7.2085 7.6429 7.6429 7.6958 7.6958 8.6209 8.6209 8.6624 8.6624 9.0214 9.0214 9.2515 9.2515 14.0477 14.0477 15.0411 15.0411 16.2196 16.2196 16.4829 16.4829 k = 0.3736 0.5077 0.3137 ( 2544 PWs) bands (ev): -30.2799 -30.2799 -30.2772 -30.2772 -11.9626 -11.9626 -11.5863 -11.5863 -10.9358 -10.9358 -10.2599 -10.2599 -10.1042 -10.1042 -9.9455 -9.9455 -5.6032 -5.6032 -5.3977 -5.3977 -5.1534 -5.1534 6.1796 6.1796 6.5523 6.5523 7.2004 7.2004 7.6563 7.6563 7.7108 7.7108 8.6093 8.6093 8.6560 8.6560 9.0402 9.0402 9.2397 9.2397 14.0253 14.0253 15.0171 15.0171 16.2248 16.2248 16.5036 16.5036 k = 0.3678 0.5176 0.3137 ( 2548 PWs) bands (ev): -30.2795 -30.2795 -30.2771 -30.2771 -11.9652 -11.9652 -11.5789 -11.5789 -10.9491 -10.9491 -10.2496 -10.2496 -10.1167 -10.1167 -9.9468 -9.9468 -5.5886 -5.5886 -5.3832 -5.3832 -5.1704 -5.1704 6.2102 6.2102 6.5215 6.5215 7.1932 7.1932 7.6699 7.6699 7.7249 7.7249 8.5856 8.5856 8.6617 8.6617 9.0581 9.0581 9.2274 9.2274 14.0056 14.0056 14.9955 14.9955 16.2302 16.2302 16.5239 16.5239 k = 0.3621 0.5276 0.3137 ( 2552 PWs) bands (ev): -30.2791 -30.2791 -30.2771 -30.2771 -11.9675 -11.9675 -11.5725 -11.5725 -10.9606 -10.9606 -10.2393 -10.2393 -10.1289 -10.1289 -9.9479 -9.9479 -5.5761 -5.5761 -5.3685 -5.3685 -5.1870 -5.1870 6.2398 6.2398 6.4918 6.4918 7.1871 7.1871 7.6835 7.6835 7.7373 7.7373 8.5606 8.5606 8.6693 8.6693 9.0752 9.0752 9.2149 9.2149 13.9889 13.9889 14.9766 14.9766 16.2354 16.2354 16.5435 16.5435 k = 0.3563 0.5375 0.3137 ( 2560 PWs) bands (ev): -30.2787 -30.2787 -30.2771 -30.2771 -11.9695 -11.9695 -11.5672 -11.5672 -10.9702 -10.9702 -10.2290 -10.2290 -10.1409 -10.1409 -9.9488 -9.9488 -5.5659 -5.5659 -5.3541 -5.3541 -5.2028 -5.2028 6.2681 6.2681 6.4634 6.4634 7.1821 7.1821 7.6969 7.6969 7.7476 7.7476 8.5375 8.5375 8.6763 8.6763 9.0915 9.0915 9.2021 9.2021 13.9751 13.9751 14.9607 14.9607 16.2403 16.2403 16.5623 16.5623 k = 0.3506 0.5475 0.3137 ( 2560 PWs) bands (ev): -30.2784 -30.2784 -30.2771 -30.2771 -11.9710 -11.9710 -11.5631 -11.5631 -10.9778 -10.9778 -10.2187 -10.2187 -10.1525 -10.1525 -9.9494 -9.9494 -5.5579 -5.5579 -5.3403 -5.3403 -5.2175 -5.2175 6.2951 6.2951 6.4365 6.4365 7.1783 7.1783 7.7097 7.7097 7.7548 7.7548 8.5179 8.5179 8.6821 8.6821 9.1070 9.1070 9.1891 9.1891 13.9643 13.9643 14.9481 14.9481 16.2445 16.2445 16.5802 16.5802 k = 0.3448 0.5574 0.3137 ( 2564 PWs) bands (ev): -30.2781 -30.2781 -30.2772 -30.2772 -11.9722 -11.9722 -11.5602 -11.5602 -10.9833 -10.9833 -10.2087 -10.2087 -10.1636 -10.1636 -9.9499 -9.9499 -5.5523 -5.5523 -5.3282 -5.3282 -5.2301 -5.2301 6.3202 6.3202 6.4114 6.4114 7.1756 7.1756 7.7215 7.7215 7.7585 7.7585 8.5029 8.5029 8.6865 8.6865 9.1218 9.1218 9.1761 9.1761 13.9565 13.9565 14.9389 14.9389 16.2477 16.2477 16.5967 16.5967 k = 0.3391 0.5674 0.3137 ( 2564 PWs) bands (ev): -30.2778 -30.2778 -30.2774 -30.2774 -11.9729 -11.9729 -11.5584 -11.5584 -10.9866 -10.9866 -10.1992 -10.1992 -10.1737 -10.1737 -9.9502 -9.9502 -5.5490 -5.5490 -5.3194 -5.3194 -5.2391 -5.2391 6.3431 6.3431 6.3886 6.3886 7.1741 7.1741 7.7314 7.7314 7.7584 7.7584 8.4934 8.4934 8.6892 8.6892 9.1356 9.1356 9.1631 9.1631 13.9518 13.9518 14.9333 14.9333 16.2498 16.2498 16.6113 16.6113 k = 0.3333 0.5774 0.3137 ( 2580 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9731 -11.9731 -11.5579 -11.5579 -10.9877 -10.9877 -10.1936 -10.1936 -10.1796 -10.1796 -9.9503 -9.9503 -5.5479 -5.5479 -5.3162 -5.3162 -5.2424 -5.2424 6.3585 6.3585 6.3732 6.3732 7.1736 7.1736 7.7362 7.7362 7.7569 7.7569 8.4902 8.4902 8.6901 8.6901 9.1459 9.1459 9.1531 9.1531 13.9502 13.9502 14.9314 14.9314 16.2505 16.2505 16.6194 16.6194 k = 0.3333 0.5774 0.3137 ( 2580 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9731 -11.9731 -11.5579 -11.5579 -10.9877 -10.9877 -10.1936 -10.1936 -10.1796 -10.1796 -9.9503 -9.9503 -5.5479 -5.5479 -5.3162 -5.3162 -5.2424 -5.2424 6.3585 6.3585 6.3732 6.3732 7.1736 7.1736 7.7362 7.7362 7.7569 7.7569 8.4902 8.4902 8.6901 8.6901 9.1459 9.1459 9.1531 9.1531 13.9502 13.9502 14.9314 14.9314 16.2505 16.2505 16.6194 16.6194 k = 0.3275 0.5672 0.3137 ( 2572 PWs) bands (ev): -30.2778 -30.2778 -30.2774 -30.2774 -11.9729 -11.9729 -11.5584 -11.5584 -10.9866 -10.9866 -10.1992 -10.1992 -10.1737 -10.1737 -9.9502 -9.9502 -5.5490 -5.5490 -5.3193 -5.3193 -5.2392 -5.2392 6.3448 6.3448 6.3869 6.3869 7.1740 7.1740 7.7296 7.7296 7.7599 7.7599 8.4936 8.4936 8.6891 8.6891 9.1358 9.1358 9.1629 9.1629 13.9519 13.9519 14.9334 14.9334 16.2497 16.2497 16.6117 16.6117 k = 0.3216 0.5571 0.3137 ( 2564 PWs) bands (ev): -30.2781 -30.2781 -30.2772 -30.2772 -11.9721 -11.9721 -11.5600 -11.5600 -10.9833 -10.9833 -10.2082 -10.2082 -10.1640 -10.1640 -9.9499 -9.9499 -5.5522 -5.5522 -5.3273 -5.3273 -5.2315 -5.2315 6.3279 6.3279 6.4038 6.4038 7.1753 7.1753 7.7132 7.7132 7.7656 7.7656 8.5037 8.5037 8.6862 8.6862 9.1231 9.1231 9.1750 9.1750 13.9568 13.9568 14.9392 14.9392 16.2474 16.2474 16.5991 16.5991 k = 0.3158 0.5470 0.3137 ( 2556 PWs) bands (ev): -30.2785 -30.2785 -30.2771 -30.2771 -11.9707 -11.9707 -11.5624 -11.5624 -10.9780 -10.9780 -10.2174 -10.2174 -10.1536 -10.1536 -9.9495 -9.9495 -5.5573 -5.5573 -5.3376 -5.3376 -5.2218 -5.2218 6.3131 6.3131 6.4189 6.4189 7.1771 7.1771 7.6903 7.6903 7.7707 7.7707 8.5201 8.5201 8.6814 8.6814 9.1107 9.1107 9.1866 9.1866 13.9651 13.9651 14.9487 14.9487 16.2434 16.2434 16.5858 16.5858 k = 0.3099 0.5368 0.3137 ( 2552 PWs) bands (ev): -30.2789 -30.2789 -30.2771 -30.2771 -11.9687 -11.9687 -11.5655 -11.5655 -10.9707 -10.9707 -10.2264 -10.2264 -10.1430 -10.1430 -9.9490 -9.9490 -5.5643 -5.5643 -5.3489 -5.3489 -5.2116 -5.2116 6.3007 6.3007 6.4320 6.4320 7.1792 7.1792 7.6627 7.6627 7.7744 7.7744 8.5419 8.5419 8.6747 8.6747 9.0988 9.0988 9.1975 9.1975 13.9768 13.9768 14.9619 14.9619 16.2381 16.2381 16.5724 16.5724 k = 0.3041 0.5267 0.3137 ( 2556 PWs) bands (ev): -30.2794 -30.2794 -30.2771 -30.2771 -11.9661 -11.9661 -11.5692 -11.5692 -10.9618 -10.9618 -10.2349 -10.2349 -10.1324 -10.1324 -9.9483 -9.9483 -5.5728 -5.5728 -5.3606 -5.3606 -5.2018 -5.2018 6.2908 6.2908 6.4431 6.4431 7.1813 7.1813 7.6313 7.6313 7.7762 7.7762 8.5679 8.5679 8.6665 8.6665 9.0876 9.0876 9.2079 9.2079 13.9918 13.9918 14.9783 14.9783 16.2317 16.2317 16.5588 16.5588 k = 0.2982 0.5166 0.3137 ( 2544 PWs) bands (ev): -30.2799 -30.2799 -30.2772 -30.2772 -11.9628 -11.9628 -11.5731 -11.5731 -10.9513 -10.9513 -10.2429 -10.2429 -10.1217 -10.1217 -9.9475 -9.9475 -5.5827 -5.5827 -5.3725 -5.3725 -5.1929 -5.1929 6.2835 6.2835 6.4523 6.4523 7.1829 7.1829 7.5971 7.5971 7.7760 7.7760 8.5960 8.5960 8.6580 8.6580 9.0772 9.0772 9.2176 9.2176 14.0102 14.0102 14.9977 14.9977 16.2248 16.2248 16.5450 16.5450 k = 0.2924 0.5064 0.3137 ( 2544 PWs) bands (ev): -30.2806 -30.2806 -30.2773 -30.2773 -11.9589 -11.9589 -11.5772 -11.5772 -10.9394 -10.9394 -10.2505 -10.2505 -10.1111 -10.1111 -9.9465 -9.9465 -5.5937 -5.5937 -5.3845 -5.3845 -5.1852 -5.1852 6.2790 6.2790 6.4598 6.4598 7.1836 7.1836 7.5611 7.5611 7.7735 7.7735 8.6175 8.6175 8.6571 8.6571 9.0680 9.0680 9.2268 9.2268 14.0320 14.0320 15.0196 15.0196 16.2179 16.2179 16.5307 16.5307 k = 0.2865 0.4963 0.3137 ( 2550 PWs) bands (ev): -30.2813 -30.2813 -30.2775 -30.2775 -11.9543 -11.9543 -11.5813 -11.5813 -10.9263 -10.9263 -10.2576 -10.2576 -10.1005 -10.1005 -9.9455 -9.9455 -5.6057 -5.6057 -5.3967 -5.3967 -5.1788 -5.1788 6.2771 6.2771 6.4657 6.4657 7.1829 7.1829 7.5241 7.5241 7.7689 7.7689 8.6150 8.6150 8.6800 8.6800 9.0601 9.0601 9.2354 9.2354 14.0572 14.0572 15.0434 15.0434 16.2117 16.2117 16.5158 16.5158 k = 0.2807 0.4862 0.3137 ( 2546 PWs) bands (ev): -30.2820 -30.2820 -30.2778 -30.2778 -11.9489 -11.9489 -11.5851 -11.5851 -10.9121 -10.9121 -10.2641 -10.2641 -10.0899 -10.0899 -9.9444 -9.9444 -5.6183 -5.6183 -5.4092 -5.4092 -5.1738 -5.1738 6.2781 6.2781 6.4703 6.4703 7.1802 7.1802 7.4870 7.4870 7.7619 7.7619 8.6006 8.6006 8.7141 8.7141 9.0539 9.0539 9.2435 9.2435 14.0856 14.0856 15.0685 15.0685 16.2069 16.2069 16.5001 16.5001 k = 0.2749 0.4761 0.3137 ( 2540 PWs) bands (ev): -30.2828 -30.2828 -30.2781 -30.2781 -11.9428 -11.9428 -11.5886 -11.5886 -10.8970 -10.8970 -10.2702 -10.2702 -10.0794 -10.0794 -9.9432 -9.9432 -5.6315 -5.6315 -5.4219 -5.4219 -5.1704 -5.1704 6.2818 6.2818 6.4737 6.4737 7.1749 7.1749 7.4507 7.4507 7.7526 7.7526 8.5821 8.5821 8.7503 8.7503 9.0499 9.0499 9.2510 9.2510 14.1173 14.1173 15.0941 15.0941 16.2044 16.2044 16.4833 16.4833 k = 0.2690 0.4659 0.3137 ( 2544 PWs) bands (ev): -30.2837 -30.2837 -30.2785 -30.2785 -11.9360 -11.9360 -11.5917 -11.5917 -10.8811 -10.8811 -10.2757 -10.2757 -10.0690 -10.0690 -9.9420 -9.9420 -5.6452 -5.6452 -5.4351 -5.4351 -5.1684 -5.1684 6.2883 6.2883 6.4762 6.4762 7.1663 7.1663 7.4161 7.4161 7.7410 7.7410 8.5611 8.5611 8.7861 8.7861 9.0485 9.0485 9.2581 9.2581 14.1520 14.1520 15.1193 15.1193 16.2050 16.2050 16.4652 16.4652 k = 0.2632 0.4558 0.3137 ( 2540 PWs) bands (ev): -30.2847 -30.2847 -30.2790 -30.2790 -11.9285 -11.9285 -11.5942 -11.5942 -10.8645 -10.8645 -10.2807 -10.2807 -10.0587 -10.0587 -9.9406 -9.9406 -5.6591 -5.6591 -5.4488 -5.4488 -5.1680 -5.1680 6.2977 6.2977 6.4778 6.4778 7.1536 7.1536 7.3841 7.3841 7.7271 7.7271 8.5380 8.5380 8.8201 8.8201 9.0508 9.0508 9.2647 9.2647 14.1898 14.1898 15.1432 15.1432 16.2095 16.2095 16.4460 16.4460 k = 0.2573 0.4457 0.3137 ( 2544 PWs) bands (ev): -30.2857 -30.2857 -30.2795 -30.2795 -11.9202 -11.9202 -11.5960 -11.5960 -10.8474 -10.8474 -10.2851 -10.2851 -10.0485 -10.0485 -9.9392 -9.9392 -5.6733 -5.6733 -5.4631 -5.4631 -5.1691 -5.1691 6.3098 6.3098 6.4788 6.4788 7.1364 7.1364 7.3552 7.3552 7.7110 7.7110 8.5128 8.5128 8.8507 8.8507 9.0576 9.0576 9.2709 9.2709 14.2302 14.2302 15.1651 15.1651 16.2185 16.2185 16.4254 16.4254 k = 0.2515 0.4355 0.3137 ( 2544 PWs) bands (ev): -30.2868 -30.2868 -30.2801 -30.2801 -11.9112 -11.9112 -11.5971 -11.5971 -10.8297 -10.8297 -10.2890 -10.2890 -10.0384 -10.0384 -9.9378 -9.9378 -5.6876 -5.6876 -5.4779 -5.4779 -5.1716 -5.1716 6.3246 6.3246 6.4793 6.4793 7.1147 7.1147 7.3296 7.3296 7.6928 7.6928 8.4858 8.4858 8.8766 8.8766 9.0700 9.0700 9.2769 9.2769 14.2731 14.2731 15.1841 15.1841 16.2324 16.2324 16.4036 16.4036 k = 0.2456 0.4254 0.3137 ( 2544 PWs) bands (ev): -30.2880 -30.2880 -30.2808 -30.2808 -11.9015 -11.9015 -11.5973 -11.5973 -10.8117 -10.8117 -10.2923 -10.2923 -10.0285 -10.0285 -9.9363 -9.9363 -5.7020 -5.7020 -5.4935 -5.4935 -5.1755 -5.1755 6.3422 6.3422 6.4795 6.4795 7.0889 7.0889 7.3069 7.3069 7.6726 7.6726 8.4569 8.4569 8.8971 8.8971 9.0882 9.0882 9.2825 9.2825 14.3183 14.3183 15.1996 15.1996 16.2512 16.2512 16.3810 16.3810 k = 0.2398 0.4153 0.3137 ( 2536 PWs) bands (ev): -30.2892 -30.2892 -30.2815 -30.2815 -11.8911 -11.8911 -11.5967 -11.5967 -10.7933 -10.7933 -10.2950 -10.2950 -10.0187 -10.0187 -9.9348 -9.9348 -5.7166 -5.7166 -5.5097 -5.5097 -5.1808 -5.1808 6.3623 6.3623 6.4794 6.4794 7.0599 7.0599 7.2865 7.2865 7.6505 7.6505 8.4263 8.4263 8.9125 8.9125 9.1117 9.1117 9.2879 9.2879 14.3653 14.3653 15.2113 15.2113 16.2739 16.2739 16.3585 16.3585 k = 0.2339 0.4052 0.3137 ( 2540 PWs) bands (ev): -30.2905 -30.2905 -30.2823 -30.2823 -11.8800 -11.8800 -11.5953 -11.5953 -10.7747 -10.7747 -10.2970 -10.2970 -10.0091 -10.0091 -9.9332 -9.9332 -5.7315 -5.7315 -5.5267 -5.5267 -5.1871 -5.1871 6.3850 6.3850 6.4792 6.4792 7.0286 7.0286 7.2673 7.2673 7.6266 7.6266 8.3940 8.3940 8.9242 8.9242 9.1389 9.1389 9.2931 9.2931 14.4137 14.4137 15.2190 15.2190 16.2945 16.2945 16.3419 16.3419 k = 0.2281 0.3950 0.3137 ( 2540 PWs) bands (ev): -30.2918 -30.2918 -30.2832 -30.2832 -11.8683 -11.8683 -11.5929 -11.5929 -10.7559 -10.7559 -10.2984 -10.2984 -9.9997 -9.9997 -9.9317 -9.9317 -5.7465 -5.7465 -5.5444 -5.5444 -5.1946 -5.1946 6.4101 6.4101 6.4791 6.4791 6.9960 6.9960 7.2486 7.2486 7.6012 7.6012 8.3602 8.3602 8.9335 8.9335 9.1682 9.1682 9.2983 9.2983 14.4630 14.4630 15.2228 15.2228 16.2897 16.2897 16.3536 16.3536 k = 0.2222 0.3849 0.3137 ( 2530 PWs) bands (ev): -30.2933 -30.2933 -30.2841 -30.2841 -11.8560 -11.8560 -11.5896 -11.5896 -10.7369 -10.7369 -10.2991 -10.2991 -9.9904 -9.9904 -9.9301 -9.9301 -5.7618 -5.7618 -5.5629 -5.5629 -5.2028 -5.2028 6.4375 6.4375 6.4792 6.4792 6.9628 6.9628 7.2299 7.2299 7.5744 7.5744 8.3248 8.3248 8.9414 8.9414 9.1982 9.1982 9.3034 9.3034 14.5130 14.5130 15.2230 15.2230 16.2664 16.2664 16.3845 16.3845 k = 0.2164 0.3748 0.3137 ( 2534 PWs) bands (ev): -30.2947 -30.2947 -30.2851 -30.2851 -11.8432 -11.8432 -11.5854 -11.5854 -10.7179 -10.7179 -10.2991 -10.2991 -9.9814 -9.9814 -9.9284 -9.9284 -5.7776 -5.7776 -5.5823 -5.5823 -5.2118 -5.2118 6.4667 6.4667 6.4797 6.4797 6.9296 6.9296 7.2105 7.2105 7.5465 7.5465 8.2880 8.2880 8.9490 8.9490 9.2278 9.2278 9.3086 9.3086 14.5628 14.5628 15.2200 15.2200 16.2391 16.2391 16.3930 16.3930 k = 0.2105 0.3646 0.3137 ( 2534 PWs) bands (ev): -30.2962 -30.2962 -30.2861 -30.2861 -11.8299 -11.8299 -11.5802 -11.5802 -10.6988 -10.6988 -10.2983 -10.2983 -9.9726 -9.9726 -9.9268 -9.9268 -5.7939 -5.7939 -5.6025 -5.6025 -5.2212 -5.2212 6.4794 6.4794 6.4989 6.4989 6.8968 6.8968 7.1903 7.1903 7.5177 7.5177 8.2499 8.2499 8.9566 8.9566 9.2564 9.2564 9.3140 9.3140 14.6122 14.6122 15.2142 15.2142 16.2103 16.2103 16.3660 16.3660 k = 0.2047 0.3545 0.3137 ( 2536 PWs) bands (ev): -30.2978 -30.2978 -30.2872 -30.2872 -11.8161 -11.8161 -11.5742 -11.5742 -10.6797 -10.6797 -10.2967 -10.2967 -9.9640 -9.9640 -9.9252 -9.9252 -5.8109 -5.8109 -5.6235 -5.6235 -5.2309 -5.2309 6.4806 6.4806 6.5318 6.5318 6.8647 6.8647 7.1691 7.1691 7.4884 7.4884 8.2105 8.2105 8.9646 8.9646 9.2830 9.2830 9.3198 9.3198 14.6603 14.6603 15.2061 15.2061 16.1807 16.1807 16.3367 16.3367 k = 0.1988 0.3444 0.3137 ( 2544 PWs) bands (ev): -30.2994 -30.2994 -30.2883 -30.2883 -11.8019 -11.8019 -11.5673 -11.5673 -10.6607 -10.6607 -10.2942 -10.2942 -9.9556 -9.9556 -9.9235 -9.9235 -5.8286 -5.8286 -5.6454 -5.6454 -5.2406 -5.2406 6.4821 6.4821 6.5662 6.5662 6.8335 6.8335 7.1468 7.1468 7.4590 7.4590 8.1702 8.1702 8.9732 8.9732 9.3065 9.3065 9.3269 9.3269 14.7069 14.7069 15.1963 15.1963 16.1507 16.1507 16.3075 16.3075 k = 0.1930 0.3343 0.3137 ( 2548 PWs) bands (ev): -30.3010 -30.3010 -30.2895 -30.2895 -11.7874 -11.7874 -11.5595 -11.5595 -10.6417 -10.6417 -10.2909 -10.2909 -9.9474 -9.9474 -9.9219 -9.9219 -5.8473 -5.8473 -5.6683 -5.6683 -5.2500 -5.2500 6.4841 6.4841 6.6015 6.6015 6.8035 6.8035 7.1234 7.1234 7.4298 7.4298 8.1289 8.1289 8.9827 8.9827 9.3230 9.3230 9.3389 9.3389 14.7512 14.7512 15.1851 15.1851 16.1203 16.1203 16.2791 16.2791 k = 0.1871 0.3241 0.3137 ( 2548 PWs) bands (ev): -30.3027 -30.3027 -30.2907 -30.2907 -11.7727 -11.7727 -11.5510 -11.5510 -10.6228 -10.6228 -10.2865 -10.2865 -9.9394 -9.9394 -9.9202 -9.9202 -5.8669 -5.8669 -5.6920 -5.6920 -5.2590 -5.2590 6.4868 6.4868 6.6372 6.6372 6.7746 6.7746 7.0989 7.0989 7.4014 7.4014 8.0868 8.0868 8.9929 8.9929 9.3318 9.3318 9.3562 9.3562 14.7931 14.7931 15.1729 15.1729 16.0899 16.0899 16.2517 16.2517 k = 0.1813 0.3140 0.3137 ( 2548 PWs) bands (ev): -30.3044 -30.3044 -30.2920 -30.2920 -11.7578 -11.7578 -11.5417 -11.5417 -10.6041 -10.6041 -10.2812 -10.2812 -9.9317 -9.9317 -9.9185 -9.9185 -5.8878 -5.8878 -5.7167 -5.7167 -5.2674 -5.2674 6.4903 6.4903 6.6726 6.6726 6.7471 6.7471 7.0734 7.0734 7.3746 7.3746 8.0441 8.0441 9.0041 9.0041 9.3386 9.3386 9.3729 9.3729 14.8319 14.8319 15.1602 15.1602 16.0594 16.0594 16.2256 16.2256 k = 0.1754 0.3039 0.3137 ( 2548 PWs) bands (ev): -30.3061 -30.3061 -30.2933 -30.2933 -11.7428 -11.7428 -11.5317 -11.5317 -10.5856 -10.5856 -10.2749 -10.2749 -9.9242 -9.9242 -9.9167 -9.9167 -5.9099 -5.9099 -5.7423 -5.7423 -5.2749 -5.2749 6.4945 6.4945 6.7067 6.7067 6.7209 6.7209 7.0471 7.0471 7.3503 7.3503 8.0011 8.0011 9.0162 9.0162 9.3449 9.3449 9.3873 9.3873 14.8675 14.8675 15.1472 15.1472 16.0290 16.0290 16.2008 16.2008 k = 0.1696 0.2937 0.3137 ( 2552 PWs) bands (ev): -30.3079 -30.3079 -30.2946 -30.2946 -11.7277 -11.7277 -11.5211 -11.5211 -10.5673 -10.5673 -10.2674 -10.2674 -9.9176 -9.9176 -9.9143 -9.9143 -5.9333 -5.9333 -5.7688 -5.7688 -5.2814 -5.2814 6.4996 6.4996 6.6961 6.6961 6.7385 6.7385 7.0200 7.0200 7.3294 7.3294 7.9579 7.9579 9.0292 9.0292 9.3512 9.3512 9.3988 9.3988 14.8996 14.8996 15.1341 15.1341 15.9989 15.9989 16.1775 16.1775 k = 0.1637 0.2836 0.3137 ( 2552 PWs) bands (ev): -30.3096 -30.3096 -30.2960 -30.2960 -11.7127 -11.7127 -11.5100 -11.5100 -10.5491 -10.5491 -10.2589 -10.2589 -9.9143 -9.9143 -9.9086 -9.9086 -5.9582 -5.9582 -5.7961 -5.7961 -5.2867 -5.2867 6.5056 6.5056 6.6727 6.6727 6.7662 6.7662 6.9924 6.9924 7.3136 7.3136 7.9149 7.9149 9.0430 9.0430 9.3576 9.3576 9.4070 9.4070 14.9283 14.9283 15.1213 15.1213 15.9690 15.9690 16.1558 16.1558 k = 0.1579 0.2735 0.3137 ( 2552 PWs) bands (ev): -30.3114 -30.3114 -30.2973 -30.2973 -11.6978 -11.6978 -11.4985 -11.4985 -10.5312 -10.5312 -10.2493 -10.2493 -9.9124 -9.9124 -9.9018 -9.9018 -5.9845 -5.9845 -5.8241 -5.8241 -5.2909 -5.2909 6.5123 6.5123 6.6509 6.6509 6.7884 6.7884 6.9643 6.9643 7.3041 7.3041 7.8723 7.8723 9.0577 9.0577 9.3640 9.3640 9.4120 9.4120 14.9535 14.9535 15.1088 15.1088 15.9395 15.9395 16.1358 16.1358 k = 0.1520 0.2634 0.3137 ( 2552 PWs) bands (ev): -30.3132 -30.3132 -30.2987 -30.2987 -11.6830 -11.6830 -11.4866 -11.4866 -10.5136 -10.5136 -10.2386 -10.2386 -9.9106 -9.9106 -9.8948 -9.8948 -6.0123 -6.0123 -5.8528 -5.8528 -5.2938 -5.2938 6.5196 6.5196 6.6308 6.6308 6.8033 6.8033 6.9362 6.9362 7.3025 7.3025 7.8304 7.8304 9.0731 9.0731 9.3705 9.3705 9.4136 9.4136 14.9754 14.9754 15.0970 15.0970 15.9103 15.9103 16.1175 16.1175 k = 0.1462 0.2532 0.3137 ( 2552 PWs) bands (ev): -30.3149 -30.3149 -30.3001 -30.3001 -11.6684 -11.6684 -11.4746 -11.4746 -10.4961 -10.4961 -10.2268 -10.2268 -9.9088 -9.9088 -9.8880 -9.8880 -6.0415 -6.0415 -5.8821 -5.8821 -5.2954 -5.2954 6.5272 6.5272 6.6128 6.6128 6.8100 6.8100 6.9081 6.9081 7.3093 7.3093 7.7900 7.7900 9.0893 9.0893 9.3769 9.3769 9.4118 9.4118 14.9942 14.9942 15.0858 15.0858 15.8816 15.8816 16.1010 16.1010 k = 0.1404 0.2431 0.3137 ( 2552 PWs) bands (ev): -30.3167 -30.3167 -30.3015 -30.3015 -11.6540 -11.6540 -11.4623 -11.4623 -10.4789 -10.4789 -10.2140 -10.2140 -9.9071 -9.9071 -9.8812 -9.8812 -6.0721 -6.0721 -5.9117 -5.9117 -5.2958 -5.2958 6.5338 6.5338 6.5977 6.5977 6.8084 6.8084 6.8804 6.8804 7.3240 7.3240 7.7517 7.7517 9.1060 9.1060 9.3831 9.3831 9.4067 9.4067 15.0102 15.0102 15.0755 15.0755 15.8534 15.8534 16.0863 16.0863 k = 0.1345 0.2330 0.3137 ( 2552 PWs) bands (ev): -30.3184 -30.3184 -30.3028 -30.3028 -11.6399 -11.6399 -11.4501 -11.4501 -10.4620 -10.4620 -10.2003 -10.2003 -9.9052 -9.9052 -9.8745 -9.8745 -6.1040 -6.1040 -5.9417 -5.9417 -5.2950 -5.2950 6.5370 6.5370 6.5880 6.5880 6.7993 6.7993 6.8535 6.8535 7.3446 7.3446 7.7167 7.7167 9.1233 9.1233 9.3883 9.3883 9.3990 9.3990 15.0238 15.0238 15.0661 15.0661 15.8257 15.8257 16.0735 16.0735 k = 0.1287 0.2228 0.3137 ( 2556 PWs) bands (ev): -30.3201 -30.3201 -30.3042 -30.3042 -11.6262 -11.6262 -11.4380 -11.4380 -10.4452 -10.4452 -10.1857 -10.1857 -9.9033 -9.9033 -9.8678 -9.8678 -6.1371 -6.1371 -5.9717 -5.9717 -5.2932 -5.2932 6.5335 6.5335 6.5865 6.5865 6.7842 6.7842 6.8278 6.8278 7.3677 7.3677 7.6871 7.6871 9.1411 9.1411 9.3833 9.3833 9.3980 9.3980 15.0352 15.0352 15.0581 15.0581 15.7984 15.7984 16.0626 16.0626 k = 0.1228 0.2127 0.3137 ( 2552 PWs) bands (ev): -30.3218 -30.3218 -30.3056 -30.3056 -11.6128 -11.6128 -11.4261 -11.4261 -10.4286 -10.4286 -10.1704 -10.1704 -9.9012 -9.9012 -9.8612 -9.8612 -6.1714 -6.1714 -6.0017 -6.0017 -5.2903 -5.2903 6.5244 6.5244 6.5914 6.5914 6.7648 6.7648 6.8039 6.8039 7.3886 7.3886 7.6661 7.6661 9.1591 9.1591 9.3683 9.3683 9.4033 9.4033 15.0434 15.0434 15.0528 15.0528 15.7717 15.7717 16.0536 16.0536 k = 0.1170 0.2026 0.3137 ( 2560 PWs) bands (ev): -30.3235 -30.3235 -30.3069 -30.3069 -11.5999 -11.5999 -11.4144 -11.4144 -10.4123 -10.4123 -10.1545 -10.1545 -9.8990 -9.8990 -9.8545 -9.8545 -6.2065 -6.2065 -6.0316 -6.0316 -5.2866 -5.2866 6.5129 6.5129 6.5983 6.5983 6.7427 6.7427 6.7830 6.7830 7.4014 7.4014 7.6585 7.6585 9.1773 9.1773 9.3497 9.3497 9.4090 9.4090 15.0419 15.0419 15.0572 15.0572 15.7455 15.7455 16.0465 16.0465 k = 0.1111 0.1925 0.3137 ( 2564 PWs) bands (ev): -30.3251 -30.3251 -30.3082 -30.3082 -11.5874 -11.5874 -11.4032 -11.4032 -10.3962 -10.3962 -10.1383 -10.1383 -9.8966 -9.8966 -9.8479 -9.8479 -6.2423 -6.2423 -6.0612 -6.0612 -5.2821 -5.2821 6.5009 6.5009 6.6035 6.6035 6.7188 6.7188 6.7670 6.7670 7.4016 7.4016 7.6677 7.6677 9.1953 9.1953 9.3280 9.3280 9.4145 9.4145 15.0372 15.0372 15.0652 15.0652 15.7198 15.7198 16.0412 16.0412 k = 0.1053 0.1823 0.3137 ( 2552 PWs) bands (ev): -30.3267 -30.3267 -30.3095 -30.3095 -11.5753 -11.5753 -11.3924 -11.3924 -10.3802 -10.3802 -10.1218 -10.1218 -9.8939 -9.8939 -9.8412 -9.8412 -6.2786 -6.2786 -6.0904 -6.0904 -5.2770 -5.2770 6.4891 6.4891 6.6039 6.6039 6.6938 6.6938 6.7586 6.7586 7.3894 7.3894 7.6924 7.6924 9.2127 9.2127 9.3040 9.3040 9.4197 9.4197 15.0333 15.0333 15.0734 15.0734 15.6946 15.6946 16.0378 16.0378 k = 0.0994 0.1722 0.3137 ( 2550 PWs) bands (ev): -30.3282 -30.3282 -30.3108 -30.3108 -11.5637 -11.5637 -11.3822 -11.3822 -10.3646 -10.3646 -10.1053 -10.1053 -9.8908 -9.8908 -9.8345 -9.8345 -6.3151 -6.3151 -6.1190 -6.1190 -5.2713 -5.2713 6.4777 6.4777 6.5978 6.5978 6.6681 6.6681 6.7593 6.7593 7.3690 7.3690 7.7280 7.7280 9.2271 9.2271 9.2801 9.2801 9.4245 9.4245 15.0303 15.0303 15.0820 15.0820 15.6699 15.6699 16.0359 16.0359 k = 0.0936 0.1621 0.3137 ( 2550 PWs) bands (ev): -30.3297 -30.3297 -30.3120 -30.3120 -11.5527 -11.5527 -11.3725 -11.3725 -10.3493 -10.3493 -10.0891 -10.0891 -9.8873 -9.8873 -9.8278 -9.8278 -6.3517 -6.3517 -6.1471 -6.1471 -5.2652 -5.2652 6.4670 6.4670 6.5857 6.5857 6.6424 6.6424 6.7687 6.7687 7.3440 7.3440 7.7701 7.7701 9.2269 9.2269 9.2682 9.2682 9.4289 9.4289 15.0283 15.0283 15.0912 15.0912 15.6458 15.6458 16.0355 16.0355 k = 0.0877 0.1519 0.3137 ( 2550 PWs) bands (ev): -30.3311 -30.3311 -30.3131 -30.3131 -11.5421 -11.5421 -11.3635 -11.3635 -10.3344 -10.3344 -10.0734 -10.0734 -9.8833 -9.8833 -9.8210 -9.8210 -6.3879 -6.3879 -6.1743 -6.1743 -5.2588 -5.2588 6.4569 6.4569 6.5696 6.5696 6.6169 6.6169 6.7844 6.7844 7.3171 7.3171 7.8158 7.8158 9.2026 9.2026 9.2779 9.2779 9.4329 9.4329 15.0274 15.0274 15.1014 15.1014 15.6222 15.6222 16.0364 16.0364 k = 0.0819 0.1418 0.3137 ( 2550 PWs) bands (ev): -30.3325 -30.3325 -30.3143 -30.3143 -11.5321 -11.5321 -11.3551 -11.3551 -10.3199 -10.3199 -10.0584 -10.0584 -9.8786 -9.8786 -9.8143 -9.8143 -6.4236 -6.4236 -6.2007 -6.2007 -5.2523 -5.2523 6.4474 6.4474 6.5514 6.5514 6.5920 6.5920 6.8044 6.8044 7.2898 7.2898 7.8631 7.8631 9.1703 9.1703 9.2932 9.2932 9.4364 9.4364 15.0273 15.0273 15.1127 15.1127 15.5992 15.5992 16.0381 16.0381 k = 0.0760 0.1317 0.3137 ( 2550 PWs) bands (ev): -30.3337 -30.3337 -30.3153 -30.3153 -11.5227 -11.5227 -11.3474 -11.3474 -10.3059 -10.3059 -10.0444 -10.0444 -9.8733 -9.8733 -9.8076 -9.8076 -6.4584 -6.4584 -6.2260 -6.2260 -5.2457 -5.2457 6.4386 6.4386 6.5325 6.5325 6.5681 6.5681 6.8273 6.8273 7.2629 7.2629 7.9107 7.9107 9.1353 9.1353 9.3093 9.3093 9.4395 9.4395 15.0281 15.0281 15.1255 15.1255 15.5768 15.5768 16.0403 16.0403 k = 0.0702 0.1215 0.3137 ( 2546 PWs) bands (ev): -30.3349 -30.3349 -30.3163 -30.3163 -11.5139 -11.5139 -11.3404 -11.3404 -10.2926 -10.2926 -10.0316 -10.0316 -9.8671 -9.8671 -9.8010 -9.8010 -6.4921 -6.4921 -6.2502 -6.2502 -5.2391 -5.2391 6.4304 6.4304 6.5137 6.5137 6.5453 6.5453 6.8520 6.8520 7.2370 7.2370 7.9577 7.9577 9.0990 9.0990 9.3250 9.3250 9.4421 9.4421 15.0295 15.0295 15.1399 15.1399 15.5551 15.5551 16.0421 16.0421 k = 0.0643 0.1114 0.3137 ( 2546 PWs) bands (ev): -30.3361 -30.3361 -30.3172 -30.3172 -11.5057 -11.5057 -11.3340 -11.3340 -10.2800 -10.2800 -10.0202 -10.0202 -9.8603 -9.8603 -9.7945 -9.7945 -6.5245 -6.5245 -6.2731 -6.2731 -5.2327 -5.2327 6.4227 6.4227 6.4955 6.4955 6.5239 6.5239 6.8778 6.8778 7.2125 7.2125 8.0035 8.0035 9.0621 9.0621 9.3399 9.3399 9.4442 9.4442 15.0316 15.0316 15.1561 15.1561 15.5343 15.5343 16.0416 16.0416 k = 0.0585 0.1013 0.3137 ( 2550 PWs) bands (ev): -30.3371 -30.3371 -30.3181 -30.3181 -11.4981 -11.4981 -11.3284 -11.3284 -10.2682 -10.2682 -10.0102 -10.0102 -9.8527 -9.8527 -9.7881 -9.7881 -6.5551 -6.5551 -6.2946 -6.2946 -5.2265 -5.2265 6.4157 6.4157 6.4782 6.4782 6.5039 6.5039 6.9040 6.9040 7.1896 7.1896 8.0475 8.0475 9.0252 9.0252 9.3539 9.3539 9.4461 9.4461 15.0342 15.0342 15.1743 15.1743 15.5143 15.5143 16.0351 16.0351 k = 0.0526 0.0912 0.3137 ( 2554 PWs) bands (ev): -30.3381 -30.3381 -30.3189 -30.3189 -11.4912 -11.4912 -11.3234 -11.3234 -10.2573 -10.2573 -10.0018 -10.0018 -9.8446 -9.8446 -9.7821 -9.7821 -6.5839 -6.5839 -6.3145 -6.3145 -5.2206 -5.2206 6.4091 6.4091 6.4623 6.4623 6.4857 6.4857 6.9302 6.9302 7.1686 7.1686 8.0890 8.0890 8.9889 8.9889 9.3666 9.3666 9.4477 9.4477 15.0370 15.0370 15.1945 15.1945 15.4955 15.4955 16.0147 16.0147 k = 0.0468 0.0810 0.3137 ( 2558 PWs) bands (ev): -30.3389 -30.3389 -30.3196 -30.3196 -11.4850 -11.4850 -11.3190 -11.3190 -10.2473 -10.2473 -9.9948 -9.9948 -9.8362 -9.8362 -9.7763 -9.7763 -6.6104 -6.6104 -6.3328 -6.3328 -5.2152 -5.2152 6.4029 6.4029 6.4479 6.4479 6.4692 6.4692 6.9556 6.9556 7.1495 7.1495 8.1276 8.1276 8.9539 8.9539 9.3779 9.3779 9.4492 9.4492 15.0401 15.0401 15.2167 15.2167 15.4780 15.4780 15.9757 15.9757 k = 0.0409 0.0709 0.3137 ( 2562 PWs) bands (ev): -30.3397 -30.3397 -30.3203 -30.3203 -11.4794 -11.4794 -11.3152 -11.3152 -10.2384 -10.2384 -9.9890 -9.9890 -9.8279 -9.8279 -9.7710 -9.7710 -6.6345 -6.6345 -6.3493 -6.3493 -5.2102 -5.2102 6.3971 6.3971 6.4352 6.4352 6.4545 6.4545 6.9799 6.9799 7.1325 7.1325 8.1629 8.1629 8.9208 8.9208 9.3876 9.3876 9.4507 9.4507 15.0431 15.0431 15.2409 15.2409 15.4620 15.4620 15.9255 15.9255 k = 0.0351 0.0608 0.3137 ( 2566 PWs) bands (ev): -30.3404 -30.3404 -30.3208 -30.3208 -11.4746 -11.4746 -11.3120 -11.3120 -10.2306 -10.2306 -9.9844 -9.9844 -9.8199 -9.8199 -9.7662 -9.7662 -6.6559 -6.6559 -6.3638 -6.3638 -5.2057 -5.2057 6.3915 6.3915 6.4245 6.4245 6.4417 6.4417 7.0024 7.0024 7.1177 7.1177 8.1945 8.1945 8.8904 8.8904 9.3956 9.3956 9.4524 9.4524 15.0460 15.0460 15.2668 15.2668 15.4476 15.4476 15.8721 15.8721 k = 0.0292 0.0506 0.3137 ( 2566 PWs) bands (ev): -30.3409 -30.3409 -30.3213 -30.3213 -11.4704 -11.4704 -11.3094 -11.3094 -10.2238 -10.2238 -9.9808 -9.9808 -9.8125 -9.8125 -9.7620 -9.7620 -6.6744 -6.6744 -6.3763 -6.3763 -5.2018 -5.2018 6.3863 6.3863 6.4158 6.4158 6.4309 6.4309 7.0225 7.0225 7.1053 7.1053 8.2220 8.2220 8.8632 8.8632 9.4018 9.4018 9.4543 9.4543 15.0487 15.0487 15.2942 15.2942 15.4353 15.4353 15.8194 15.8194 k = 0.0234 0.0405 0.3137 ( 2562 PWs) bands (ev): -30.3414 -30.3414 -30.3217 -30.3217 -11.4670 -11.4670 -11.3073 -11.3073 -10.2183 -10.2183 -9.9781 -9.9781 -9.8060 -9.8060 -9.7584 -9.7584 -6.6898 -6.6898 -6.3866 -6.3866 -5.1986 -5.1986 6.3814 6.3814 6.4092 6.4092 6.4220 6.4220 7.0395 7.0395 7.0954 7.0954 8.2450 8.2450 8.8398 8.8398 9.4063 9.4063 9.4563 9.4563 15.0511 15.0511 15.3221 15.3221 15.4253 15.4253 15.7695 15.7695 k = 0.0175 0.0304 0.3137 ( 2566 PWs) bands (ev): -30.3418 -30.3418 -30.3220 -30.3220 -11.4643 -11.4643 -11.3056 -11.3056 -10.2140 -10.2140 -9.9761 -9.9761 -9.8007 -9.8007 -9.7556 -9.7556 -6.7019 -6.7019 -6.3948 -6.3948 -5.1960 -5.1960 6.3771 6.3771 6.4044 6.4044 6.4150 6.4150 7.0525 7.0525 7.0884 7.0884 8.2632 8.2632 8.8210 8.8210 9.4093 9.4093 9.4582 9.4582 15.0530 15.0530 15.3492 15.3492 15.4180 15.4180 15.7242 15.7242 k = 0.0117 0.0203 0.3137 ( 2564 PWs) bands (ev): -30.3421 -30.3421 -30.3222 -30.3222 -11.4624 -11.4624 -11.3045 -11.3045 -10.2108 -10.2108 -9.9747 -9.9747 -9.7967 -9.7967 -9.7535 -9.7535 -6.7107 -6.7107 -6.4006 -6.4006 -5.1942 -5.1942 6.3738 6.3738 6.4011 6.4011 6.4101 6.4101 7.0607 7.0607 7.0849 7.0849 8.2764 8.2764 8.8071 8.8071 9.4112 9.4112 9.4599 9.4599 15.0544 15.0544 15.3722 15.3722 15.4145 15.4145 15.6862 15.6862 k = 0.0058 0.0101 0.3137 ( 2560 PWs) bands (ev): -30.3422 -30.3422 -30.3224 -30.3224 -11.4613 -11.4613 -11.3038 -11.3038 -10.2090 -10.2090 -9.9739 -9.9739 -9.7943 -9.7943 -9.7523 -9.7523 -6.7160 -6.7160 -6.4042 -6.4042 -5.1931 -5.1931 6.3717 6.3717 6.3993 6.3993 6.4071 6.4071 7.0640 7.0640 7.0846 7.0846 8.2844 8.2844 8.7986 8.7986 9.4123 9.4123 9.4610 9.4610 15.0552 15.0552 15.3857 15.3857 15.4164 15.4164 15.6595 15.6595 k = 0.0000 0.0000 0.3137 ( 2556 PWs) bands (ev): -30.3423 -30.3423 -30.3224 -30.3224 -11.4609 -11.4609 -11.3036 -11.3036 -10.2083 -10.2083 -9.9736 -9.9736 -9.7935 -9.7935 -9.7518 -9.7518 -6.7178 -6.7178 -6.4053 -6.4053 -5.1927 -5.1927 6.3709 6.3709 6.3987 6.3987 6.4061 6.4061 7.0647 7.0647 7.0850 7.0850 8.2871 8.2871 8.7958 8.7958 9.4126 9.4126 9.4613 9.4613 15.0555 15.0555 15.3892 15.3892 15.4191 15.4191 15.6497 15.6497 k = 0.5000 0.2887 0.3137 ( 2528 PWs) bands (ev): -30.2872 -30.2872 -30.2802 -30.2802 -11.8716 -11.8716 -11.7779 -11.7779 -10.5566 -10.5566 -10.4893 -10.4893 -9.9187 -9.9187 -9.8893 -9.8893 -5.9485 -5.9485 -5.5905 -5.5905 -4.9140 -4.9140 5.7224 5.7224 6.9772 6.9772 7.4412 7.4412 7.4472 7.4472 7.6980 7.6980 8.3951 8.3951 8.6024 8.6024 8.9924 8.9924 9.4045 9.4045 14.7005 14.7005 15.4526 15.4526 16.0982 16.0982 16.3537 16.3537 k = 0.5000 0.2887 0.3020 ( 2528 PWs) bands (ev): -30.2872 -30.2872 -30.2801 -30.2801 -11.8714 -11.8714 -11.7778 -11.7778 -10.5568 -10.5568 -10.4892 -10.4892 -9.9199 -9.9199 -9.8884 -9.8884 -5.9483 -5.9483 -5.5905 -5.5905 -4.9143 -4.9143 5.7239 5.7239 6.9774 6.9774 7.4422 7.4422 7.4473 7.4473 7.6966 7.6966 8.3950 8.3950 8.6026 8.6026 8.9936 8.9936 9.4029 9.4029 14.6985 14.6985 15.4530 15.4530 16.0948 16.0948 16.3519 16.3519 k = 0.5000 0.2887 0.2904 ( 2528 PWs) bands (ev): -30.2874 -30.2874 -30.2799 -30.2799 -11.8709 -11.8709 -11.7776 -11.7776 -10.5571 -10.5571 -10.4890 -10.4890 -9.9230 -9.9230 -9.8862 -9.8862 -5.9476 -5.9476 -5.5904 -5.5904 -4.9152 -4.9152 5.7283 5.7283 6.9781 6.9781 7.4441 7.4441 7.4485 7.4485 7.6926 7.6926 8.3948 8.3948 8.6032 8.6032 8.9970 8.9970 9.3980 9.3980 14.6925 14.6925 15.4541 15.4541 16.0847 16.0847 16.3465 16.3465 k = 0.5000 0.2887 0.2788 ( 2532 PWs) bands (ev): -30.2877 -30.2877 -30.2796 -30.2796 -11.8701 -11.8701 -11.7773 -11.7773 -10.5578 -10.5578 -10.4887 -10.4887 -9.9274 -9.9274 -9.8832 -9.8832 -5.9466 -5.9466 -5.5901 -5.5901 -4.9167 -4.9167 5.7357 5.7357 6.9793 6.9793 7.4442 7.4442 7.4533 7.4533 7.6861 7.6861 8.3945 8.3945 8.6041 8.6041 9.0028 9.0028 9.3898 9.3898 14.6829 14.6829 15.4557 15.4557 16.0690 16.0690 16.3376 16.3376 k = 0.5000 0.2887 0.2672 ( 2536 PWs) bands (ev): -30.2881 -30.2881 -30.2793 -30.2793 -11.8690 -11.8690 -11.7769 -11.7769 -10.5586 -10.5586 -10.4883 -10.4883 -9.9326 -9.9326 -9.8800 -9.8800 -5.9452 -5.9452 -5.5898 -5.5898 -4.9187 -4.9187 5.7459 5.7459 6.9808 6.9808 7.4433 7.4433 7.4609 7.4609 7.6777 7.6777 8.3940 8.3940 8.6053 8.6053 9.0106 9.0106 9.3784 9.3784 14.6697 14.6697 15.4577 15.4577 16.0488 16.0488 16.3257 16.3257 k = 0.5000 0.2887 0.2556 ( 2536 PWs) bands (ev): -30.2885 -30.2885 -30.2789 -30.2789 -11.8675 -11.8675 -11.7763 -11.7763 -10.5596 -10.5596 -10.4877 -10.4877 -9.9384 -9.9384 -9.8768 -9.8768 -5.9434 -5.9434 -5.5894 -5.5894 -4.9213 -4.9213 5.7590 5.7590 6.9827 6.9827 7.4418 7.4418 7.4701 7.4701 7.6679 7.6679 8.3935 8.3935 8.6069 8.6069 9.0203 9.0203 9.3638 9.3638 14.6533 14.6533 15.4598 15.4598 16.0253 16.0253 16.3110 16.3110 k = 0.5000 0.2887 0.2440 ( 2544 PWs) bands (ev): -30.2889 -30.2889 -30.2784 -30.2784 -11.8657 -11.8657 -11.7757 -11.7757 -10.5608 -10.5608 -10.4872 -10.4872 -9.9445 -9.9445 -9.8738 -9.8738 -5.9412 -5.9412 -5.5889 -5.5889 -4.9244 -4.9244 5.7748 5.7748 6.9849 6.9849 7.4399 7.4399 7.4799 7.4799 7.6581 7.6581 8.3928 8.3928 8.6088 8.6088 9.0317 9.0317 9.3461 9.3461 14.6341 14.6341 15.4618 15.4618 15.9996 15.9996 16.2937 16.2937 k = 0.5000 0.2887 0.2323 ( 2544 PWs) bands (ev): -30.2894 -30.2894 -30.2779 -30.2779 -11.8636 -11.8636 -11.7750 -11.7750 -10.5621 -10.5621 -10.4866 -10.4866 -9.9508 -9.9508 -9.8709 -9.8709 -5.9387 -5.9387 -5.5884 -5.5884 -4.9280 -4.9280 5.7933 5.7933 6.9871 6.9871 7.4377 7.4377 7.4886 7.4886 7.6499 7.6499 8.3920 8.3920 8.6110 8.6110 9.0445 9.0445 9.3253 9.3253 14.6125 14.6125 15.4635 15.4635 15.9725 15.9725 16.2742 16.2742 k = 0.5000 0.2887 0.2207 ( 2560 PWs) bands (ev): -30.2899 -30.2899 -30.2775 -30.2775 -11.8613 -11.8613 -11.7743 -11.7743 -10.5636 -10.5636 -10.4860 -10.4860 -9.9573 -9.9573 -9.8684 -9.8684 -5.9359 -5.9359 -5.5878 -5.5878 -4.9320 -4.9320 5.8144 5.8144 6.9894 6.9894 7.4351 7.4351 7.4939 7.4939 7.6461 7.6461 8.3911 8.3911 8.6134 8.6134 9.0584 9.0584 9.3016 9.3016 14.5888 14.5888 15.4646 15.4646 15.9447 15.9447 16.2527 16.2527 k = 0.5000 0.2887 0.2091 ( 2556 PWs) bands (ev): -30.2904 -30.2904 -30.2770 -30.2770 -11.8586 -11.8586 -11.7736 -11.7736 -10.5650 -10.5650 -10.4854 -10.4854 -9.9637 -9.9637 -9.8662 -9.8662 -5.9328 -5.9328 -5.5871 -5.5871 -4.9364 -4.9364 5.8379 5.8379 6.9915 6.9915 7.4320 7.4320 7.4932 7.4932 7.6496 7.6496 8.3902 8.3902 8.6160 8.6160 9.0732 9.0732 9.2751 9.2751 14.5636 14.5636 15.4652 15.4652 15.9168 15.9168 16.2296 16.2296 k = 0.5000 0.2887 0.1975 ( 2546 PWs) bands (ev): -30.2909 -30.2909 -30.2765 -30.2765 -11.8557 -11.8557 -11.7729 -11.7729 -10.5665 -10.5665 -10.4849 -10.4849 -9.9702 -9.9702 -9.8642 -9.8642 -5.9294 -5.9294 -5.5864 -5.5864 -4.9412 -4.9412 5.8638 5.8638 6.9933 6.9933 7.4284 7.4284 7.4857 7.4857 7.6618 7.6618 8.3892 8.3892 8.6188 8.6188 9.0884 9.0884 9.2460 9.2460 14.5371 14.5371 15.4652 15.4652 15.8893 15.8893 16.2050 16.2050 k = 0.5000 0.2887 0.1859 ( 2546 PWs) bands (ev): -30.2914 -30.2914 -30.2760 -30.2760 -11.8525 -11.8525 -11.7723 -11.7723 -10.5680 -10.5680 -10.4844 -10.4844 -9.9766 -9.9766 -9.8626 -9.8626 -5.9258 -5.9258 -5.5857 -5.5857 -4.9462 -4.9462 5.8917 5.8917 6.9945 6.9945 7.4238 7.4238 7.4728 7.4728 7.6818 7.6818 8.3881 8.3881 8.6217 8.6217 9.1033 9.1033 9.2148 9.2148 14.5096 14.5096 15.4646 15.4646 15.8624 15.8624 16.1793 16.1793 k = 0.5000 0.2887 0.1743 ( 2546 PWs) bands (ev): -30.2919 -30.2919 -30.2755 -30.2755 -11.8491 -11.8491 -11.7717 -11.7717 -10.5695 -10.5695 -10.4840 -10.4840 -9.9829 -9.9829 -9.8613 -9.8613 -5.9221 -5.9221 -5.5849 -5.5849 -4.9514 -4.9514 5.9217 5.9217 6.9949 6.9949 7.4172 7.4172 7.4576 7.4576 7.7080 7.7080 8.3870 8.3870 8.6247 8.6247 9.1159 9.1159 9.1835 9.1835 14.4817 14.4817 15.4636 15.4636 15.8363 15.8363 16.1526 16.1526 k = 0.5000 0.2887 0.1626 ( 2546 PWs) bands (ev): -30.2923 -30.2923 -30.2751 -30.2751 -11.8455 -11.8455 -11.7713 -11.7713 -10.5709 -10.5709 -10.4836 -10.4836 -9.9890 -9.9890 -9.8602 -9.8602 -5.9182 -5.9182 -5.5841 -5.5841 -4.9569 -4.9569 5.9534 5.9534 6.9941 6.9941 7.4066 7.4066 7.4439 7.4439 7.7390 7.7390 8.3858 8.3858 8.6278 8.6278 9.1161 9.1161 9.1622 9.1622 14.4535 14.4535 15.4624 15.4624 15.8114 15.8114 16.1251 16.1251 k = 0.5000 0.2887 0.1510 ( 2546 PWs) bands (ev): -30.2927 -30.2927 -30.2746 -30.2746 -11.8417 -11.8417 -11.7710 -11.7710 -10.5723 -10.5723 -10.4833 -10.4833 -9.9949 -9.9949 -9.8594 -9.8594 -5.9143 -5.9143 -5.5833 -5.5833 -4.9623 -4.9623 5.9867 5.9867 6.9920 6.9920 7.3907 7.3907 7.4344 7.4344 7.7738 7.7738 8.3847 8.3847 8.6308 8.6308 9.0889 9.0889 9.1655 9.1655 14.4255 14.4255 15.4613 15.4613 15.7877 15.7877 16.0969 16.0969 k = 0.5000 0.2887 0.1394 ( 2546 PWs) bands (ev): -30.2932 -30.2932 -30.2742 -30.2742 -11.8378 -11.8378 -11.7708 -11.7708 -10.5736 -10.5736 -10.4831 -10.4831 -10.0006 -10.0006 -9.8588 -9.8588 -5.9103 -5.9103 -5.5825 -5.5825 -4.9678 -4.9678 6.0213 6.0213 6.9879 6.9879 7.3715 7.3715 7.4282 7.4282 7.8117 7.8117 8.3836 8.3836 8.6339 8.6339 9.0498 9.0498 9.1781 9.1781 14.3979 14.3979 15.4605 15.4605 15.7655 15.7655 16.0680 16.0680 k = 0.5000 0.2887 0.1278 ( 2548 PWs) bands (ev): -30.2936 -30.2936 -30.2738 -30.2738 -11.8338 -11.8338 -11.7709 -11.7709 -10.5748 -10.5748 -10.4830 -10.4830 -10.0059 -10.0059 -9.8584 -9.8584 -5.9063 -5.9063 -5.5817 -5.5817 -4.9733 -4.9733 6.0569 6.0569 6.9816 6.9816 7.3514 7.3514 7.4237 7.4237 7.8523 7.8523 8.3824 8.3824 8.6368 8.6368 9.0067 9.0067 9.1922 9.1922 14.3712 14.3712 15.4604 15.4604 15.7447 15.7447 16.0386 16.0386 k = 0.5000 0.2887 0.1162 ( 2546 PWs) bands (ev): -30.2939 -30.2939 -30.2735 -30.2735 -11.8296 -11.8296 -11.7712 -11.7712 -10.5759 -10.5759 -10.4829 -10.4829 -10.0109 -10.0109 -9.8582 -9.8582 -5.9025 -5.9025 -5.5810 -5.5810 -4.9786 -4.9786 6.0933 6.0933 6.9728 6.9728 7.3321 7.3321 7.4202 7.4202 7.8952 7.8952 8.3814 8.3814 8.6396 8.6396 8.9610 8.9610 9.2061 9.2061 14.3454 14.3454 15.4612 15.4612 15.7255 15.7255 16.0086 16.0086 k = 0.5000 0.2887 0.1046 ( 2546 PWs) bands (ev): -30.2942 -30.2942 -30.2732 -30.2732 -11.8254 -11.8254 -11.7718 -11.7718 -10.5769 -10.5769 -10.4829 -10.4829 -10.0156 -10.0156 -9.8581 -9.8581 -5.8987 -5.8987 -5.5803 -5.5803 -4.9836 -4.9836 6.1301 6.1301 6.9612 6.9612 7.3144 7.3144 7.4171 7.4171 7.9402 7.9402 8.3804 8.3804 8.6423 8.6423 8.9134 8.9134 9.2194 9.2194 14.3211 14.3211 15.4632 15.4632 15.7079 15.7079 15.9780 15.9780 k = 0.5000 0.2887 0.0929 ( 2544 PWs) bands (ev): -30.2945 -30.2945 -30.2729 -30.2729 -11.8212 -11.8212 -11.7727 -11.7727 -10.5777 -10.5777 -10.4830 -10.4830 -10.0198 -10.0198 -9.8581 -9.8581 -5.8952 -5.8952 -5.5796 -5.5796 -4.9884 -4.9884 6.1668 6.1668 6.9469 6.9469 7.2990 7.2990 7.4145 7.4145 7.9869 7.9869 8.3795 8.3795 8.6448 8.6448 8.8642 8.8642 9.2317 9.2317 14.2984 14.2984 15.4666 15.4666 15.6920 15.6920 15.9469 15.9469 k = 0.5000 0.2887 0.0813 ( 2544 PWs) bands (ev): -30.2948 -30.2948 -30.2726 -30.2726 -11.8169 -11.8169 -11.7738 -11.7738 -10.5785 -10.5785 -10.4830 -10.4830 -10.0236 -10.0236 -9.8582 -9.8582 -5.8920 -5.8920 -5.5790 -5.5790 -4.9928 -4.9928 6.2030 6.2030 6.9300 6.9300 7.2861 7.2861 7.4122 7.4122 8.0350 8.0350 8.3787 8.3787 8.6471 8.6471 8.8137 8.8137 9.2430 9.2430 14.2777 14.2777 15.4716 15.4716 15.6779 15.6779 15.9155 15.9155 k = 0.5000 0.2887 0.0697 ( 2540 PWs) bands (ev): -30.2950 -30.2950 -30.2724 -30.2724 -11.8127 -11.8127 -11.7752 -11.7752 -10.5792 -10.5792 -10.4831 -10.4831 -10.0270 -10.0270 -9.8584 -9.8584 -5.8890 -5.8890 -5.5785 -5.5785 -4.9968 -4.9968 6.2380 6.2380 6.9111 6.9111 7.2756 7.2756 7.4103 7.4103 8.0843 8.0843 8.3780 8.3780 8.6491 8.6491 8.7624 8.7624 9.2530 9.2530 14.2592 14.2592 15.4781 15.4781 15.6654 15.6654 15.8844 15.8844 k = 0.5000 0.2887 0.0581 ( 2540 PWs) bands (ev): -30.2953 -30.2953 -30.2722 -30.2722 -11.8085 -11.8085 -11.7769 -11.7769 -10.5797 -10.5797 -10.4832 -10.4832 -10.0298 -10.0298 -9.8586 -9.8586 -5.8864 -5.8864 -5.5780 -5.5780 -5.0003 -5.0003 6.2710 6.2710 6.8913 6.8913 7.2675 7.2675 7.4086 7.4086 8.1343 8.1343 8.3775 8.3775 8.6507 8.6507 8.7106 8.7106 9.2616 9.2616 14.2430 14.2430 15.4861 15.4861 15.6548 15.6548 15.8541 15.8541 k = 0.5000 0.2887 0.0465 ( 2538 PWs) bands (ev): -30.2954 -30.2954 -30.2720 -30.2720 -11.8045 -11.8045 -11.7789 -11.7789 -10.5802 -10.5802 -10.4834 -10.4834 -10.0322 -10.0322 -9.8587 -9.8587 -5.8842 -5.8842 -5.5776 -5.5776 -5.0033 -5.0033 6.3010 6.3010 6.8716 6.8716 7.2615 7.2615 7.4072 7.4072 8.1844 8.1844 8.3773 8.3773 8.6497 8.6497 8.6611 8.6611 9.2688 9.2688 14.2295 14.2295 15.4950 15.4950 15.6460 15.6460 15.8257 15.8257 k = 0.5000 0.2887 0.0349 ( 2534 PWs) bands (ev): -30.2955 -30.2955 -30.2719 -30.2719 -11.8005 -11.8005 -11.7812 -11.7812 -10.5805 -10.5805 -10.4835 -10.4835 -10.0341 -10.0341 -9.8589 -9.8589 -5.8825 -5.8825 -5.5773 -5.5773 -5.0056 -5.0056 6.3268 6.3268 6.8535 6.8535 7.2571 7.2571 7.4062 7.4062 8.2336 8.2336 8.3775 8.3775 8.6067 8.6067 8.6543 8.6543 9.2744 9.2744 14.2188 14.2188 15.5043 15.5043 15.6389 15.6389 15.8007 15.8007 k = 0.5000 0.2887 0.0232 ( 2528 PWs) bands (ev): -30.2956 -30.2956 -30.2718 -30.2718 -11.7968 -11.7968 -11.7838 -11.7838 -10.5807 -10.5807 -10.4835 -10.4835 -10.0354 -10.0354 -9.8590 -9.8590 -5.8812 -5.8812 -5.5770 -5.5770 -5.0073 -5.0073 6.3469 6.3469 6.8388 6.8388 7.2542 7.2542 7.4054 7.4054 8.2794 8.2794 8.3786 8.3786 8.5588 8.5588 8.6549 8.6549 9.2785 9.2785 14.2111 14.2111 15.5128 15.5128 15.6336 15.6336 15.7807 15.7807 k = 0.5000 0.2887 0.0116 ( 2524 PWs) bands (ev): -30.2957 -30.2957 -30.2717 -30.2717 -11.7932 -11.7932 -11.7867 -11.7867 -10.5809 -10.5809 -10.4836 -10.4836 -10.0362 -10.0362 -9.8591 -9.8591 -5.8804 -5.8804 -5.5769 -5.5769 -5.0083 -5.0083 6.3598 6.3598 6.8290 6.8290 7.2526 7.2526 7.4049 7.4049 8.3156 8.3156 8.3818 8.3818 8.5189 8.5189 8.6553 8.6553 9.2810 9.2810 14.2064 14.2064 15.5189 15.5189 15.6304 15.6304 15.7676 15.7676 k = 0.5000 0.2887-0.0000 ( 2522 PWs) bands (ev): -30.2957 -30.2957 -30.2717 -30.2717 -11.7901 -11.7901 -11.7895 -11.7895 -10.5809 -10.5809 -10.4836 -10.4836 -10.0365 -10.0365 -9.8591 -9.8591 -5.8802 -5.8802 -5.5768 -5.5768 -5.0087 -5.0087 6.3643 6.3643 6.8256 6.8256 7.2521 7.2521 7.4048 7.4048 8.3299 8.3299 8.3851 8.3851 8.5010 8.5010 8.6555 8.6555 9.2818 9.2818 14.2049 14.2049 15.5212 15.5212 15.6292 15.6292 15.7631 15.7631 k = 0.3333 0.5774-0.0000 ( 2514 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9369 -11.9369 -11.5255 -11.5255 -10.9722 -10.9722 -10.2442 -10.2442 -10.2041 -10.2041 -9.9858 -9.9858 -5.5568 -5.5568 -5.3180 -5.3180 -5.2530 -5.2530 7.1094 7.1094 7.1107 7.1107 7.1834 7.1834 7.3386 7.3386 7.3585 7.3585 8.3170 8.3170 8.8827 8.8827 8.8895 8.8895 8.9007 8.9007 13.3677 13.3677 15.8010 15.8010 15.8256 15.8256 15.8280 15.8280 k = 0.3333 0.5774 0.0116 ( 2514 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9371 -11.9371 -11.5256 -11.5256 -10.9723 -10.9723 -10.2441 -10.2441 -10.2040 -10.2040 -9.9858 -9.9858 -5.5567 -5.5567 -5.3180 -5.3180 -5.2530 -5.2530 7.1024 7.1024 7.1029 7.1029 7.1817 7.1817 7.3457 7.3457 7.3655 7.3655 8.3174 8.3174 8.8834 8.8834 8.8904 8.8904 8.9003 8.9003 13.3690 13.3690 15.8021 15.8021 15.8284 15.8284 15.8298 15.8298 k = 0.3333 0.5774 0.0232 ( 2508 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9374 -11.9374 -11.5259 -11.5259 -10.9725 -10.9725 -10.2435 -10.2435 -10.2036 -10.2036 -9.9855 -9.9855 -5.5566 -5.5566 -5.3179 -5.3179 -5.2529 -5.2529 7.0802 7.0802 7.0841 7.0841 7.1786 7.1786 7.3643 7.3643 7.3840 7.3840 8.3186 8.3186 8.8855 8.8855 8.8931 8.8931 8.8994 8.8994 13.3729 13.3729 15.8047 15.8047 15.8356 15.8356 15.8365 15.8365 k = 0.3333 0.5774 0.0349 ( 2508 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9381 -11.9381 -11.5264 -11.5264 -10.9728 -10.9728 -10.2427 -10.2427 -10.2029 -10.2029 -9.9851 -9.9851 -5.5565 -5.5565 -5.3179 -5.3179 -5.2527 -5.2527 7.0489 7.0489 7.0557 7.0557 7.1760 7.1760 7.3896 7.3896 7.4092 7.4092 8.3204 8.3204 8.8880 8.8880 8.8975 8.8975 8.8987 8.8987 13.3793 13.3793 15.8069 15.8069 15.8465 15.8465 15.8499 15.8499 k = 0.3333 0.5774 0.0465 ( 2511 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9389 -11.9389 -11.5272 -11.5272 -10.9733 -10.9733 -10.2415 -10.2415 -10.2020 -10.2020 -9.9845 -9.9845 -5.5563 -5.5563 -5.3179 -5.3179 -5.2525 -5.2525 7.0123 7.0123 7.0210 7.0210 7.1743 7.1743 7.4180 7.4180 7.4375 7.4375 8.3231 8.3231 8.8882 8.8882 8.9010 8.9010 8.9036 8.9036 13.3882 13.3882 15.8066 15.8066 15.8631 15.8631 15.8684 15.8684 k = 0.3333 0.5774 0.0581 ( 2514 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9400 -11.9400 -11.5281 -11.5281 -10.9739 -10.9739 -10.2400 -10.2400 -10.2009 -10.2009 -9.9838 -9.9838 -5.5560 -5.5560 -5.3178 -5.3178 -5.2522 -5.2522 6.9726 6.9726 6.9826 6.9826 7.1734 7.1734 7.4473 7.4473 7.4667 7.4667 8.3265 8.3265 8.8851 8.8851 8.9072 8.9072 8.9113 8.9113 13.3997 13.3997 15.8014 15.8014 15.8848 15.8848 15.8920 15.8920 k = 0.3333 0.5774 0.0697 ( 2517 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9413 -11.9413 -11.5292 -11.5292 -10.9746 -10.9746 -10.2382 -10.2382 -10.1996 -10.1996 -9.9829 -9.9829 -5.5557 -5.5557 -5.3177 -5.3177 -5.2518 -5.2518 6.9312 6.9312 6.9421 6.9421 7.1728 7.1728 7.4763 7.4763 7.4957 7.4957 8.3306 8.3306 8.8802 8.8802 8.9158 8.9158 8.9206 8.9206 13.4137 13.4137 15.7891 15.7891 15.9096 15.9096 15.9202 15.9202 k = 0.3333 0.5774 0.0813 ( 2523 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9428 -11.9428 -11.5305 -11.5305 -10.9754 -10.9754 -10.2361 -10.2361 -10.1981 -10.1981 -9.9818 -9.9818 -5.5554 -5.5554 -5.3177 -5.3177 -5.2514 -5.2514 6.8889 6.8889 6.9004 6.9004 7.1725 7.1725 7.5043 7.5043 7.5238 7.5238 8.3354 8.3354 8.8742 8.8742 8.9260 8.9260 8.9312 8.9312 13.4300 13.4300 15.7681 15.7681 15.9288 15.9288 15.9528 15.9528 k = 0.3333 0.5774 0.0929 ( 2523 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9444 -11.9444 -11.5319 -11.5319 -10.9762 -10.9762 -10.2339 -10.2339 -10.1966 -10.1966 -9.9805 -9.9805 -5.5550 -5.5550 -5.3176 -5.3176 -5.2509 -5.2509 6.8464 6.8464 6.8584 6.8584 7.1723 7.1723 7.5308 7.5308 7.5504 7.5504 8.3409 8.3409 8.8671 8.8671 8.9376 8.9376 8.9431 8.9431 13.4487 13.4487 15.7389 15.7389 15.9398 15.9398 15.9879 15.9879 k = 0.3333 0.5774 0.1046 ( 2529 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9462 -11.9462 -11.5335 -11.5335 -10.9771 -10.9771 -10.2314 -10.2314 -10.1949 -10.1949 -9.9791 -9.9791 -5.5546 -5.5546 -5.3175 -5.3175 -5.2504 -5.2504 6.8041 6.8041 6.8165 6.8165 7.1722 7.1722 7.5557 7.5557 7.5754 7.5754 8.3471 8.3471 8.8592 8.8592 8.9503 8.9503 8.9560 8.9560 13.4697 13.4697 15.7028 15.7028 15.9520 15.9520 16.0271 16.0271 k = 0.3333 0.5774 0.1162 ( 2538 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9481 -11.9481 -11.5351 -11.5351 -10.9780 -10.9780 -10.2287 -10.2287 -10.1933 -10.1933 -9.9775 -9.9775 -5.5541 -5.5541 -5.3174 -5.3174 -5.2498 -5.2498 6.7624 6.7624 6.7751 6.7751 7.1722 7.1722 7.5788 7.5788 7.5986 7.5986 8.3539 8.3539 8.8505 8.8505 8.9640 8.9640 8.9699 8.9699 13.4929 13.4929 15.6613 15.6613 15.9669 15.9669 16.0702 16.0702 k = 0.3333 0.5774 0.1278 ( 2532 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9501 -11.9501 -11.5369 -11.5369 -10.9790 -10.9790 -10.2259 -10.2259 -10.1917 -10.1917 -9.9757 -9.9757 -5.5536 -5.5536 -5.3173 -5.3173 -5.2492 -5.2492 6.7216 6.7216 6.7345 6.7345 7.1722 7.1722 7.6000 7.6000 7.6199 7.6199 8.3614 8.3614 8.8411 8.8411 8.9784 8.9784 8.9845 8.9845 13.5181 13.5181 15.6155 15.6155 15.9842 15.9842 16.1161 16.1161 k = 0.3333 0.5774 0.1394 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9521 -11.9521 -11.5387 -11.5387 -10.9799 -10.9799 -10.2231 -10.2231 -10.1901 -10.1901 -9.9738 -9.9738 -5.5531 -5.5531 -5.3172 -5.3172 -5.2486 -5.2486 6.6820 6.6820 6.6952 6.6952 7.1723 7.1723 7.6194 7.6194 7.6394 7.6394 8.3694 8.3694 8.8311 8.8311 8.9933 8.9933 8.9995 8.9995 13.5454 13.5454 15.5664 15.5664 16.0033 16.0033 16.1639 16.1639 k = 0.3333 0.5774 0.1510 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9542 -11.9542 -11.5406 -11.5406 -10.9808 -10.9808 -10.2201 -10.2201 -10.1886 -10.1886 -9.9718 -9.9718 -5.5526 -5.5526 -5.3171 -5.3171 -5.2480 -5.2480 6.6439 6.6439 6.6572 6.6572 7.1724 7.1724 7.6369 7.6369 7.6571 7.6571 8.3779 8.3779 8.8205 8.8205 9.0085 9.0085 9.0149 9.0149 13.5744 13.5744 15.5146 15.5146 16.0238 16.0238 16.2130 16.2130 k = 0.3333 0.5774 0.1626 ( 2529 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9563 -11.9563 -11.5425 -11.5425 -10.9817 -10.9817 -10.2172 -10.2172 -10.1872 -10.1872 -9.9697 -9.9697 -5.5521 -5.5521 -5.3170 -5.3170 -5.2474 -5.2474 6.6074 6.6074 6.6210 6.6210 7.1725 7.1725 7.6527 7.6527 7.6729 7.6729 8.3869 8.3869 8.8095 8.8095 9.0238 9.0238 9.0303 9.0303 13.6050 13.6050 15.4609 15.4609 16.0453 16.0453 16.2621 16.2621 k = 0.3333 0.5774 0.1743 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9584 -11.9584 -11.5443 -11.5443 -10.9826 -10.9826 -10.2143 -10.2143 -10.1859 -10.1859 -9.9676 -9.9676 -5.5516 -5.5516 -5.3169 -5.3169 -5.2468 -5.2468 6.5728 6.5728 6.5865 6.5865 7.1726 7.1726 7.6667 7.6667 7.6871 7.6871 8.3963 8.3963 8.7981 8.7981 9.0390 9.0390 9.0456 9.0456 13.6370 13.6370 15.4059 15.4059 16.0675 16.0675 16.3098 16.3098 k = 0.3333 0.5774 0.1859 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9604 -11.9604 -11.5462 -11.5462 -10.9833 -10.9833 -10.2114 -10.2114 -10.1847 -10.1847 -9.9654 -9.9654 -5.5511 -5.5511 -5.3168 -5.3168 -5.2462 -5.2462 6.5403 6.5403 6.5542 6.5542 7.1727 7.1727 7.6792 7.6792 7.6996 7.6996 8.4061 8.4061 8.7863 8.7863 9.0538 9.0538 9.0605 9.0605 13.6701 13.6701 15.3503 15.3503 16.0900 16.0900 16.3560 16.3560 k = 0.3333 0.5774 0.1975 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9624 -11.9624 -11.5479 -11.5479 -10.9841 -10.9841 -10.2086 -10.2086 -10.1837 -10.1837 -9.9632 -9.9632 -5.5506 -5.5506 -5.3167 -5.3167 -5.2456 -5.2456 6.5101 6.5101 6.5241 6.5241 7.1729 7.1729 7.6901 7.6901 7.7106 7.7106 8.4160 8.4160 8.7745 8.7745 9.0680 9.0680 9.0749 9.0749 13.7041 13.7041 15.2948 15.2948 16.1124 16.1124 16.3999 16.3999 k = 0.3333 0.5774 0.2091 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9642 -11.9642 -11.5496 -11.5496 -10.9848 -10.9848 -10.2060 -10.2060 -10.1828 -10.1828 -9.9611 -9.9611 -5.5501 -5.5501 -5.3166 -5.3166 -5.2450 -5.2450 6.4822 6.4822 6.4964 6.4964 7.1730 7.1730 7.6997 7.6997 7.7202 7.7202 8.4262 8.4262 8.7625 8.7625 9.0816 9.0816 9.0885 9.0885 13.7385 13.7385 15.2399 15.2399 16.1344 16.1344 16.4409 16.4409 k = 0.3333 0.5774 0.2207 ( 2535 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9660 -11.9660 -11.5512 -11.5512 -10.9854 -10.9854 -10.2036 -10.2036 -10.1820 -10.1820 -9.9591 -9.9591 -5.5497 -5.5497 -5.3165 -5.3165 -5.2445 -5.2445 6.4569 6.4569 6.4712 6.4712 7.1731 7.1731 7.7079 7.7079 7.7285 7.7285 8.4363 8.4363 8.7507 8.7507 9.0942 9.0942 9.1011 9.1011 13.7728 13.7728 15.1866 15.1866 16.1556 16.1556 16.4782 16.4782 k = 0.3333 0.5774 0.2323 ( 2547 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9676 -11.9676 -11.5527 -11.5527 -10.9859 -10.9859 -10.2014 -10.2014 -10.1814 -10.1814 -9.9572 -9.9572 -5.5493 -5.5493 -5.3164 -5.3164 -5.2441 -5.2441 6.4343 6.4343 6.4487 6.4487 7.1732 7.1732 7.7149 7.7149 7.7355 7.7355 8.4463 8.4463 8.7392 8.7392 9.1057 9.1057 9.1127 9.1127 13.8065 13.8065 15.1355 15.1355 16.1755 16.1755 16.5115 16.5115 k = 0.3333 0.5774 0.2440 ( 2553 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9690 -11.9690 -11.5540 -11.5540 -10.9864 -10.9864 -10.1994 -10.1994 -10.1809 -10.1809 -9.9555 -9.9555 -5.5489 -5.5489 -5.3164 -5.3164 -5.2436 -5.2436 6.4145 6.4145 6.4290 6.4290 7.1733 7.1733 7.7208 7.7208 7.7415 7.7415 8.4560 8.4560 8.7282 8.7282 9.1160 9.1160 9.1230 9.1230 13.8388 13.8388 15.0877 15.0877 16.1939 16.1939 16.5404 16.5404 k = 0.3333 0.5774 0.2556 ( 2553 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9702 -11.9702 -11.5551 -11.5551 -10.9868 -10.9868 -10.1976 -10.1976 -10.1804 -10.1804 -9.9540 -9.9540 -5.5486 -5.5486 -5.3163 -5.3163 -5.2433 -5.2433 6.3975 6.3975 6.4121 6.4121 7.1734 7.1734 7.7257 7.7257 7.7463 7.7463 8.4651 8.4651 8.7179 8.7179 9.1249 9.1249 9.1320 9.1320 13.8690 13.8690 15.0442 15.0442 16.2103 16.2103 16.5648 16.5648 k = 0.3333 0.5774 0.2672 ( 2559 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9712 -11.9712 -11.5561 -11.5561 -10.9871 -10.9871 -10.1962 -10.1962 -10.1801 -10.1801 -9.9527 -9.9527 -5.5483 -5.5483 -5.3162 -5.3162 -5.2430 -5.2430 6.3835 6.3835 6.3982 6.3982 7.1735 7.1735 7.7296 7.7296 7.7502 7.7502 8.4733 8.4733 8.7087 8.7087 9.1323 9.1323 9.1395 9.1395 13.8959 13.8959 15.0061 15.0061 16.2242 16.2242 16.5847 16.5847 k = 0.3333 0.5774 0.2788 ( 2562 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9721 -11.9721 -11.5569 -11.5569 -10.9873 -10.9873 -10.1951 -10.1951 -10.1799 -10.1799 -9.9516 -9.9516 -5.5481 -5.5481 -5.3162 -5.3162 -5.2427 -5.2427 6.3726 6.3726 6.3873 6.3873 7.1735 7.1735 7.7325 7.7325 7.7532 7.7532 8.4803 8.4803 8.7010 8.7010 9.1382 9.1382 9.1454 9.1454 13.9185 13.9185 14.9746 14.9746 16.2355 16.2355 16.6000 16.6000 k = 0.3333 0.5774 0.2904 ( 2562 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9726 -11.9726 -11.5574 -11.5574 -10.9875 -10.9875 -10.1942 -10.1942 -10.1797 -10.1797 -9.9509 -9.9509 -5.5480 -5.5480 -5.3162 -5.3162 -5.2425 -5.2425 6.3648 6.3648 6.3795 6.3795 7.1735 7.1735 7.7346 7.7346 7.7552 7.7552 8.4856 8.4856 8.6951 8.6951 9.1425 9.1425 9.1496 9.1496 13.9358 13.9358 14.9511 14.9511 16.2438 16.2438 16.6108 16.6108 k = 0.3333 0.5774 0.3020 ( 2574 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9730 -11.9730 -11.5578 -11.5578 -10.9876 -10.9876 -10.1937 -10.1937 -10.1796 -10.1796 -9.9504 -9.9504 -5.5479 -5.5479 -5.3162 -5.3162 -5.2424 -5.2424 6.3600 6.3600 6.3748 6.3748 7.1735 7.1735 7.7358 7.7358 7.7565 7.7565 8.4890 8.4890 8.6914 8.6914 9.1451 9.1451 9.1522 9.1522 13.9465 13.9465 14.9364 14.9364 16.2488 16.2488 16.6173 16.6173 k = 0.3333 0.5774 0.3137 ( 2580 PWs) bands (ev): -30.2776 -30.2776 -30.2776 -30.2776 -11.9731 -11.9731 -11.5579 -11.5579 -10.9877 -10.9877 -10.1936 -10.1936 -10.1796 -10.1796 -9.9503 -9.9503 -5.5479 -5.5479 -5.3162 -5.3162 -5.2424 -5.2424 6.3585 6.3585 6.3732 6.3732 7.1736 7.1736 7.7362 7.7362 7.7569 7.7569 8.4902 8.4902 8.6901 8.6901 9.1459 9.1459 9.1531 9.1531 13.9502 13.9502 14.9314 14.9314 16.2505 16.2505 16.6194 16.6194 Writing output data file Y2O3.save init_run : 0.16s CPU 0.27s WALL ( 1 calls) electrons : 116.35s CPU 118.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 116.34s CPU 118.73s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 362 calls) cegterg : 106.86s CPU 108.77s WALL ( 523 calls) Called by sum_band: Called by *egterg: h_psi : 48.88s CPU 50.10s WALL ( 8043 calls) s_psi : 3.11s CPU 3.15s WALL ( 8043 calls) g_psi : 0.13s CPU 0.16s WALL ( 7158 calls) cdiaghg : 52.27s CPU 53.13s WALL ( 7520 calls) cegterg:over : 3.95s CPU 4.07s WALL ( 7158 calls) cegterg:upda : 2.87s CPU 2.84s WALL ( 7158 calls) cegterg:last : 1.75s CPU 1.71s WALL ( 1248 calls) cdiaghg:chol : 2.68s CPU 2.81s WALL ( 7520 calls) cdiaghg:inve : 1.93s CPU 1.95s WALL ( 7520 calls) cdiaghg:para : 3.08s CPU 3.10s WALL ( 15040 calls) Called by h_psi: h_psi:vloc : 41.71s CPU 42.71s WALL ( 8043 calls) h_psi:vnl : 7.03s CPU 7.27s WALL ( 8043 calls) add_vuspsi : 3.51s CPU 3.75s WALL ( 8043 calls) General routines calbec : 3.51s CPU 3.50s WALL ( 8043 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 38.90s CPU 39.79s WALL ( 830928 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.15s WALL ( 724 calls) Parallel routines fft_scatter : 20.23s CPU 20.54s WALL ( 830951 calls) PWSCF : 2m 9.32s CPU 2m23.01s WALL This run was terminated on: 21: 1:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=