Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:43:58 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: ./SrxCdPx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 81 20 5 6049 744 115 Max 82 21 6 6058 775 124 Sum 2941 745 211 217947 27391 4381 bravais-lattice index = 14 lattice parameter (alat) = 8.1976 a.u. unit-cell volume = 799.4308 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.197631 celldm(2)= 1.000000 celldm(3)= 1.675657 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 1.675657 ) 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 0.596781 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Cd 12.00 112.41100 Cd( 1.00) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0032573 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0032573 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0032573 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0032573 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0032573 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0032573 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0032573 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0032573 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0032573 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0032573 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0032573 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0032573 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0032573 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032573 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0032573 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0032573 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0032573 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0032573 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0032573 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0032573 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0032573 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0032573 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0032573 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0032573 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0032573 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0032573 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0032573 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0032573 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0032573 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0032573 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0032573 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0032573 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0032573 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0032573 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032573 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032573 k( 45) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032573 k( 46) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032573 k( 47) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032573 k( 48) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032573 k( 49) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032573 k( 50) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032573 k( 51) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032573 k( 52) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032573 k( 53) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032573 k( 54) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032573 k( 55) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032573 k( 56) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032573 k( 57) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032573 k( 58) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032573 k( 59) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032573 k( 60) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032573 k( 61) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032573 k( 62) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032573 k( 63) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032573 k( 64) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032573 k( 65) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0032573 k( 74) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0032573 k( 75) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0032573 k( 76) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0032573 k( 77) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032573 k( 78) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0032573 k( 79) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0032573 k( 80) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0032573 k( 81) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0032573 k( 82) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0032573 k( 83) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0032573 k( 84) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032573 k( 85) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0032573 k( 86) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0032573 k( 87) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0032573 k( 88) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0032573 k( 89) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0032573 k( 90) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0032573 k( 91) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032573 k( 92) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0032573 k( 93) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0032573 k( 94) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0032573 k( 95) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0032573 k( 96) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0032573 k( 97) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0032573 k( 98) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032573 k( 99) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0032573 k( 100) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0032573 k( 101) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0032573 k( 102) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0032573 k( 103) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0032573 k( 104) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0032573 k( 105) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032573 k( 106) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0032573 k( 107) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0032573 k( 108) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0032573 k( 109) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0032573 k( 110) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0032573 k( 111) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0032573 k( 112) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032573 k( 113) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0032573 k( 114) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0032573 k( 115) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0032573 k( 116) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0032573 k( 117) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0032573 k( 118) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0032573 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 121) = ( 0.0000000 0.0000000 0.0135632), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.0271264), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.0406896), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.0542528), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.0678160), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.0813792), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.0949424), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.1085056), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.1220688), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.1356320), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.1491952), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.1627584), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.1763216), wk = 0.0032573 k( 134) = ( 0.0000000 0.0000000 0.1898848), wk = 0.0032573 k( 135) = ( 0.0000000 0.0000000 0.2034480), wk = 0.0032573 k( 136) = ( 0.0000000 0.0000000 0.2170112), wk = 0.0032573 k( 137) = ( 0.0000000 0.0000000 0.2305744), wk = 0.0032573 k( 138) = ( 0.0000000 0.0000000 0.2441376), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.2577008), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.2712640), wk = 0.0032573 k( 141) = ( 0.0000000 0.0000000 0.2848272), wk = 0.0032573 k( 142) = ( 0.0000000 0.0000000 0.2983904), wk = 0.0032573 k( 143) = ( 0.0000000 0.0000000 0.2983904), wk = 0.0032573 k( 144) = ( 0.0119048 0.0068732 0.2983904), wk = 0.0032573 k( 145) = ( 0.0238095 0.0137464 0.2983904), wk = 0.0032573 k( 146) = ( 0.0357143 0.0206197 0.2983904), wk = 0.0032573 k( 147) = ( 0.0476191 0.0274929 0.2983904), wk = 0.0032573 k( 148) = ( 0.0595238 0.0343661 0.2983904), wk = 0.0032573 k( 149) = ( 0.0714286 0.0412393 0.2983904), wk = 0.0032573 k( 150) = ( 0.0833333 0.0481125 0.2983904), wk = 0.0032573 k( 151) = ( 0.0952381 0.0549857 0.2983904), wk = 0.0032573 k( 152) = ( 0.1071429 0.0618590 0.2983904), wk = 0.0032573 k( 153) = ( 0.1190476 0.0687322 0.2983904), wk = 0.0032573 k( 154) = ( 0.1309524 0.0756054 0.2983904), wk = 0.0032573 k( 155) = ( 0.1428571 0.0824786 0.2983904), wk = 0.0032573 k( 156) = ( 0.1547619 0.0893518 0.2983904), wk = 0.0032573 k( 157) = ( 0.1666667 0.0962250 0.2983904), wk = 0.0032573 k( 158) = ( 0.1785714 0.1030983 0.2983904), wk = 0.0032573 k( 159) = ( 0.1904762 0.1099715 0.2983904), wk = 0.0032573 k( 160) = ( 0.2023810 0.1168447 0.2983904), wk = 0.0032573 k( 161) = ( 0.2142857 0.1237179 0.2983904), wk = 0.0032573 k( 162) = ( 0.2261905 0.1305911 0.2983904), wk = 0.0032573 k( 163) = ( 0.2380952 0.1374644 0.2983904), wk = 0.0032573 k( 164) = ( 0.2500000 0.1443376 0.2983904), wk = 0.0032573 k( 165) = ( 0.2619048 0.1512108 0.2983904), wk = 0.0032573 k( 166) = ( 0.2738095 0.1580840 0.2983904), wk = 0.0032573 k( 167) = ( 0.2857143 0.1649572 0.2983904), wk = 0.0032573 k( 168) = ( 0.2976190 0.1718304 0.2983904), wk = 0.0032573 k( 169) = ( 0.3095238 0.1787037 0.2983904), wk = 0.0032573 k( 170) = ( 0.3214286 0.1855769 0.2983904), wk = 0.0032573 k( 171) = ( 0.3333333 0.1924501 0.2983904), wk = 0.0032573 k( 172) = ( 0.3452381 0.1993233 0.2983904), wk = 0.0032573 k( 173) = ( 0.3571429 0.2061965 0.2983904), wk = 0.0032573 k( 174) = ( 0.3690476 0.2130697 0.2983904), wk = 0.0032573 k( 175) = ( 0.3809524 0.2199430 0.2983904), wk = 0.0032573 k( 176) = ( 0.3928571 0.2268162 0.2983904), wk = 0.0032573 k( 177) = ( 0.4047619 0.2336894 0.2983904), wk = 0.0032573 k( 178) = ( 0.4166667 0.2405626 0.2983904), wk = 0.0032573 k( 179) = ( 0.4285714 0.2474358 0.2983904), wk = 0.0032573 k( 180) = ( 0.4404762 0.2543090 0.2983904), wk = 0.0032573 k( 181) = ( 0.4523810 0.2611823 0.2983904), wk = 0.0032573 k( 182) = ( 0.4642857 0.2680555 0.2983904), wk = 0.0032573 k( 183) = ( 0.4761905 0.2749287 0.2983904), wk = 0.0032573 k( 184) = ( 0.4880952 0.2818019 0.2983904), wk = 0.0032573 k( 185) = ( 0.5000000 0.2886751 0.2983904), wk = 0.0032573 k( 186) = ( 0.5000000 0.2886751 0.2983904), wk = 0.0032573 k( 187) = ( 0.4933333 0.3002221 0.2983904), wk = 0.0032573 k( 188) = ( 0.4866667 0.3117692 0.2983904), wk = 0.0032573 k( 189) = ( 0.4800000 0.3233162 0.2983904), wk = 0.0032573 k( 190) = ( 0.4733333 0.3348632 0.2983904), wk = 0.0032573 k( 191) = ( 0.4666667 0.3464102 0.2983904), wk = 0.0032573 k( 192) = ( 0.4600000 0.3579572 0.2983904), wk = 0.0032573 k( 193) = ( 0.4533333 0.3695042 0.2983904), wk = 0.0032573 k( 194) = ( 0.4466667 0.3810512 0.2983904), wk = 0.0032573 k( 195) = ( 0.4400000 0.3925982 0.2983904), wk = 0.0032573 k( 196) = ( 0.4333333 0.4041452 0.2983904), wk = 0.0032573 k( 197) = ( 0.4266667 0.4156922 0.2983904), wk = 0.0032573 k( 198) = ( 0.4200000 0.4272392 0.2983904), wk = 0.0032573 k( 199) = ( 0.4133333 0.4387862 0.2983904), wk = 0.0032573 k( 200) = ( 0.4066667 0.4503332 0.2983904), wk = 0.0032573 k( 201) = ( 0.4000000 0.4618802 0.2983904), wk = 0.0032573 k( 202) = ( 0.3933333 0.4734272 0.2983904), wk = 0.0032573 k( 203) = ( 0.3866667 0.4849742 0.2983904), wk = 0.0032573 k( 204) = ( 0.3800000 0.4965212 0.2983904), wk = 0.0032573 k( 205) = ( 0.3733333 0.5080682 0.2983904), wk = 0.0032573 k( 206) = ( 0.3666667 0.5196152 0.2983904), wk = 0.0032573 k( 207) = ( 0.3600000 0.5311622 0.2983904), wk = 0.0032573 k( 208) = ( 0.3533333 0.5427092 0.2983904), wk = 0.0032573 k( 209) = ( 0.3466667 0.5542563 0.2983904), wk = 0.0032573 k( 210) = ( 0.3400000 0.5658033 0.2983904), wk = 0.0032573 k( 211) = ( 0.3333333 0.5773503 0.2983904), wk = 0.0032573 k( 212) = ( 0.3333333 0.5773503 0.2983904), wk = 0.0032573 k( 213) = ( 0.3265306 0.5655676 0.2983904), wk = 0.0032573 k( 214) = ( 0.3197279 0.5537850 0.2983904), wk = 0.0032573 k( 215) = ( 0.3129252 0.5420023 0.2983904), wk = 0.0032573 k( 216) = ( 0.3061224 0.5302196 0.2983904), wk = 0.0032573 k( 217) = ( 0.2993197 0.5184370 0.2983904), wk = 0.0032573 k( 218) = ( 0.2925170 0.5066543 0.2983904), wk = 0.0032573 k( 219) = ( 0.2857143 0.4948717 0.2983904), wk = 0.0032573 k( 220) = ( 0.2789116 0.4830890 0.2983904), wk = 0.0032573 k( 221) = ( 0.2721088 0.4713063 0.2983904), wk = 0.0032573 k( 222) = ( 0.2653061 0.4595237 0.2983904), wk = 0.0032573 k( 223) = ( 0.2585034 0.4477410 0.2983904), wk = 0.0032573 k( 224) = ( 0.2517007 0.4359584 0.2983904), wk = 0.0032573 k( 225) = ( 0.2448980 0.4241757 0.2983904), wk = 0.0032573 k( 226) = ( 0.2380952 0.4123931 0.2983904), wk = 0.0032573 k( 227) = ( 0.2312925 0.4006104 0.2983904), wk = 0.0032573 k( 228) = ( 0.2244898 0.3888277 0.2983904), wk = 0.0032573 k( 229) = ( 0.2176871 0.3770451 0.2983904), wk = 0.0032573 k( 230) = ( 0.2108843 0.3652624 0.2983904), wk = 0.0032573 k( 231) = ( 0.2040816 0.3534798 0.2983904), wk = 0.0032573 k( 232) = ( 0.1972789 0.3416971 0.2983904), wk = 0.0032573 k( 233) = ( 0.1904762 0.3299144 0.2983904), wk = 0.0032573 k( 234) = ( 0.1836735 0.3181318 0.2983904), wk = 0.0032573 k( 235) = ( 0.1768707 0.3063491 0.2983904), wk = 0.0032573 k( 236) = ( 0.1700680 0.2945665 0.2983904), wk = 0.0032573 k( 237) = ( 0.1632653 0.2827838 0.2983904), wk = 0.0032573 k( 238) = ( 0.1564626 0.2710012 0.2983904), wk = 0.0032573 k( 239) = ( 0.1496599 0.2592185 0.2983904), wk = 0.0032573 k( 240) = ( 0.1428571 0.2474358 0.2983904), wk = 0.0032573 k( 241) = ( 0.1360544 0.2356532 0.2983904), wk = 0.0032573 k( 242) = ( 0.1292517 0.2238705 0.2983904), wk = 0.0032573 k( 243) = ( 0.1224490 0.2120879 0.2983904), wk = 0.0032573 k( 244) = ( 0.1156463 0.2003052 0.2983904), wk = 0.0032573 k( 245) = ( 0.1088435 0.1885225 0.2983904), wk = 0.0032573 k( 246) = ( 0.1020408 0.1767399 0.2983904), wk = 0.0032573 k( 247) = ( 0.0952381 0.1649572 0.2983904), wk = 0.0032573 k( 248) = ( 0.0884354 0.1531746 0.2983904), wk = 0.0032573 k( 249) = ( 0.0816327 0.1413919 0.2983904), wk = 0.0032573 k( 250) = ( 0.0748299 0.1296092 0.2983904), wk = 0.0032573 k( 251) = ( 0.0680272 0.1178266 0.2983904), wk = 0.0032573 k( 252) = ( 0.0612245 0.1060439 0.2983904), wk = 0.0032573 k( 253) = ( 0.0544218 0.0942613 0.2983904), wk = 0.0032573 k( 254) = ( 0.0476191 0.0824786 0.2983904), wk = 0.0032573 k( 255) = ( 0.0408163 0.0706960 0.2983904), wk = 0.0032573 k( 256) = ( 0.0340136 0.0589133 0.2983904), wk = 0.0032573 k( 257) = ( 0.0272109 0.0471306 0.2983904), wk = 0.0032573 k( 258) = ( 0.0204082 0.0353480 0.2983904), wk = 0.0032573 k( 259) = ( 0.0136054 0.0235653 0.2983904), wk = 0.0032573 k( 260) = ( 0.0068027 0.0117827 0.2983904), wk = 0.0032573 k( 261) = ( 0.0000000 0.0000000 0.2983904), wk = 0.0032573 k( 262) = ( 0.5000000 0.2886751 0.2983904), wk = 0.0032573 k( 263) = ( 0.5000000 0.2886751 0.2848272), wk = 0.0032573 k( 264) = ( 0.5000000 0.2886751 0.2712640), wk = 0.0032573 k( 265) = ( 0.5000000 0.2886751 0.2577008), wk = 0.0032573 k( 266) = ( 0.5000000 0.2886751 0.2441376), wk = 0.0032573 k( 267) = ( 0.5000000 0.2886751 0.2305744), wk = 0.0032573 k( 268) = ( 0.5000000 0.2886751 0.2170112), wk = 0.0032573 k( 269) = ( 0.5000000 0.2886751 0.2034480), wk = 0.0032573 k( 270) = ( 0.5000000 0.2886751 0.1898848), wk = 0.0032573 k( 271) = ( 0.5000000 0.2886751 0.1763216), wk = 0.0032573 k( 272) = ( 0.5000000 0.2886751 0.1627584), wk = 0.0032573 k( 273) = ( 0.5000000 0.2886751 0.1491952), wk = 0.0032573 k( 274) = ( 0.5000000 0.2886751 0.1356320), wk = 0.0032573 k( 275) = ( 0.5000000 0.2886751 0.1220688), wk = 0.0032573 k( 276) = ( 0.5000000 0.2886751 0.1085056), wk = 0.0032573 k( 277) = ( 0.5000000 0.2886751 0.0949424), wk = 0.0032573 k( 278) = ( 0.5000000 0.2886751 0.0813792), wk = 0.0032573 k( 279) = ( 0.5000000 0.2886751 0.0678160), wk = 0.0032573 k( 280) = ( 0.5000000 0.2886751 0.0542528), wk = 0.0032573 k( 281) = ( 0.5000000 0.2886751 0.0406896), wk = 0.0032573 k( 282) = ( 0.5000000 0.2886751 0.0271264), wk = 0.0032573 k( 283) = ( 0.5000000 0.2886751 0.0135632), wk = 0.0032573 k( 284) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032573 k( 285) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032573 k( 286) = ( 0.3333333 0.5773503 0.0135632), wk = 0.0032573 k( 287) = ( 0.3333333 0.5773503 0.0271264), wk = 0.0032573 k( 288) = ( 0.3333333 0.5773503 0.0406896), wk = 0.0032573 k( 289) = ( 0.3333333 0.5773503 0.0542528), wk = 0.0032573 k( 290) = ( 0.3333333 0.5773503 0.0678160), wk = 0.0032573 k( 291) = ( 0.3333333 0.5773503 0.0813792), wk = 0.0032573 k( 292) = ( 0.3333333 0.5773503 0.0949424), wk = 0.0032573 k( 293) = ( 0.3333333 0.5773503 0.1085056), wk = 0.0032573 k( 294) = ( 0.3333333 0.5773503 0.1220688), wk = 0.0032573 k( 295) = ( 0.3333333 0.5773503 0.1356320), wk = 0.0032573 k( 296) = ( 0.3333333 0.5773503 0.1491952), wk = 0.0032573 k( 297) = ( 0.3333333 0.5773503 0.1627584), wk = 0.0032573 k( 298) = ( 0.3333333 0.5773503 0.1763216), wk = 0.0032573 k( 299) = ( 0.3333333 0.5773503 0.1898848), wk = 0.0032573 k( 300) = ( 0.3333333 0.5773503 0.2034480), wk = 0.0032573 k( 301) = ( 0.3333333 0.5773503 0.2170112), wk = 0.0032573 k( 302) = ( 0.3333333 0.5773503 0.2305744), wk = 0.0032573 k( 303) = ( 0.3333333 0.5773503 0.2441376), wk = 0.0032573 k( 304) = ( 0.3333333 0.5773503 0.2577008), wk = 0.0032573 k( 305) = ( 0.3333333 0.5773503 0.2712640), wk = 0.0032573 k( 306) = ( 0.3333333 0.5773503 0.2848272), wk = 0.0032573 k( 307) = ( 0.3333333 0.5773503 0.2983904), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0032573 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0032573 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0032573 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0032573 k( 14) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0032573 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0032573 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.2023810 0.0000000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0032573 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0032573 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0032573 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.2976190 0.0000000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0032573 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0032573 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0032573 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0032573 k( 46) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0032573 k( 47) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0032573 k( 48) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0032573 k( 49) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0032573 k( 50) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0032573 k( 52) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0032573 k( 53) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0032573 k( 55) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0032573 k( 56) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0032573 k( 58) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0032573 k( 59) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0032573 k( 61) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032573 k( 62) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0032573 k( 63) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0032573 k( 64) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0032573 k( 65) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0032573 k( 67) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3197279 0.3197279 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0032573 k( 74) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0032573 k( 75) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0032573 k( 76) = ( 0.2925170 0.2925170 -0.0000000), wk = 0.0032573 k( 77) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 78) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0032573 k( 79) = ( 0.2721088 0.2721088 -0.0000000), wk = 0.0032573 k( 80) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032573 k( 81) = ( 0.2585034 0.2585034 -0.0000000), wk = 0.0032573 k( 82) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0032573 k( 83) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0032573 k( 84) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0032573 k( 85) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0032573 k( 86) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0032573 k( 87) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0032573 k( 88) = ( 0.2108843 0.2108844 -0.0000000), wk = 0.0032573 k( 89) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0032573 k( 90) = ( 0.1972789 0.1972789 -0.0000000), wk = 0.0032573 k( 91) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0032573 k( 92) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0032573 k( 93) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0032573 k( 94) = ( 0.1700680 0.1700680 -0.0000000), wk = 0.0032573 k( 95) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0032573 k( 96) = ( 0.1564626 0.1564626 -0.0000000), wk = 0.0032573 k( 97) = ( 0.1496599 0.1496599 -0.0000000), wk = 0.0032573 k( 98) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 99) = ( 0.1360544 0.1360544 -0.0000000), wk = 0.0032573 k( 100) = ( 0.1292517 0.1292517 -0.0000000), wk = 0.0032573 k( 101) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0032573 k( 102) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0032573 k( 103) = ( 0.1088435 0.1088435 -0.0000000), wk = 0.0032573 k( 104) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0032573 k( 105) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0032573 k( 106) = ( 0.0884354 0.0884354 -0.0000000), wk = 0.0032573 k( 107) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0032573 k( 108) = ( 0.0748299 0.0748299 -0.0000000), wk = 0.0032573 k( 109) = ( 0.0680272 0.0680272 -0.0000000), wk = 0.0032573 k( 110) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0032573 k( 111) = ( 0.0544218 0.0544218 -0.0000000), wk = 0.0032573 k( 112) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0032573 k( 113) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0032573 k( 114) = ( 0.0340136 0.0340136 -0.0000000), wk = 0.0032573 k( 115) = ( 0.0272109 0.0272109 -0.0000000), wk = 0.0032573 k( 116) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032573 k( 117) = ( 0.0136054 0.0136054 -0.0000000), wk = 0.0032573 k( 118) = ( 0.0068027 0.0068027 -0.0000000), wk = 0.0032573 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 121) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0032573 k( 134) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0032573 k( 135) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0032573 k( 136) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0032573 k( 137) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0032573 k( 138) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0032573 k( 141) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0032573 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 144) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0032573 k( 145) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0032573 k( 146) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0032573 k( 147) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0032573 k( 148) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0032573 k( 149) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0032573 k( 150) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0032573 k( 151) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0032573 k( 152) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0032573 k( 153) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0032573 k( 154) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0032573 k( 155) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0032573 k( 156) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0032573 k( 157) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0032573 k( 158) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0032573 k( 159) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0032573 k( 160) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0032573 k( 161) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0032573 k( 162) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0032573 k( 163) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0032573 k( 164) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032573 k( 165) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0032573 k( 166) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0032573 k( 167) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0032573 k( 168) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0032573 k( 169) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0032573 k( 170) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0032573 k( 171) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0032573 k( 172) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0032573 k( 173) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0032573 k( 174) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0032573 k( 175) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0032573 k( 176) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0032573 k( 177) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0032573 k( 178) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0032573 k( 179) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0032573 k( 180) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0032573 k( 181) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0032573 k( 182) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0032573 k( 183) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0032573 k( 184) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0032573 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032573 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032573 k( 187) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032573 k( 188) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032573 k( 189) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032573 k( 190) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032573 k( 191) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032573 k( 192) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032573 k( 193) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032573 k( 194) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032573 k( 195) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032573 k( 196) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032573 k( 197) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032573 k( 198) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032573 k( 199) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032573 k( 200) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032573 k( 201) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032573 k( 202) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032573 k( 203) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032573 k( 204) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032573 k( 205) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032573 k( 206) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032573 k( 207) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032573 k( 208) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032573 k( 209) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032573 k( 210) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032573 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032573 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032573 k( 213) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032573 k( 214) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0032573 k( 215) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0032573 k( 216) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0032573 k( 217) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0032573 k( 218) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0032573 k( 219) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032573 k( 220) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0032573 k( 221) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0032573 k( 222) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032573 k( 223) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0032573 k( 224) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0032573 k( 225) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032573 k( 226) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032573 k( 227) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0032573 k( 228) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032573 k( 229) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0032573 k( 230) = ( 0.2108843 0.2108844 0.5000000), wk = 0.0032573 k( 231) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032573 k( 232) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0032573 k( 233) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032573 k( 234) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032573 k( 235) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0032573 k( 236) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0032573 k( 237) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032573 k( 238) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0032573 k( 239) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0032573 k( 240) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032573 k( 241) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0032573 k( 242) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0032573 k( 243) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032573 k( 244) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0032573 k( 245) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0032573 k( 246) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032573 k( 247) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032573 k( 248) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0032573 k( 249) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032573 k( 250) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0032573 k( 251) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0032573 k( 252) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032573 k( 253) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0032573 k( 254) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0032573 k( 255) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032573 k( 256) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0032573 k( 257) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0032573 k( 258) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032573 k( 259) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0032573 k( 260) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0032573 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032573 k( 263) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0032573 k( 264) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0032573 k( 265) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0032573 k( 266) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0032573 k( 267) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0032573 k( 268) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0032573 k( 269) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0032573 k( 270) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0032573 k( 271) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0032573 k( 272) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0032573 k( 273) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032573 k( 274) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0032573 k( 275) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0032573 k( 276) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0032573 k( 277) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0032573 k( 278) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0032573 k( 279) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0032573 k( 280) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0032573 k( 281) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0032573 k( 282) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0032573 k( 283) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0032573 k( 284) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573 k( 285) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032573 k( 286) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0032573 k( 287) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0032573 k( 288) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0032573 k( 289) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0032573 k( 290) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0032573 k( 291) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0032573 k( 292) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0032573 k( 293) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0032573 k( 294) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0032573 k( 295) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0032573 k( 296) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0032573 k( 297) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0032573 k( 298) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0032573 k( 299) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0032573 k( 300) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0032573 k( 301) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0032573 k( 302) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0032573 k( 303) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0032573 k( 304) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0032573 k( 305) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0032573 k( 306) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0032573 k( 307) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032573 Dense grid: 217947 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 27391 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 190, 52) NL pseudopotentials 0.25 Mb ( 95, 170) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6056) G-vector shells 0.02 Mb ( 2951) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 190, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) The potential is recalculated from file : ./SrxCdPx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 9.4 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 13.1 secs Computing kpt #: 11 total cpu time spent up to now is 14.1 secs Computing kpt #: 12 total cpu time spent up to now is 15.0 secs Computing kpt #: 13 total cpu time spent up to now is 16.2 secs Computing kpt #: 14 total cpu time spent up to now is 17.2 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 18.9 secs Computing kpt #: 17 total cpu time spent up to now is 19.8 secs Computing kpt #: 18 total cpu time spent up to now is 20.6 secs Computing kpt #: 19 total cpu time spent up to now is 21.4 secs Computing kpt #: 20 total cpu time spent up to now is 22.2 secs Computing kpt #: 21 total cpu time spent up to now is 23.0 secs Computing kpt #: 22 total cpu time spent up to now is 23.8 secs Computing kpt #: 23 total cpu time spent up to now is 24.6 secs Computing kpt #: 24 total cpu time spent up to now is 25.4 secs Computing kpt #: 25 total cpu time spent up to now is 26.1 secs Computing kpt #: 26 total cpu time spent up to now is 26.9 secs Computing kpt #: 27 total cpu time spent up to now is 27.7 secs Computing kpt #: 28 total cpu time spent up to now is 28.4 secs Computing kpt #: 29 total cpu time spent up to now is 29.2 secs Computing kpt #: 30 total cpu time spent up to now is 29.9 secs Computing kpt #: 31 total cpu time spent up to now is 30.7 secs Computing kpt #: 32 total cpu time spent up to now is 31.4 secs Computing kpt #: 33 total cpu time spent up to now is 32.1 secs Computing kpt #: 34 total cpu time spent up to now is 32.8 secs Computing kpt #: 35 total cpu time spent up to now is 33.5 secs Computing kpt #: 36 total cpu time spent up to now is 34.3 secs Computing kpt #: 37 total cpu time spent up to now is 34.9 secs Computing kpt #: 38 total cpu time spent up to now is 35.6 secs Computing kpt #: 39 total cpu time spent up to now is 36.3 secs Computing kpt #: 40 total cpu time spent up to now is 37.0 secs Computing kpt #: 41 total cpu time spent up to now is 37.7 secs Computing kpt #: 42 total cpu time spent up to now is 38.5 secs Computing kpt #: 43 total cpu time spent up to now is 39.0 secs Computing kpt #: 44 total cpu time spent up to now is 39.6 secs Computing kpt #: 45 total cpu time spent up to now is 40.2 secs Computing kpt #: 46 total cpu time spent up to now is 40.9 secs Computing kpt #: 47 total cpu time spent up to now is 41.7 secs Computing kpt #: 48 total cpu time spent up to now is 43.0 secs Computing kpt #: 49 total cpu time spent up to now is 44.3 secs Computing kpt #: 50 total cpu time spent up to now is 45.5 secs Computing kpt #: 51 total cpu time spent up to now is 46.3 secs Computing kpt #: 52 total cpu time spent up to now is 47.1 secs Computing kpt #: 53 total cpu time spent up to now is 47.9 secs Computing kpt #: 54 total cpu time spent up to now is 48.6 secs Computing kpt #: 55 total cpu time spent up to now is 49.2 secs Computing kpt #: 56 total cpu time spent up to now is 49.8 secs Computing kpt #: 57 total cpu time spent up to now is 50.4 secs Computing kpt #: 58 total cpu time spent up to now is 51.0 secs Computing kpt #: 59 total cpu time spent up to now is 51.6 secs Computing kpt #: 60 total cpu time spent up to now is 52.2 secs Computing kpt #: 61 total cpu time spent up to now is 52.7 secs Computing kpt #: 62 total cpu time spent up to now is 53.2 secs Computing kpt #: 63 total cpu time spent up to now is 53.7 secs Computing kpt #: 64 total cpu time spent up to now is 54.4 secs Computing kpt #: 65 total cpu time spent up to now is 54.9 secs Computing kpt #: 66 total cpu time spent up to now is 55.6 secs Computing kpt #: 67 total cpu time spent up to now is 56.3 secs Computing kpt #: 68 total cpu time spent up to now is 57.1 secs Computing kpt #: 69 total cpu time spent up to now is 58.5 secs Computing kpt #: 70 total cpu time spent up to now is 59.8 secs Computing kpt #: 71 total cpu time spent up to now is 60.6 secs Computing kpt #: 72 total cpu time spent up to now is 61.3 secs Computing kpt #: 73 total cpu time spent up to now is 62.0 secs Computing kpt #: 74 total cpu time spent up to now is 62.8 secs Computing kpt #: 75 total cpu time spent up to now is 63.4 secs Computing kpt #: 76 total cpu time spent up to now is 64.1 secs Computing kpt #: 77 total cpu time spent up to now is 64.7 secs Computing kpt #: 78 total cpu time spent up to now is 65.3 secs Computing kpt #: 79 total cpu time spent up to now is 65.9 secs Computing kpt #: 80 total cpu time spent up to now is 66.5 secs Computing kpt #: 81 total cpu time spent up to now is 67.1 secs Computing kpt #: 82 total cpu time spent up to now is 67.8 secs Computing kpt #: 83 total cpu time spent up to now is 68.4 secs Computing kpt #: 84 total cpu time spent up to now is 69.1 secs Computing kpt #: 85 total cpu time spent up to now is 69.8 secs Computing kpt #: 86 total cpu time spent up to now is 70.5 secs Computing kpt #: 87 total cpu time spent up to now is 71.3 secs Computing kpt #: 88 total cpu time spent up to now is 72.0 secs Computing kpt #: 89 total cpu time spent up to now is 72.8 secs Computing kpt #: 90 total cpu time spent up to now is 73.6 secs Computing kpt #: 91 total cpu time spent up to now is 74.3 secs Computing kpt #: 92 total cpu time spent up to now is 75.1 secs Computing kpt #: 93 total cpu time spent up to now is 75.9 secs Computing kpt #: 94 total cpu time spent up to now is 76.7 secs Computing kpt #: 95 total cpu time spent up to now is 77.6 secs Computing kpt #: 96 total cpu time spent up to now is 78.5 secs Computing kpt #: 97 total cpu time spent up to now is 79.4 secs Computing kpt #: 98 total cpu time spent up to now is 80.3 secs Computing kpt #: 99 total cpu time spent up to now is 81.2 secs Computing kpt #: 100 total cpu time spent up to now is 82.1 secs Computing kpt #: 101 total cpu time spent up to now is 83.0 secs Computing kpt #: 102 total cpu time spent up to now is 83.9 secs Computing kpt #: 103 total cpu time spent up to now is 84.8 secs Computing kpt #: 104 total cpu time spent up to now is 85.6 secs Computing kpt #: 105 total cpu time spent up to now is 86.5 secs Computing kpt #: 106 total cpu time spent up to now is 87.4 secs Computing kpt #: 107 total cpu time spent up to now is 88.2 secs Computing kpt #: 108 total cpu time spent up to now is 89.2 secs Computing kpt #: 109 total cpu time spent up to now is 90.2 secs Computing kpt #: 110 total cpu time spent up to now is 91.2 secs Computing kpt #: 111 total cpu time spent up to now is 92.1 secs Computing kpt #: 112 total cpu time spent up to now is 93.1 secs Computing kpt #: 113 total cpu time spent up to now is 93.9 secs Computing kpt #: 114 total cpu time spent up to now is 94.8 secs Computing kpt #: 115 total cpu time spent up to now is 95.7 secs Computing kpt #: 116 total cpu time spent up to now is 96.6 secs Computing kpt #: 117 total cpu time spent up to now is 97.4 secs Computing kpt #: 118 total cpu time spent up to now is 98.3 secs Computing kpt #: 119 total cpu time spent up to now is 98.9 secs Computing kpt #: 120 total cpu time spent up to now is 99.7 secs Computing kpt #: 121 total cpu time spent up to now is 100.4 secs Computing kpt #: 122 total cpu time spent up to now is 101.1 secs Computing kpt #: 123 total cpu time spent up to now is 101.9 secs Computing kpt #: 124 total cpu time spent up to now is 102.7 secs Computing kpt #: 125 total cpu time spent up to now is 103.4 secs Computing kpt #: 126 total cpu time spent up to now is 104.2 secs Computing kpt #: 127 total cpu time spent up to now is 104.9 secs Computing kpt #: 128 total cpu time spent up to now is 105.7 secs Computing kpt #: 129 total cpu time spent up to now is 106.4 secs Computing kpt #: 130 total cpu time spent up to now is 107.2 secs Computing kpt #: 131 total cpu time spent up to now is 108.0 secs Computing kpt #: 132 total cpu time spent up to now is 108.8 secs Computing kpt #: 133 total cpu time spent up to now is 109.5 secs Computing kpt #: 134 total cpu time spent up to now is 110.3 secs Computing kpt #: 135 total cpu time spent up to now is 111.1 secs Computing kpt #: 136 total cpu time spent up to now is 112.0 secs Computing kpt #: 137 total cpu time spent up to now is 112.8 secs Computing kpt #: 138 total cpu time spent up to now is 113.5 secs Computing kpt #: 139 total cpu time spent up to now is 114.2 secs Computing kpt #: 140 total cpu time spent up to now is 115.0 secs Computing kpt #: 141 total cpu time spent up to now is 115.7 secs Computing kpt #: 142 total cpu time spent up to now is 116.4 secs Computing kpt #: 143 total cpu time spent up to now is 117.0 secs Computing kpt #: 144 total cpu time spent up to now is 117.7 secs Computing kpt #: 145 total cpu time spent up to now is 118.4 secs Computing kpt #: 146 total cpu time spent up to now is 119.1 secs Computing kpt #: 147 total cpu time spent up to now is 119.8 secs Computing kpt #: 148 total cpu time spent up to now is 120.6 secs Computing kpt #: 149 total cpu time spent up to now is 121.3 secs Computing kpt #: 150 total cpu time spent up to now is 122.0 secs Computing kpt #: 151 total cpu time spent up to now is 122.7 secs Computing kpt #: 152 total cpu time spent up to now is 123.5 secs Computing kpt #: 153 total cpu time spent up to now is 124.4 secs Computing kpt #: 154 total cpu time spent up to now is 125.3 secs Computing kpt #: 155 total cpu time spent up to now is 126.7 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.2 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.7 secs Computing kpt #: 158 total cpu time spent up to now is 130.8 secs Computing kpt #: 159 total cpu time spent up to now is 131.8 secs Computing kpt #: 160 total cpu time spent up to now is 132.5 secs Computing kpt #: 161 total cpu time spent up to now is 133.2 secs Computing kpt #: 162 total cpu time spent up to now is 133.8 secs Computing kpt #: 163 total cpu time spent up to now is 134.5 secs Computing kpt #: 164 total cpu time spent up to now is 135.1 secs Computing kpt #: 165 total cpu time spent up to now is 135.6 secs Computing kpt #: 166 total cpu time spent up to now is 136.2 secs Computing kpt #: 167 total cpu time spent up to now is 136.7 secs Computing kpt #: 168 total cpu time spent up to now is 137.2 secs Computing kpt #: 169 total cpu time spent up to now is 137.7 secs Computing kpt #: 170 total cpu time spent up to now is 138.2 secs Computing kpt #: 171 total cpu time spent up to now is 138.7 secs Computing kpt #: 172 total cpu time spent up to now is 139.2 secs Computing kpt #: 173 total cpu time spent up to now is 139.6 secs Computing kpt #: 174 total cpu time spent up to now is 140.1 secs Computing kpt #: 175 total cpu time spent up to now is 140.5 secs Computing kpt #: 176 total cpu time spent up to now is 141.0 secs Computing kpt #: 177 total cpu time spent up to now is 141.4 secs Computing kpt #: 178 total cpu time spent up to now is 141.9 secs Computing kpt #: 179 total cpu time spent up to now is 142.3 secs Computing kpt #: 180 total cpu time spent up to now is 142.7 secs Computing kpt #: 181 total cpu time spent up to now is 143.1 secs Computing kpt #: 182 total cpu time spent up to now is 143.6 secs Computing kpt #: 183 total cpu time spent up to now is 144.0 secs Computing kpt #: 184 total cpu time spent up to now is 144.4 secs Computing kpt #: 185 total cpu time spent up to now is 144.9 secs Computing kpt #: 186 total cpu time spent up to now is 145.3 secs Computing kpt #: 187 total cpu time spent up to now is 145.7 secs Computing kpt #: 188 total cpu time spent up to now is 146.2 secs Computing kpt #: 189 total cpu time spent up to now is 146.6 secs Computing kpt #: 190 total cpu time spent up to now is 147.0 secs Computing kpt #: 191 total cpu time spent up to now is 147.5 secs Computing kpt #: 192 total cpu time spent up to now is 148.0 secs Computing kpt #: 193 total cpu time spent up to now is 148.5 secs Computing kpt #: 194 total cpu time spent up to now is 149.0 secs Computing kpt #: 195 total cpu time spent up to now is 149.5 secs Computing kpt #: 196 total cpu time spent up to now is 150.0 secs Computing kpt #: 197 total cpu time spent up to now is 150.5 secs Computing kpt #: 198 total cpu time spent up to now is 151.0 secs Computing kpt #: 199 total cpu time spent up to now is 151.5 secs Computing kpt #: 200 total cpu time spent up to now is 152.1 secs Computing kpt #: 201 total cpu time spent up to now is 152.6 secs Computing kpt #: 202 total cpu time spent up to now is 153.2 secs Computing kpt #: 203 total cpu time spent up to now is 153.8 secs Computing kpt #: 204 total cpu time spent up to now is 154.5 secs Computing kpt #: 205 total cpu time spent up to now is 155.2 secs Computing kpt #: 206 total cpu time spent up to now is 155.9 secs Computing kpt #: 207 total cpu time spent up to now is 156.7 secs Computing kpt #: 208 total cpu time spent up to now is 157.4 secs Computing kpt #: 209 total cpu time spent up to now is 158.2 secs Computing kpt #: 210 total cpu time spent up to now is 159.0 secs Computing kpt #: 211 total cpu time spent up to now is 159.9 secs Computing kpt #: 212 total cpu time spent up to now is 160.8 secs Computing kpt #: 213 total cpu time spent up to now is 161.7 secs Computing kpt #: 214 total cpu time spent up to now is 162.5 secs Computing kpt #: 215 total cpu time spent up to now is 163.2 secs Computing kpt #: 216 total cpu time spent up to now is 164.0 secs Computing kpt #: 217 total cpu time spent up to now is 164.7 secs Computing kpt #: 218 total cpu time spent up to now is 165.5 secs Computing kpt #: 219 total cpu time spent up to now is 166.2 secs Computing kpt #: 220 total cpu time spent up to now is 167.0 secs Computing kpt #: 221 total cpu time spent up to now is 167.8 secs Computing kpt #: 222 total cpu time spent up to now is 168.5 secs Computing kpt #: 223 total cpu time spent up to now is 169.3 secs Computing kpt #: 224 total cpu time spent up to now is 170.1 secs Computing kpt #: 225 total cpu time spent up to now is 170.8 secs Computing kpt #: 226 total cpu time spent up to now is 171.6 secs Computing kpt #: 227 total cpu time spent up to now is 172.3 secs Computing kpt #: 228 total cpu time spent up to now is 173.0 secs Computing kpt #: 229 total cpu time spent up to now is 173.7 secs Computing kpt #: 230 total cpu time spent up to now is 174.4 secs Computing kpt #: 231 total cpu time spent up to now is 175.1 secs Computing kpt #: 232 total cpu time spent up to now is 175.8 secs Computing kpt #: 233 total cpu time spent up to now is 176.5 secs Computing kpt #: 234 total cpu time spent up to now is 177.2 secs Computing kpt #: 235 total cpu time spent up to now is 178.0 secs Computing kpt #: 236 total cpu time spent up to now is 178.7 secs Computing kpt #: 237 total cpu time spent up to now is 179.5 secs Computing kpt #: 238 total cpu time spent up to now is 180.3 secs Computing kpt #: 239 total cpu time spent up to now is 181.0 secs Computing kpt #: 240 total cpu time spent up to now is 181.7 secs Computing kpt #: 241 total cpu time spent up to now is 182.3 secs Computing kpt #: 242 total cpu time spent up to now is 183.0 secs Computing kpt #: 243 total cpu time spent up to now is 183.8 secs Computing kpt #: 244 total cpu time spent up to now is 184.5 secs Computing kpt #: 245 total cpu time spent up to now is 185.1 secs Computing kpt #: 246 total cpu time spent up to now is 185.8 secs Computing kpt #: 247 total cpu time spent up to now is 186.4 secs Computing kpt #: 248 total cpu time spent up to now is 187.0 secs Computing kpt #: 249 total cpu time spent up to now is 187.8 secs Computing kpt #: 250 total cpu time spent up to now is 188.7 secs Computing kpt #: 251 total cpu time spent up to now is 189.5 secs Computing kpt #: 252 total cpu time spent up to now is 190.3 secs Computing kpt #: 253 total cpu time spent up to now is 191.1 secs Computing kpt #: 254 total cpu time spent up to now is 191.8 secs Computing kpt #: 255 total cpu time spent up to now is 192.5 secs Computing kpt #: 256 total cpu time spent up to now is 193.2 secs Computing kpt #: 257 total cpu time spent up to now is 193.9 secs Computing kpt #: 258 total cpu time spent up to now is 194.6 secs Computing kpt #: 259 total cpu time spent up to now is 195.3 secs Computing kpt #: 260 total cpu time spent up to now is 196.0 secs Computing kpt #: 261 total cpu time spent up to now is 196.7 secs Computing kpt #: 262 total cpu time spent up to now is 197.1 secs Computing kpt #: 263 total cpu time spent up to now is 197.5 secs Computing kpt #: 264 total cpu time spent up to now is 197.9 secs Computing kpt #: 265 total cpu time spent up to now is 198.4 secs Computing kpt #: 266 total cpu time spent up to now is 198.8 secs Computing kpt #: 267 total cpu time spent up to now is 199.2 secs Computing kpt #: 268 total cpu time spent up to now is 199.7 secs Computing kpt #: 269 total cpu time spent up to now is 200.1 secs Computing kpt #: 270 total cpu time spent up to now is 200.5 secs Computing kpt #: 271 total cpu time spent up to now is 201.0 secs Computing kpt #: 272 total cpu time spent up to now is 201.4 secs Computing kpt #: 273 total cpu time spent up to now is 201.9 secs Computing kpt #: 274 total cpu time spent up to now is 202.4 secs Computing kpt #: 275 total cpu time spent up to now is 202.8 secs Computing kpt #: 276 total cpu time spent up to now is 203.3 secs Computing kpt #: 277 total cpu time spent up to now is 203.8 secs Computing kpt #: 278 total cpu time spent up to now is 204.3 secs Computing kpt #: 279 total cpu time spent up to now is 204.8 secs Computing kpt #: 280 total cpu time spent up to now is 205.4 secs Computing kpt #: 281 total cpu time spent up to now is 206.0 secs Computing kpt #: 282 total cpu time spent up to now is 206.6 secs Computing kpt #: 283 total cpu time spent up to now is 207.2 secs Computing kpt #: 284 total cpu time spent up to now is 207.8 secs Computing kpt #: 285 total cpu time spent up to now is 208.8 secs Computing kpt #: 286 total cpu time spent up to now is 210.0 secs Computing kpt #: 287 total cpu time spent up to now is 210.9 secs Computing kpt #: 288 total cpu time spent up to now is 211.9 secs Computing kpt #: 289 total cpu time spent up to now is 212.8 secs Computing kpt #: 290 total cpu time spent up to now is 214.0 secs Computing kpt #: 291 total cpu time spent up to now is 215.0 secs Computing kpt #: 292 total cpu time spent up to now is 216.3 secs Computing kpt #: 293 total cpu time spent up to now is 217.5 secs Computing kpt #: 294 total cpu time spent up to now is 218.7 secs Computing kpt #: 295 total cpu time spent up to now is 220.0 secs Computing kpt #: 296 total cpu time spent up to now is 221.0 secs Computing kpt #: 297 total cpu time spent up to now is 221.9 secs Computing kpt #: 298 total cpu time spent up to now is 222.8 secs Computing kpt #: 299 total cpu time spent up to now is 223.7 secs Computing kpt #: 300 total cpu time spent up to now is 224.6 secs Computing kpt #: 301 total cpu time spent up to now is 225.5 secs Computing kpt #: 302 total cpu time spent up to now is 226.4 secs Computing kpt #: 303 total cpu time spent up to now is 227.2 secs Computing kpt #: 304 total cpu time spent up to now is 228.1 secs Computing kpt #: 305 total cpu time spent up to now is 229.0 secs Computing kpt #: 306 total cpu time spent up to now is 229.8 secs Computing kpt #: 307 total cpu time spent up to now is 230.7 secs ethr = 2.27E-08, avg # of iterations = 42.9 total cpu time spent up to now is 230.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0733 -8.0733 -2.3507 -2.3507 -1.8097 -1.8097 -0.5495 -0.5495 -0.5410 -0.5410 -0.4437 -0.4437 -0.2580 -0.2580 0.1602 0.1602 0.2178 0.2178 0.3073 0.3073 0.4299 0.4299 0.5225 0.5225 0.6999 0.6999 3.8341 3.8341 7.3381 7.3381 7.3672 7.3672 8.3740 8.3740 8.4927 8.4927 8.5279 8.5279 9.3062 9.3062 9.5519 9.5519 11.0085 11.0085 11.4691 11.4691 k = 0.0119 0.0069-0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0734 -8.0734 -2.3499 -2.3499 -1.8097 -1.8097 -0.5492 -0.5492 -0.5408 -0.5408 -0.4437 -0.4437 -0.2578 -0.2578 0.1603 0.1603 0.2175 0.2175 0.3075 0.3075 0.4302 0.4302 0.5223 0.5223 0.7003 0.7003 3.8357 3.8357 7.3315 7.3315 7.3619 7.3619 8.3744 8.3744 8.4791 8.4791 8.5175 8.5175 9.3241 9.3241 9.5577 9.5577 11.0116 11.0116 11.4747 11.4747 k = 0.0238 0.0137-0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2719 -9.2719 -8.1873 -8.1873 -8.0740 -8.0740 -2.3473 -2.3473 -1.8094 -1.8094 -0.5485 -0.5485 -0.5403 -0.5403 -0.4438 -0.4438 -0.2574 -0.2574 0.1606 0.1606 0.2164 0.2164 0.3079 0.3079 0.4312 0.4312 0.5215 0.5215 0.7015 0.7015 3.8406 3.8406 7.3059 7.3059 7.3527 7.3527 8.3730 8.3730 8.4302 8.4302 8.5019 8.5019 9.3723 9.3723 9.5753 9.5753 11.0207 11.0207 11.4910 11.4911 k = 0.0357 0.0206-0.0000 ( 3395 PWs) bands (ev): -26.4448 -26.4448 -9.2722 -9.2722 -8.1874 -8.1874 -8.0749 -8.0749 -2.3430 -2.3430 -1.8091 -1.8091 -0.5472 -0.5472 -0.5394 -0.5394 -0.4438 -0.4438 -0.2566 -0.2566 0.1612 0.1612 0.2148 0.2148 0.3085 0.3085 0.4328 0.4328 0.5203 0.5203 0.7034 0.7034 3.8488 3.8488 7.2586 7.2586 7.3445 7.3445 8.3309 8.3309 8.3893 8.3893 8.4855 8.4855 9.4396 9.4396 9.6051 9.6051 11.0353 11.0353 11.5178 11.5178 k = 0.0476 0.0275-0.0000 ( 3399 PWs) bands (ev): -26.4447 -26.4447 -9.2726 -9.2726 -8.1875 -8.1875 -8.0762 -8.0762 -2.3370 -2.3370 -1.8086 -1.8086 -0.5453 -0.5453 -0.5382 -0.5382 -0.4439 -0.4439 -0.2556 -0.2556 0.1620 0.1620 0.2127 0.2127 0.3093 0.3093 0.4349 0.4349 0.5186 0.5186 0.7061 0.7061 3.8603 3.8603 7.1943 7.1943 7.3355 7.3355 8.2316 8.2316 8.3833 8.3833 8.4653 8.4653 9.5154 9.5154 9.6484 9.6484 11.0550 11.0550 11.5539 11.5539 k = 0.0595 0.0344-0.0000 ( 3403 PWs) bands (ev): -26.4446 -26.4446 -9.2731 -9.2731 -8.1877 -8.1877 -8.0778 -8.0778 -2.3293 -2.3293 -1.8081 -1.8081 -0.5430 -0.5430 -0.5366 -0.5366 -0.4441 -0.4441 -0.2543 -0.2543 0.1630 0.1630 0.2102 0.2102 0.3102 0.3102 0.4375 0.4375 0.5165 0.5165 0.7098 0.7098 3.8749 3.8749 7.1168 7.1168 7.3248 7.3248 8.1170 8.1170 8.3758 8.3758 8.4410 8.4410 9.5908 9.5908 9.7070 9.7070 11.0789 11.0789 11.5984 11.5984 k = 0.0714 0.0412-0.0000 ( 3405 PWs) bands (ev): -26.4445 -26.4445 -9.2738 -9.2738 -8.1879 -8.1879 -8.0798 -8.0798 -2.3201 -2.3201 -1.8074 -1.8074 -0.5401 -0.5401 -0.5347 -0.5347 -0.4442 -0.4442 -0.2526 -0.2526 0.1642 0.1642 0.2076 0.2076 0.3110 0.3110 0.4404 0.4404 0.5140 0.5140 0.7143 0.7143 3.8927 3.8927 7.0291 7.0291 7.3122 7.3122 7.9944 7.9944 8.3622 8.3622 8.4130 8.4130 9.6607 9.6607 9.7810 9.7810 11.1063 11.1063 11.6498 11.6498 k = 0.0833 0.0481-0.0000 ( 3405 PWs) bands (ev): -26.4443 -26.4443 -9.2745 -9.2745 -8.1882 -8.1882 -8.0820 -8.0820 -2.3093 -2.3093 -1.8066 -1.8066 -0.5367 -0.5367 -0.5324 -0.5324 -0.4443 -0.4443 -0.2506 -0.2506 0.1657 0.1657 0.2050 0.2050 0.3117 0.3117 0.4435 0.4435 0.5111 0.5111 0.7197 0.7197 3.9135 3.9135 6.9335 6.9335 7.2975 7.2975 7.8670 7.8670 8.3412 8.3412 8.3820 8.3820 9.7259 9.7259 9.8662 9.8662 11.1368 11.1368 11.7070 11.7070 k = 0.0952 0.0550-0.0000 ( 3407 PWs) bands (ev): -26.4441 -26.4441 -9.2754 -9.2754 -8.1885 -8.1885 -8.0846 -8.0846 -2.2970 -2.2970 -1.8057 -1.8057 -0.5329 -0.5329 -0.5296 -0.5296 -0.4443 -0.4443 -0.2483 -0.2483 0.1673 0.1673 0.2024 0.2024 0.3122 0.3122 0.4465 0.4465 0.5081 0.5081 0.7261 0.7261 3.9373 3.9373 6.8316 6.8316 7.2809 7.2809 7.7369 7.7369 8.3125 8.3125 8.3485 8.3485 9.7888 9.7888 9.9565 9.9565 11.1698 11.1698 11.7689 11.7689 k = 0.1071 0.0619-0.0000 ( 3399 PWs) bands (ev): -26.4439 -26.4439 -9.2764 -9.2764 -8.1888 -8.1888 -8.0874 -8.0874 -2.2834 -2.2834 -1.8047 -1.8047 -0.5291 -0.5291 -0.5260 -0.5260 -0.4443 -0.4443 -0.2456 -0.2456 0.1690 0.1690 0.2002 0.2002 0.3126 0.3126 0.4492 0.4492 0.5051 0.5051 0.7335 0.7335 3.9640 3.9640 6.7248 6.7248 7.2623 7.2623 7.6055 7.6055 8.2773 8.2773 8.3125 8.3125 9.8508 9.8508 10.0474 10.0474 11.2053 11.2053 11.8345 11.8345 k = 0.1190 0.0687-0.0000 ( 3403 PWs) bands (ev): -26.4437 -26.4437 -9.2775 -9.2775 -8.1892 -8.1892 -8.0904 -8.0904 -2.2684 -2.2684 -1.8037 -1.8037 -0.5255 -0.5255 -0.5213 -0.5213 -0.4443 -0.4443 -0.2427 -0.2427 0.1709 0.1709 0.1983 0.1983 0.3127 0.3127 0.4514 0.4514 0.5022 0.5022 0.7419 0.7419 3.9934 3.9934 6.6142 6.6142 7.2417 7.2417 7.4740 7.4740 8.2371 8.2371 8.2734 8.2734 9.9123 9.9123 10.1353 10.1353 11.2436 11.2436 11.9027 11.9027 k = 0.1310 0.0756-0.0000 ( 3409 PWs) bands (ev): -26.4435 -26.4435 -9.2786 -9.2786 -8.1897 -8.1897 -8.0936 -8.0936 -2.2522 -2.2522 -1.8026 -1.8026 -0.5220 -0.5220 -0.5157 -0.5157 -0.4441 -0.4441 -0.2394 -0.2394 0.1729 0.1729 0.1969 0.1969 0.3126 0.3126 0.4527 0.4527 0.4999 0.4999 0.7513 0.7513 4.0255 4.0255 6.5003 6.5003 7.2187 7.2187 7.3439 7.3439 8.1933 8.1933 8.2309 8.2309 9.9729 9.9729 10.2168 10.2168 11.2856 11.2856 11.9715 11.9715 k = 0.1429 0.0825-0.0000 ( 3401 PWs) bands (ev): -26.4432 -26.4432 -9.2799 -9.2799 -8.1903 -8.1903 -8.0970 -8.0970 -2.2349 -2.2349 -1.8015 -1.8015 -0.5184 -0.5184 -0.5094 -0.5094 -0.4437 -0.4437 -0.2357 -0.2357 0.1749 0.1749 0.1962 0.1962 0.3123 0.3123 0.4527 0.4527 0.4983 0.4983 0.7616 0.7616 4.0600 4.0600 6.3840 6.3840 7.1856 7.1856 7.2237 7.2237 8.1470 8.1470 8.1852 8.1852 10.0325 10.0325 10.2887 10.2887 11.3330 11.3330 12.0359 12.0359 k = 0.1548 0.0894-0.0000 ( 3408 PWs) bands (ev): -26.4429 -26.4429 -9.2813 -9.2813 -8.1910 -8.1910 -8.1004 -8.1004 -2.2166 -2.2166 -1.8003 -1.8003 -0.5147 -0.5147 -0.5026 -0.5026 -0.4431 -0.4431 -0.2316 -0.2316 0.1769 0.1769 0.1962 0.1962 0.3118 0.3118 0.4513 0.4513 0.4978 0.4978 0.7729 0.7729 4.0969 4.0969 6.2656 6.2656 7.0800 7.0800 7.1764 7.1764 8.0988 8.0988 8.1365 8.1365 10.0907 10.0907 10.3479 10.3479 11.3875 11.3875 12.0790 12.0790 k = 0.1667 0.0962-0.0000 ( 3398 PWs) bands (ev): -26.4426 -26.4426 -9.2827 -9.2827 -8.1918 -8.1918 -8.1040 -8.1040 -2.1974 -2.1974 -1.7992 -1.7992 -0.5109 -0.5109 -0.4954 -0.4954 -0.4420 -0.4420 -0.2272 -0.2272 0.1789 0.1789 0.1971 0.1971 0.3111 0.3111 0.4484 0.4484 0.4983 0.4983 0.7850 0.7850 4.1359 4.1359 6.1456 6.1456 6.9563 6.9563 7.1485 7.1485 8.0489 8.0489 8.0857 8.0857 10.1469 10.1469 10.3927 10.3927 11.4509 11.4509 12.0960 12.0960 k = 0.1786 0.1031-0.0000 ( 3396 PWs) bands (ev): -26.4423 -26.4423 -9.2842 -9.2842 -8.1927 -8.1927 -8.1075 -8.1075 -2.1775 -2.1775 -1.7981 -1.7981 -0.5069 -0.5069 -0.4880 -0.4880 -0.4404 -0.4404 -0.2224 -0.2224 0.1808 0.1808 0.1988 0.1988 0.3102 0.3102 0.4443 0.4443 0.4997 0.4997 0.7978 0.7978 4.1767 4.1767 6.0244 6.0244 6.8345 6.8345 7.1207 7.1207 7.9975 7.9975 8.0333 8.0333 10.2002 10.2002 10.4230 10.4230 11.5239 11.5239 12.1120 12.1120 k = 0.1905 0.1100-0.0000 ( 3398 PWs) bands (ev): -26.4420 -26.4420 -9.2858 -9.2858 -8.1938 -8.1938 -8.1111 -8.1111 -2.1570 -2.1570 -1.7970 -1.7970 -0.5028 -0.5028 -0.4807 -0.4807 -0.4380 -0.4380 -0.2172 -0.2172 0.1827 0.1827 0.2014 0.2014 0.3092 0.3092 0.4393 0.4393 0.5017 0.5017 0.8114 0.8114 4.2193 4.2193 5.9022 5.9022 6.7160 6.7160 7.0921 7.0921 7.9444 7.9444 7.9804 7.9804 10.2484 10.2484 10.4419 10.4419 11.6055 11.6055 12.1340 12.1340 k = 0.2024 0.1168-0.0000 ( 3398 PWs) bands (ev): -26.4417 -26.4417 -9.2875 -9.2875 -8.1950 -8.1950 -8.1146 -8.1146 -2.1360 -2.1360 -1.7959 -1.7959 -0.4986 -0.4986 -0.4740 -0.4740 -0.4342 -0.4342 -0.2116 -0.2116 0.1846 0.1846 0.2049 0.2049 0.3080 0.3080 0.4338 0.4338 0.5041 0.5041 0.8256 0.8256 4.2631 4.2631 5.7795 5.7795 6.6012 6.6012 7.0627 7.0627 7.8893 7.8893 7.9279 7.9279 10.2870 10.2870 10.4560 10.4560 11.6935 11.6935 12.1617 12.1617 k = 0.2143 0.1237-0.0000 ( 3406 PWs) bands (ev): -26.4414 -26.4414 -9.2892 -9.2892 -8.1964 -8.1964 -8.1180 -8.1180 -2.1147 -2.1147 -1.7949 -1.7949 -0.4944 -0.4944 -0.4682 -0.4682 -0.4288 -0.4288 -0.2056 -0.2056 0.1867 0.1867 0.2092 0.2092 0.3066 0.3066 0.4278 0.4278 0.5067 0.5067 0.8402 0.8402 4.3079 4.3079 5.6566 5.6566 6.4908 6.4908 7.0327 7.0327 7.8321 7.8321 7.8765 7.8765 10.3082 10.3082 10.4755 10.4755 11.7846 11.7846 12.1938 12.1938 k = 0.2262 0.1306-0.0000 ( 3414 PWs) bands (ev): -26.4410 -26.4410 -9.2910 -9.2910 -8.1980 -8.1980 -8.1212 -8.1212 -2.0932 -2.0932 -1.7938 -1.7938 -0.4902 -0.4902 -0.4637 -0.4637 -0.4214 -0.4214 -0.1991 -0.1991 0.1888 0.1888 0.2144 0.2144 0.3052 0.3052 0.4217 0.4217 0.5095 0.5095 0.8552 0.8552 4.3533 4.3533 5.5340 5.5340 6.3851 6.3851 7.0023 7.0023 7.7729 7.7729 7.8267 7.8267 10.3080 10.3080 10.5075 10.5075 11.8746 11.8746 12.2285 12.2285 k = 0.2381 0.1375-0.0000 ( 3414 PWs) bands (ev): -26.4407 -26.4407 -9.2928 -9.2928 -8.1998 -8.1998 -8.1242 -8.1242 -2.0718 -2.0718 -1.7929 -1.7929 -0.4861 -0.4861 -0.4603 -0.4603 -0.4123 -0.4123 -0.1922 -0.1922 0.1910 0.1910 0.2206 0.2206 0.3037 0.3037 0.4156 0.4156 0.5124 0.5124 0.8705 0.8705 4.3987 4.3987 5.4121 5.4121 6.2844 6.2844 6.9715 6.9715 7.7122 7.7122 7.7785 7.7785 10.2910 10.2910 10.5496 10.5496 11.9591 11.9591 12.2642 12.2642 k = 0.2500 0.1443-0.0000 ( 3416 PWs) bands (ev): -26.4403 -26.4403 -9.2946 -9.2946 -8.2018 -8.2018 -8.1271 -8.1271 -2.0505 -2.0505 -1.7919 -1.7919 -0.4821 -0.4821 -0.4577 -0.4577 -0.4019 -0.4019 -0.1849 -0.1849 0.1932 0.1932 0.2276 0.2276 0.3022 0.3022 0.4096 0.4096 0.5156 0.5156 0.8858 0.8858 4.4433 4.4433 5.2915 5.2915 6.1894 6.1894 6.9405 6.9405 7.6504 7.6504 7.7319 7.7319 10.2641 10.2641 10.5967 10.5967 12.0337 12.0337 12.2999 12.2999 k = 0.2619 0.1512-0.0000 ( 3418 PWs) bands (ev): -26.4400 -26.4400 -9.2965 -9.2965 -8.2039 -8.2039 -8.1297 -8.1297 -2.0295 -2.0295 -1.7909 -1.7909 -0.4782 -0.4782 -0.4556 -0.4556 -0.3906 -0.3906 -0.1771 -0.1771 0.1953 0.1953 0.2355 0.2355 0.3008 0.3008 0.4038 0.4038 0.5189 0.5189 0.9010 0.9010 4.4862 4.4862 5.1731 5.1731 6.1005 6.1005 6.9096 6.9096 7.5878 7.5878 7.6869 7.6869 10.2317 10.2317 10.6460 10.6460 12.0938 12.0938 12.3353 12.3353 k = 0.2738 0.1581-0.0000 ( 3402 PWs) bands (ev): -26.4397 -26.4397 -9.2983 -9.2983 -8.2062 -8.2062 -8.1320 -8.1320 -2.0090 -2.0090 -1.7899 -1.7899 -0.4745 -0.4745 -0.4537 -0.4537 -0.3787 -0.3787 -0.1688 -0.1688 0.1973 0.1973 0.2442 0.2442 0.2997 0.2997 0.3986 0.3986 0.5225 0.5225 0.9161 0.9161 4.5258 4.5258 5.0581 5.0581 6.0184 6.0184 6.8788 6.8788 7.5248 7.5248 7.6437 7.6437 10.1966 10.1966 10.6957 10.6957 12.1353 12.1353 12.3715 12.3715 k = 0.2857 0.1650-0.0000 ( 3400 PWs) bands (ev): -26.4393 -26.4393 -9.3002 -9.3002 -8.2087 -8.2087 -8.1341 -8.1341 -1.9891 -1.9891 -1.7889 -1.7889 -0.4711 -0.4711 -0.4519 -0.4519 -0.3665 -0.3665 -0.1602 -0.1602 0.1992 0.1992 0.2531 0.2531 0.2992 0.2992 0.3940 0.3940 0.5265 0.5265 0.9308 0.9308 4.5592 4.5592 4.9488 4.9488 5.9438 5.9438 6.8483 6.8483 7.4616 7.4616 7.6021 7.6021 10.1603 10.1603 10.7451 10.7451 12.1560 12.1560 12.4098 12.4098 k = 0.2976 0.1718-0.0000 ( 3404 PWs) bands (ev): -26.4390 -26.4390 -9.3021 -9.3021 -8.2113 -8.2113 -8.1360 -8.1360 -1.9701 -1.9701 -1.7877 -1.7877 -0.4681 -0.4681 -0.4501 -0.4501 -0.3544 -0.3544 -0.1511 -0.1511 0.2008 0.2008 0.2614 0.2614 0.3000 0.3000 0.3902 0.3902 0.5309 0.5309 0.9448 0.9448 4.5798 4.5798 4.8514 4.8514 5.8777 5.8777 6.8184 6.8184 7.3984 7.3984 7.5624 7.5624 10.1238 10.1238 10.7936 10.7936 12.1564 12.1564 12.4508 12.4508 k = 0.3095 0.1787-0.0000 ( 3412 PWs) bands (ev): -26.4387 -26.4387 -9.3039 -9.3039 -8.2140 -8.2140 -8.1376 -8.1376 -1.9519 -1.9519 -1.7864 -1.7864 -0.4653 -0.4653 -0.4482 -0.4482 -0.3424 -0.3424 -0.1417 -0.1417 0.2022 0.2022 0.2678 0.2678 0.3030 0.3030 0.3877 0.3877 0.5360 0.5360 0.9581 0.9581 4.5715 4.5715 4.7811 4.7811 5.8210 5.8210 6.7892 6.7892 7.3354 7.3354 7.5246 7.5246 10.0880 10.0880 10.8408 10.8408 12.1392 12.1392 12.4940 12.4940 k = 0.3214 0.1856-0.0000 ( 3412 PWs) bands (ev): -26.4384 -26.4384 -9.3057 -9.3057 -8.2167 -8.2167 -8.1390 -8.1390 -1.9349 -1.9349 -1.7849 -1.7849 -0.4629 -0.4629 -0.4463 -0.4463 -0.3308 -0.3308 -0.1321 -0.1321 0.2033 0.2033 0.2711 0.2711 0.3088 0.3088 0.3871 0.3871 0.5421 0.5421 0.9703 0.9703 4.5180 4.5180 4.7535 4.7535 5.7749 5.7749 6.7608 6.7608 7.2727 7.2727 7.4888 7.4888 10.0533 10.0533 10.8863 10.8863 12.1084 12.1084 12.5390 12.5390 k = 0.3333 0.1925-0.0000 ( 3422 PWs) bands (ev): -26.4381 -26.4381 -9.3074 -9.3074 -8.2195 -8.2195 -8.1402 -8.1402 -1.9192 -1.9192 -1.7831 -1.7831 -0.4608 -0.4608 -0.4443 -0.4443 -0.3196 -0.3196 -0.1223 -0.1223 0.2043 0.2043 0.2716 0.2716 0.3158 0.3158 0.3889 0.3889 0.5494 0.5494 0.9814 0.9814 4.4354 4.4354 4.7519 4.7519 5.7405 5.7405 6.7334 6.7334 7.2105 7.2105 7.4550 7.4550 10.0201 10.0201 10.9299 10.9299 12.0674 12.0674 12.5856 12.5856 k = 0.3452 0.1993-0.0000 ( 3424 PWs) bands (ev): -26.4378 -26.4378 -9.3091 -9.3091 -8.2223 -8.2223 -8.1412 -8.1412 -1.9049 -1.9049 -1.7810 -1.7810 -0.4590 -0.4590 -0.4423 -0.4423 -0.3091 -0.3091 -0.1125 -0.1125 0.2050 0.2050 0.2705 0.2705 0.3223 0.3223 0.3938 0.3938 0.5585 0.5585 0.9910 0.9910 4.3443 4.3443 4.7553 4.7553 5.7183 5.7183 6.7072 6.7072 7.1489 7.1489 7.4233 7.4233 9.9886 9.9886 10.9713 10.9713 12.0195 12.0195 12.6339 12.6339 k = 0.3571 0.2062-0.0000 ( 3428 PWs) bands (ev): -26.4375 -26.4375 -9.3107 -9.3107 -8.2250 -8.2250 -8.1420 -8.1420 -1.8921 -1.8921 -1.7784 -1.7784 -0.4574 -0.4574 -0.4403 -0.4403 -0.2992 -0.2992 -0.1028 -0.1028 0.2056 0.2056 0.2684 0.2684 0.3268 0.3268 0.4018 0.4018 0.5697 0.5697 0.9989 0.9989 4.2528 4.2528 4.7558 4.7558 5.7087 5.7087 6.6823 6.6823 7.0880 7.0880 7.3938 7.3938 9.9590 9.9590 11.0105 11.0105 11.9674 11.9674 12.6840 12.6840 k = 0.3690 0.2131-0.0000 ( 3432 PWs) bands (ev): -26.4372 -26.4372 -9.3122 -9.3122 -8.2276 -8.2276 -8.1427 -8.1427 -1.8810 -1.8810 -1.7753 -1.7753 -0.4560 -0.4560 -0.4385 -0.4385 -0.2900 -0.2900 -0.0933 -0.0933 0.2060 0.2060 0.2657 0.2657 0.3294 0.3294 0.4119 0.4119 0.5837 0.5837 1.0048 1.0048 4.1642 4.1642 4.7510 4.7510 5.7109 5.7109 6.6589 6.6589 7.0279 7.0279 7.3665 7.3665 9.9316 9.9316 11.0471 11.0471 11.9133 11.9133 12.7362 12.7362 k = 0.3810 0.2199-0.0000 ( 3436 PWs) bands (ev): -26.4370 -26.4370 -9.3137 -9.3137 -8.2301 -8.2301 -8.1433 -8.1433 -1.8715 -1.8715 -1.7718 -1.7718 -0.4547 -0.4547 -0.4368 -0.4368 -0.2816 -0.2816 -0.0842 -0.0842 0.2064 0.2064 0.2626 0.2626 0.3306 0.3306 0.4226 0.4226 0.6008 0.6008 1.0086 1.0086 4.0801 4.0801 4.7409 4.7409 5.7238 5.7238 6.6370 6.6370 6.9689 6.9689 7.3415 7.3415 9.9063 9.9063 11.0813 11.0813 11.8591 11.8591 12.7906 12.7906 k = 0.3929 0.2268-0.0000 ( 3440 PWs) bands (ev): -26.4368 -26.4368 -9.3150 -9.3150 -8.2324 -8.2324 -8.1438 -8.1438 -1.8636 -1.8636 -1.7678 -1.7678 -0.4535 -0.4535 -0.4353 -0.4353 -0.2739 -0.2739 -0.0756 -0.0756 0.2068 0.2068 0.2593 0.2593 0.3309 0.3309 0.4329 0.4329 0.6213 0.6213 1.0099 1.0099 4.0014 4.0014 4.7267 4.7267 5.7456 5.7456 6.6168 6.6168 6.9110 6.9110 7.3187 7.3187 9.8832 9.8832 11.1128 11.1128 11.8062 11.8062 12.8472 12.8472 k = 0.4048 0.2337-0.0000 ( 3444 PWs) bands (ev): -26.4366 -26.4366 -9.3162 -9.3162 -8.2346 -8.2346 -8.1442 -8.1442 -1.8573 -1.8573 -1.7636 -1.7636 -0.4525 -0.4525 -0.4339 -0.4339 -0.2671 -0.2671 -0.0676 -0.0676 0.2072 0.2072 0.2557 0.2557 0.3309 0.3309 0.4419 0.4419 0.6451 0.6451 1.0086 1.0086 3.9289 3.9289 4.7096 4.7096 5.7745 5.7745 6.5985 6.5985 6.8546 6.8546 7.2983 7.2983 9.8625 9.8625 11.1417 11.1417 11.7557 11.7557 12.9059 12.9059 k = 0.4167 0.2406-0.0000 ( 3442 PWs) bands (ev): -26.4364 -26.4364 -9.3173 -9.3173 -8.2365 -8.2365 -8.1445 -8.1445 -1.8523 -1.8523 -1.7593 -1.7593 -0.4515 -0.4515 -0.4328 -0.4328 -0.2610 -0.2610 -0.0602 -0.0602 0.2077 0.2077 0.2521 0.2521 0.3306 0.3306 0.4494 0.4494 0.6717 0.6717 1.0045 1.0045 3.8633 3.8633 4.6912 4.6912 5.8082 5.8082 6.5821 6.5821 6.8001 6.8001 7.2802 7.2802 9.8441 9.8441 11.1678 11.1678 11.7086 11.7086 12.9668 12.9668 k = 0.4286 0.2474-0.0000 ( 3436 PWs) bands (ev): -26.4362 -26.4362 -9.3183 -9.3183 -8.2383 -8.2383 -8.1447 -8.1447 -1.8485 -1.8485 -1.7550 -1.7550 -0.4507 -0.4507 -0.4318 -0.4318 -0.2557 -0.2557 -0.0537 -0.0537 0.2084 0.2084 0.2485 0.2485 0.3303 0.3303 0.4555 0.4555 0.7004 0.7004 0.9974 0.9974 3.8051 3.8051 4.6727 4.6727 5.8450 5.8450 6.5677 6.5677 6.7479 6.7479 7.2645 7.2645 9.8281 9.8281 11.1913 11.1913 11.6656 11.6656 13.0297 13.0297 k = 0.4405 0.2543-0.0000 ( 3436 PWs) bands (ev): -26.4361 -26.4361 -9.3191 -9.3191 -8.2398 -8.2398 -8.1449 -8.1449 -1.8456 -1.8456 -1.7511 -1.7511 -0.4499 -0.4499 -0.4310 -0.4310 -0.2513 -0.2513 -0.0481 -0.0481 0.2092 0.2092 0.2450 0.2450 0.3300 0.3300 0.4603 0.4603 0.7305 0.7305 0.9873 0.9873 3.7549 3.7549 4.6554 4.6554 5.8827 5.8827 6.5554 6.5554 6.6989 6.6989 7.2511 7.2511 9.8145 9.8145 11.2119 11.2119 11.6275 11.6275 13.0944 13.0944 k = 0.4524 0.2612-0.0000 ( 3438 PWs) bands (ev): -26.4360 -26.4360 -9.3198 -9.3198 -8.2410 -8.2410 -8.1450 -8.1450 -1.8435 -1.8435 -1.7476 -1.7476 -0.4493 -0.4493 -0.4304 -0.4304 -0.2476 -0.2476 -0.0434 -0.0434 0.2102 0.2102 0.2416 0.2416 0.3298 0.3298 0.4640 0.4640 0.7611 0.7611 0.9742 0.9742 3.7132 3.7132 4.6401 4.6401 5.9194 5.9194 6.5453 6.5453 6.6541 6.6541 7.2402 7.2402 9.8033 9.8033 11.2297 11.2297 11.5948 11.5948 13.1605 13.1605 k = 0.4643 0.2681-0.0000 ( 3438 PWs) bands (ev): -26.4359 -26.4359 -9.3204 -9.3204 -8.2420 -8.2420 -8.1452 -8.1452 -1.8420 -1.8420 -1.7448 -1.7448 -0.4488 -0.4488 -0.4299 -0.4299 -0.2448 -0.2448 -0.0397 -0.0397 0.2112 0.2112 0.2387 0.2387 0.3296 0.3296 0.4667 0.4667 0.7913 0.7913 0.9583 0.9583 3.6803 3.6803 4.6276 4.6276 5.9525 5.9525 6.5376 6.5376 6.6152 6.6152 7.2317 7.2317 9.7946 9.7946 11.2442 11.2442 11.5682 11.5682 13.2275 13.2275 k = 0.4762 0.2749-0.0000 ( 3438 PWs) bands (ev): -26.4358 -26.4358 -9.3208 -9.3208 -8.2427 -8.2427 -8.1452 -8.1452 -1.8410 -1.8410 -1.7427 -1.7427 -0.4484 -0.4484 -0.4296 -0.4296 -0.2427 -0.2427 -0.0370 -0.0370 0.2122 0.2122 0.2362 0.2362 0.3294 0.3294 0.4685 0.4685 0.8198 0.8198 0.9405 0.9405 3.6566 3.6566 4.6182 4.6182 5.9795 5.9795 6.5323 6.5323 6.5842 6.5842 7.2256 7.2256 9.7884 9.7884 11.2553 11.2553 11.5484 11.5484 13.2942 13.2942 k = 0.4881 0.2818-0.0000 ( 3446 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2431 -8.2431 -8.1453 -8.1453 -1.8404 -1.8404 -1.7414 -1.7414 -0.4482 -0.4482 -0.4294 -0.4294 -0.2415 -0.2415 -0.0354 -0.0354 0.2129 0.2129 0.2346 0.2346 0.3293 0.3293 0.4696 0.4696 0.8440 0.8440 0.9228 0.9228 3.6422 3.6422 4.6125 4.6125 5.9973 5.9973 6.5296 6.5296 6.5637 6.5637 7.2219 7.2219 9.7846 9.7846 11.2622 11.2622 11.5361 11.5361 13.3559 13.3559 k = 0.5000 0.2887-0.0000 ( 3446 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2433 -8.2433 -8.1453 -8.1453 -1.8402 -1.8402 -1.7410 -1.7410 -0.4481 -0.4481 -0.4294 -0.4294 -0.2411 -0.2411 -0.0349 -0.0349 0.2132 0.2132 0.2340 0.2340 0.3293 0.3293 0.4699 0.4699 0.8555 0.8555 0.9136 0.9136 3.6374 3.6374 4.6106 4.6106 6.0035 6.0035 6.5289 6.5289 6.5564 6.5564 7.2207 7.2207 9.7834 9.7834 11.2646 11.2646 11.5319 11.5319 13.3894 13.3894 k = 0.5000 0.2887-0.0000 ( 3446 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2433 -8.2433 -8.1453 -8.1453 -1.8402 -1.8402 -1.7410 -1.7410 -0.4481 -0.4481 -0.4294 -0.4294 -0.2411 -0.2411 -0.0349 -0.0349 0.2132 0.2132 0.2340 0.2340 0.3293 0.3293 0.4699 0.4699 0.8555 0.8555 0.9136 0.9136 3.6374 3.6374 4.6106 4.6106 6.0035 6.0035 6.5289 6.5289 6.5564 6.5564 7.2207 7.2207 9.7834 9.7834 11.2646 11.2646 11.5319 11.5319 13.3894 13.3894 k = 0.4933 0.3002-0.0000 ( 3448 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2432 -8.2432 -8.1454 -8.1454 -1.8400 -1.8400 -1.7409 -1.7409 -0.4483 -0.4483 -0.4291 -0.4291 -0.2414 -0.2414 -0.0345 -0.0345 0.2130 0.2130 0.2343 0.2343 0.3293 0.3293 0.4698 0.4698 0.8556 0.8556 0.9144 0.9144 3.6386 3.6386 4.6094 4.6094 6.0044 6.0044 6.5205 6.5205 6.5570 6.5570 7.2192 7.2192 9.7932 9.7932 11.2653 11.2653 11.5324 11.5324 13.3896 13.3896 k = 0.4867 0.3118-0.0000 ( 3440 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2430 -8.2430 -8.1458 -8.1458 -1.8395 -1.8395 -1.7408 -1.7408 -0.4489 -0.4489 -0.4284 -0.4284 -0.2424 -0.2424 -0.0335 -0.0335 0.2125 0.2125 0.2352 0.2352 0.3293 0.3293 0.4695 0.4695 0.8559 0.8559 0.9169 0.9169 3.6422 3.6422 4.6060 4.6060 6.0070 6.0070 6.4958 6.4958 6.5588 6.5588 7.2147 7.2147 9.8222 9.8222 11.2676 11.2676 11.5338 11.5338 13.3901 13.3901 k = 0.4800 0.3233-0.0000 ( 3436 PWs) bands (ev): -26.4357 -26.4357 -9.3212 -9.3212 -8.2426 -8.2426 -8.1466 -8.1466 -1.8386 -1.8386 -1.7405 -1.7405 -0.4498 -0.4498 -0.4273 -0.4273 -0.2441 -0.2441 -0.0318 -0.0318 0.2118 0.2118 0.2366 0.2366 0.3294 0.3294 0.4689 0.4689 0.8563 0.8563 0.9209 0.9209 3.6481 3.6481 4.6003 4.6003 6.0112 6.0112 6.4562 6.4562 6.5614 6.5614 7.2073 7.2073 9.8694 9.8694 11.2713 11.2713 11.5360 11.5360 13.3901 13.3901 k = 0.4733 0.3349-0.0000 ( 3436 PWs) bands (ev): -26.4357 -26.4357 -9.3212 -9.3212 -8.2422 -8.2422 -8.1475 -8.1475 -1.8374 -1.8374 -1.7401 -1.7401 -0.4508 -0.4508 -0.4259 -0.4259 -0.2462 -0.2462 -0.0296 -0.0296 0.2111 0.2111 0.2382 0.2382 0.3294 0.3294 0.4679 0.4679 0.8571 0.8571 0.9265 0.9265 3.6564 3.6564 4.5924 4.5924 6.0171 6.0171 6.4030 6.4030 6.5649 6.5649 7.1971 7.1971 9.9333 9.9333 11.2762 11.2762 11.5392 11.5392 13.3842 13.3842 k = 0.4667 0.3464-0.0000 ( 3428 PWs) bands (ev): -26.4357 -26.4357 -9.3213 -9.3213 -8.2415 -8.2415 -8.1488 -8.1488 -1.8359 -1.8359 -1.7396 -1.7396 -0.4520 -0.4520 -0.4242 -0.4242 -0.2489 -0.2489 -0.0269 -0.0269 0.2106 0.2106 0.2399 0.2399 0.3296 0.3296 0.4667 0.4667 0.8581 0.8581 0.9334 0.9334 3.6671 3.6671 4.5823 4.5823 6.0244 6.0244 6.3383 6.3383 6.5692 6.5692 7.1842 7.1842 10.0119 10.0119 11.2822 11.2822 11.5431 11.5431 13.3379 13.3379 k = 0.4600 0.3580-0.0000 ( 3422 PWs) bands (ev): -26.4356 -26.4356 -9.3214 -9.3214 -8.2408 -8.2408 -8.1503 -8.1503 -1.8341 -1.8341 -1.7390 -1.7390 -0.4533 -0.4533 -0.4224 -0.4224 -0.2520 -0.2520 -0.0238 -0.0238 0.2104 0.2104 0.2418 0.2418 0.3297 0.3297 0.4652 0.4652 0.8596 0.8596 0.9415 0.9415 3.6801 3.6801 4.5701 4.5701 6.0328 6.0328 6.2644 6.2644 6.5741 6.5741 7.1690 7.1690 10.1031 10.1031 11.2890 11.2890 11.5478 11.5478 13.2451 13.2451 k = 0.4533 0.3695-0.0000 ( 3414 PWs) bands (ev): -26.4356 -26.4356 -9.3216 -9.3216 -8.2400 -8.2400 -8.1520 -8.1520 -1.8321 -1.8321 -1.7383 -1.7383 -0.4546 -0.4546 -0.4205 -0.4205 -0.2555 -0.2555 -0.0205 -0.0205 0.2106 0.2106 0.2436 0.2436 0.3299 0.3299 0.4633 0.4633 0.8615 0.8615 0.9508 0.9508 3.6953 3.6953 4.5559 4.5559 6.0405 6.0405 6.1849 6.1849 6.5796 6.5796 7.1515 7.1515 10.2048 10.2048 11.2964 11.2964 11.5532 11.5532 13.1397 13.1397 k = 0.4467 0.3811-0.0000 ( 3414 PWs) bands (ev): -26.4355 -26.4355 -9.3217 -9.3217 -8.2390 -8.2390 -8.1540 -8.1540 -1.8299 -1.8299 -1.7375 -1.7375 -0.4559 -0.4559 -0.4184 -0.4184 -0.2592 -0.2592 -0.0170 -0.0170 0.2113 0.2113 0.2455 0.2455 0.3302 0.3302 0.4609 0.4609 0.8638 0.8638 0.9611 0.9611 3.7128 3.7128 4.5399 4.5399 6.0367 6.0367 6.1124 6.1124 6.5855 6.5855 7.1322 7.1322 10.3151 10.3151 11.3044 11.3044 11.5592 11.5592 13.0310 13.0310 k = 0.4400 0.3926-0.0000 ( 3412 PWs) bands (ev): -26.4355 -26.4355 -9.3219 -9.3219 -8.2379 -8.2379 -8.1561 -8.1561 -1.8275 -1.8275 -1.7366 -1.7366 -0.4572 -0.4572 -0.4163 -0.4163 -0.2631 -0.2631 -0.0135 -0.0135 0.2125 0.2125 0.2474 0.2474 0.3305 0.3305 0.4582 0.4582 0.8665 0.8665 0.9723 0.9723 3.7324 3.7324 4.5221 4.5221 5.9780 5.9780 6.0920 6.0920 6.5915 6.5915 7.1113 7.1113 10.4319 10.4319 11.3126 11.3126 11.5657 11.5657 12.9225 12.9225 k = 0.4333 0.4041-0.0000 ( 3420 PWs) bands (ev): -26.4354 -26.4354 -9.3220 -9.3220 -8.2367 -8.2367 -8.1585 -8.1585 -1.8250 -1.8250 -1.7356 -1.7356 -0.4584 -0.4584 -0.4142 -0.4142 -0.2671 -0.2671 -0.0100 -0.0100 0.2142 0.2142 0.2493 0.2493 0.3309 0.3309 0.4551 0.4551 0.8696 0.8696 0.9842 0.9842 3.7541 3.7541 4.5027 4.5027 5.8875 5.8875 6.1022 6.1022 6.5976 6.5976 7.0890 7.0890 10.5535 10.5535 11.3212 11.3212 11.5725 11.5725 12.8160 12.8160 k = 0.4267 0.4157-0.0000 ( 3432 PWs) bands (ev): -26.4353 -26.4353 -9.3222 -9.3222 -8.2354 -8.2354 -8.1609 -8.1609 -1.8224 -1.8224 -1.7345 -1.7345 -0.4596 -0.4596 -0.4121 -0.4121 -0.2711 -0.2711 -0.0067 -0.0067 0.2163 0.2163 0.2513 0.2513 0.3313 0.3313 0.4515 0.4515 0.8732 0.8732 0.9966 0.9966 3.7779 3.7779 4.4818 4.4818 5.7909 5.7909 6.1185 6.1185 6.6033 6.6033 7.0658 7.0658 10.6781 10.6781 11.3300 11.3300 11.5795 11.5795 12.7129 12.7129 k = 0.4200 0.4272-0.0000 ( 3424 PWs) bands (ev): -26.4353 -26.4353 -9.3224 -9.3224 -8.2340 -8.2340 -8.1635 -8.1635 -1.8198 -1.8198 -1.7333 -1.7333 -0.4607 -0.4607 -0.4099 -0.4099 -0.2751 -0.2751 -0.0035 -0.0035 0.2187 0.2187 0.2536 0.2536 0.3318 0.3318 0.4476 0.4476 0.8771 0.8771 1.0095 1.0095 3.8036 3.8036 4.4597 4.4597 5.6927 5.6927 6.1376 6.1376 6.6086 6.6086 7.0418 7.0418 10.8039 10.8039 11.3392 11.3392 11.5867 11.5867 12.6144 12.6144 k = 0.4133 0.4388-0.0000 ( 3426 PWs) bands (ev): -26.4352 -26.4352 -9.3227 -9.3227 -8.2326 -8.2326 -8.1662 -8.1662 -1.8173 -1.8173 -1.7320 -1.7320 -0.4617 -0.4617 -0.4077 -0.4077 -0.2790 -0.2790 -0.0006 -0.0006 0.2214 0.2214 0.2561 0.2561 0.3323 0.3323 0.4434 0.4434 0.8813 0.8813 1.0226 1.0226 3.8310 3.8310 4.4366 4.4366 5.5948 5.5948 6.1587 6.1587 6.6130 6.6130 7.0175 7.0175 10.9293 10.9293 11.3489 11.3489 11.5937 11.5937 12.5217 12.5217 k = 0.4067 0.4503-0.0000 ( 3426 PWs) bands (ev): -26.4351 -26.4351 -9.3229 -9.3229 -8.2310 -8.2310 -8.1690 -8.1690 -1.8148 -1.8148 -1.7306 -1.7306 -0.4626 -0.4626 -0.4055 -0.4055 -0.2827 -0.2827 0.0022 0.0022 0.2240 0.2240 0.2591 0.2591 0.3329 0.3329 0.4389 0.4389 0.8859 0.8859 1.0358 1.0358 3.8600 3.8600 4.4126 4.4126 5.4985 5.4985 6.1816 6.1816 6.6163 6.6163 6.9931 6.9931 11.0522 11.0522 11.3593 11.3593 11.6005 11.6005 12.4360 12.4360 k = 0.4000 0.4619-0.0000 ( 3432 PWs) bands (ev): -26.4351 -26.4351 -9.3231 -9.3231 -8.2295 -8.2295 -8.1717 -8.1717 -1.8125 -1.8125 -1.7292 -1.7292 -0.4635 -0.4635 -0.4034 -0.4034 -0.2863 -0.2863 0.0047 0.0047 0.2265 0.2265 0.2625 0.2625 0.3334 0.3334 0.4342 0.4342 0.8907 0.8907 1.0487 1.0487 3.8905 3.8905 4.3881 4.3881 5.4048 5.4048 6.2061 6.2061 6.6183 6.6183 6.9689 6.9689 11.1702 11.1702 11.3707 11.3707 11.6071 11.6071 12.3589 12.3589 k = 0.3933 0.4734-0.0000 ( 3424 PWs) bands (ev): -26.4350 -26.4350 -9.3233 -9.3233 -8.2279 -8.2279 -8.1745 -8.1745 -1.8102 -1.8102 -1.7277 -1.7277 -0.4642 -0.4642 -0.4013 -0.4013 -0.2897 -0.2897 0.0069 0.0069 0.2288 0.2288 0.2664 0.2664 0.3340 0.3340 0.4294 0.4294 0.8957 0.8957 1.0611 1.0611 3.9221 3.9221 4.3632 4.3632 5.3148 5.3148 6.2321 6.2321 6.6185 6.6185 6.9452 6.9452 11.2799 11.2799 11.3838 11.3838 11.6133 11.6133 12.2928 12.2928 k = 0.3867 0.4850-0.0000 ( 3416 PWs) bands (ev): -26.4349 -26.4349 -9.3236 -9.3236 -8.2263 -8.2263 -8.1772 -8.1772 -1.8082 -1.8082 -1.7263 -1.7263 -0.4648 -0.4648 -0.3993 -0.3993 -0.2928 -0.2928 0.0090 0.0090 0.2306 0.2306 0.2708 0.2708 0.3347 0.3347 0.4246 0.4246 0.9009 0.9009 1.0730 1.0730 3.9545 3.9545 4.3382 4.3382 5.2295 5.2295 6.2593 6.2593 6.6168 6.6168 6.9222 6.9222 11.3714 11.3714 11.4047 11.4047 11.6193 11.6193 12.2405 12.2405 k = 0.3800 0.4965-0.0000 ( 3402 PWs) bands (ev): -26.4349 -26.4349 -9.3238 -9.3238 -8.2247 -8.2247 -8.1799 -8.1799 -1.8064 -1.8064 -1.7248 -1.7248 -0.4653 -0.4653 -0.3974 -0.3974 -0.2956 -0.2956 0.0108 0.0108 0.2321 0.2321 0.2755 0.2755 0.3353 0.3353 0.4198 0.4198 0.9062 0.9062 1.0839 1.0839 3.9873 3.9873 4.3135 4.3135 5.1499 5.1499 6.2878 6.2878 6.6127 6.6127 6.9004 6.9004 11.4053 11.4053 11.4672 11.4672 11.6259 11.6259 12.2066 12.2066 k = 0.3733 0.5081-0.0000 ( 3402 PWs) bands (ev): -26.4348 -26.4348 -9.3240 -9.3240 -8.2231 -8.2231 -8.1824 -8.1824 -1.8049 -1.8049 -1.7234 -1.7234 -0.4658 -0.4658 -0.3957 -0.3957 -0.2981 -0.2981 0.0124 0.0124 0.2332 0.2332 0.2801 0.2801 0.3360 0.3360 0.4151 0.4151 0.9115 0.9115 1.0937 1.0937 4.0199 4.0199 4.2892 4.2892 5.0772 5.0772 6.3173 6.3173 6.6061 6.6061 6.8800 6.8800 11.4231 11.4231 11.5237 11.5237 11.6332 11.6332 12.1960 12.1960 k = 0.3667 0.5196-0.0000 ( 3402 PWs) bands (ev): -26.4348 -26.4348 -9.3242 -9.3242 -8.2217 -8.2217 -8.1846 -8.1846 -1.8036 -1.8036 -1.7220 -1.7220 -0.4662 -0.4662 -0.3942 -0.3942 -0.3002 -0.3002 0.0138 0.0138 0.2340 0.2340 0.2846 0.2846 0.3367 0.3367 0.4108 0.4108 0.9166 0.9166 1.1022 1.1022 4.0517 4.0517 4.2658 4.2658 5.0124 5.0124 6.3476 6.3476 6.5967 6.5967 6.8613 6.8613 11.4414 11.4414 11.5559 11.5559 11.6395 11.6395 12.2118 12.2118 k = 0.3600 0.5312-0.0000 ( 3406 PWs) bands (ev): -26.4347 -26.4347 -9.3243 -9.3243 -8.2204 -8.2204 -8.1867 -8.1867 -1.8025 -1.8025 -1.7208 -1.7208 -0.4665 -0.4665 -0.3928 -0.3928 -0.3020 -0.3020 0.0150 0.0150 0.2345 0.2345 0.2885 0.2885 0.3375 0.3375 0.4069 0.4069 0.9215 0.9215 1.1092 1.1092 4.0818 4.0818 4.2435 4.2435 4.9570 4.9570 6.3785 6.3785 6.5842 6.5842 6.8447 6.8447 11.4612 11.4612 11.5697 11.5697 11.6391 11.6391 12.2519 12.2519 k = 0.3533 0.5427-0.0000 ( 3414 PWs) bands (ev): -26.4347 -26.4347 -9.3245 -9.3245 -8.2193 -8.2193 -8.1883 -8.1883 -1.8017 -1.8017 -1.7198 -1.7198 -0.4667 -0.4667 -0.3918 -0.3918 -0.3034 -0.3034 0.0159 0.0159 0.2349 0.2349 0.2918 0.2918 0.3384 0.3384 0.4036 0.4036 0.9258 0.9258 1.1146 1.1146 4.1092 4.1092 4.2228 4.2228 4.9121 4.9121 6.4096 6.4096 6.5686 6.5686 6.8307 6.8307 11.4827 11.4827 11.5737 11.5737 11.6293 11.6293 12.3092 12.3092 k = 0.3467 0.5543-0.0000 ( 3418 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2185 -8.2185 -8.1896 -8.1896 -1.8011 -1.8011 -1.7190 -1.7190 -0.4669 -0.4669 -0.3910 -0.3910 -0.3044 -0.3044 0.0167 0.0167 0.2351 0.2351 0.2941 0.2941 0.3391 0.3391 0.4011 0.4011 0.9293 0.9293 1.1183 1.1183 4.1329 4.1329 4.2040 4.2040 4.8792 4.8792 6.4404 6.4404 6.5497 6.5497 6.8197 6.8197 11.5061 11.5061 11.5733 11.5733 11.6119 11.6119 12.3754 12.3754 k = 0.3400 0.5658-0.0000 ( 3426 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2180 -8.2180 -8.1904 -8.1904 -1.8008 -1.8008 -1.7185 -1.7185 -0.4669 -0.4669 -0.3905 -0.3905 -0.3049 -0.3049 0.0171 0.0171 0.2352 0.2352 0.2955 0.2955 0.3397 0.3397 0.3996 0.3996 0.9317 0.9317 1.1204 1.1204 4.1514 4.1514 4.1883 4.1883 4.8591 4.8591 6.4700 6.4700 6.5278 6.5278 6.8126 6.8126 11.5311 11.5311 11.5711 11.5711 11.5901 11.5901 12.4437 12.4437 k = 0.3333 0.5774-0.0000 ( 3438 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8007 -1.8007 -1.7184 -1.7184 -0.4670 -0.4670 -0.3904 -0.3904 -0.3051 -0.3051 0.0173 0.0173 0.2352 0.2352 0.2960 0.2960 0.3399 0.3399 0.3990 0.3990 0.9325 0.9325 1.1211 1.1211 4.1600 4.1600 4.1805 4.1805 4.8524 4.8524 6.4912 6.4912 6.5094 6.5094 6.8100 6.8100 11.5522 11.5522 11.5633 11.5633 11.5766 11.5766 12.5020 12.5021 k = 0.3333 0.5774-0.0000 ( 3438 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8007 -1.8007 -1.7184 -1.7184 -0.4670 -0.4670 -0.3904 -0.3904 -0.3051 -0.3051 0.0173 0.0173 0.2352 0.2352 0.2960 0.2960 0.3399 0.3399 0.3990 0.3990 0.9325 0.9325 1.1211 1.1211 4.1600 4.1600 4.1805 4.1805 4.8524 4.8524 6.4912 6.4912 6.5094 6.5094 6.8100 6.8100 11.5522 11.5522 11.5633 11.5633 11.5766 11.5766 12.5020 12.5021 k = 0.3265 0.5656-0.0000 ( 3414 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2180 -8.2180 -8.1904 -8.1904 -1.8008 -1.8008 -1.7185 -1.7185 -0.4669 -0.4669 -0.3905 -0.3905 -0.3049 -0.3049 0.0171 0.0171 0.2352 0.2352 0.2956 0.2956 0.3397 0.3397 0.3996 0.3996 0.9315 0.9315 1.1205 1.1205 4.1541 4.1541 4.1860 4.1860 4.8592 4.8592 6.4687 6.4687 6.5287 6.5287 6.8130 6.8130 11.5281 11.5281 11.5719 11.5719 11.5929 11.5929 12.4454 12.4454 k = 0.3197 0.5538-0.0000 ( 3414 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2184 -8.2184 -8.1896 -8.1896 -1.8011 -1.8011 -1.7192 -1.7192 -0.4669 -0.4669 -0.3910 -0.3910 -0.3044 -0.3044 0.0165 0.0165 0.2352 0.2352 0.2944 0.2944 0.3389 0.3389 0.4010 0.4010 0.9278 0.9278 1.1190 1.1190 4.1461 4.1461 4.1936 4.1936 4.8785 4.8785 6.4358 6.4358 6.5518 6.5518 6.8226 6.8226 11.4950 11.4950 11.5772 11.5772 11.6236 11.6236 12.3825 12.3825 k = 0.3129 0.5420-0.0000 ( 3422 PWs) bands (ev): -26.4347 -26.4347 -9.3244 -9.3244 -8.2190 -8.2190 -8.1885 -8.1885 -1.8017 -1.8017 -1.7203 -1.7203 -0.4668 -0.4668 -0.3919 -0.3919 -0.3036 -0.3036 0.0154 0.0154 0.2352 0.2352 0.2925 0.2925 0.3378 0.3378 0.4031 0.4031 0.9211 0.9211 1.1168 1.1168 4.1407 4.1407 4.2007 4.2007 4.9088 4.9088 6.3992 6.3992 6.5716 6.5716 6.8393 6.8393 11.4587 11.4587 11.5858 11.5858 11.6570 11.6570 12.3211 12.3211 k = 0.3061 0.5302-0.0000 ( 3414 PWs) bands (ev): -26.4347 -26.4347 -9.3242 -9.3242 -8.2197 -8.2197 -8.1871 -8.1871 -1.8024 -1.8024 -1.7219 -1.7219 -0.4667 -0.4667 -0.3930 -0.3930 -0.3026 -0.3026 0.0138 0.0138 0.2352 0.2352 0.2902 0.2902 0.3364 0.3364 0.4056 0.4056 0.9110 0.9110 1.1144 1.1144 4.1387 4.1387 4.2083 4.2083 4.9483 4.9483 6.3593 6.3593 6.5880 6.5880 6.8630 6.8630 11.4197 11.4197 11.5986 11.5986 11.6919 11.6919 12.2617 12.2617 k = 0.2993 0.5184-0.0000 ( 3410 PWs) bands (ev): -26.4348 -26.4348 -9.3239 -9.3239 -8.2203 -8.2203 -8.1855 -8.1855 -1.8034 -1.8034 -1.7240 -1.7240 -0.4665 -0.4665 -0.3945 -0.3945 -0.3015 -0.3015 0.0116 0.0116 0.2354 0.2354 0.2875 0.2875 0.3348 0.3348 0.4084 0.4084 0.8973 0.8973 1.1119 1.1119 4.1406 4.1406 4.2177 4.2177 4.9953 4.9953 6.3167 6.3167 6.6018 6.6018 6.8929 6.8929 11.3783 11.3783 11.6156 11.6156 11.7274 11.7274 12.2049 12.2049 k = 0.2925 0.5067-0.0000 ( 3404 PWs) bands (ev): -26.4349 -26.4349 -9.3235 -9.3235 -8.2209 -8.2209 -8.1838 -8.1838 -1.8047 -1.8047 -1.7267 -1.7267 -0.4664 -0.4664 -0.3962 -0.3962 -0.3003 -0.3003 0.0088 0.0088 0.2356 0.2356 0.2845 0.2845 0.3332 0.3332 0.4111 0.4111 0.8800 0.8800 1.1095 1.1095 4.1467 4.1467 4.2301 4.2301 5.0484 5.0484 6.2718 6.2718 6.6139 6.6139 6.9280 6.9280 11.3349 11.3349 11.6367 11.6367 11.7623 11.7623 12.1520 12.1520 k = 0.2857 0.4949-0.0000 ( 3408 PWs) bands (ev): -26.4350 -26.4350 -9.3230 -9.3230 -8.2214 -8.2214 -8.1819 -8.1819 -1.8062 -1.8062 -1.7299 -1.7299 -0.4663 -0.4663 -0.3981 -0.3981 -0.2992 -0.2992 0.0052 0.0052 0.2359 0.2359 0.2813 0.2813 0.3316 0.3316 0.4136 0.4136 0.8594 0.8594 1.1071 1.1071 4.1573 4.1573 4.2460 4.2460 5.1061 5.1061 6.2251 6.2251 6.6254 6.6254 6.9672 6.9672 11.2899 11.2899 11.6612 11.6612 11.7943 11.7943 12.1051 12.1051 k = 0.2789 0.4831-0.0000 ( 3414 PWs) bands (ev): -26.4351 -26.4351 -9.3225 -9.3225 -8.2218 -8.2218 -8.1799 -8.1799 -1.8081 -1.8081 -1.7336 -1.7336 -0.4663 -0.4663 -0.4002 -0.4002 -0.2982 -0.2982 0.0008 0.0008 0.2364 0.2364 0.2780 0.2780 0.3301 0.3301 0.4158 0.4158 0.8360 0.8360 1.1045 1.1045 4.1725 4.1725 4.2660 4.2660 5.1675 5.1675 6.1772 6.1772 6.6373 6.6373 7.0096 7.0096 11.2437 11.2437 11.6886 11.6886 11.8184 11.8184 12.0689 12.0689 k = 0.2721 0.4713-0.0000 ( 3414 PWs) bands (ev): -26.4352 -26.4352 -9.3218 -9.3218 -8.2220 -8.2220 -8.1778 -8.1778 -1.8103 -1.8103 -1.7378 -1.7378 -0.4663 -0.4663 -0.4025 -0.4025 -0.2974 -0.2974 -0.0044 -0.0044 0.2369 0.2369 0.2747 0.2747 0.3289 0.3289 0.4175 0.4175 0.8103 0.8103 1.1015 1.1015 4.1925 4.1925 4.2901 4.2901 5.2316 5.2316 6.1288 6.1288 6.6503 6.6503 7.0544 7.0544 11.1967 11.1967 11.7180 11.7180 11.8268 11.8268 12.0511 12.0511 k = 0.2653 0.4595-0.0000 ( 3402 PWs) bands (ev): -26.4354 -26.4354 -9.3211 -9.3211 -8.2220 -8.2220 -8.1758 -8.1758 -1.8131 -1.8131 -1.7424 -1.7424 -0.4663 -0.4663 -0.4049 -0.4049 -0.2969 -0.2969 -0.0104 -0.0104 0.2375 0.2375 0.2714 0.2714 0.3278 0.3278 0.4187 0.4187 0.7830 0.7830 1.0980 1.0980 4.2174 4.2174 4.3182 4.3182 5.2974 5.2974 6.0811 6.0811 6.6648 6.6648 7.1013 7.1013 11.1493 11.1493 11.7478 11.7478 11.8142 11.8142 12.0571 12.0571 k = 0.2585 0.4477-0.0000 ( 3410 PWs) bands (ev): -26.4355 -26.4355 -9.3202 -9.3202 -8.2218 -8.2218 -8.1736 -8.1736 -1.8165 -1.8165 -1.7472 -1.7472 -0.4664 -0.4664 -0.4075 -0.4075 -0.2968 -0.2968 -0.0172 -0.0172 0.2380 0.2380 0.2684 0.2684 0.3270 0.3270 0.4191 0.4191 0.7547 0.7547 1.0937 1.0937 4.2474 4.2474 4.3500 4.3500 5.3637 5.3637 6.0352 6.0352 6.6813 6.6813 7.1497 7.1497 11.1019 11.1019 11.7708 11.7708 11.7910 11.7910 12.0818 12.0818 k = 0.2517 0.4360-0.0000 ( 3408 PWs) bands (ev): -26.4357 -26.4357 -9.3193 -9.3193 -8.2214 -8.2214 -8.1715 -8.1715 -1.8207 -1.8207 -1.7522 -1.7522 -0.4666 -0.4666 -0.4101 -0.4101 -0.2972 -0.2972 -0.0249 -0.0249 0.2381 0.2381 0.2658 0.2658 0.3264 0.3264 0.4188 0.4188 0.7261 0.7261 1.0884 1.0884 4.2824 4.2824 4.3850 4.3850 5.4289 5.4289 5.9932 5.9932 6.7000 6.7000 7.1994 7.1994 11.0549 11.0549 11.7417 11.7417 11.8093 11.8093 12.1167 12.1167 k = 0.2449 0.4242-0.0000 ( 3408 PWs) bands (ev): -26.4359 -26.4359 -9.3182 -9.3182 -8.2208 -8.2208 -8.1693 -8.1693 -1.8260 -1.8260 -1.7571 -1.7571 -0.4669 -0.4669 -0.4128 -0.4128 -0.2981 -0.2981 -0.0334 -0.0334 0.2377 0.2377 0.2640 0.2640 0.3260 0.3260 0.4176 0.4176 0.6980 0.6980 1.0821 1.0821 4.3224 4.3224 4.4224 4.4224 5.4908 5.4908 5.9579 5.9579 6.7211 6.7211 7.2500 7.2500 11.0085 11.0085 11.6995 11.6995 11.8336 11.8336 12.1562 12.1562 k = 0.2381 0.4124-0.0000 ( 3410 PWs) bands (ev): -26.4361 -26.4361 -9.3171 -9.3171 -8.2201 -8.2201 -8.1671 -8.1671 -1.8324 -1.8324 -1.7618 -1.7618 -0.4673 -0.4673 -0.4156 -0.4156 -0.2997 -0.2997 -0.0427 -0.0427 0.2364 0.2364 0.2632 0.2632 0.3256 0.3256 0.4155 0.4155 0.6709 0.6709 1.0748 1.0748 4.3676 4.3676 4.4611 4.4611 5.5454 5.5454 5.9341 5.9341 6.7447 6.7447 7.3015 7.3015 10.9631 10.9631 11.6552 11.6552 11.8533 11.8533 12.1970 12.1970 k = 0.2313 0.4006-0.0000 ( 3410 PWs) bands (ev): -26.4364 -26.4364 -9.3158 -9.3158 -8.2191 -8.2191 -8.1649 -8.1649 -1.8403 -1.8403 -1.7661 -1.7661 -0.4678 -0.4678 -0.4184 -0.4184 -0.3020 -0.3020 -0.0526 -0.0526 0.2342 0.2342 0.2635 0.2635 0.3251 0.3251 0.4123 0.4123 0.6457 0.6457 1.0663 1.0663 4.4176 4.4176 4.5000 4.5000 5.5873 5.5873 5.9280 5.9280 6.7711 6.7711 7.3535 7.3535 10.9188 10.9188 11.6105 11.6105 11.8666 11.8666 12.2371 12.2371 k = 0.2245 0.3888-0.0000 ( 3402 PWs) bands (ev): -26.4366 -26.4366 -9.3145 -9.3145 -8.2180 -8.2180 -8.1626 -8.1626 -1.8496 -1.8496 -1.7699 -1.7699 -0.4685 -0.4685 -0.4211 -0.4211 -0.3050 -0.3050 -0.0631 -0.0631 0.2312 0.2312 0.2647 0.2647 0.3244 0.3244 0.4083 0.4083 0.6227 0.6227 1.0567 1.0567 4.4725 4.4725 4.5376 4.5376 5.6125 5.6125 5.9452 5.9452 6.8003 6.8003 7.4060 7.4060 10.8759 10.8759 11.5659 11.5659 11.8722 11.8722 12.2748 12.2748 k = 0.2177 0.3770-0.0000 ( 3402 PWs) bands (ev): -26.4369 -26.4369 -9.3131 -9.3131 -8.2167 -8.2167 -8.1603 -8.1603 -1.8604 -1.8604 -1.7732 -1.7732 -0.4693 -0.4693 -0.4239 -0.4239 -0.3089 -0.3089 -0.0741 -0.0741 0.2277 0.2277 0.2666 0.2666 0.3230 0.3230 0.4035 0.4035 0.6023 0.6023 1.0461 1.0461 4.5320 4.5320 4.5721 4.5721 5.6235 5.6235 5.9848 5.9848 6.8322 6.8322 7.4587 7.4587 10.8345 10.8345 11.5216 11.5216 11.8693 11.8693 12.3085 12.3085 k = 0.2109 0.3653-0.0000 ( 3416 PWs) bands (ev): -26.4372 -26.4372 -9.3116 -9.3116 -8.2154 -8.2154 -8.1580 -8.1580 -1.8727 -1.8727 -1.7761 -1.7761 -0.4703 -0.4703 -0.4268 -0.4268 -0.3138 -0.3138 -0.0854 -0.0854 0.2238 0.2238 0.2689 0.2689 0.3205 0.3205 0.3987 0.3987 0.5849 0.5849 1.0345 1.0345 4.5933 4.5933 4.6041 4.6041 5.6285 5.6285 6.0402 6.0402 6.8671 6.8671 7.5116 7.5116 10.7948 10.7948 11.4778 11.4778 11.8580 11.8580 12.3368 12.3368 k = 0.2041 0.3535-0.0000 ( 3416 PWs) bands (ev): -26.4374 -26.4374 -9.3100 -9.3100 -8.2138 -8.2138 -8.1556 -8.1556 -1.8863 -1.8863 -1.7785 -1.7785 -0.4715 -0.4715 -0.4295 -0.4295 -0.3196 -0.3196 -0.0968 -0.0968 0.2198 0.2198 0.2715 0.2715 0.3166 0.3166 0.3944 0.3944 0.5703 0.5703 1.0219 1.0219 4.6212 4.6212 4.6665 4.6665 5.6358 5.6358 6.1049 6.1049 6.9049 6.9049 7.5644 7.5644 10.7567 10.7567 11.4343 11.4343 11.8387 11.8387 12.3582 12.3582 k = 0.1973 0.3417-0.0000 ( 3412 PWs) bands (ev): -26.4377 -26.4377 -9.3084 -9.3084 -8.2122 -8.2122 -8.1531 -8.1531 -1.9013 -1.9013 -1.7805 -1.7805 -0.4728 -0.4728 -0.4321 -0.4321 -0.3264 -0.3264 -0.1083 -0.1083 0.2157 0.2157 0.2742 0.2742 0.3109 0.3109 0.3914 0.3914 0.5583 0.5583 1.0085 1.0085 4.6338 4.6338 4.7392 4.7392 5.6513 5.6513 6.1748 6.1748 6.9455 6.9455 7.6170 7.6170 10.7205 10.7205 11.3910 11.3910 11.8127 11.8127 12.3716 12.3716 k = 0.1905 0.3299-0.0000 ( 3408 PWs) bands (ev): -26.4381 -26.4381 -9.3067 -9.3067 -8.2106 -8.2106 -8.1505 -8.1505 -1.9175 -1.9175 -1.7823 -1.7823 -0.4744 -0.4744 -0.4347 -0.4347 -0.3341 -0.3341 -0.1196 -0.1196 0.2116 0.2116 0.2769 0.2769 0.3035 0.3035 0.3900 0.3900 0.5485 0.5485 0.9944 0.9944 4.6361 4.6361 4.8163 4.8163 5.6782 5.6782 6.2471 6.2471 6.9891 6.9891 7.6693 7.6693 10.6859 10.6859 11.3475 11.3475 11.7811 11.7811 12.3760 12.3760 k = 0.1837 0.3181-0.0000 ( 3408 PWs) bands (ev): -26.4384 -26.4384 -9.3050 -9.3050 -8.2089 -8.2089 -8.1478 -8.1478 -1.9347 -1.9347 -1.7839 -1.7839 -0.4761 -0.4761 -0.4372 -0.4372 -0.3428 -0.3428 -0.1306 -0.1306 0.2076 0.2076 0.2789 0.2789 0.2954 0.2954 0.3904 0.3904 0.5406 0.5406 0.9797 0.9797 4.6280 4.6280 4.8972 4.8972 5.7178 5.7178 6.3205 6.3205 7.0355 7.0355 7.7211 7.7211 10.6528 10.6528 11.3035 11.3035 11.7455 11.7455 12.3712 12.3712 k = 0.1769 0.3063-0.0000 ( 3408 PWs) bands (ev): -26.4387 -26.4387 -9.3032 -9.3032 -8.2072 -8.2072 -8.1450 -8.1450 -1.9529 -1.9529 -1.7853 -1.7853 -0.4781 -0.4781 -0.4396 -0.4396 -0.3523 -0.3523 -0.1412 -0.1412 0.2037 0.2037 0.2781 0.2781 0.2893 0.2893 0.3921 0.3921 0.5341 0.5341 0.9645 0.9645 4.6104 4.6104 4.9819 4.9819 5.7700 5.7700 6.3938 6.3938 7.0847 7.0847 7.7723 7.7723 10.6212 10.6212 11.2586 11.2586 11.7073 11.7073 12.3578 12.3578 k = 0.1701 0.2946-0.0000 ( 3412 PWs) bands (ev): -26.4390 -26.4390 -9.3014 -9.3014 -8.2054 -8.2054 -8.1421 -8.1421 -1.9719 -1.9719 -1.7866 -1.7866 -0.4803 -0.4803 -0.4420 -0.4420 -0.3625 -0.3625 -0.1513 -0.1513 0.1999 0.1999 0.2711 0.2711 0.2891 0.2891 0.3951 0.3951 0.5287 0.5287 0.9489 0.9489 4.5848 4.5848 5.0700 5.0700 5.8338 5.8338 6.4665 6.4665 7.1368 7.1368 7.8226 7.8226 10.5907 10.5907 11.2120 11.2120 11.6678 11.6678 12.3367 12.3367 k = 0.1633 0.2828-0.0000 ( 3410 PWs) bands (ev): -26.4394 -26.4394 -9.2996 -9.2996 -8.2038 -8.2038 -8.1391 -8.1391 -1.9917 -1.9917 -1.7878 -1.7878 -0.4828 -0.4828 -0.4442 -0.4442 -0.3732 -0.3732 -0.1609 -0.1609 0.1964 0.1964 0.2618 0.2618 0.2912 0.2912 0.3990 0.3990 0.5242 0.5242 0.9330 0.9330 4.5527 4.5527 5.1614 5.1614 5.9080 5.9080 6.5378 6.5378 7.1915 7.1915 7.8720 7.8720 10.5609 10.5609 11.1633 11.1633 11.6281 11.6281 12.3096 12.3096 k = 0.1565 0.2710-0.0000 ( 3418 PWs) bands (ev): -26.4397 -26.4397 -9.2978 -9.2978 -8.2021 -8.2021 -8.1360 -8.1360 -2.0121 -2.0121 -1.7890 -1.7890 -0.4854 -0.4854 -0.4464 -0.4464 -0.3843 -0.3843 -0.1699 -0.1699 0.1931 0.1931 0.2525 0.2525 0.2937 0.2937 0.4035 0.4035 0.5202 0.5202 0.9170 0.9170 4.5157 4.5157 5.2558 5.2558 5.9910 5.9910 6.6074 6.6074 7.2488 7.2488 7.9203 7.9203 10.5315 10.5315 11.1117 11.1117 11.5894 11.5894 12.2776 12.2776 k = 0.1497 0.2592-0.0000 ( 3406 PWs) bands (ev): -26.4401 -26.4401 -9.2960 -9.2960 -8.2006 -8.2006 -8.1327 -8.1327 -2.0329 -2.0329 -1.7901 -1.7901 -0.4883 -0.4883 -0.4486 -0.4486 -0.3953 -0.3953 -0.1783 -0.1783 0.1902 0.1902 0.2437 0.2437 0.2962 0.2962 0.4086 0.4086 0.5166 0.5166 0.9009 0.9009 4.4752 4.4752 5.3529 5.3529 6.0817 6.0817 6.6749 6.6749 7.3085 7.3085 7.9673 7.9673 10.5018 10.5018 11.0567 11.0567 11.5523 11.5523 12.2345 12.2345 k = 0.1429 0.2474-0.0000 ( 3402 PWs) bands (ev): -26.4404 -26.4404 -9.2941 -9.2941 -8.1991 -8.1991 -8.1293 -8.1293 -2.0541 -2.0541 -1.7912 -1.7912 -0.4913 -0.4913 -0.4511 -0.4511 -0.4060 -0.4060 -0.1862 -0.1862 0.1875 0.1875 0.2355 0.2355 0.2986 0.2986 0.4141 0.4141 0.5134 0.5134 0.8849 0.8849 4.4325 4.4325 5.4525 5.4525 6.1788 6.1788 6.7399 6.7399 7.3706 7.3706 8.0129 8.0129 10.4715 10.4715 10.9974 10.9974 11.5177 11.5177 12.1832 12.1832 k = 0.1361 0.2357-0.0000 ( 3398 PWs) bands (ev): -26.4407 -26.4407 -9.2923 -9.2923 -8.1977 -8.1977 -8.1258 -8.1258 -2.0755 -2.0755 -1.7924 -1.7924 -0.4944 -0.4944 -0.4541 -0.4541 -0.4159 -0.4159 -0.1935 -0.1935 0.1851 0.1851 0.2280 0.2280 0.3009 0.3009 0.4198 0.4198 0.5104 0.5104 0.8691 0.8691 4.3884 4.3884 5.5545 5.5545 6.2815 6.2815 6.8021 6.8021 7.4349 7.4349 8.0569 8.0569 10.4399 10.4399 10.9336 10.9336 11.4857 11.4857 12.1346 12.1346 k = 0.1293 0.2239-0.0000 ( 3402 PWs) bands (ev): -26.4411 -26.4411 -9.2906 -9.2906 -8.1964 -8.1964 -8.1222 -8.1222 -2.0969 -2.0969 -1.7935 -1.7935 -0.4977 -0.4977 -0.4579 -0.4579 -0.4246 -0.4246 -0.2003 -0.2003 0.1830 0.1830 0.2213 0.2213 0.3030 0.3030 0.4255 0.4255 0.5075 0.5075 0.8535 0.8535 4.3437 4.3437 5.6585 5.6585 6.3890 6.3890 6.8613 6.8613 7.5011 7.5011 8.0991 8.0991 10.4065 10.4065 10.8648 10.8648 11.4564 11.4564 12.0910 12.0911 k = 0.1224 0.2121-0.0000 ( 3399 PWs) bands (ev): -26.4414 -26.4414 -9.2888 -9.2888 -8.1952 -8.1952 -8.1186 -8.1186 -2.1183 -2.1183 -1.7946 -1.7946 -0.5010 -0.5010 -0.4631 -0.4631 -0.4314 -0.4314 -0.2067 -0.2067 0.1813 0.1813 0.2153 0.2153 0.3049 0.3049 0.4313 0.4313 0.5048 0.5048 0.8383 0.8383 4.2991 4.2991 5.7643 5.7643 6.5005 6.5005 6.9175 6.9175 7.5690 7.5690 8.1394 8.1394 10.3709 10.3709 10.7909 10.7909 11.4295 11.4295 12.0538 12.0538 k = 0.1156 0.2003-0.0000 ( 3407 PWs) bands (ev): -26.4417 -26.4417 -9.2872 -9.2872 -8.1941 -8.1941 -8.1149 -8.1149 -2.1394 -2.1394 -1.7958 -1.7958 -0.5045 -0.5045 -0.4698 -0.4698 -0.4362 -0.4362 -0.2126 -0.2126 0.1799 0.1799 0.2101 0.2101 0.3067 0.3067 0.4368 0.4368 0.5024 0.5024 0.8236 0.8236 4.2551 4.2551 5.8716 5.8716 6.6156 6.6156 6.9703 6.9703 7.6384 7.6384 8.1778 8.1778 10.3325 10.3325 10.7123 10.7123 11.4044 11.4044 12.0237 12.0237 k = 0.1088 0.1885-0.0000 ( 3405 PWs) bands (ev): -26.4421 -26.4421 -9.2855 -9.2855 -8.1931 -8.1931 -8.1111 -8.1111 -2.1602 -2.1602 -1.7969 -1.7969 -0.5079 -0.5079 -0.4774 -0.4774 -0.4393 -0.4393 -0.2181 -0.2181 0.1787 0.1787 0.2057 0.2057 0.3082 0.3082 0.4420 0.4420 0.5002 0.5002 0.8095 0.8095 4.2120 4.2120 5.9801 5.9801 6.7335 6.7335 7.0201 7.0201 7.7088 7.7088 8.2139 8.2139 10.2912 10.2912 10.6291 10.6291 11.3802 11.3802 12.0012 12.0012 k = 0.1020 0.1767-0.0000 ( 3405 PWs) bands (ev): -26.4424 -26.4424 -9.2840 -9.2840 -8.1923 -8.1923 -8.1074 -8.1074 -2.1805 -2.1805 -1.7981 -1.7981 -0.5113 -0.5113 -0.4853 -0.4853 -0.4413 -0.4413 -0.2232 -0.2232 0.1776 0.1776 0.2022 0.2022 0.3095 0.3095 0.4465 0.4465 0.4985 0.4985 0.7960 0.7960 4.1702 4.1702 6.0895 6.0895 6.8534 6.8534 7.0670 7.0670 7.7799 7.7799 8.2477 8.2477 10.2466 10.2466 10.5422 10.5422 11.3561 11.3561 11.9862 11.9862 k = 0.0952 0.1650-0.0000 ( 3411 PWs) bands (ev): -26.4427 -26.4427 -9.2825 -9.2825 -8.1915 -8.1915 -8.1038 -8.1038 -2.2001 -2.2001 -1.7993 -1.7993 -0.5147 -0.5147 -0.4933 -0.4933 -0.4426 -0.4426 -0.2279 -0.2279 0.1765 0.1765 0.1995 0.1995 0.3106 0.3106 0.4501 0.4501 0.4974 0.4974 0.7833 0.7833 4.1301 4.1301 6.1996 6.1996 6.9733 6.9733 7.1126 7.1126 7.8512 7.8512 8.2791 8.2791 10.1986 10.1986 10.4521 10.4521 11.3314 11.3314 11.9773 11.9773 k = 0.0884 0.1532-0.0000 ( 3403 PWs) bands (ev): -26.4430 -26.4430 -9.2811 -9.2811 -8.1908 -8.1908 -8.1002 -8.1002 -2.2190 -2.2190 -1.8004 -1.8004 -0.5180 -0.5180 -0.5009 -0.5009 -0.4434 -0.4434 -0.2322 -0.2322 0.1752 0.1752 0.1980 0.1980 0.3114 0.3114 0.4524 0.4524 0.4972 0.4972 0.7714 0.7714 4.0918 4.0918 6.3098 6.3098 7.0850 7.0850 7.1648 7.1648 7.9222 7.9222 8.3080 8.3080 10.1470 10.1470 10.3600 10.3600 11.3055 11.3055 11.9712 11.9712 k = 0.0816 0.1414-0.0000 ( 3403 PWs) bands (ev): -26.4432 -26.4432 -9.2797 -9.2797 -8.1902 -8.1902 -8.0967 -8.0967 -2.2371 -2.2371 -1.8016 -1.8016 -0.5212 -0.5212 -0.5080 -0.5080 -0.4439 -0.4439 -0.2362 -0.2362 0.1738 0.1738 0.1974 0.1974 0.3120 0.3120 0.4534 0.4534 0.4980 0.4980 0.7603 0.7603 4.0556 4.0556 6.4197 6.4197 7.1572 7.1572 7.2546 7.2546 7.9922 7.9922 8.3343 8.3343 10.0917 10.0917 10.2668 10.2668 11.2784 11.2784 11.9616 11.9616 k = 0.0748 0.1296-0.0000 ( 3415 PWs) bands (ev): -26.4435 -26.4435 -9.2785 -9.2785 -8.1896 -8.1896 -8.0933 -8.0933 -2.2541 -2.2541 -1.8027 -1.8027 -0.5244 -0.5244 -0.5145 -0.5145 -0.4442 -0.4442 -0.2398 -0.2398 0.1722 0.1722 0.1977 0.1977 0.3124 0.3124 0.4530 0.4530 0.4998 0.4998 0.7502 0.7502 4.0217 4.0217 6.5289 6.5289 7.1972 7.1972 7.3743 7.3743 8.0604 8.0604 8.3578 8.3578 10.0325 10.0325 10.1736 10.1736 11.2500 11.2500 11.9395 11.9395 k = 0.0680 0.1178-0.0000 ( 3411 PWs) bands (ev): -26.4437 -26.4437 -9.2773 -9.2773 -8.1892 -8.1892 -8.0901 -8.0901 -2.2700 -2.2700 -1.8037 -1.8037 -0.5275 -0.5275 -0.5203 -0.5203 -0.4443 -0.4443 -0.2430 -0.2430 0.1705 0.1705 0.1988 0.1988 0.3125 0.3125 0.4514 0.4514 0.5023 0.5023 0.7410 0.7410 3.9903 3.9903 6.6367 6.6367 7.2278 7.2278 7.5006 7.5006 8.1259 8.1259 8.3785 8.3785 9.9693 9.9693 10.0819 10.0819 11.2206 11.2206 11.8983 11.8983 k = 0.0612 0.1060-0.0000 ( 3415 PWs) bands (ev): -26.4439 -26.4439 -9.2763 -9.2763 -8.1888 -8.1888 -8.0871 -8.0871 -2.2847 -2.2847 -1.8048 -1.8048 -0.5306 -0.5306 -0.5253 -0.5253 -0.4444 -0.4444 -0.2459 -0.2459 0.1687 0.1687 0.2006 0.2006 0.3124 0.3124 0.4491 0.4491 0.5053 0.5053 0.7328 0.7328 3.9614 3.9614 6.7424 6.7424 7.2536 7.2536 7.6286 7.6286 8.1876 8.1876 8.3964 8.3964 9.9019 9.9019 9.9929 9.9929 11.1907 11.1907 11.8408 11.8408 k = 0.0544 0.0943-0.0000 ( 3419 PWs) bands (ev): -26.4441 -26.4441 -9.2753 -9.2753 -8.1884 -8.1884 -8.0844 -8.0844 -2.2981 -2.2981 -1.8057 -1.8057 -0.5338 -0.5338 -0.5293 -0.5293 -0.4444 -0.4444 -0.2485 -0.2485 0.1671 0.1671 0.2027 0.2027 0.3121 0.3121 0.4463 0.4463 0.5083 0.5083 0.7256 0.7256 3.9352 3.9352 6.8451 6.8451 7.2758 7.2758 7.7565 7.7565 8.2442 8.2442 8.4117 8.4117 9.8305 9.8305 9.9081 9.9081 11.1607 11.1607 11.7759 11.7759 k = 0.0476 0.0825-0.0000 ( 3409 PWs) bands (ev): -26.4443 -26.4443 -9.2745 -9.2745 -8.1881 -8.1881 -8.0819 -8.0819 -2.3101 -2.3101 -1.8066 -1.8066 -0.5372 -0.5372 -0.5324 -0.5324 -0.4443 -0.4443 -0.2508 -0.2508 0.1655 0.1655 0.2052 0.2052 0.3116 0.3116 0.4433 0.4433 0.5113 0.5113 0.7193 0.7193 3.9119 3.9119 6.9436 6.9436 7.2948 7.2948 7.8832 7.8832 8.2938 8.2938 8.4251 8.4251 9.7550 9.7550 9.8293 9.8293 11.1313 11.1313 11.7112 11.7112 k = 0.0408 0.0707-0.0000 ( 3409 PWs) bands (ev): -26.4445 -26.4445 -9.2737 -9.2737 -8.1879 -8.1879 -8.0797 -8.0797 -2.3207 -2.3207 -1.8074 -1.8074 -0.5403 -0.5403 -0.5348 -0.5348 -0.4442 -0.4442 -0.2527 -0.2527 0.1641 0.1641 0.2078 0.2078 0.3109 0.3109 0.4402 0.4402 0.5141 0.5141 0.7140 0.7140 3.8915 3.8915 7.0365 7.0365 7.3109 7.3109 8.0072 8.0072 8.3341 8.3341 8.4379 8.4379 9.6763 9.6763 9.7581 9.7581 11.1031 11.1031 11.6511 11.6511 k = 0.0340 0.0589-0.0000 ( 3403 PWs) bands (ev): -26.4446 -26.4446 -9.2731 -9.2731 -8.1877 -8.1877 -8.0777 -8.0777 -2.3298 -2.3298 -1.8081 -1.8081 -0.5431 -0.5431 -0.5367 -0.5367 -0.4440 -0.4440 -0.2543 -0.2543 0.1629 0.1629 0.2104 0.2104 0.3101 0.3101 0.4374 0.4374 0.5166 0.5166 0.7096 0.7096 3.8741 3.8741 7.1219 7.1219 7.3244 7.3244 8.1266 8.1266 8.3623 8.3623 8.4523 8.4523 9.5955 9.5955 9.6959 9.6959 11.0770 11.0770 11.5979 11.5979 k = 0.0272 0.0471-0.0000 ( 3397 PWs) bands (ev): -26.4447 -26.4447 -9.2726 -9.2726 -8.1875 -8.1875 -8.0761 -8.0761 -2.3373 -2.3373 -1.8087 -1.8087 -0.5454 -0.5454 -0.5383 -0.5383 -0.4439 -0.4439 -0.2556 -0.2556 0.1619 0.1619 0.2128 0.2128 0.3093 0.3093 0.4348 0.4348 0.5187 0.5187 0.7060 0.7060 3.8598 3.8598 7.1975 7.1975 7.3355 7.3355 8.2384 8.2384 8.3779 8.3779 8.4693 8.4693 9.5148 9.5148 9.6441 9.6441 11.0539 11.0539 11.5529 11.5529 k = 0.0204 0.0353-0.0000 ( 3393 PWs) bands (ev): -26.4448 -26.4448 -9.2722 -9.2722 -8.1874 -8.1874 -8.0749 -8.0749 -2.3431 -2.3431 -1.8091 -1.8091 -0.5472 -0.5472 -0.5395 -0.5395 -0.4438 -0.4438 -0.2567 -0.2567 0.1612 0.1612 0.2148 0.2148 0.3085 0.3085 0.4327 0.4327 0.5203 0.5203 0.7033 0.7033 3.8485 3.8485 7.2604 7.2604 7.3446 7.3446 8.3350 8.3350 8.3874 8.3874 8.4867 8.4867 9.4379 9.4379 9.6036 9.6036 11.0348 11.0348 11.5169 11.5169 k = 0.0136 0.0236-0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2719 -9.2719 -8.1873 -8.1873 -8.0740 -8.0740 -2.3473 -2.3473 -1.8095 -1.8095 -0.5485 -0.5485 -0.5403 -0.5403 -0.4438 -0.4438 -0.2574 -0.2574 0.1606 0.1606 0.2165 0.2165 0.3079 0.3079 0.4312 0.4312 0.5216 0.5216 0.7014 0.7014 3.8405 3.8405 7.3066 7.3066 7.3529 7.3529 8.3733 8.3733 8.4313 8.4313 8.5023 8.5023 9.3711 9.3711 9.5748 9.5748 11.0204 11.0204 11.4906 11.4906 k = 0.0068 0.0118-0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0734 -8.0734 -2.3499 -2.3499 -1.8097 -1.8097 -0.5492 -0.5492 -0.5408 -0.5408 -0.4437 -0.4437 -0.2578 -0.2578 0.1603 0.1603 0.2175 0.2175 0.3075 0.3075 0.4302 0.4302 0.5223 0.5223 0.7003 0.7003 3.8357 3.8357 7.3316 7.3316 7.3620 7.3620 8.3744 8.3744 8.4794 8.4794 8.5177 8.5177 9.3237 9.3237 9.5576 9.5576 11.0115 11.0115 11.4746 11.4746 k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0733 -8.0733 -2.3507 -2.3507 -1.8097 -1.8097 -0.5495 -0.5495 -0.5410 -0.5410 -0.4437 -0.4437 -0.2580 -0.2580 0.1602 0.1602 0.2178 0.2178 0.3073 0.3073 0.4299 0.4299 0.5225 0.5225 0.6999 0.6999 3.8341 3.8341 7.3381 7.3381 7.3672 7.3672 8.3740 8.3740 8.4927 8.4927 8.5279 8.5279 9.3062 9.3062 9.5519 9.5519 11.0085 11.0085 11.4691 11.4692 k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0733 -8.0733 -2.3507 -2.3507 -1.8097 -1.8097 -0.5495 -0.5495 -0.5410 -0.5410 -0.4437 -0.4437 -0.2580 -0.2580 0.1602 0.1602 0.2178 0.2178 0.3073 0.3073 0.4299 0.4299 0.5225 0.5225 0.6999 0.6999 3.8341 3.8341 7.3381 7.3381 7.3672 7.3672 8.3740 8.3740 8.4927 8.4927 8.5279 8.5279 9.3062 9.3062 9.5519 9.5519 11.0085 11.0085 11.4691 11.4691 k = 0.0000 0.0000 0.0136 ( 3381 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0733 -8.0733 -2.3499 -2.3499 -1.8102 -1.8102 -0.5495 -0.5495 -0.5409 -0.5409 -0.4437 -0.4437 -0.2582 -0.2582 0.1602 0.1602 0.2179 0.2179 0.3066 0.3066 0.4300 0.4300 0.5225 0.5225 0.6987 0.6987 3.8380 3.8380 7.3391 7.3391 7.3682 7.3682 8.3590 8.3590 8.4897 8.4897 8.5257 8.5257 9.3178 9.3178 9.5555 9.5555 11.0104 11.0104 11.4709 11.4709 k = 0.0000 0.0000 0.0271 ( 3393 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1873 -8.1873 -8.0733 -8.0733 -2.3473 -2.3473 -1.8115 -1.8115 -0.5497 -0.5497 -0.5408 -0.5408 -0.4436 -0.4436 -0.2588 -0.2588 0.1603 0.1603 0.2180 0.2180 0.3046 0.3046 0.4303 0.4303 0.5223 0.5223 0.6951 0.6951 3.8498 3.8498 7.3423 7.3423 7.3714 7.3714 8.3162 8.3162 8.4816 8.4816 8.5192 8.5192 9.3481 9.3481 9.5677 9.5677 11.0160 11.0160 11.4759 11.4759 k = 0.0000 0.0000 0.0407 ( 3405 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1874 -8.1874 -8.0733 -8.0733 -2.3431 -2.3431 -1.8137 -1.8137 -0.5499 -0.5499 -0.5406 -0.5406 -0.4435 -0.4435 -0.2599 -0.2599 0.1604 0.1604 0.2181 0.2181 0.3012 0.3012 0.4307 0.4307 0.5221 0.5221 0.6892 0.6892 3.8693 3.8693 7.3476 7.3476 7.3768 7.3768 8.2509 8.2509 8.4694 8.4694 8.5086 8.5086 9.3861 9.3861 9.5928 9.5928 11.0257 11.0257 11.4840 11.4840 k = 0.0000 0.0000 0.0543 ( 3405 PWs) bands (ev): -26.4449 -26.4449 -9.2717 -9.2717 -8.1874 -8.1874 -8.0733 -8.0733 -2.3372 -2.3372 -1.8168 -1.8168 -0.5501 -0.5501 -0.5403 -0.5403 -0.4432 -0.4432 -0.2614 -0.2614 0.1607 0.1607 0.2183 0.2183 0.2966 0.2966 0.4313 0.4313 0.5218 0.5218 0.6815 0.6815 3.8962 3.8962 7.3550 7.3550 7.3842 7.3842 8.1696 8.1696 8.4537 8.4537 8.4938 8.4938 9.4196 9.4196 9.6362 9.6362 11.0398 11.0398 11.4947 11.4947 k = 0.0000 0.0000 0.0678 ( 3399 PWs) bands (ev): -26.4449 -26.4449 -9.2718 -9.2718 -8.1875 -8.1875 -8.0733 -8.0733 -2.3296 -2.3296 -1.8208 -1.8208 -0.5505 -0.5505 -0.5400 -0.5400 -0.4430 -0.4430 -0.2633 -0.2633 0.1609 0.1609 0.2186 0.2186 0.2907 0.2907 0.4321 0.4321 0.5214 0.5214 0.6721 0.6721 3.9300 3.9300 7.3644 7.3644 7.3938 7.3938 8.0777 8.0777 8.4344 8.4344 8.4753 8.4753 9.4425 9.4425 9.6979 9.6979 11.0590 11.0590 11.5074 11.5074 k = 0.0000 0.0000 0.0814 ( 3405 PWs) bands (ev): -26.4449 -26.4449 -9.2718 -9.2718 -8.1876 -8.1876 -8.0733 -8.0733 -2.3206 -2.3206 -1.8257 -1.8257 -0.5508 -0.5508 -0.5396 -0.5396 -0.4427 -0.4427 -0.2656 -0.2656 0.1612 0.1612 0.2189 0.2189 0.2835 0.2835 0.4330 0.4330 0.5210 0.5210 0.6614 0.6614 3.9702 3.9702 7.3759 7.3759 7.4054 7.4054 7.9791 7.9791 8.4117 8.4117 8.4532 8.4532 9.4566 9.4566 9.7717 9.7717 11.0842 11.0842 11.5214 11.5214 k = 0.0000 0.0000 0.0949 ( 3417 PWs) bands (ev): -26.4449 -26.4449 -9.2718 -9.2718 -8.1877 -8.1877 -8.0733 -8.0733 -2.3100 -2.3100 -1.8315 -1.8315 -0.5512 -0.5512 -0.5392 -0.5392 -0.4423 -0.4423 -0.2683 -0.2683 0.1616 0.1616 0.2193 0.2193 0.2753 0.2753 0.4339 0.4339 0.5205 0.5205 0.6498 0.6498 4.0164 4.0164 7.3895 7.3895 7.4191 7.4191 7.8765 7.8765 8.3860 8.3860 8.4279 8.4279 9.4654 9.4654 9.8506 9.8506 11.1162 11.1162 11.5359 11.5359 k = 0.0000 0.0000 0.1085 ( 3418 PWs) bands (ev): -26.4449 -26.4449 -9.2719 -9.2719 -8.1879 -8.1879 -8.0733 -8.0733 -2.2979 -2.2979 -1.8383 -1.8383 -0.5516 -0.5516 -0.5388 -0.5388 -0.4419 -0.4419 -0.2714 -0.2714 0.1620 0.1620 0.2197 0.2197 0.2660 0.2660 0.4349 0.4349 0.5200 0.5200 0.6379 0.6379 4.0677 4.0677 7.4050 7.4050 7.4348 7.4348 7.7717 7.7717 8.3573 8.3573 8.3996 8.3996 9.4712 9.4712 9.9295 9.9295 11.1563 11.1563 11.5501 11.5501 k = 0.0000 0.0000 0.1221 ( 3418 PWs) bands (ev): -26.4449 -26.4449 -9.2719 -9.2719 -8.1880 -8.1880 -8.0733 -8.0733 -2.2845 -2.2845 -1.8461 -1.8461 -0.5519 -0.5519 -0.5384 -0.5384 -0.4414 -0.4414 -0.2748 -0.2748 0.1624 0.1624 0.2201 0.2201 0.2559 0.2559 0.4360 0.4360 0.5195 0.5195 0.6258 0.6258 4.1236 4.1236 7.4225 7.4225 7.4525 7.4525 7.6662 7.6662 8.3261 8.3261 8.3687 8.3687 9.4753 9.4753 10.0048 10.0048 11.2054 11.2054 11.5632 11.5632 k = 0.0000 0.0000 0.1356 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2720 -9.2720 -8.1881 -8.1881 -8.0733 -8.0733 -2.2699 -2.2699 -1.8549 -1.8549 -0.5524 -0.5524 -0.5380 -0.5380 -0.4409 -0.4409 -0.2786 -0.2786 0.1627 0.1627 0.2205 0.2205 0.2450 0.2450 0.4371 0.4371 0.5189 0.5189 0.6140 0.6140 4.1831 4.1831 7.4418 7.4418 7.4720 7.4720 7.5612 7.5612 8.2928 8.2928 8.3356 8.3356 9.4785 9.4785 10.0741 10.0741 11.2646 11.2646 11.5745 11.5745 k = 0.0000 0.0000 0.1492 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2720 -9.2720 -8.1883 -8.1883 -8.0733 -8.0733 -2.2541 -2.2541 -1.8646 -1.8646 -0.5527 -0.5527 -0.5376 -0.5376 -0.4404 -0.4404 -0.2826 -0.2826 0.1631 0.1631 0.2210 0.2210 0.2338 0.2338 0.4382 0.4382 0.5183 0.5183 0.6027 0.6027 4.2455 4.2455 7.4542 7.4542 7.4663 7.4663 7.4934 7.4934 8.2575 8.2575 8.3007 8.3007 9.4809 9.4809 10.1358 10.1358 11.3343 11.3343 11.5838 11.5838 k = 0.0000 0.0000 0.1628 ( 3424 PWs) bands (ev): -26.4449 -26.4449 -9.2721 -9.2721 -8.1884 -8.1884 -8.0733 -8.0733 -2.2372 -2.2372 -1.8754 -1.8754 -0.5531 -0.5531 -0.5372 -0.5372 -0.4398 -0.4398 -0.2868 -0.2868 0.1635 0.1635 0.2215 0.2215 0.2224 0.2224 0.4394 0.4394 0.5177 0.5177 0.5921 0.5921 4.3098 4.3098 7.3555 7.3555 7.4865 7.4865 7.5165 7.5165 8.2208 8.2208 8.2642 8.2642 9.4830 9.4830 10.1891 10.1891 11.4144 11.4144 11.5910 11.5910 k = 0.0000 0.0000 0.1763 ( 3418 PWs) bands (ev): -26.4449 -26.4449 -9.2721 -9.2721 -8.1886 -8.1886 -8.0733 -8.0733 -2.2194 -2.2194 -1.8872 -1.8872 -0.5534 -0.5534 -0.5368 -0.5368 -0.4392 -0.4392 -0.2912 -0.2912 0.1637 0.1637 0.2112 0.2112 0.2219 0.2219 0.4405 0.4405 0.5171 0.5171 0.5824 0.5824 4.3749 4.3749 7.2575 7.2575 7.5112 7.5112 7.5413 7.5413 8.1828 8.1828 8.2265 8.2265 9.4848 9.4848 10.2341 10.2341 11.5033 11.5033 11.5973 11.5973 k = 0.0000 0.0000 0.1899 ( 3424 PWs) bands (ev): -26.4449 -26.4449 -9.2722 -9.2722 -8.1887 -8.1887 -8.0733 -8.0733 -2.2009 -2.2009 -1.9000 -1.9000 -0.5537 -0.5537 -0.5365 -0.5365 -0.4387 -0.4387 -0.2956 -0.2956 0.1639 0.1639 0.2004 0.2004 0.2224 0.2224 0.4416 0.4416 0.5165 0.5165 0.5736 0.5736 4.4397 4.4397 7.1636 7.1636 7.5375 7.5375 7.5677 7.5677 8.1440 8.1440 8.1881 8.1881 9.4863 9.4863 10.2711 10.2711 11.5812 11.5812 11.6221 11.6221 k = 0.0000 0.0000 0.2034 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2722 -9.2722 -8.1888 -8.1888 -8.0733 -8.0733 -2.1817 -2.1817 -1.9138 -1.9138 -0.5540 -0.5540 -0.5362 -0.5362 -0.4381 -0.4381 -0.3000 -0.3000 0.1638 0.1638 0.1905 0.1905 0.2228 0.2228 0.4426 0.4426 0.5160 0.5160 0.5658 0.5658 4.5030 4.5030 7.0752 7.0752 7.5654 7.5654 7.5954 7.5954 8.1047 8.1047 8.1491 8.1491 9.4876 9.4876 10.3009 10.3009 11.5928 11.5928 11.6644 11.6644 k = 0.0000 0.0000 0.2170 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2723 -9.2723 -8.1890 -8.1890 -8.0733 -8.0733 -2.1620 -2.1620 -1.9285 -1.9285 -0.5543 -0.5543 -0.5359 -0.5359 -0.4375 -0.4375 -0.3041 -0.3041 0.1631 0.1631 0.1820 0.1820 0.2231 0.2231 0.4436 0.4436 0.5155 0.5155 0.5590 0.5590 4.5631 4.5631 6.9935 6.9935 7.5945 7.5945 7.6243 7.6243 8.0652 8.0652 8.1101 8.1101 9.4887 9.4887 10.3245 10.3245 11.5936 11.5936 11.6607 11.6607 k = 0.0000 0.0000 0.2306 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2723 -9.2723 -8.1891 -8.1891 -8.0733 -8.0733 -2.1421 -2.1421 -1.9441 -1.9441 -0.5545 -0.5545 -0.5356 -0.5356 -0.4370 -0.4370 -0.3079 -0.3079 0.1614 0.1614 0.1756 0.1756 0.2235 0.2235 0.4444 0.4444 0.5151 0.5151 0.5533 0.5533 4.6186 4.6186 6.9201 6.9201 7.6248 7.6248 7.6541 7.6541 8.0259 8.0259 8.0716 8.0716 9.4897 9.4897 10.3428 10.3428 11.5927 11.5927 11.6568 11.6568 k = 0.0000 0.0000 0.2441 ( 3442 PWs) bands (ev): -26.4449 -26.4449 -9.2723 -9.2723 -8.1891 -8.1891 -8.0733 -8.0733 -2.1220 -2.1220 -1.9604 -1.9604 -0.5547 -0.5547 -0.5354 -0.5354 -0.4366 -0.4366 -0.3112 -0.3112 0.1582 0.1582 0.1719 0.1719 0.2237 0.2237 0.4452 0.4452 0.5147 0.5147 0.5486 0.5486 4.6677 4.6677 6.8565 6.8565 7.6557 7.6557 7.6842 7.6842 7.9874 7.9874 8.0341 8.0341 9.4905 9.4905 10.3567 10.3567 11.5912 11.5912 11.6530 11.6530 k = 0.0000 0.0000 0.2577 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1892 -8.1892 -8.0733 -8.0733 -2.1021 -2.1021 -1.9773 -1.9773 -0.5549 -0.5549 -0.5353 -0.5353 -0.4362 -0.4362 -0.3140 -0.3140 0.1543 0.1543 0.1704 0.1704 0.2240 0.2240 0.4458 0.4458 0.5144 0.5144 0.5450 0.5450 4.7085 4.7085 6.8046 6.8046 7.6867 7.6867 7.7136 7.7136 7.9505 7.9505 7.9988 7.9988 9.4911 9.4911 10.3668 10.3668 11.5896 11.5896 11.6498 11.6498 k = 0.0000 0.0000 0.2713 ( 3442 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0733 -8.0733 -2.0830 -2.0830 -1.9942 -1.9942 -0.5550 -0.5550 -0.5351 -0.5351 -0.4359 -0.4359 -0.3161 -0.3161 0.1509 0.1509 0.1698 0.1698 0.2241 0.2241 0.4462 0.4462 0.5142 0.5142 0.5424 0.5424 4.7392 4.7392 6.7660 6.7660 7.7160 7.7160 7.7407 7.7407 7.9168 7.9168 7.9676 7.9676 9.4916 9.4916 10.3736 10.3736 11.5883 11.5883 11.6473 11.6473 k = 0.0000 0.0000 0.2848 ( 3436 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0733 -8.0733 -2.0662 -2.0662 -2.0096 -2.0096 -0.5550 -0.5550 -0.5351 -0.5351 -0.4357 -0.4357 -0.3173 -0.3173 0.1487 0.1487 0.1695 0.1695 0.2242 0.2242 0.4465 0.4465 0.5140 0.5140 0.5409 0.5409 4.7583 4.7583 6.7421 6.7421 7.7400 7.7400 7.7615 7.7615 7.8902 7.8902 7.9442 7.9442 9.4919 9.4919 10.3775 10.3775 11.5874 11.5874 11.6457 11.6457 k = 0.0000 0.0000 0.2984 ( 3424 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0733 -8.0733 -2.0578 -2.0578 -2.0176 -2.0176 -0.5550 -0.5550 -0.5350 -0.5350 -0.4356 -0.4356 -0.3177 -0.3177 0.1480 0.1480 0.1695 0.1695 0.2243 0.2243 0.4466 0.4466 0.5140 0.5140 0.5404 0.5404 4.7648 4.7648 6.7341 6.7341 7.7502 7.7502 7.7697 7.7697 7.8792 7.8792 7.9351 7.9351 9.4920 9.4920 10.3788 10.3788 11.5870 11.5870 11.6452 11.6452 k = 0.0000 0.0000 0.2984 ( 3424 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0733 -8.0733 -2.0578 -2.0578 -2.0176 -2.0176 -0.5550 -0.5550 -0.5350 -0.5350 -0.4356 -0.4356 -0.3177 -0.3177 0.1480 0.1480 0.1695 0.1695 0.2243 0.2243 0.4466 0.4466 0.5140 0.5140 0.5404 0.5404 4.7648 4.7648 6.7341 6.7341 7.7502 7.7502 7.7697 7.7697 7.8792 7.8792 7.9351 7.9351 9.4920 9.4920 10.3788 10.3788 11.5870 11.5870 11.6452 11.6452 k = 0.0119 0.0069 0.2984 ( 3434 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0735 -8.0735 -2.0573 -2.0573 -2.0172 -2.0172 -0.5547 -0.5547 -0.5349 -0.5349 -0.4358 -0.4358 -0.3174 -0.3174 0.1476 0.1476 0.1699 0.1699 0.2248 0.2248 0.4468 0.4468 0.5138 0.5138 0.5405 0.5405 4.7648 4.7648 6.7344 6.7344 7.7459 7.7459 7.7634 7.7634 7.8741 7.8741 7.9282 7.9282 9.5060 9.5060 10.3816 10.3816 11.5899 11.5899 11.6476 11.6476 k = 0.0238 0.0137 0.2984 ( 3438 PWs) bands (ev): -26.4449 -26.4449 -9.2726 -9.2726 -8.1894 -8.1894 -8.0740 -8.0740 -2.0558 -2.0558 -2.0161 -2.0161 -0.5536 -0.5536 -0.5345 -0.5345 -0.4363 -0.4363 -0.3163 -0.3163 0.1465 0.1465 0.1710 0.1710 0.2264 0.2264 0.4473 0.4473 0.5132 0.5132 0.5410 0.5410 4.7645 4.7645 6.7353 6.7353 7.7285 7.7285 7.7481 7.7481 7.8536 7.8536 7.9156 7.9156 9.5465 9.5465 10.3901 10.3901 11.5978 11.5978 11.6551 11.6551 k = 0.0357 0.0206 0.2984 ( 3434 PWs) bands (ev): -26.4448 -26.4448 -9.2729 -9.2729 -8.1894 -8.1894 -8.0749 -8.0749 -2.0533 -2.0533 -2.0143 -2.0143 -0.5519 -0.5519 -0.5338 -0.5338 -0.4370 -0.4370 -0.3145 -0.3145 0.1449 0.1449 0.1726 0.1726 0.2290 0.2290 0.4482 0.4482 0.5122 0.5122 0.5418 0.5418 4.7642 4.7642 6.7365 6.7365 7.6883 7.6883 7.7306 7.7306 7.8149 7.8149 7.9076 7.9076 9.6089 9.6089 10.4042 10.4042 11.6080 11.6080 11.6693 11.6693 k = 0.0476 0.0275 0.2984 ( 3430 PWs) bands (ev): -26.4447 -26.4447 -9.2733 -9.2733 -8.1895 -8.1895 -8.0762 -8.0762 -2.0499 -2.0499 -2.0118 -2.0118 -0.5494 -0.5494 -0.5329 -0.5329 -0.4380 -0.4380 -0.3120 -0.3120 0.1432 0.1432 0.1745 0.1745 0.2326 0.2326 0.4495 0.4495 0.5108 0.5108 0.5431 0.5431 4.7636 4.7636 6.7376 6.7376 7.6242 7.6242 7.7095 7.7095 7.7685 7.7685 7.9028 7.9028 9.6872 9.6872 10.4244 10.4244 11.6168 11.6168 11.6924 11.6924 k = 0.0595 0.0344 0.2984 ( 3424 PWs) bands (ev): -26.4446 -26.4446 -9.2738 -9.2738 -8.1896 -8.1896 -8.0778 -8.0778 -2.0455 -2.0455 -2.0086 -2.0086 -0.5462 -0.5462 -0.5317 -0.5317 -0.4392 -0.4392 -0.3089 -0.3089 0.1416 0.1416 0.1765 0.1765 0.2369 0.2369 0.4511 0.4511 0.5090 0.5090 0.5448 0.5448 4.7628 4.7628 6.7377 6.7377 7.5407 7.5407 7.6832 7.6832 7.7207 7.7207 7.8986 7.8986 9.7755 9.7755 10.4509 10.4509 11.6209 11.6209 11.7252 11.7252 k = 0.0714 0.0412 0.2984 ( 3416 PWs) bands (ev): -26.4445 -26.4445 -9.2744 -9.2744 -8.1898 -8.1898 -8.0798 -8.0798 -2.0402 -2.0402 -2.0048 -2.0048 -0.5424 -0.5424 -0.5301 -0.5301 -0.4404 -0.4404 -0.3052 -0.3052 0.1402 0.1402 0.1785 0.1785 0.2418 0.2418 0.4532 0.4532 0.5067 0.5067 0.5471 0.5471 4.7617 4.7617 6.7353 6.7353 7.4452 7.4452 7.6501 7.6501 7.6729 7.6729 7.8941 7.8941 9.8684 9.8684 10.4846 10.4846 11.6183 11.6183 11.7669 11.7669 k = 0.0833 0.0481 0.2984 ( 3420 PWs) bands (ev): -26.4443 -26.4443 -9.2752 -9.2752 -8.1900 -8.1900 -8.0820 -8.0820 -2.0341 -2.0341 -2.0003 -2.0003 -0.5379 -0.5379 -0.5283 -0.5283 -0.4418 -0.4418 -0.3010 -0.3010 0.1392 0.1392 0.1806 0.1806 0.2471 0.2471 0.4557 0.4557 0.5040 0.5040 0.5501 0.5501 4.7601 4.7601 6.7280 6.7280 7.3455 7.3455 7.6065 7.6065 7.6282 7.6282 7.8889 7.8889 9.9606 9.9606 10.5264 10.5264 11.6070 11.6070 11.8164 11.8164 k = 0.0952 0.0550 0.2984 ( 3426 PWs) bands (ev): -26.4441 -26.4441 -9.2760 -9.2760 -8.1903 -8.1903 -8.0846 -8.0846 -2.0273 -2.0273 -1.9951 -1.9951 -0.5331 -0.5331 -0.5260 -0.5260 -0.4431 -0.4431 -0.2963 -0.2963 0.1385 0.1385 0.1827 0.1827 0.2526 0.2526 0.4585 0.4585 0.5009 0.5009 0.5538 0.5538 4.7581 4.7581 6.7115 6.7115 7.2495 7.2495 7.5529 7.5529 7.5862 7.5862 7.8830 7.8830 10.0477 10.0477 10.5774 10.5774 11.5854 11.5854 11.8726 11.8726 k = 0.1071 0.0619 0.2984 ( 3428 PWs) bands (ev): -26.4439 -26.4439 -9.2770 -9.2770 -8.1906 -8.1906 -8.0873 -8.0873 -2.0198 -2.0198 -1.9893 -1.9893 -0.5282 -0.5282 -0.5226 -0.5226 -0.4444 -0.4444 -0.2913 -0.2913 0.1382 0.1382 0.1849 0.1849 0.2582 0.2582 0.4617 0.4617 0.4976 0.4976 0.5583 0.5583 4.7555 4.7555 6.6793 6.6793 7.1659 7.1659 7.4939 7.4939 7.5428 7.5428 7.8763 7.8763 10.1261 10.1261 10.6379 10.6379 11.5526 11.5526 11.9345 11.9345 k = 0.1190 0.0687 0.2984 ( 3424 PWs) bands (ev): -26.4437 -26.4437 -9.2780 -9.2780 -8.1909 -8.1909 -8.0903 -8.0903 -2.0117 -2.0117 -1.9829 -1.9829 -0.5244 -0.5244 -0.5175 -0.5175 -0.4456 -0.4456 -0.2858 -0.2858 0.1385 0.1385 0.1873 0.1873 0.2636 0.2636 0.4650 0.4650 0.4942 0.4942 0.5639 0.5639 4.7521 4.7521 6.6246 6.6246 7.1031 7.1031 7.4317 7.4317 7.4969 7.4969 7.8689 7.8689 10.1939 10.1939 10.7070 10.7070 11.5089 11.5089 12.0012 12.0012 k = 0.1310 0.0756 0.2984 ( 3424 PWs) bands (ev): -26.4435 -26.4435 -9.2792 -9.2792 -8.1914 -8.1914 -8.0935 -8.0935 -2.0033 -2.0033 -1.9758 -1.9758 -0.5212 -0.5212 -0.5108 -0.5108 -0.4465 -0.4465 -0.2800 -0.2800 0.1394 0.1394 0.1897 0.1897 0.2687 0.2687 0.4679 0.4679 0.4913 0.4913 0.5707 0.5707 4.7478 4.7478 6.5451 6.5451 7.0647 7.0647 7.3671 7.3671 7.4485 7.4485 7.8608 7.8608 10.2507 10.2507 10.7817 10.7817 11.4561 11.4561 12.0716 12.0716 k = 0.1429 0.0825 0.2984 ( 3422 PWs) bands (ev): -26.4432 -26.4432 -9.2804 -9.2804 -8.1919 -8.1919 -8.0969 -8.0969 -1.9946 -1.9946 -1.9680 -1.9680 -0.5183 -0.5183 -0.5031 -0.5031 -0.4472 -0.4472 -0.2738 -0.2738 0.1407 0.1407 0.1924 0.1924 0.2733 0.2733 0.4696 0.4696 0.4895 0.4895 0.5788 0.5788 4.7425 4.7425 6.4451 6.4451 7.0470 7.0470 7.3007 7.3007 7.3980 7.3980 7.8520 7.8520 10.2978 10.2978 10.8578 10.8578 11.3969 11.3969 12.1443 12.1443 k = 0.1548 0.0894 0.2984 ( 3418 PWs) bands (ev): -26.4429 -26.4429 -9.2817 -9.2817 -8.1925 -8.1925 -8.1004 -8.1004 -1.9857 -1.9857 -1.9595 -1.9595 -0.5152 -0.5152 -0.4949 -0.4949 -0.4473 -0.4473 -0.2674 -0.2674 0.1427 0.1427 0.1952 0.1952 0.2775 0.2775 0.4689 0.4689 0.4901 0.4901 0.5885 0.5885 4.7360 4.7360 6.3316 6.3316 7.0438 7.0438 7.2333 7.2333 7.3459 7.3459 7.8426 7.8426 10.3365 10.3365 10.9299 10.9299 11.3347 11.3347 12.2122 12.2142 k = 0.1667 0.0962 0.2984 ( 3422 PWs) bands (ev): -26.4426 -26.4426 -9.2831 -9.2831 -8.1932 -8.1932 -8.1039 -8.1039 -1.9770 -1.9770 -1.9502 -1.9502 -0.5121 -0.5121 -0.4866 -0.4866 -0.4469 -0.4469 -0.2606 -0.2606 0.1453 0.1453 0.1983 0.1983 0.2810 0.2810 0.4659 0.4659 0.4927 0.4927 0.5997 0.5997 4.7281 4.7281 6.2100 6.2100 7.0497 7.0497 7.1656 7.1656 7.2925 7.2925 7.8326 7.8326 10.3681 10.3681 10.9926 10.9926 11.2736 11.2736 12.2254 12.2254 k = 0.1786 0.1031 0.2984 ( 3426 PWs) bands (ev): -26.4423 -26.4423 -9.2846 -9.2846 -8.1941 -8.1941 -8.1075 -8.1075 -1.9684 -1.9684 -1.9402 -1.9402 -0.5089 -0.5089 -0.4785 -0.4785 -0.4453 -0.4453 -0.2535 -0.2535 0.1484 0.1484 0.2016 0.2016 0.2838 0.2838 0.4615 0.4615 0.4965 0.4965 0.6127 0.6127 4.7185 4.7185 6.0841 6.0841 7.0597 7.0597 7.1000 7.1000 7.2381 7.2381 7.8220 7.8220 10.3931 10.3931 11.0389 11.0389 11.2195 11.2195 12.1894 12.1894 k = 0.1905 0.1100 0.2984 ( 3418 PWs) bands (ev): -26.4420 -26.4420 -9.2862 -9.2862 -8.1950 -8.1950 -8.1110 -8.1110 -1.9600 -1.9600 -1.9296 -1.9296 -0.5056 -0.5056 -0.4714 -0.4714 -0.4418 -0.4418 -0.2461 -0.2461 0.1520 0.1520 0.2053 0.2053 0.2861 0.2861 0.4564 0.4564 0.5008 0.5008 0.6274 0.6274 4.7072 4.7072 5.9562 5.9562 7.0260 7.0260 7.0827 7.0827 7.1833 7.1833 7.8108 7.8108 10.4117 10.4117 11.0581 11.0581 11.1837 11.1837 12.1215 12.1215 k = 0.2024 0.1168 0.2984 ( 3408 PWs) bands (ev): -26.4417 -26.4417 -9.2878 -9.2878 -8.1961 -8.1961 -8.1145 -8.1145 -1.9519 -1.9519 -1.9185 -1.9185 -0.5022 -0.5022 -0.4662 -0.4662 -0.4359 -0.4359 -0.2384 -0.2384 0.1562 0.1562 0.2094 0.2094 0.2877 0.2877 0.4511 0.4511 0.5052 0.5052 0.6439 0.6439 4.6939 4.6939 5.8277 5.8277 6.9608 6.9608 7.1007 7.1007 7.1283 7.1283 7.7992 7.7992 10.4235 10.4235 11.0434 11.0434 11.1745 11.1745 12.0454 12.0454 k = 0.2143 0.1237 0.2984 ( 3404 PWs) bands (ev): -26.4414 -26.4414 -9.2895 -9.2895 -8.1974 -8.1974 -8.1179 -8.1179 -1.9441 -1.9441 -1.9070 -1.9070 -0.4987 -0.4987 -0.4628 -0.4628 -0.4275 -0.4275 -0.2304 -0.2304 0.1607 0.1607 0.2140 0.2140 0.2887 0.2887 0.4455 0.4455 0.5096 0.5096 0.6618 0.6618 4.6783 4.6783 5.6997 5.6997 6.8958 6.8958 7.0729 7.0729 7.1226 7.1226 7.7872 7.7872 10.4278 10.4278 11.0137 11.0137 11.1757 11.1757 11.9647 11.9647 k = 0.2262 0.1306 0.2984 ( 3408 PWs) bands (ev): -26.4410 -26.4410 -9.2913 -9.2913 -8.1989 -8.1989 -8.1212 -8.1212 -1.9365 -1.9365 -1.8952 -1.8952 -0.4951 -0.4951 -0.4606 -0.4606 -0.4173 -0.4173 -0.2220 -0.2220 0.1655 0.1655 0.2193 0.2193 0.2892 0.2892 0.4399 0.4399 0.5140 0.5140 0.6812 0.6812 4.6603 4.6603 5.5730 5.5730 6.8323 6.8323 7.0184 7.0184 7.1458 7.1458 7.7749 7.7749 10.4242 10.4242 10.9863 10.9863 11.1734 11.1734 11.8811 11.8811 k = 0.2381 0.1375 0.2984 ( 3408 PWs) bands (ev): -26.4407 -26.4407 -9.2930 -9.2930 -8.2006 -8.2006 -8.1242 -8.1242 -1.9292 -1.9292 -1.8833 -1.8833 -0.4915 -0.4915 -0.4590 -0.4590 -0.4063 -0.4063 -0.2132 -0.2132 0.1704 0.1704 0.2253 0.2253 0.2892 0.2892 0.4344 0.4344 0.5185 0.5185 0.7019 0.7019 4.6396 4.6396 5.4483 5.4483 6.7708 6.7708 6.9644 6.9644 7.1704 7.1704 7.7622 7.7622 10.4128 10.4128 10.9671 10.9671 11.1643 11.1643 11.7956 11.7956 k = 0.2500 0.1443 0.2984 ( 3398 PWs) bands (ev): -26.4403 -26.4403 -9.2948 -9.2948 -8.2024 -8.2024 -8.1271 -8.1271 -1.9221 -1.9221 -1.8714 -1.8714 -0.4880 -0.4880 -0.4576 -0.4576 -0.3947 -0.3947 -0.2040 -0.2040 0.1753 0.1753 0.2322 0.2322 0.2887 0.2887 0.4292 0.4292 0.5231 0.5231 0.7235 0.7235 4.6162 4.6162 5.3260 5.3260 6.7117 6.7117 6.9113 6.9113 7.1959 7.1959 7.7494 7.7494 10.3945 10.3945 10.9572 10.9572 11.1488 11.1488 11.7092 11.7092 k = 0.2619 0.1512 0.2984 ( 3406 PWs) bands (ev): -26.4400 -26.4400 -9.2967 -9.2967 -8.2044 -8.2044 -8.1297 -8.1297 -1.9154 -1.9154 -1.8596 -1.8596 -0.4844 -0.4844 -0.4563 -0.4563 -0.3830 -0.3830 -0.1944 -0.1944 0.1799 0.1799 0.2399 0.2399 0.2880 0.2880 0.4243 0.4243 0.5279 0.5279 0.7459 0.7459 4.5898 4.5898 5.2068 5.2068 6.6553 6.6553 6.8593 6.8593 7.2220 7.2220 7.7365 7.7365 10.3712 10.3712 10.9559 10.9559 11.1281 11.1281 11.6230 11.6230 k = 0.2738 0.1581 0.2984 ( 3414 PWs) bands (ev): -26.4397 -26.4397 -9.2985 -9.2985 -8.2066 -8.2066 -8.1321 -8.1321 -1.9089 -1.9089 -1.8480 -1.8480 -0.4809 -0.4809 -0.4549 -0.4549 -0.3714 -0.3714 -0.1844 -0.1844 0.1841 0.1841 0.2485 0.2485 0.2870 0.2870 0.4199 0.4199 0.5330 0.5330 0.7689 0.7689 4.5603 4.5603 5.0912 5.0912 6.6018 6.6018 6.8087 6.8087 7.2485 7.2485 7.7235 7.7235 10.3445 10.3445 10.9614 10.9614 11.1033 11.1033 11.5381 11.5381 k = 0.2857 0.1650 0.2984 ( 3410 PWs) bands (ev): -26.4393 -26.4393 -9.3003 -9.3003 -8.2090 -8.2090 -8.1342 -8.1342 -1.9028 -1.9028 -1.8367 -1.8367 -0.4775 -0.4775 -0.4535 -0.4535 -0.3601 -0.3601 -0.1739 -0.1739 0.1879 0.1879 0.2576 0.2576 0.2860 0.2860 0.4163 0.4163 0.5386 0.5386 0.7921 0.7921 4.5276 4.5276 4.9796 4.9796 6.5514 6.5514 6.7595 6.7595 7.2752 7.2752 7.7106 7.7106 10.3165 10.3165 10.9713 10.9713 11.0760 11.0760 11.4555 11.4555 k = 0.2976 0.1718 0.2984 ( 3410 PWs) bands (ev): -26.4390 -26.4390 -9.3021 -9.3021 -8.2115 -8.2115 -8.1361 -8.1361 -1.8969 -1.8969 -1.8257 -1.8257 -0.4742 -0.4742 -0.4520 -0.4520 -0.3492 -0.3492 -0.1630 -0.1630 0.1913 0.1913 0.2663 0.2663 0.2856 0.2856 0.4136 0.4136 0.5449 0.5449 0.8152 0.8152 4.4916 4.4916 4.8728 4.8728 6.5042 6.5042 6.7121 6.7121 7.3020 7.3020 7.6979 7.6979 10.2884 10.2884 10.9812 10.9812 11.0493 11.0493 11.3766 11.3766 k = 0.3095 0.1787 0.2984 ( 3412 PWs) bands (ev): -26.4387 -26.4387 -9.3039 -9.3039 -8.2141 -8.2141 -8.1377 -8.1377 -1.8914 -1.8914 -1.8151 -1.8151 -0.4709 -0.4709 -0.4504 -0.4504 -0.3389 -0.3389 -0.1518 -0.1518 0.1942 0.1942 0.2725 0.2725 0.2874 0.2874 0.4123 0.4123 0.5521 0.5521 0.8380 0.8380 4.4521 4.4521 4.7712 4.7712 6.4603 6.4603 6.6665 6.6665 7.3286 7.3286 7.6853 7.6853 10.2613 10.2613 10.9786 10.9786 11.0340 11.0340 11.3035 11.3035 k = 0.3214 0.1856 0.2984 ( 3408 PWs) bands (ev): -26.4384 -26.4384 -9.3057 -9.3057 -8.2168 -8.2168 -8.1391 -8.1391 -1.8863 -1.8863 -1.8050 -1.8050 -0.4678 -0.4678 -0.4487 -0.4487 -0.3293 -0.3293 -0.1403 -0.1403 0.1966 0.1966 0.2740 0.2740 0.2932 0.2932 0.4126 0.4126 0.5604 0.5604 0.8602 0.8602 4.4091 4.4091 4.6758 4.6758 6.4197 6.4197 6.6230 6.6230 7.3550 7.3550 7.6731 7.6731 10.2357 10.2357 10.9529 10.9529 11.0379 11.0379 11.2394 11.2394 k = 0.3333 0.1925 0.2984 ( 3404 PWs) bands (ev): -26.4381 -26.4381 -9.3074 -9.3074 -8.2194 -8.2194 -8.1403 -8.1403 -1.8815 -1.8815 -1.7954 -1.7954 -0.4648 -0.4648 -0.4470 -0.4470 -0.3203 -0.3203 -0.1286 -0.1286 0.1987 0.1987 0.2728 0.2728 0.3002 0.3002 0.4148 0.4148 0.5702 0.5702 0.8813 0.8813 4.3625 4.3625 4.5871 4.5871 6.3825 6.3825 6.5816 6.5816 7.3809 7.3809 7.6613 7.6613 10.2120 10.2120 10.9164 10.9164 11.0419 11.0419 11.1915 11.1915 k = 0.3452 0.1993 0.2984 ( 3408 PWs) bands (ev): -26.4378 -26.4378 -9.3091 -9.3091 -8.2221 -8.2221 -8.1414 -8.1414 -1.8770 -1.8770 -1.7864 -1.7864 -0.4619 -0.4619 -0.4453 -0.4453 -0.3121 -0.3121 -0.1170 -0.1170 0.2005 0.2005 0.2707 0.2707 0.3062 0.3062 0.4191 0.4191 0.5819 0.5819 0.9010 0.9010 4.3123 4.3123 4.5060 4.5060 6.3484 6.3484 6.5425 6.5425 7.4062 7.4062 7.6501 7.6501 10.1900 10.1900 10.8757 10.8757 11.0284 11.0284 11.1711 11.1711 k = 0.3571 0.2062 0.2984 ( 3406 PWs) bands (ev): -26.4375 -26.4375 -9.3107 -9.3107 -8.2248 -8.2248 -8.1422 -8.1422 -1.8729 -1.8729 -1.7780 -1.7780 -0.4592 -0.4592 -0.4436 -0.4436 -0.3047 -0.3047 -0.1055 -0.1055 0.2020 0.2020 0.2681 0.2681 0.3107 0.3107 0.4251 0.4251 0.5958 0.5958 0.9191 0.9191 4.2590 4.2590 4.4327 4.4327 6.3176 6.3176 6.5059 6.5059 7.4307 7.4307 7.6394 7.6394 10.1697 10.1697 10.8332 10.8332 10.9964 10.9964 11.1775 11.1775 k = 0.3690 0.2131 0.2984 ( 3396 PWs) bands (ev): -26.4372 -26.4372 -9.3122 -9.3122 -8.2273 -8.2273 -8.1429 -8.1429 -1.8691 -1.8691 -1.7702 -1.7702 -0.4565 -0.4565 -0.4420 -0.4420 -0.2980 -0.2980 -0.0942 -0.0942 0.2034 0.2034 0.2652 0.2652 0.3135 0.3135 0.4323 0.4323 0.6122 0.6122 0.9350 0.9350 4.2039 4.2039 4.3668 4.3668 6.2898 6.2898 6.4718 6.4718 7.4542 7.4542 7.6296 7.6296 10.1507 10.1507 10.7906 10.7906 10.9580 10.9580 11.1973 11.1973 k = 0.3810 0.2199 0.2984 ( 3396 PWs) bands (ev): -26.4370 -26.4370 -9.3136 -9.3136 -8.2298 -8.2298 -8.1435 -8.1435 -1.8657 -1.8657 -1.7631 -1.7631 -0.4540 -0.4540 -0.4405 -0.4405 -0.2920 -0.2920 -0.0833 -0.0833 0.2046 0.2046 0.2620 0.2620 0.3149 0.3149 0.4398 0.4398 0.6313 0.6313 0.9484 0.9484 4.1489 4.1489 4.3075 4.3075 6.2649 6.2649 6.4403 6.4403 7.4764 7.4764 7.6206 7.6206 10.1326 10.1326 10.7499 10.7499 10.9199 10.9199 11.2223 11.2223 k = 0.3929 0.2268 0.2984 ( 3396 PWs) bands (ev): -26.4368 -26.4368 -9.3149 -9.3149 -8.2321 -8.2321 -8.1439 -8.1439 -1.8626 -1.8626 -1.7566 -1.7566 -0.4517 -0.4517 -0.4392 -0.4392 -0.2867 -0.2867 -0.0730 -0.0730 0.2058 0.2058 0.2586 0.2586 0.3154 0.3154 0.4472 0.4472 0.6530 0.6530 0.9589 0.9589 4.0958 4.0958 4.2536 4.2536 6.2429 6.2429 6.4116 6.4116 7.4970 7.4970 7.6128 7.6128 10.1153 10.1153 10.7127 10.7127 10.8838 10.8838 11.2493 11.2493 k = 0.4048 0.2337 0.2984 ( 3396 PWs) bands (ev): -26.4366 -26.4366 -9.3161 -9.3161 -8.2342 -8.2342 -8.1443 -8.1443 -1.8599 -1.8599 -1.7508 -1.7508 -0.4494 -0.4494 -0.4381 -0.4381 -0.2820 -0.2820 -0.0634 -0.0634 0.2069 0.2069 0.2550 0.2550 0.3153 0.3153 0.4540 0.4540 0.6771 0.6771 0.9663 0.9663 4.0466 4.0466 4.2042 4.2042 6.2235 6.2235 6.3857 6.3857 7.5154 7.5154 7.6065 7.6065 10.0984 10.0984 10.6803 10.6803 10.8502 10.8502 11.2765 11.2765 k = 0.4167 0.2406 0.2984 ( 3400 PWs) bands (ev): -26.4364 -26.4364 -9.3172 -9.3172 -8.2361 -8.2361 -8.1446 -8.1446 -1.8575 -1.8575 -1.7457 -1.7457 -0.4473 -0.4473 -0.4371 -0.4371 -0.2780 -0.2780 -0.0546 -0.0546 0.2082 0.2082 0.2512 0.2512 0.3148 0.3148 0.4599 0.4599 0.7032 0.7032 0.9703 0.9703 4.0024 4.0024 4.1591 4.1591 6.2067 6.2067 6.3627 6.3627 7.5311 7.5311 7.6022 7.6022 10.0819 10.0819 10.6537 10.6537 10.8190 10.8190 11.3030 11.3030 k = 0.4286 0.2474 0.2984 ( 3400 PWs) bands (ev): -26.4362 -26.4362 -9.3182 -9.3182 -8.2378 -8.2378 -8.1448 -8.1448 -1.8555 -1.8555 -1.7413 -1.7413 -0.4453 -0.4453 -0.4364 -0.4364 -0.2745 -0.2745 -0.0467 -0.0467 0.2096 0.2096 0.2473 0.2473 0.3142 0.3142 0.4649 0.4649 0.7308 0.7308 0.9706 0.9706 3.9641 3.9641 4.1181 4.1181 6.1923 6.1923 6.3426 6.3426 7.5430 7.5430 7.6007 7.6007 10.0661 10.0661 10.6331 10.6331 10.7903 10.7903 11.3280 11.3280 k = 0.4405 0.2543 0.2984 ( 3412 PWs) bands (ev): -26.4361 -26.4361 -9.3190 -9.3190 -8.2393 -8.2393 -8.1450 -8.1450 -1.8537 -1.8537 -1.7375 -1.7375 -0.4435 -0.4435 -0.4359 -0.4359 -0.2716 -0.2716 -0.0399 -0.0399 0.2113 0.2113 0.2434 0.2434 0.3135 0.3135 0.4690 0.4690 0.7591 0.7591 0.9672 0.9672 3.9321 3.9321 4.0816 4.0816 6.1803 6.1803 6.3255 6.3255 7.5503 7.5503 7.6026 7.6026 10.0512 10.0512 10.6184 10.6184 10.7640 10.7640 11.3505 11.3505 k = 0.4524 0.2612 0.2984 ( 3410 PWs) bands (ev): -26.4360 -26.4360 -9.3197 -9.3197 -8.2405 -8.2405 -8.1452 -8.1452 -1.8523 -1.8523 -1.7344 -1.7344 -0.4418 -0.4418 -0.4356 -0.4356 -0.2693 -0.2693 -0.0342 -0.0342 0.2132 0.2132 0.2395 0.2395 0.3129 0.3129 0.4722 0.4722 0.7877 0.7877 0.9600 0.9600 3.9066 3.9066 4.0501 4.0501 6.1706 6.1706 6.3115 6.3115 7.5535 7.5535 7.6072 7.6072 10.0378 10.0378 10.6091 10.6091 10.7406 10.7406 11.3701 11.3701 k = 0.4643 0.2681 0.2984 ( 3412 PWs) bands (ev): -26.4359 -26.4359 -9.3202 -9.3202 -8.2415 -8.2415 -8.1452 -8.1452 -1.8512 -1.8512 -1.7320 -1.7320 -0.4403 -0.4403 -0.4356 -0.4356 -0.2675 -0.2675 -0.0296 -0.0296 0.2153 0.2153 0.2356 0.2356 0.3124 0.3124 0.4747 0.4747 0.8158 0.8158 0.9491 0.9491 3.8875 3.8875 4.0244 4.0244 6.1632 6.1632 6.3006 6.3006 7.5543 7.5543 7.6128 7.6128 10.0266 10.0266 10.6044 10.6044 10.7204 10.7204 11.3861 11.3861 k = 0.4762 0.2749 0.2984 ( 3412 PWs) bands (ev): -26.4358 -26.4358 -9.3206 -9.3206 -8.2422 -8.2422 -8.1453 -8.1453 -1.8505 -1.8505 -1.7303 -1.7303 -0.4390 -0.4390 -0.4358 -0.4358 -0.2662 -0.2662 -0.0263 -0.0263 0.2177 0.2177 0.2320 0.2320 0.3120 0.3120 0.4764 0.4764 0.8426 0.8426 0.9350 0.9350 3.8743 3.8743 4.0052 4.0052 6.1578 6.1578 6.2927 6.2927 7.5540 7.5540 7.6176 7.6176 10.0181 10.0181 10.6030 10.6030 10.7044 10.7044 11.3979 11.3979 k = 0.4881 0.2818 0.2984 ( 3416 PWs) bands (ev): -26.4358 -26.4358 -9.3208 -9.3208 -8.2426 -8.2426 -8.1454 -8.1454 -1.8500 -1.8500 -1.7293 -1.7293 -0.4379 -0.4379 -0.4363 -0.4363 -0.2655 -0.2655 -0.0243 -0.0243 0.2201 0.2201 0.2288 0.2288 0.3117 0.3117 0.4774 0.4774 0.8668 0.8668 0.9185 0.9185 3.8666 3.8666 3.9932 3.9932 6.1547 6.1547 6.2880 6.2880 7.5536 7.5536 7.6209 7.6209 10.0128 10.0128 10.6033 10.6033 10.6938 10.6938 11.4051 11.4051 k = 0.5000 0.2887 0.2984 ( 3416 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2427 -8.2427 -8.1454 -8.1454 -1.8498 -1.8498 -1.7290 -1.7290 -0.4370 -0.4370 -0.4370 -0.4370 -0.2653 -0.2653 -0.0236 -0.0236 0.2214 0.2214 0.2271 0.2271 0.3117 0.3117 0.4777 0.4777 0.8811 0.8811 0.9067 0.9067 3.8641 3.8641 3.9892 3.9892 6.1536 6.1536 6.2865 6.2865 7.5535 7.5535 7.6220 7.6220 10.0110 10.0110 10.6037 10.6037 10.6900 10.6900 11.4076 11.4076 k = 0.5000 0.2887 0.2984 ( 3416 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2427 -8.2427 -8.1454 -8.1454 -1.8498 -1.8498 -1.7290 -1.7290 -0.4370 -0.4370 -0.4370 -0.4370 -0.2653 -0.2653 -0.0236 -0.0236 0.2214 0.2214 0.2271 0.2271 0.3117 0.3117 0.4777 0.4777 0.8811 0.8811 0.9067 0.9067 3.8641 3.8641 3.9892 3.9892 6.1536 6.1536 6.2865 6.2865 7.5535 7.5535 7.6220 7.6220 10.0110 10.0110 10.6037 10.6037 10.6900 10.6900 11.4076 11.4076 k = 0.4933 0.3002 0.2984 ( 3420 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2427 -8.2427 -8.1455 -8.1455 -1.8496 -1.8496 -1.7289 -1.7289 -0.4389 -0.4389 -0.4350 -0.4350 -0.2654 -0.2654 -0.0236 -0.0236 0.2208 0.2208 0.2279 0.2279 0.3117 0.3117 0.4775 0.4775 0.8797 0.8797 0.9089 0.9089 3.8647 3.8647 3.9898 3.9898 6.1544 6.1544 6.2821 6.2821 7.5476 7.5476 7.6193 7.6193 10.0144 10.0144 10.6099 10.6099 10.6977 10.6977 11.4054 11.4054 k = 0.4867 0.3118 0.2984 ( 3416 PWs) bands (ev): -26.4357 -26.4357 -9.3210 -9.3210 -8.2425 -8.2425 -8.1459 -8.1459 -1.8490 -1.8490 -1.7288 -1.7288 -0.4407 -0.4407 -0.4329 -0.4329 -0.2658 -0.2658 -0.0233 -0.0233 0.2196 0.2196 0.2297 0.2297 0.3118 0.3118 0.4770 0.4770 0.8765 0.8765 0.9145 0.9145 3.8664 3.8664 3.9916 3.9916 6.1565 6.1565 6.2694 6.2694 7.5297 7.5297 7.6122 7.6122 10.0245 10.0245 10.6283 10.6283 10.7206 10.7206 11.3988 11.3988 k = 0.4800 0.3233 0.2984 ( 3420 PWs) bands (ev): -26.4357 -26.4357 -9.3210 -9.3210 -8.2421 -8.2421 -8.1466 -8.1466 -1.8480 -1.8480 -1.7285 -1.7285 -0.4425 -0.4425 -0.4308 -0.4308 -0.2665 -0.2665 -0.0229 -0.0229 0.2183 0.2183 0.2318 0.2318 0.3119 0.3119 0.4760 0.4760 0.8729 0.8729 0.9220 0.9220 3.8693 3.8693 3.9946 3.9946 6.1592 6.1592 6.2493 6.2493 7.4991 7.4991 7.6019 7.6019 10.0406 10.0406 10.6588 10.6588 10.7584 10.7584 11.3885 11.3885 k = 0.4733 0.3349 0.2984 ( 3416 PWs) bands (ev): -26.4357 -26.4357 -9.3211 -9.3211 -8.2417 -8.2417 -8.1476 -8.1476 -1.8466 -1.8466 -1.7282 -1.7282 -0.4443 -0.4443 -0.4287 -0.4287 -0.2675 -0.2675 -0.0224 -0.0224 0.2173 0.2173 0.2341 0.2341 0.3121 0.3121 0.4746 0.4746 0.8696 0.8696 0.9308 0.9308 3.8733 3.8733 3.9987 3.9987 6.1598 6.1598 6.2253 6.2253 7.4565 7.4565 7.5892 7.5892 10.0618 10.0618 10.7007 10.7007 10.8107 10.8107 11.3749 11.3749 k = 0.4667 0.3464 0.2984 ( 3404 PWs) bands (ev): -26.4357 -26.4357 -9.3212 -9.3212 -8.2410 -8.2410 -8.1489 -8.1489 -1.8448 -1.8448 -1.7277 -1.7277 -0.4459 -0.4459 -0.4265 -0.4265 -0.2687 -0.2687 -0.0216 -0.0216 0.2166 0.2166 0.2364 0.2364 0.3124 0.3124 0.4729 0.4729 0.8668 0.8668 0.9405 0.9405 3.8784 3.8784 4.0038 4.0038 6.1486 6.1486 6.2076 6.2076 7.4037 7.4037 7.5740 7.5740 10.0872 10.0872 10.7532 10.7532 10.8764 10.8764 11.3590 11.3590 k = 0.4600 0.3580 0.2984 ( 3410 PWs) bands (ev): -26.4356 -26.4356 -9.3213 -9.3213 -8.2403 -8.2403 -8.1504 -8.1504 -1.8427 -1.8427 -1.7272 -1.7272 -0.4475 -0.4475 -0.4243 -0.4243 -0.2702 -0.2702 -0.0208 -0.0208 0.2164 0.2164 0.2387 0.2387 0.3127 0.3127 0.4707 0.4707 0.8646 0.8646 0.9510 0.9510 3.8845 3.8845 4.0099 4.0099 6.1163 6.1163 6.2064 6.2064 7.3426 7.3426 7.5562 7.5562 10.1161 10.1161 10.8154 10.8154 10.9546 10.9546 11.3419 11.3419 k = 0.4533 0.3695 0.2984 ( 3418 PWs) bands (ev): -26.4356 -26.4356 -9.3214 -9.3214 -8.2395 -8.2395 -8.1521 -8.1521 -1.8403 -1.8403 -1.7267 -1.7267 -0.4490 -0.4490 -0.4220 -0.4220 -0.2719 -0.2719 -0.0198 -0.0198 0.2165 0.2165 0.2409 0.2409 0.3132 0.3132 0.4680 0.4680 0.8631 0.8631 0.9620 0.9620 3.8917 3.8917 4.0169 4.0169 6.0712 6.0712 6.2144 6.2144 7.2754 7.2754 7.5355 7.5355 10.1479 10.1479 10.8855 10.8855 11.0436 11.0436 11.3249 11.3249 k = 0.4467 0.3811 0.2984 ( 3422 PWs) bands (ev): -26.4355 -26.4355 -9.3216 -9.3216 -8.2385 -8.2385 -8.1540 -8.1540 -1.8376 -1.8376 -1.7260 -1.7260 -0.4504 -0.4504 -0.4197 -0.4197 -0.2739 -0.2739 -0.0186 -0.0186 0.2171 0.2171 0.2431 0.2431 0.3137 0.3137 0.4648 0.4648 0.8623 0.8623 0.9735 0.9735 3.8997 3.8997 4.0246 4.0246 6.0195 6.0195 6.2259 6.2259 7.2040 7.2040 7.5120 7.5120 10.1823 10.1823 10.9610 10.9610 11.1420 11.1420 11.3106 11.3106 k = 0.4400 0.3926 0.2984 ( 3422 PWs) bands (ev): -26.4355 -26.4355 -9.3217 -9.3217 -8.2374 -8.2374 -8.1562 -8.1562 -1.8347 -1.8347 -1.7253 -1.7253 -0.4516 -0.4516 -0.4174 -0.4174 -0.2761 -0.2761 -0.0172 -0.0172 0.2182 0.2182 0.2453 0.2453 0.3144 0.3144 0.4612 0.4612 0.8622 0.8622 0.9854 0.9854 3.9086 3.9086 4.0329 4.0329 5.9636 5.9636 6.2393 6.2393 7.1304 7.1304 7.4857 7.4857 10.2190 10.2190 11.0362 11.0362 11.2471 11.2471 11.3050 11.3050 k = 0.4333 0.4041 0.2984 ( 3414 PWs) bands (ev): -26.4354 -26.4354 -9.3219 -9.3219 -8.2362 -8.2362 -8.1585 -8.1585 -1.8316 -1.8316 -1.7245 -1.7245 -0.4528 -0.4528 -0.4150 -0.4150 -0.2784 -0.2784 -0.0157 -0.0157 0.2197 0.2197 0.2476 0.2476 0.3152 0.3152 0.4572 0.4572 0.8628 0.8628 0.9974 0.9974 3.9183 3.9183 4.0416 4.0416 5.9053 5.9053 6.2534 6.2534 7.0565 7.0565 7.4567 7.4567 10.2578 10.2578 11.0986 11.0986 11.3131 11.3131 11.3647 11.3647 k = 0.4267 0.4157 0.2984 ( 3414 PWs) bands (ev): -26.4353 -26.4353 -9.3221 -9.3221 -8.2349 -8.2349 -8.1609 -8.1609 -1.8284 -1.8284 -1.7238 -1.7238 -0.4539 -0.4539 -0.4127 -0.4127 -0.2808 -0.2808 -0.0141 -0.0141 0.2215 0.2215 0.2499 0.2499 0.3160 0.3160 0.4527 0.4527 0.8640 0.8640 1.0096 1.0096 3.9287 3.9287 4.0506 4.0506 5.8455 5.8455 6.2675 6.2675 6.9843 6.9843 7.4253 7.4253 10.2986 10.2986 11.1301 11.1301 11.3644 11.3644 11.4809 11.4809 k = 0.4200 0.4272 0.2984 ( 3414 PWs) bands (ev): -26.4353 -26.4353 -9.3223 -9.3223 -8.2335 -8.2335 -8.1635 -8.1635 -1.8251 -1.8251 -1.7230 -1.7230 -0.4549 -0.4549 -0.4103 -0.4103 -0.2834 -0.2834 -0.0124 -0.0124 0.2235 0.2235 0.2523 0.2523 0.3170 0.3170 0.4478 0.4478 0.8659 0.8659 1.0216 1.0216 3.9396 3.9396 4.0595 4.0595 5.7854 5.7854 6.2804 6.2804 6.9157 6.9157 7.3918 7.3918 10.3412 10.3412 11.1326 11.1326 11.4488 11.4488 11.6016 11.6016 k = 0.4133 0.4388 0.2984 ( 3422 PWs) bands (ev): -26.4352 -26.4352 -9.3225 -9.3225 -8.2321 -8.2321 -8.1662 -8.1662 -1.8217 -1.8217 -1.7222 -1.7222 -0.4558 -0.4558 -0.4079 -0.4079 -0.2860 -0.2860 -0.0106 -0.0106 0.2255 0.2255 0.2550 0.2550 0.3181 0.3181 0.4426 0.4426 0.8683 0.8683 1.0334 1.0334 3.9510 3.9510 4.0682 4.0682 5.7259 5.7259 6.2906 6.2906 6.8533 6.8533 7.3564 7.3564 10.3855 10.3855 11.1212 11.1212 11.5516 11.5516 11.7243 11.7243 k = 0.4067 0.4503 0.2984 ( 3422 PWs) bands (ev): -26.4351 -26.4351 -9.3227 -9.3227 -8.2306 -8.2306 -8.1690 -8.1690 -1.8184 -1.8184 -1.7214 -1.7214 -0.4565 -0.4565 -0.4056 -0.4056 -0.2887 -0.2887 -0.0087 -0.0087 0.2276 0.2276 0.2580 0.2580 0.3193 0.3193 0.4372 0.4372 0.8713 0.8713 1.0448 1.0448 3.9627 3.9627 4.0764 4.0764 5.6678 5.6678 6.2964 6.2964 6.7997 6.7997 7.3195 7.3195 10.4310 10.4310 11.1041 11.1041 11.6639 11.6639 11.8472 11.8472 k = 0.4000 0.4619 0.2984 ( 3414 PWs) bands (ev): -26.4351 -26.4351 -9.3230 -9.3230 -8.2290 -8.2290 -8.1717 -8.1717 -1.8152 -1.8152 -1.7205 -1.7205 -0.4572 -0.4572 -0.4033 -0.4033 -0.2913 -0.2913 -0.0067 -0.0067 0.2295 0.2295 0.2613 0.2613 0.3206 0.3206 0.4316 0.4316 0.8747 0.8747 1.0556 1.0556 3.9745 3.9745 4.0838 4.0838 5.6120 5.6120 6.2955 6.2955 6.7577 6.7577 7.2813 7.2813 10.4776 10.4776 11.0845 11.0845 11.7813 11.7813 11.9689 11.9689 k = 0.3933 0.4734 0.2984 ( 3414 PWs) bands (ev): -26.4350 -26.4350 -9.3232 -9.3232 -8.2274 -8.2274 -8.1745 -8.1745 -1.8120 -1.8120 -1.7197 -1.7197 -0.4577 -0.4577 -0.4010 -0.4010 -0.2939 -0.2939 -0.0048 -0.0048 0.2311 0.2311 0.2649 0.2649 0.3220 0.3220 0.4258 0.4258 0.8786 0.8786 1.0657 1.0657 3.9863 3.9863 4.0902 4.0902 5.5591 5.5591 6.2866 6.2866 6.7296 6.7296 7.2423 7.2423 10.5248 10.5248 11.0638 11.0638 11.9016 11.9016 12.0875 12.0875 k = 0.3867 0.4850 0.2984 ( 3418 PWs) bands (ev): -26.4349 -26.4349 -9.3234 -9.3234 -8.2258 -8.2258 -8.1772 -8.1772 -1.8091 -1.8091 -1.7190 -1.7190 -0.4582 -0.4582 -0.3988 -0.3988 -0.2963 -0.2963 -0.0028 -0.0028 0.2325 0.2325 0.2688 0.2688 0.3234 0.3234 0.4201 0.4201 0.8829 0.8829 1.0750 1.0750 3.9979 3.9979 4.0953 4.0953 5.5100 5.5100 6.2694 6.2694 6.7161 6.7161 7.2026 7.2026 10.5721 10.5721 11.0425 11.0425 12.0230 12.0230 12.2014 12.2014 k = 0.3800 0.4965 0.2984 ( 3414 PWs) bands (ev): -26.4349 -26.4349 -9.3236 -9.3236 -8.2242 -8.2242 -8.1798 -8.1798 -1.8064 -1.8064 -1.7182 -1.7182 -0.4586 -0.4586 -0.3968 -0.3968 -0.2986 -0.2986 -0.0009 -0.0009 0.2336 0.2336 0.2728 0.2728 0.3250 0.3250 0.4144 0.4144 0.8874 0.8874 1.0833 1.0833 4.0092 4.0092 4.0989 4.0989 5.4653 5.4653 6.2458 6.2458 6.7159 6.7159 7.1626 7.1626 10.6190 10.6190 11.0211 11.0211 12.1438 12.1438 12.3086 12.3086 k = 0.3733 0.5081 0.2984 ( 3402 PWs) bands (ev): -26.4348 -26.4348 -9.3238 -9.3238 -8.2227 -8.2227 -8.1823 -8.1823 -1.8040 -1.8040 -1.7175 -1.7175 -0.4588 -0.4588 -0.3948 -0.3948 -0.3007 -0.3007 0.0009 0.0009 0.2344 0.2344 0.2766 0.2766 0.3266 0.3266 0.4090 0.4090 0.8921 0.8921 1.0905 1.0905 4.0201 4.0201 4.1007 4.1007 5.4255 5.4255 6.2189 6.2189 6.7264 6.7264 7.1225 7.1225 10.6647 10.6647 10.9996 10.9996 12.2624 12.2624 12.4072 12.4072 k = 0.3667 0.5196 0.2984 ( 3410 PWs) bands (ev): -26.4348 -26.4348 -9.3240 -9.3240 -8.2212 -8.2212 -8.1846 -8.1846 -1.8019 -1.8019 -1.7169 -1.7169 -0.4591 -0.4591 -0.3931 -0.3931 -0.3026 -0.3026 0.0025 0.0025 0.2350 0.2350 0.2802 0.2802 0.3283 0.3283 0.4040 0.4040 0.8967 0.8967 1.0965 1.0965 4.0305 4.0305 4.1007 4.1007 5.3911 5.3911 6.1918 6.1918 6.7448 6.7448 7.0827 7.0827 10.7085 10.7085 10.9783 10.9783 12.3768 12.3768 12.4954 12.4954 k = 0.3600 0.5312 0.2984 ( 3418 PWs) bands (ev): -26.4347 -26.4347 -9.3242 -9.3242 -8.2199 -8.2199 -8.1866 -8.1866 -1.8001 -1.8001 -1.7163 -1.7163 -0.4592 -0.4592 -0.3916 -0.3916 -0.3042 -0.3042 0.0040 0.0040 0.2354 0.2354 0.2833 0.2833 0.3299 0.3299 0.3995 0.3995 0.9012 0.9012 1.1012 1.1012 4.0403 4.0403 4.0988 4.0988 5.3626 5.3626 6.1669 6.1669 6.7689 6.7689 7.0434 7.0434 10.7496 10.7496 10.9570 10.9570 12.4849 12.4849 12.5721 12.5721 k = 0.3533 0.5427 0.2984 ( 3416 PWs) bands (ev): -26.4347 -26.4347 -9.3243 -9.3243 -8.2189 -8.2189 -8.1883 -8.1883 -1.7987 -1.7987 -1.7158 -1.7158 -0.4593 -0.4593 -0.3903 -0.3903 -0.3055 -0.3055 0.0052 0.0052 0.2357 0.2357 0.2858 0.2858 0.3315 0.3315 0.3957 0.3957 0.9052 0.9052 1.1048 1.1048 4.0496 4.0496 4.0951 4.0951 5.3402 5.3402 6.1460 6.1460 6.7971 6.7971 7.0049 7.0049 10.7872 10.7872 10.9360 10.9360 12.5837 12.5837 12.6370 12.6370 k = 0.3467 0.5543 0.2984 ( 3412 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2180 -8.2180 -8.1895 -8.1895 -1.7977 -1.7977 -1.7154 -1.7154 -0.4594 -0.4594 -0.3893 -0.3893 -0.3064 -0.3064 0.0062 0.0062 0.2359 0.2359 0.2876 0.2876 0.3328 0.3328 0.3929 0.3929 0.9085 0.9085 1.1072 1.1072 4.0583 4.0583 4.0897 4.0897 5.3242 5.3242 6.1304 6.1304 6.8280 6.8280 6.9673 6.9673 10.8204 10.8204 10.9154 10.9154 12.6691 12.6691 12.6918 12.6918 k = 0.3400 0.5658 0.2984 ( 3416 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2175 -8.2175 -8.1903 -8.1903 -1.7971 -1.7971 -1.7152 -1.7152 -0.4594 -0.4594 -0.3887 -0.3887 -0.3070 -0.3070 0.0068 0.0068 0.2359 0.2359 0.2887 0.2887 0.3337 0.3337 0.3912 0.3912 0.9108 0.9108 1.1085 1.1085 4.0666 4.0666 4.0830 4.0830 5.3146 5.3146 6.1208 6.1208 6.8606 6.8606 6.9310 6.9310 10.8481 10.8481 10.8955 10.8955 12.7296 12.7296 12.7439 12.7439 k = 0.3333 0.5774 0.2984 ( 3420 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2174 -8.2174 -8.1905 -8.1905 -1.7969 -1.7969 -1.7151 -1.7151 -0.4594 -0.4594 -0.3886 -0.3886 -0.3072 -0.3072 0.0070 0.0070 0.2360 0.2360 0.2890 0.2890 0.3340 0.3340 0.3906 0.3906 0.9116 0.9116 1.1089 1.1089 4.0734 4.0734 4.0766 4.0766 5.3115 5.3115 6.1175 6.1175 6.8891 6.8891 6.9014 6.9014 10.8640 10.8640 10.8823 10.8823 12.7623 12.7623 12.7740 12.7740 k = 0.3333 0.5774 0.2984 ( 3420 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2174 -8.2174 -8.1905 -8.1905 -1.7969 -1.7969 -1.7151 -1.7151 -0.4594 -0.4594 -0.3886 -0.3886 -0.3072 -0.3072 0.0070 0.0070 0.2360 0.2360 0.2890 0.2890 0.3340 0.3340 0.3906 0.3906 0.9116 0.9116 1.1089 1.1089 4.0734 4.0734 4.0766 4.0766 5.3115 5.3115 6.1175 6.1175 6.8891 6.8891 6.9014 6.9014 10.8640 10.8640 10.8823 10.8823 12.7623 12.7623 12.7740 12.7740 k = 0.3265 0.5656 0.2984 ( 3424 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2175 -8.2175 -8.1903 -8.1903 -1.7971 -1.7971 -1.7152 -1.7152 -0.4594 -0.4594 -0.3888 -0.3888 -0.3070 -0.3070 0.0068 0.0068 0.2359 0.2359 0.2887 0.2887 0.3336 0.3336 0.3911 0.3911 0.9106 0.9106 1.1085 1.1085 4.0663 4.0663 4.0835 4.0835 5.3147 5.3147 6.1209 6.1209 6.8603 6.8603 6.9313 6.9313 10.8504 10.8504 10.8931 10.8931 12.7223 12.7223 12.7637 12.7637 k = 0.3197 0.5538 0.2984 ( 3416 PWs) bands (ev): -26.4346 -26.4346 -9.3244 -9.3244 -8.2179 -8.2179 -8.1896 -8.1896 -1.7977 -1.7977 -1.7155 -1.7155 -0.4594 -0.4594 -0.3894 -0.3894 -0.3065 -0.3065 0.0060 0.0060 0.2359 0.2359 0.2878 0.2878 0.3328 0.3328 0.3927 0.3927 0.9073 0.9073 1.1076 1.1076 4.0580 4.0580 4.0922 4.0922 5.3243 5.3243 6.1310 6.1310 6.8278 6.8278 6.9667 6.9667 10.8310 10.8310 10.9041 10.9041 12.6695 12.6695 12.7335 12.7335 k = 0.3129 0.5420 0.2984 ( 3418 PWs) bands (ev): -26.4347 -26.4347 -9.3243 -9.3243 -8.2185 -8.2185 -8.1885 -8.1885 -1.7987 -1.7987 -1.7161 -1.7161 -0.4594 -0.4594 -0.3905 -0.3905 -0.3056 -0.3056 0.0046 0.0046 0.2359 0.2359 0.2863 0.2863 0.3317 0.3317 0.3949 0.3949 0.9014 0.9014 1.1063 1.1063 4.0504 4.0504 4.1016 4.1016 5.3398 5.3398 6.1476 6.1476 6.7970 6.7970 7.0020 7.0020 10.8114 10.8114 10.9101 10.9101 12.6130 12.6130 12.7007 12.7007 k = 0.3061 0.5302 0.2984 ( 3418 PWs) bands (ev): -26.4347 -26.4347 -9.3241 -9.3241 -8.2192 -8.2192 -8.1871 -8.1871 -1.8001 -1.8001 -1.7171 -1.7171 -0.4595 -0.4595 -0.3920 -0.3920 -0.3045 -0.3045 0.0025 0.0025 0.2360 0.2360 0.2843 0.2843 0.3303 0.3303 0.3976 0.3976 0.8926 0.8926 1.1047 1.1047 4.0444 4.0444 4.1120 4.1120 5.3611 5.3611 6.1704 6.1704 6.7681 6.7681 7.0368 7.0368 10.7922 10.7922 10.9113 10.9113 12.5537 12.5537 12.6692 12.6692 k = 0.2993 0.5184 0.2984 ( 3418 PWs) bands (ev): -26.4348 -26.4348 -9.3238 -9.3238 -8.2199 -8.2199 -8.1855 -8.1855 -1.8019 -1.8019 -1.7183 -1.7183 -0.4595 -0.4595 -0.3939 -0.3939 -0.3032 -0.3032 -0.0002 -0.0002 0.2361 0.2361 0.2820 0.2820 0.3289 0.3289 0.4005 0.4005 0.8809 0.8809 1.1026 1.1026 4.0406 4.0406 4.1235 4.1235 5.3877 5.3877 6.1989 6.1989 6.7413 6.7413 7.0705 7.0705 10.7735 10.7735 10.9082 10.9082 12.4927 12.4927 12.6400 12.6400 k = 0.2925 0.5067 0.2984 ( 3414 PWs) bands (ev): -26.4349 -26.4349 -9.3234 -9.3234 -8.2205 -8.2205 -8.1837 -8.1837 -1.8039 -1.8039 -1.7200 -1.7200 -0.4596 -0.4596 -0.3960 -0.3960 -0.3018 -0.3018 -0.0038 -0.0038 0.2362 0.2362 0.2795 0.2795 0.3276 0.3276 0.4034 0.4034 0.8664 0.8664 1.1001 1.1001 4.0398 4.0398 4.1365 4.1365 5.4192 5.4192 6.2328 6.2328 6.7167 6.7167 7.1030 7.1030 10.7555 10.7555 10.9017 10.9017 12.4309 12.4309 12.6133 12.6133 k = 0.2857 0.4949 0.2984 ( 3416 PWs) bands (ev): -26.4350 -26.4350 -9.3229 -9.3229 -8.2210 -8.2210 -8.1818 -8.1818 -1.8064 -1.8064 -1.7220 -1.7220 -0.4598 -0.4598 -0.3986 -0.3986 -0.3005 -0.3005 -0.0081 -0.0081 0.2364 0.2364 0.2768 0.2768 0.3264 0.3264 0.4063 0.4063 0.8492 0.8492 1.0968 1.0968 4.0428 4.0428 4.1510 4.1510 5.4553 5.4553 6.2715 6.2715 6.6943 6.6943 7.1337 7.1337 10.7384 10.7384 10.8927 10.8927 12.3692 12.3692 12.5888 12.5888 k = 0.2789 0.4831 0.2984 ( 3412 PWs) bands (ev): -26.4351 -26.4351 -9.3223 -9.3223 -8.2213 -8.2213 -8.1799 -8.1799 -1.8091 -1.8091 -1.7245 -1.7245 -0.4600 -0.4600 -0.4013 -0.4013 -0.2992 -0.2992 -0.0132 -0.0132 0.2365 0.2365 0.2740 0.2740 0.3255 0.3255 0.4089 0.4089 0.8299 0.8299 1.0924 1.0924 4.0501 4.0501 4.1673 4.1673 5.4956 5.4956 6.3146 6.3146 6.6744 6.6744 7.1625 7.1625 10.7224 10.7224 10.8821 10.8821 12.3086 12.3086 12.5659 12.5659 k = 0.2721 0.4713 0.2984 ( 3416 PWs) bands (ev): -26.4352 -26.4352 -9.3217 -9.3217 -8.2215 -8.2215 -8.1778 -8.1778 -1.8121 -1.8121 -1.7274 -1.7274 -0.4604 -0.4604 -0.4043 -0.4043 -0.2980 -0.2980 -0.0192 -0.0192 0.2366 0.2366 0.2713 0.2713 0.3248 0.3248 0.4111 0.4111 0.8086 0.8086 1.0868 1.0868 4.0623 4.0623 4.1852 4.1852 5.5398 5.5398 6.3616 6.3616 6.6570 6.6570 7.1891 7.1891 10.7075 10.7075 10.8708 10.8708 12.2498 12.2498 12.5432 12.5432 k = 0.2653 0.4595 0.2984 ( 3424 PWs) bands (ev): -26.4354 -26.4354 -9.3209 -9.3209 -8.2215 -8.2215 -8.1758 -8.1758 -1.8153 -1.8153 -1.7308 -1.7308 -0.4608 -0.4608 -0.4075 -0.4075 -0.2972 -0.2972 -0.0260 -0.0260 0.2364 0.2364 0.2687 0.2687 0.3244 0.3244 0.4130 0.4130 0.7858 0.7858 1.0796 1.0796 4.0798 4.0798 4.2048 4.2048 5.5877 5.5877 6.4120 6.4120 6.6421 6.6421 7.2132 7.2132 10.6942 10.6942 10.8595 10.8595 12.1935 12.1935 12.5183 12.5183 k = 0.2585 0.4477 0.2984 ( 3416 PWs) bands (ev): -26.4355 -26.4355 -9.3201 -9.3201 -8.2214 -8.2214 -8.1737 -8.1737 -1.8189 -1.8189 -1.7348 -1.7348 -0.4612 -0.4612 -0.4108 -0.4108 -0.2966 -0.2966 -0.0335 -0.0335 0.2358 0.2358 0.2666 0.2666 0.3243 0.3243 0.4144 0.4144 0.7621 0.7621 1.0707 1.0707 4.1030 4.1030 4.2261 4.2261 5.6389 5.6389 6.4651 6.4651 6.6302 6.6302 7.2346 7.2346 10.6824 10.6824 10.8487 10.8487 12.1402 12.1402 12.4880 12.4880 k = 0.2517 0.4360 0.2984 ( 3422 PWs) bands (ev): -26.4357 -26.4357 -9.3192 -9.3192 -8.2210 -8.2210 -8.1715 -8.1715 -1.8227 -1.8227 -1.7392 -1.7392 -0.4618 -0.4618 -0.4142 -0.4142 -0.2965 -0.2965 -0.0418 -0.0418 0.2346 0.2346 0.2650 0.2650 0.3244 0.3244 0.4154 0.4154 0.7378 0.7378 1.0599 1.0599 4.1323 4.1323 4.2489 4.2489 5.6933 5.6933 6.5200 6.5200 6.6217 6.6217 7.2530 7.2530 10.6725 10.6725 10.8391 10.8391 12.0906 12.0906 12.4496 12.4496 k = 0.2449 0.4242 0.2984 ( 3418 PWs) bands (ev): -26.4359 -26.4359 -9.3181 -9.3181 -8.2204 -8.2204 -8.1694 -8.1694 -1.8267 -1.8267 -1.7442 -1.7442 -0.4624 -0.4624 -0.4177 -0.4177 -0.2969 -0.2969 -0.0508 -0.0508 0.2327 0.2327 0.2641 0.2641 0.3247 0.3247 0.4158 0.4158 0.7134 0.7134 1.0473 1.0473 4.1678 4.1678 4.2731 4.2731 5.7505 5.7505 6.5728 6.5728 6.6201 6.6201 7.2685 7.2685 10.6647 10.6647 10.8311 10.8311 12.0450 12.0450 12.4026 12.4026 k = 0.2381 0.4124 0.2984 ( 3418 PWs) bands (ev): -26.4361 -26.4361 -9.3170 -9.3170 -8.2197 -8.2197 -8.1672 -8.1672 -1.8310 -1.8310 -1.7497 -1.7497 -0.4632 -0.4632 -0.4213 -0.4213 -0.2978 -0.2978 -0.0604 -0.0604 0.2300 0.2300 0.2639 0.2639 0.3250 0.3250 0.4156 0.4156 0.6894 0.6894 1.0328 1.0328 4.2095 4.2095 4.2984 4.2984 5.8105 5.8105 6.5981 6.5981 6.6506 6.6506 7.2807 7.2807 10.6592 10.6592 10.8248 10.8248 12.0040 12.0040 12.3484 12.3484 k = 0.2313 0.4006 0.2984 ( 3408 PWs) bands (ev): -26.4364 -26.4364 -9.3158 -9.3158 -8.2188 -8.2188 -8.1650 -8.1650 -1.8356 -1.8356 -1.7558 -1.7558 -0.4640 -0.4640 -0.4249 -0.4249 -0.2994 -0.2994 -0.0705 -0.0705 0.2267 0.2267 0.2644 0.2644 0.3253 0.3253 0.4149 0.4149 0.6663 0.6663 1.0165 1.0165 4.2574 4.2574 4.3249 4.3249 5.8730 5.8730 6.6009 6.6009 6.7078 6.7078 7.2898 7.2898 10.6562 10.6562 10.8205 10.8205 11.9678 11.9678 12.2891 12.2891 k = 0.2245 0.3888 0.2984 ( 3404 PWs) bands (ev): -26.4366 -26.4366 -9.3144 -9.3144 -8.2177 -8.2177 -8.1627 -8.1627 -1.8404 -1.8404 -1.7625 -1.7625 -0.4650 -0.4650 -0.4285 -0.4285 -0.3017 -0.3017 -0.0812 -0.0812 0.2228 0.2228 0.2654 0.2654 0.3253 0.3253 0.4137 0.4137 0.6443 0.6443 0.9985 0.9985 4.3111 4.3111 4.3526 4.3526 5.9378 5.9378 6.6032 6.6032 6.7692 6.7692 7.2956 7.2956 10.6559 10.6559 10.8182 10.8182 11.9366 11.9366 12.2263 12.2263 k = 0.2177 0.3770 0.2984 ( 3412 PWs) bands (ev): -26.4369 -26.4369 -9.3131 -9.3131 -8.2165 -8.2165 -8.1604 -8.1604 -1.8454 -1.8454 -1.7696 -1.7696 -0.4662 -0.4662 -0.4320 -0.4320 -0.3048 -0.3048 -0.0922 -0.0922 0.2186 0.2186 0.2666 0.2666 0.3247 0.3247 0.4121 0.4121 0.6240 0.6240 0.9789 0.9789 4.3670 4.3670 4.3847 4.3847 6.0049 6.0049 6.6077 6.6077 6.8318 6.8318 7.2983 7.2983 10.6586 10.6586 10.8181 10.8181 11.9106 11.9106 12.1611 12.1611 k = 0.2109 0.3653 0.2984 ( 3418 PWs) bands (ev): -26.4372 -26.4372 -9.3116 -9.3116 -8.2152 -8.2152 -8.1581 -8.1581 -1.8507 -1.8507 -1.7774 -1.7774 -0.4675 -0.4675 -0.4355 -0.4355 -0.3087 -0.3087 -0.1035 -0.1035 0.2141 0.2141 0.2681 0.2681 0.3234 0.3234 0.4105 0.4105 0.6056 0.6056 0.9579 0.9579 4.4037 4.4037 4.4424 4.4424 6.0740 6.0740 6.6148 6.6148 6.8949 6.8949 7.2978 7.2978 10.6643 10.6643 10.8200 10.8200 11.8895 11.8895 12.0941 12.0941 k = 0.2041 0.3535 0.2984 ( 3414 PWs) bands (ev): -26.4374 -26.4374 -9.3100 -9.3100 -8.2137 -8.2137 -8.1556 -8.1556 -1.8563 -1.8563 -1.7856 -1.7856 -0.4689 -0.4689 -0.4389 -0.4389 -0.3136 -0.3136 -0.1149 -0.1149 0.2094 0.2094 0.2695 0.2695 0.3209 0.3209 0.4091 0.4091 0.5893 0.5893 0.9358 0.9358 4.4324 4.4324 4.5138 4.5138 6.1450 6.1450 6.6248 6.6248 6.9578 6.9578 7.2943 7.2943 10.6733 10.6733 10.8239 10.8239 11.8729 11.8729 12.0259 12.0259 k = 0.1973 0.3417 0.2984 ( 3422 PWs) bands (ev): -26.4377 -26.4377 -9.3084 -9.3084 -8.2122 -8.2122 -8.1531 -8.1531 -1.8621 -1.8621 -1.7944 -1.7944 -0.4705 -0.4705 -0.4421 -0.4421 -0.3193 -0.3193 -0.1264 -0.1264 0.2046 0.2046 0.2708 0.2708 0.3172 0.3172 0.4083 0.4083 0.5751 0.5751 0.9127 0.9127 4.4601 4.4601 4.5917 4.5917 6.2178 6.2178 6.6378 6.6378 7.0202 7.0202 7.2880 7.2880 10.6857 10.6857 10.8296 10.8296 11.8597 11.8597 11.9568 11.9568 k = 0.1905 0.3299 0.2984 ( 3422 PWs) bands (ev): -26.4381 -26.4381 -9.3068 -9.3068 -8.2106 -8.2106 -8.1506 -8.1506 -1.8681 -1.8681 -1.8036 -1.8036 -0.4723 -0.4723 -0.4452 -0.4452 -0.3261 -0.3261 -0.1377 -0.1377 0.1998 0.1998 0.2718 0.2718 0.3122 0.3122 0.4084 0.4084 0.5629 0.5629 0.8889 0.8889 4.4871 4.4871 4.6751 4.6751 6.2922 6.2922 6.6537 6.6537 7.0815 7.0815 7.2791 7.2791 10.7016 10.7016 10.8369 10.8369 11.8477 11.8477 11.8873 11.8873 k = 0.1837 0.3181 0.2984 ( 3422 PWs) bands (ev): -26.4384 -26.4384 -9.3051 -9.3051 -8.2090 -8.2090 -8.1479 -8.1479 -1.8744 -1.8744 -1.8133 -1.8133 -0.4743 -0.4743 -0.4480 -0.4480 -0.3338 -0.3338 -0.1489 -0.1489 0.1950 0.1950 0.2721 0.2721 0.3065 0.3065 0.4095 0.4095 0.5527 0.5527 0.8647 0.8647 4.5133 4.5133 4.7637 4.7637 6.3681 6.3681 6.6727 6.6727 7.1415 7.1415 7.2677 7.2677 10.7211 10.7211 10.8455 10.8455 11.8142 11.8142 11.8367 11.8367 k = 0.1769 0.3063 0.2984 ( 3414 PWs) bands (ev): -26.4387 -26.4387 -9.3033 -9.3033 -8.2074 -8.2074 -8.1451 -8.1451 -1.8809 -1.8809 -1.8234 -1.8234 -0.4765 -0.4765 -0.4506 -0.4506 -0.3423 -0.3423 -0.1597 -0.1597 0.1902 0.1902 0.2712 0.2712 0.3008 0.3008 0.4116 0.4116 0.5440 0.5440 0.8402 0.8402 4.5385 4.5385 4.8573 4.8573 6.4451 6.4451 6.6949 6.6949 7.1996 7.1996 7.2544 7.2544 10.7443 10.7443 10.8549 10.8549 11.7443 11.7443 11.8156 11.8156 k = 0.1701 0.2946 0.2984 ( 3418 PWs) bands (ev): -26.4390 -26.4390 -9.3015 -9.3015 -8.2057 -8.2057 -8.1422 -8.1422 -1.8877 -1.8877 -1.8339 -1.8339 -0.4790 -0.4790 -0.4529 -0.4529 -0.3518 -0.3518 -0.1703 -0.1703 0.1854 0.1854 0.2683 0.2683 0.2961 0.2961 0.4146 0.4146 0.5367 0.5367 0.8156 0.8156 4.5626 4.5626 4.9554 4.9554 6.5230 6.5230 6.7204 6.7204 7.2375 7.2375 7.2573 7.2573 10.7711 10.7711 10.8644 10.8644 11.6732 11.6732 11.7862 11.7862 k = 0.1633 0.2828 0.2984 ( 3422 PWs) bands (ev): -26.4394 -26.4394 -9.2998 -9.2998 -8.2042 -8.2042 -8.1391 -8.1391 -1.8947 -1.8947 -1.8447 -1.8447 -0.4817 -0.4817 -0.4550 -0.4550 -0.3619 -0.3619 -0.1804 -0.1804 0.1806 0.1806 0.2631 0.2631 0.2933 0.2933 0.4184 0.4184 0.5304 0.5304 0.7912 0.7912 4.5855 4.5855 5.0579 5.0579 6.6014 6.6014 6.7494 6.7494 7.2213 7.2213 7.3102 7.3102 10.8016 10.8016 10.8730 10.8730 11.6018 11.6018 11.7502 11.7502 k = 0.1565 0.2710 0.2984 ( 3414 PWs) bands (ev): -26.4397 -26.4397 -9.2980 -9.2980 -8.2026 -8.2026 -8.1360 -8.1360 -1.9019 -1.9019 -1.8558 -1.8558 -0.4845 -0.4845 -0.4568 -0.4568 -0.3726 -0.3726 -0.1901 -0.1901 0.1760 0.1760 0.2563 0.2563 0.2920 0.2920 0.4228 0.4228 0.5249 0.5249 0.7672 0.7672 4.6070 4.6070 5.1643 5.1643 6.6794 6.6794 6.7827 6.7827 7.2031 7.2031 7.3612 7.3612 10.8357 10.8357 10.8793 10.8793 11.5304 11.5304 11.7132 11.7132 k = 0.1497 0.2592 0.2984 ( 3418 PWs) bands (ev): -26.4401 -26.4401 -9.2962 -9.2962 -8.2012 -8.2012 -8.1327 -8.1327 -1.9094 -1.9094 -1.8670 -1.8670 -0.4876 -0.4876 -0.4585 -0.4585 -0.3837 -0.3837 -0.1994 -0.1994 0.1714 0.1714 0.2486 0.2486 0.2915 0.2915 0.4276 0.4276 0.5200 0.5200 0.7438 0.7438 4.6270 4.6270 5.2745 5.2745 6.7542 6.7542 6.8225 6.8225 7.1839 7.1839 7.4094 7.4094 10.8729 10.8729 10.8816 10.8816 11.4593 11.4593 11.6809 11.6809 k = 0.1429 0.2474 0.2984 ( 3414 PWs) bands (ev): -26.4404 -26.4404 -9.2944 -9.2944 -8.1998 -8.1998 -8.1293 -8.1293 -1.9171 -1.9171 -1.8784 -1.8784 -0.4907 -0.4907 -0.4600 -0.4600 -0.3949 -0.3949 -0.2083 -0.2083 0.1670 0.1670 0.2409 0.2409 0.2912 0.2912 0.4328 0.4328 0.5155 0.5155 0.7212 0.7212 4.6455 4.6455 5.3880 5.3880 6.8189 6.8189 6.8757 6.8757 7.1640 7.1640 7.4545 7.4545 10.8772 10.8772 10.9136 10.9136 11.3887 11.3887 11.6576 11.6576 k = 0.1361 0.2357 0.2984 ( 3406 PWs) bands (ev): -26.4407 -26.4407 -9.2926 -9.2926 -8.1985 -8.1985 -8.1257 -8.1257 -1.9250 -1.9250 -1.8898 -1.8898 -0.4939 -0.4939 -0.4615 -0.4615 -0.4061 -0.4061 -0.2169 -0.2169 0.1628 0.1628 0.2335 0.2335 0.2909 0.2909 0.4382 0.4382 0.5113 0.5113 0.6995 0.6995 4.6624 4.6624 5.5045 5.5045 6.8700 6.8700 6.9451 6.9451 7.1438 7.1438 7.4964 7.4964 10.8646 10.8646 10.9564 10.9564 11.3194 11.3194 11.6467 11.6467 k = 0.1293 0.2239 0.2984 ( 3414 PWs) bands (ev): -26.4411 -26.4411 -9.2909 -9.2909 -8.1973 -8.1973 -8.1221 -8.1221 -1.9331 -1.9331 -1.9012 -1.9012 -0.4972 -0.4972 -0.4632 -0.4632 -0.4168 -0.4168 -0.2251 -0.2251 0.1587 0.1587 0.2266 0.2266 0.2903 0.2903 0.4437 0.4437 0.5072 0.5072 0.6790 0.6790 4.6777 4.6777 5.6236 5.6236 6.9161 6.9161 7.0218 7.0218 7.1240 7.1240 7.5350 7.5350 10.8420 10.8420 10.9999 10.9999 11.2529 11.2529 11.6503 11.6503 k = 0.1224 0.2121 0.2984 ( 3428 PWs) bands (ev): -26.4414 -26.4414 -9.2892 -9.2892 -8.1962 -8.1962 -8.1185 -8.1185 -1.9415 -1.9415 -1.9123 -1.9123 -0.5005 -0.5005 -0.4656 -0.4656 -0.4266 -0.4266 -0.2330 -0.2330 0.1549 0.1549 0.2202 0.2202 0.2894 0.2894 0.4493 0.4493 0.5032 0.5032 0.6598 0.6598 4.6914 4.6914 5.7448 5.7448 6.9622 6.9622 7.0953 7.0953 7.1097 7.1097 7.5702 7.5702 10.8090 10.8090 11.0382 11.0382 11.1949 11.1949 11.6688 11.6688 k = 0.1156 0.2003 0.2984 ( 3432 PWs) bands (ev): -26.4417 -26.4417 -9.2875 -9.2875 -8.1953 -8.1953 -8.1148 -8.1148 -1.9500 -1.9500 -1.9231 -1.9231 -0.5038 -0.5038 -0.4689 -0.4689 -0.4347 -0.4347 -0.2406 -0.2406 0.1514 0.1514 0.2144 0.2144 0.2880 0.2880 0.4548 0.4548 0.4992 0.4992 0.6421 0.6421 4.7036 4.7036 5.8676 5.8676 7.0095 7.0095 7.0848 7.0848 7.1804 7.1804 7.6022 7.6022 10.7658 10.7658 11.0471 11.0471 11.1697 11.1697 11.7016 11.7016 k = 0.1088 0.1885 0.2984 ( 3428 PWs) bands (ev): -26.4421 -26.4421 -9.2859 -9.2859 -8.1944 -8.1944 -8.1110 -8.1110 -1.9588 -1.9588 -1.9336 -1.9336 -0.5070 -0.5070 -0.4739 -0.4739 -0.4407 -0.4407 -0.2480 -0.2480 0.1482 0.1482 0.2092 0.2092 0.2861 0.2861 0.4602 0.4602 0.4952 0.4952 0.6259 0.6259 4.7143 4.7143 5.9911 5.9911 7.0584 7.0584 7.0684 7.0684 7.2580 7.2580 7.6309 7.6309 10.7134 10.7134 11.0063 11.0063 11.1971 11.1971 11.7471 11.7471 k = 0.1020 0.1767 0.2984 ( 3426 PWs) bands (ev): -26.4424 -26.4424 -9.2844 -9.2844 -8.1936 -8.1936 -8.1073 -8.1073 -1.9677 -1.9677 -1.9435 -1.9435 -0.5101 -0.5101 -0.4805 -0.4805 -0.4444 -0.4444 -0.2550 -0.2550 0.1454 0.1454 0.2046 0.2046 0.2836 0.2836 0.4652 0.4652 0.4913 0.4913 0.6115 0.6115 4.7236 4.7236 6.1144 6.1144 7.0543 7.0543 7.1091 7.1091 7.3342 7.3342 7.6566 7.6566 10.6530 10.6530 10.9474 10.9474 11.2454 11.2454 11.8031 11.8031 k = 0.0952 0.1650 0.2984 ( 3430 PWs) bands (ev): -26.4427 -26.4427 -9.2829 -9.2829 -8.1929 -8.1929 -8.1037 -8.1037 -1.9768 -1.9768 -1.9528 -1.9528 -0.5132 -0.5132 -0.4881 -0.4881 -0.4462 -0.4462 -0.2619 -0.2619 0.1430 0.1430 0.2004 0.2004 0.2806 0.2806 0.4695 0.4695 0.4879 0.4879 0.5987 0.5987 4.7316 4.7316 6.2358 6.2358 7.0443 7.0443 7.1611 7.1611 7.4080 7.4080 7.6794 7.6794 10.5854 10.5854 10.8852 10.8852 11.2991 11.2991 11.8672 11.8672 k = 0.0884 0.1532 0.2984 ( 3430 PWs) bands (ev): -26.4430 -26.4430 -9.2815 -9.2815 -8.1923 -8.1923 -8.1001 -8.1001 -1.9860 -1.9860 -1.9614 -1.9614 -0.5162 -0.5162 -0.4961 -0.4961 -0.4469 -0.4469 -0.2684 -0.2684 0.1411 0.1411 0.1967 0.1967 0.2770 0.2770 0.4719 0.4719 0.4861 0.4861 0.5876 0.5876 4.7385 4.7385 6.3531 6.3531 7.0404 7.0404 7.2143 7.2143 7.4790 7.4790 7.6994 7.6994 10.5114 10.5114 10.8235 10.8235 11.3540 11.3540 11.9353 11.9353 k = 0.0816 0.1414 0.2984 ( 3426 PWs) bands (ev): -26.4432 -26.4432 -9.2802 -9.2802 -8.1917 -8.1917 -8.0966 -8.0966 -1.9951 -1.9951 -1.9695 -1.9695 -0.5190 -0.5190 -0.5040 -0.5040 -0.4468 -0.4468 -0.2747 -0.2747 0.1396 0.1396 0.1934 0.1934 0.2728 0.2728 0.4713 0.4713 0.4872 0.4872 0.5782 0.5782 4.7442 4.7442 6.4624 6.4624 7.0462 7.0462 7.2683 7.2683 7.5465 7.5465 7.7171 7.7171 10.4315 10.4315 10.7636 10.7636 11.4080 11.4080 11.9992 11.9992 k = 0.0748 0.1296 0.2984 ( 3422 PWs) bands (ev): -26.4435 -26.4435 -9.2790 -9.2790 -8.1913 -8.1913 -8.0932 -8.0932 -2.0039 -2.0039 -1.9769 -1.9769 -0.5219 -0.5219 -0.5114 -0.5114 -0.4463 -0.4463 -0.2807 -0.2807 0.1386 0.1386 0.1904 0.1904 0.2681 0.2681 0.4685 0.4685 0.4903 0.4903 0.5702 0.5702 4.7489 4.7489 6.5579 6.5579 7.0670 7.0670 7.3228 7.3228 7.6096 7.6096 7.7326 7.7326 10.3463 10.3463 10.7063 10.7063 11.4592 11.4592 12.0348 12.0348 k = 0.0680 0.1178 0.2984 ( 3426 PWs) bands (ev): -26.4437 -26.4437 -9.2779 -9.2779 -8.1909 -8.1909 -8.0901 -8.0901 -2.0124 -2.0124 -1.9837 -1.9837 -0.5250 -0.5250 -0.5179 -0.5179 -0.4454 -0.4454 -0.2864 -0.2864 0.1381 0.1381 0.1876 0.1876 0.2630 0.2630 0.4650 0.4650 0.4939 0.4939 0.5635 0.5635 4.7528 4.7528 6.6330 6.6330 7.1089 7.1089 7.3774 7.3774 7.6675 7.6675 7.7464 7.7464 10.2562 10.2562 10.6522 10.6522 11.5057 11.5057 12.0107 12.0107 k = 0.0612 0.1060 0.2984 ( 3422 PWs) bands (ev): -26.4439 -26.4439 -9.2769 -9.2769 -8.1905 -8.1905 -8.0871 -8.0871 -2.0204 -2.0204 -1.9899 -1.9899 -0.5289 -0.5289 -0.5228 -0.5228 -0.4443 -0.4443 -0.2917 -0.2917 0.1380 0.1380 0.1851 0.1851 0.2576 0.2576 0.4616 0.4616 0.4976 0.4976 0.5580 0.5580 4.7559 4.7559 6.6840 6.6840 7.1748 7.1748 7.4316 7.4316 7.7186 7.7186 7.7597 7.7597 10.1621 10.1621 10.6019 10.6019 11.5456 11.5456 11.9512 11.9512 k = 0.0544 0.0943 0.2984 ( 3416 PWs) bands (ev): -26.4441 -26.4441 -9.2759 -9.2759 -8.1902 -8.1902 -8.0843 -8.0843 -2.0278 -2.0278 -1.9956 -1.9956 -0.5335 -0.5335 -0.5261 -0.5261 -0.4430 -0.4430 -0.2967 -0.2967 0.1384 0.1384 0.1828 0.1828 0.2521 0.2521 0.4584 0.4584 0.5010 0.5010 0.5535 0.5535 4.7584 4.7584 6.7137 6.7137 7.2607 7.2607 7.4849 7.4849 7.7559 7.7559 7.7792 7.7792 10.0649 10.0649 10.5560 10.5560 11.5773 11.5773 11.8860 11.8860 k = 0.0476 0.0825 0.2984 ( 3424 PWs) bands (ev): -26.4443 -26.4443 -9.2751 -9.2751 -8.1900 -8.1900 -8.0819 -8.0819 -2.0346 -2.0346 -2.0006 -2.0006 -0.5383 -0.5383 -0.5284 -0.5284 -0.4417 -0.4417 -0.3013 -0.3013 0.1392 0.1392 0.1805 0.1805 0.2467 0.2467 0.4555 0.4555 0.5041 0.5041 0.5499 0.5499 4.7603 4.7603 6.7289 6.7289 7.3584 7.3584 7.5366 7.5366 7.7717 7.7717 7.8127 7.8127 9.9662 9.9662 10.5148 10.5148 11.5999 11.5999 11.8248 11.8248 k = 0.0408 0.0707 0.2984 ( 3428 PWs) bands (ev): -26.4445 -26.4445 -9.2744 -9.2744 -8.1898 -8.1898 -8.0796 -8.0796 -2.0406 -2.0406 -2.0050 -2.0050 -0.5427 -0.5427 -0.5303 -0.5303 -0.4404 -0.4404 -0.3054 -0.3054 0.1403 0.1403 0.1784 0.1784 0.2414 0.2414 0.4530 0.4530 0.5068 0.5068 0.5470 0.5470 4.7618 4.7618 6.7357 6.7357 7.4596 7.4596 7.5859 7.5859 7.7820 7.7820 7.8444 7.8444 9.8680 9.8680 10.4788 10.4788 11.6132 11.6132 11.7712 11.7712 k = 0.0340 0.0589 0.2984 ( 3436 PWs) bands (ev): -26.4446 -26.4446 -9.2738 -9.2738 -8.1896 -8.1896 -8.0777 -8.0777 -2.0457 -2.0457 -2.0088 -2.0088 -0.5464 -0.5464 -0.5317 -0.5317 -0.4391 -0.4391 -0.3090 -0.3090 0.1417 0.1417 0.1764 0.1764 0.2366 0.2366 0.4510 0.4510 0.5090 0.5090 0.5447 0.5447 4.7629 4.7629 6.7378 6.7378 7.5568 7.5568 7.6322 7.6322 7.7923 7.7923 7.8699 7.8699 9.7728 9.7728 10.4482 10.4482 11.6180 11.6180 11.7267 11.7267 k = 0.0272 0.0471 0.2984 ( 3436 PWs) bands (ev): -26.4447 -26.4447 -9.2733 -9.2733 -8.1895 -8.1895 -8.0762 -8.0762 -2.0500 -2.0500 -2.0120 -2.0120 -0.5495 -0.5495 -0.5329 -0.5329 -0.4380 -0.4380 -0.3121 -0.3121 0.1433 0.1433 0.1744 0.1744 0.2324 0.2324 0.4494 0.4494 0.5109 0.5109 0.5430 0.5430 4.7636 4.7636 6.7376 6.7376 7.6414 7.6414 7.6747 7.6747 7.8059 7.8059 7.8889 7.8889 9.6843 9.6843 10.4231 10.4231 11.6154 11.6154 11.6925 11.6925 k = 0.0204 0.0353 0.2984 ( 3436 PWs) bands (ev): -26.4448 -26.4448 -9.2729 -9.2729 -8.1894 -8.1894 -8.0749 -8.0749 -2.0534 -2.0534 -2.0144 -2.0144 -0.5519 -0.5519 -0.5339 -0.5339 -0.4370 -0.4370 -0.3145 -0.3145 0.1450 0.1450 0.1726 0.1726 0.2289 0.2289 0.4482 0.4482 0.5123 0.5123 0.5418 0.5418 4.7642 4.7642 6.7365 6.7365 7.7005 7.7005 7.7141 7.7141 7.8277 7.8277 7.9028 7.9028 9.6068 9.6068 10.4037 10.4037 11.6075 11.6075 11.6690 11.6690 k = 0.0136 0.0236 0.2984 ( 3440 PWs) bands (ev): -26.4449 -26.4449 -9.2726 -9.2726 -8.1894 -8.1894 -8.0740 -8.0740 -2.0559 -2.0559 -2.0162 -2.0162 -0.5537 -0.5537 -0.5345 -0.5345 -0.4363 -0.4363 -0.3163 -0.3163 0.1465 0.1465 0.1710 0.1710 0.2264 0.2264 0.4473 0.4473 0.5132 0.5132 0.5410 0.5410 4.7646 4.7646 6.7353 6.7353 7.7311 7.7311 7.7456 7.7456 7.8557 7.8557 7.9150 7.9150 9.5455 9.5455 10.3898 10.3898 11.5975 11.5975 11.6549 11.6549 k = 0.0068 0.0118 0.2984 ( 3438 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0735 -8.0735 -2.0573 -2.0573 -2.0172 -2.0172 -0.5547 -0.5547 -0.5349 -0.5349 -0.4358 -0.4358 -0.3174 -0.3174 0.1476 0.1476 0.1699 0.1699 0.2248 0.2248 0.4468 0.4468 0.5138 0.5138 0.5405 0.5405 4.7648 4.7648 6.7344 6.7344 7.7460 7.7460 7.7635 7.7635 7.8742 7.8742 7.9283 7.9283 9.5058 9.5058 10.3816 10.3816 11.5899 11.5899 11.6475 11.6475 k = 0.0000 0.0000 0.2984 ( 3424 PWs) bands (ev): -26.4449 -26.4449 -9.2724 -9.2724 -8.1893 -8.1893 -8.0733 -8.0733 -2.0578 -2.0578 -2.0176 -2.0176 -0.5550 -0.5550 -0.5350 -0.5350 -0.4356 -0.4356 -0.3177 -0.3177 0.1480 0.1480 0.1695 0.1695 0.2243 0.2243 0.4466 0.4466 0.5140 0.5140 0.5404 0.5404 4.7648 4.7648 6.7341 6.7341 7.7502 7.7502 7.7697 7.7697 7.8792 7.8792 7.9351 7.9351 9.4920 9.4920 10.3788 10.3788 11.5870 11.5870 11.6452 11.6452 k = 0.5000 0.2887 0.2984 ( 3416 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2427 -8.2427 -8.1454 -8.1454 -1.8498 -1.8498 -1.7290 -1.7290 -0.4370 -0.4370 -0.4370 -0.4370 -0.2653 -0.2653 -0.0236 -0.0236 0.2214 0.2214 0.2271 0.2271 0.3117 0.3117 0.4777 0.4777 0.8811 0.8811 0.9067 0.9067 3.8641 3.8641 3.9892 3.9892 6.1536 6.1536 6.2865 6.2865 7.5535 7.5535 7.6220 7.6220 10.0110 10.0110 10.6037 10.6037 10.6900 10.6900 11.4076 11.4076 k = 0.5000 0.2887 0.2848 ( 3410 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2427 -8.2427 -8.1454 -8.1454 -1.8498 -1.8498 -1.7290 -1.7290 -0.4375 -0.4375 -0.4364 -0.4364 -0.2651 -0.2651 -0.0237 -0.0237 0.2214 0.2214 0.2272 0.2272 0.3118 0.3118 0.4777 0.4777 0.8809 0.8809 0.9068 0.9068 3.8589 3.8589 3.9960 3.9960 6.1529 6.1529 6.2873 6.2873 7.5510 7.5510 7.6167 7.6167 10.0100 10.0100 10.6135 10.6135 10.6878 10.6878 11.4142 11.4142 k = 0.5000 0.2887 0.2713 ( 3414 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2428 -8.2428 -8.1454 -8.1454 -1.8497 -1.8497 -1.7292 -1.7292 -0.4380 -0.4380 -0.4359 -0.4359 -0.2648 -0.2648 -0.0239 -0.0239 0.2211 0.2211 0.2275 0.2275 0.3120 0.3120 0.4776 0.4776 0.8805 0.8805 0.9069 0.9069 3.8458 3.8458 4.0137 4.0137 6.1506 6.1506 6.2899 6.2899 7.5430 7.5430 7.6018 7.6018 10.0071 10.0071 10.6414 10.6414 10.6829 10.6829 11.4333 11.4333 k = 0.5000 0.2887 0.2577 ( 3422 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2428 -8.2428 -8.1454 -8.1454 -1.8494 -1.8494 -1.7295 -1.7295 -0.4386 -0.4386 -0.4355 -0.4355 -0.2642 -0.2642 -0.0242 -0.0242 0.2207 0.2207 0.2278 0.2278 0.3124 0.3124 0.4774 0.4774 0.8798 0.8798 0.9072 0.9072 3.8289 3.8289 4.0383 4.0383 6.1468 6.1468 6.2943 6.2943 7.5269 7.5269 7.5807 7.5807 10.0027 10.0027 10.6630 10.6630 10.7002 10.7002 11.4631 11.4631 k = 0.5000 0.2887 0.2441 ( 3410 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2428 -8.2428 -8.1454 -8.1454 -1.8491 -1.8491 -1.7299 -1.7299 -0.4392 -0.4392 -0.4350 -0.4350 -0.2633 -0.2633 -0.0245 -0.0245 0.2202 0.2202 0.2283 0.2283 0.3131 0.3131 0.4771 0.4771 0.8789 0.8789 0.9075 0.9075 3.8106 3.8106 4.0672 4.0672 6.1417 6.1417 6.3004 6.3004 7.4980 7.4980 7.5593 7.5593 9.9970 9.9970 10.6567 10.6567 10.7618 10.7618 11.5014 11.5014 k = 0.5000 0.2887 0.2306 ( 3414 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2428 -8.2428 -8.1454 -8.1454 -1.8487 -1.8487 -1.7304 -1.7304 -0.4399 -0.4399 -0.4345 -0.4345 -0.2623 -0.2623 -0.0250 -0.0250 0.2196 0.2196 0.2288 0.2288 0.3138 0.3138 0.4768 0.4768 0.8777 0.8777 0.9079 0.9079 3.7924 3.7924 4.0989 4.0989 6.1352 6.1352 6.3082 6.3082 7.4550 7.4550 7.5402 7.5402 9.9900 9.9900 10.6496 10.6496 10.8408 10.8408 11.5456 11.5456 k = 0.5000 0.2887 0.2170 ( 3418 PWs) bands (ev): -26.4358 -26.4358 -9.3209 -9.3209 -8.2428 -8.2428 -8.1453 -8.1453 -1.8482 -1.8482 -1.7310 -1.7310 -0.4405 -0.4405 -0.4341 -0.4341 -0.2611 -0.2611 -0.0256 -0.0256 0.2190 0.2190 0.2293 0.2293 0.3146 0.3146 0.4764 0.4764 0.8764 0.8764 0.9083 0.9083 3.7748 3.7748 4.1328 4.1328 6.1275 6.1275 6.3177 6.3177 7.4014 7.4014 7.5218 7.5218 9.9815 9.9815 10.6465 10.6465 10.9326 10.9326 11.5934 11.5934 k = 0.5000 0.2887 0.2034 ( 3418 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2429 -8.2429 -8.1453 -8.1453 -1.8477 -1.8477 -1.7317 -1.7317 -0.4412 -0.4412 -0.4336 -0.4336 -0.2597 -0.2597 -0.0262 -0.0262 0.2184 0.2184 0.2299 0.2299 0.3156 0.3156 0.4760 0.4760 0.8749 0.8749 0.9087 0.9087 3.7580 3.7580 4.1685 4.1685 6.1187 6.1187 6.3289 6.3289 7.3402 7.3402 7.5026 7.5026 9.9711 9.9711 10.6496 10.6496 11.0349 11.0349 11.6429 11.6429 k = 0.5000 0.2887 0.1899 ( 3424 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2429 -8.2429 -8.1453 -8.1453 -1.8471 -1.8471 -1.7325 -1.7325 -0.4419 -0.4419 -0.4332 -0.4332 -0.2582 -0.2582 -0.0269 -0.0269 0.2178 0.2178 0.2303 0.2303 0.3167 0.3167 0.4755 0.4755 0.8732 0.8732 0.9092 0.9092 3.7422 3.7422 4.2055 4.2055 6.1091 6.1091 6.3415 6.3415 7.2738 7.2738 7.4822 7.4822 9.9588 9.9588 10.6598 10.6598 11.1455 11.1455 11.6927 11.6927 k = 0.5000 0.2887 0.1763 ( 3432 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2429 -8.2429 -8.1453 -8.1453 -1.8464 -1.8464 -1.7333 -1.7333 -0.4426 -0.4426 -0.4328 -0.4328 -0.2566 -0.2566 -0.0277 -0.0277 0.2172 0.2172 0.2308 0.2308 0.3179 0.3179 0.4750 0.4750 0.8715 0.8715 0.9097 0.9097 3.7275 3.7275 4.2435 4.2435 6.0989 6.0989 6.3555 6.3555 7.2039 7.2039 7.4604 7.4604 9.9445 9.9445 10.6779 10.6779 11.2616 11.2616 11.7420 11.7420 k = 0.5000 0.2887 0.1628 ( 3434 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2430 -8.2430 -8.1453 -8.1453 -1.8458 -1.8458 -1.7341 -1.7341 -0.4433 -0.4433 -0.4323 -0.4323 -0.2549 -0.2549 -0.0284 -0.0284 0.2167 0.2167 0.2313 0.2313 0.3191 0.3191 0.4745 0.4745 0.8697 0.8697 0.9101 0.9101 3.7140 3.7140 4.2822 4.2822 6.0883 6.0883 6.3707 6.3707 7.1322 7.1322 7.4374 7.4374 9.9285 9.9285 10.7038 10.7038 11.3794 11.3794 11.7918 11.7918 k = 0.5000 0.2887 0.1492 ( 3410 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2430 -8.2430 -8.1453 -8.1453 -1.8451 -1.8451 -1.7349 -1.7349 -0.4439 -0.4439 -0.4319 -0.4319 -0.2532 -0.2532 -0.0292 -0.0292 0.2162 0.2162 0.2318 0.2318 0.3204 0.3204 0.4740 0.4740 0.8680 0.8680 0.9107 0.9107 3.7016 3.7016 4.3213 4.3213 6.0775 6.0775 6.3869 6.3869 7.0599 7.0599 7.4135 7.4135 9.9113 9.9113 10.7371 10.7371 11.4923 11.4923 11.8462 11.8462 k = 0.5000 0.2887 0.1356 ( 3418 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2430 -8.2430 -8.1453 -8.1453 -1.8444 -1.8444 -1.7358 -1.7358 -0.4445 -0.4445 -0.4315 -0.4315 -0.2515 -0.2515 -0.0300 -0.0300 0.2157 0.2157 0.2321 0.2321 0.3216 0.3216 0.4734 0.4734 0.8662 0.8662 0.9111 0.9111 3.6903 3.6903 4.3603 4.3603 6.0668 6.0668 6.4038 6.4038 6.9883 6.9883 7.3890 7.3890 9.8935 9.8935 10.7771 10.7771 11.5887 11.5887 11.9147 11.9147 k = 0.5000 0.2887 0.1221 ( 3424 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2431 -8.2431 -8.1453 -8.1453 -1.8437 -1.8437 -1.7366 -1.7366 -0.4451 -0.4451 -0.4311 -0.4311 -0.2498 -0.2498 -0.0308 -0.0308 0.2152 0.2152 0.2325 0.2325 0.3229 0.3229 0.4729 0.4729 0.8644 0.8644 0.9115 0.9115 3.6801 3.6801 4.3987 4.3987 6.0563 6.0563 6.4212 6.4212 6.9186 6.9186 7.3644 7.3644 9.8756 9.8756 10.8228 10.8228 11.6559 11.6559 12.0087 12.0087 k = 0.5000 0.2887 0.1085 ( 3420 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2431 -8.2431 -8.1453 -8.1453 -1.8431 -1.8431 -1.7374 -1.7374 -0.4457 -0.4457 -0.4308 -0.4308 -0.2482 -0.2482 -0.0315 -0.0315 0.2148 0.2148 0.2328 0.2328 0.3241 0.3241 0.4723 0.4723 0.8628 0.8628 0.9119 0.9119 3.6711 3.6711 4.4361 4.4361 6.0464 6.0464 6.4388 6.4388 6.8520 6.8520 7.3400 7.3400 9.8584 9.8584 10.8735 10.8735 11.6908 11.6908 12.1298 12.1298 k = 0.5000 0.2887 0.0949 ( 3426 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2431 -8.2431 -8.1453 -8.1453 -1.8425 -1.8425 -1.7382 -1.7382 -0.4463 -0.4463 -0.4304 -0.4304 -0.2467 -0.2467 -0.0323 -0.0323 0.2145 0.2145 0.2331 0.2331 0.3252 0.3252 0.4718 0.4718 0.8612 0.8612 0.9123 0.9123 3.6631 3.6631 4.4716 4.4716 6.0371 6.0371 6.4560 6.4560 6.7895 6.7895 7.3163 7.3163 9.8422 9.8422 10.9280 10.9280 11.7009 11.7009 12.2705 12.2705 k = 0.5000 0.2887 0.0814 ( 3426 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2432 -8.2432 -8.1453 -8.1453 -1.8419 -1.8419 -1.7389 -1.7389 -0.4467 -0.4467 -0.4302 -0.4302 -0.2453 -0.2453 -0.0329 -0.0329 0.2141 0.2141 0.2334 0.2334 0.3262 0.3262 0.4714 0.4714 0.8598 0.8598 0.9126 0.9126 3.6563 3.6563 4.5048 4.5048 6.0287 6.0287 6.4726 6.4726 6.7323 6.7323 7.2940 7.2940 9.8274 9.8274 10.9853 10.9853 11.6934 11.6934 12.4234 12.4234 k = 0.5000 0.2887 0.0678 ( 3424 PWs) bands (ev): -26.4358 -26.4358 -9.3210 -9.3210 -8.2432 -8.2432 -8.1453 -8.1453 -1.8414 -1.8414 -1.7395 -1.7395 -0.4471 -0.4471 -0.4299 -0.4299 -0.2441 -0.2441 -0.0335 -0.0335 0.2138 0.2138 0.2336 0.2336 0.3271 0.3271 0.4710 0.4710 0.8586 0.8586 0.9129 0.9129 3.6505 3.6505 4.5347 4.5347 6.0213 6.0213 6.4880 6.4880 6.6814 6.6814 7.2736 7.2736 9.8144 9.8144 11.0443 11.0443 11.6733 11.6733 12.5842 12.5842 k = 0.5000 0.2887 0.0543 ( 3428 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2432 -8.2432 -8.1453 -8.1453 -1.8410 -1.8410 -1.7400 -1.7400 -0.4475 -0.4475 -0.4297 -0.4297 -0.2430 -0.2430 -0.0340 -0.0340 0.2136 0.2136 0.2338 0.2338 0.3279 0.3279 0.4706 0.4706 0.8575 0.8575 0.9131 0.9131 3.6458 3.6458 4.5607 4.5607 6.0150 6.0150 6.5017 6.5017 6.6380 6.6380 7.2557 7.2557 9.8035 9.8035 11.1033 11.1033 11.6441 11.6441 12.7505 12.7505 k = 0.5000 0.2887 0.0407 ( 3432 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2432 -8.2432 -8.1453 -8.1453 -1.8406 -1.8406 -1.7404 -1.7404 -0.4478 -0.4478 -0.4295 -0.4295 -0.2422 -0.2422 -0.0344 -0.0344 0.2134 0.2134 0.2339 0.2339 0.3285 0.3285 0.4703 0.4703 0.8567 0.8567 0.9133 0.9133 3.6421 3.6421 4.5819 4.5819 6.0101 6.0101 6.5131 6.5131 6.6031 6.6031 7.2409 7.2409 9.7948 9.7948 11.1601 11.1601 11.6093 11.6093 12.9206 12.9206 k = 0.5000 0.2887 0.0271 ( 3440 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2432 -8.2432 -8.1453 -8.1453 -1.8404 -1.8404 -1.7407 -1.7407 -0.4480 -0.4480 -0.4294 -0.4294 -0.2416 -0.2416 -0.0346 -0.0346 0.2133 0.2133 0.2340 0.2340 0.3289 0.3289 0.4701 0.4701 0.8560 0.8560 0.9135 0.9135 3.6395 3.6395 4.5976 4.5976 6.0065 6.0065 6.5217 6.5217 6.5774 6.5774 7.2299 7.2299 9.7885 9.7885 11.2111 11.2111 11.5735 11.5735 13.0929 13.0929 k = 0.5000 0.2887 0.0136 ( 3444 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2432 -8.2432 -8.1453 -8.1453 -1.8402 -1.8402 -1.7409 -1.7409 -0.4481 -0.4481 -0.4294 -0.4294 -0.2412 -0.2412 -0.0348 -0.0348 0.2132 0.2132 0.2340 0.2340 0.3292 0.3292 0.4700 0.4700 0.8557 0.8557 0.9135 0.9135 3.6379 3.6379 4.6073 4.6073 6.0043 6.0043 6.5271 6.5271 6.5617 6.5617 7.2231 7.2231 9.7846 9.7846 11.2495 11.2495 11.5440 11.5440 13.2640 13.2640 k = 0.5000 0.2887-0.0000 ( 3446 PWs) bands (ev): -26.4358 -26.4358 -9.3211 -9.3211 -8.2433 -8.2433 -8.1453 -8.1453 -1.8402 -1.8402 -1.7410 -1.7410 -0.4481 -0.4481 -0.4294 -0.4294 -0.2411 -0.2411 -0.0349 -0.0349 0.2132 0.2132 0.2340 0.2340 0.3293 0.3293 0.4699 0.4699 0.8555 0.8555 0.9136 0.9136 3.6374 3.6374 4.6106 4.6106 6.0035 6.0035 6.5289 6.5289 6.5564 6.5564 7.2207 7.2207 9.7834 9.7834 11.2646 11.2646 11.5319 11.5319 13.3894 13.3894 k = 0.3333 0.5774-0.0000 ( 3438 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8007 -1.8007 -1.7184 -1.7184 -0.4670 -0.4670 -0.3904 -0.3904 -0.3051 -0.3051 0.0173 0.0173 0.2352 0.2352 0.2960 0.2960 0.3399 0.3399 0.3990 0.3990 0.9325 0.9325 1.1211 1.1211 4.1600 4.1600 4.1805 4.1805 4.8524 4.8524 6.4912 6.4912 6.5094 6.5094 6.8100 6.8100 11.5522 11.5522 11.5633 11.5633 11.5766 11.5766 12.5020 12.5021 k = 0.3333 0.5774 0.0136 ( 3420 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8006 -1.8006 -1.7183 -1.7183 -0.4669 -0.4669 -0.3903 -0.3903 -0.3051 -0.3051 0.0172 0.0172 0.2352 0.2352 0.2960 0.2960 0.3399 0.3399 0.3990 0.3990 0.9325 0.9325 1.1211 1.1211 4.1596 4.1596 4.1800 4.1800 4.8540 4.8540 6.4932 6.4932 6.5112 6.5112 6.8071 6.8071 11.5480 11.5480 11.5609 11.5609 11.5785 11.5785 12.5047 12.5048 k = 0.3333 0.5774 0.0271 ( 3408 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8006 -1.8006 -1.7183 -1.7183 -0.4668 -0.4668 -0.3903 -0.3903 -0.3051 -0.3051 0.0171 0.0171 0.2352 0.2352 0.2959 0.2959 0.3398 0.3398 0.3989 0.3989 0.9322 0.9322 1.1209 1.1209 4.1581 4.1581 4.1782 4.1782 4.8588 4.8588 6.4991 6.4991 6.5166 6.5166 6.7983 6.7983 11.5359 11.5359 11.5497 11.5497 11.5884 11.5884 12.5127 12.5127 k = 0.3333 0.5774 0.0407 ( 3414 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8005 -1.8005 -1.7182 -1.7182 -0.4666 -0.4666 -0.3903 -0.3903 -0.3052 -0.3052 0.0169 0.0169 0.2352 0.2352 0.2957 0.2957 0.3396 0.3396 0.3987 0.3987 0.9316 0.9316 1.1206 1.1206 4.1558 4.1558 4.1754 4.1754 4.8668 4.8668 6.5088 6.5088 6.5256 6.5256 6.7839 6.7839 11.5163 11.5163 11.5296 11.5296 11.6068 11.6068 12.5252 12.5254 k = 0.3333 0.5774 0.0543 ( 3417 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8004 -1.8004 -1.7181 -1.7181 -0.4664 -0.4664 -0.3902 -0.3902 -0.3053 -0.3053 0.0165 0.0165 0.2352 0.2352 0.2955 0.2955 0.3394 0.3394 0.3984 0.3984 0.9309 0.9309 1.1202 1.1202 4.1525 4.1525 4.1715 4.1715 4.8778 4.8778 6.5221 6.5221 6.5379 6.5379 6.7641 6.7641 11.4900 11.4900 11.5022 11.5022 11.6328 11.6328 12.5417 12.5417 k = 0.3333 0.5774 0.0678 ( 3417 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8002 -1.8002 -1.7179 -1.7179 -0.4661 -0.4661 -0.3901 -0.3901 -0.3054 -0.3054 0.0161 0.0161 0.2353 0.2353 0.2952 0.2952 0.3392 0.3392 0.3980 0.3980 0.9300 0.9300 1.1196 1.1196 4.1486 4.1486 4.1667 4.1667 4.8919 4.8919 6.5388 6.5388 6.5534 6.5534 6.7391 6.7391 11.4579 11.4579 11.4686 11.4686 11.6658 11.6658 12.5610 12.5611 k = 0.3333 0.5774 0.0814 ( 3417 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2178 -8.2178 -8.1906 -8.1906 -1.8000 -1.8000 -1.7178 -1.7178 -0.4657 -0.4657 -0.3900 -0.3900 -0.3055 -0.3055 0.0156 0.0156 0.2353 0.2353 0.2949 0.2949 0.3389 0.3389 0.3975 0.3975 0.9289 0.9289 1.1190 1.1190 4.1439 4.1439 4.1610 4.1610 4.9089 4.9089 6.5586 6.5586 6.5717 6.5717 6.7095 6.7095 11.4211 11.4211 11.4300 11.4300 11.7054 11.7054 12.5823 12.5824 k = 0.3333 0.5774 0.0949 ( 3414 PWs) bands (ev): -26.4346 -26.4346 -9.3247 -9.3247 -8.2177 -8.2177 -8.1906 -8.1906 -1.7998 -1.7998 -1.7176 -1.7176 -0.4653 -0.4653 -0.3899 -0.3899 -0.3056 -0.3056 0.0151 0.0151 0.2353 0.2353 0.2945 0.2945 0.3386 0.3386 0.3970 0.3970 0.9277 0.9277 1.1183 1.1183 4.1387 4.1387 4.1548 4.1548 4.9287 4.9287 6.5810 6.5810 6.5926 6.5926 6.6756 6.6756 11.3805 11.3805 11.3874 11.3875 11.7512 11.7512 12.6045 12.6045 k = 0.3333 0.5774 0.1085 ( 3408 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2177 -8.2177 -8.1906 -8.1906 -1.7996 -1.7996 -1.7174 -1.7174 -0.4648 -0.4648 -0.3898 -0.3898 -0.3057 -0.3057 0.0144 0.0144 0.2353 0.2353 0.2941 0.2941 0.3382 0.3382 0.3965 0.3965 0.9264 0.9264 1.1175 1.1175 4.1330 4.1330 4.1479 4.1479 4.9512 4.9512 6.6051 6.6051 6.6156 6.6156 6.6386 6.6386 11.3372 11.3372 11.3419 11.3419 11.8026 11.8026 12.6268 12.6269 k = 0.3333 0.5774 0.1221 ( 3426 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2177 -8.2177 -8.1906 -8.1906 -1.7993 -1.7993 -1.7172 -1.7172 -0.4643 -0.4643 -0.3897 -0.3897 -0.3059 -0.3059 0.0137 0.0137 0.2353 0.2353 0.2936 0.2936 0.3378 0.3378 0.3959 0.3959 0.9250 0.9250 1.1167 1.1167 4.1270 4.1270 4.1408 4.1408 4.9762 4.9762 6.5951 6.5951 6.6341 6.6341 6.6404 6.6404 11.2919 11.2919 11.2944 11.2944 11.8593 11.8593 12.6485 12.6485 k = 0.3333 0.5774 0.1356 ( 3417 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2176 -8.2176 -8.1906 -8.1906 -1.7991 -1.7991 -1.7170 -1.7170 -0.4638 -0.4638 -0.3896 -0.3896 -0.3060 -0.3060 0.0130 0.0130 0.2354 0.2354 0.2932 0.2932 0.3374 0.3374 0.3953 0.3953 0.9235 0.9235 1.1158 1.1158 4.1209 4.1209 4.1334 4.1334 5.0034 5.0034 6.5520 6.5520 6.6615 6.6615 6.6664 6.6664 11.2456 11.2456 11.2458 11.2458 11.9205 11.9205 12.6688 12.6689 k = 0.3333 0.5774 0.1492 ( 3411 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2176 -8.2176 -8.1906 -8.1906 -1.7988 -1.7988 -1.7167 -1.7167 -0.4632 -0.4632 -0.3894 -0.3894 -0.3061 -0.3061 0.0123 0.0123 0.2355 0.2355 0.2927 0.2927 0.3370 0.3370 0.3947 0.3947 0.9221 0.9221 1.1150 1.1150 4.1147 4.1147 4.1260 4.1260 5.0327 5.0327 6.5063 6.5063 6.6902 6.6902 6.6932 6.6932 11.1969 11.1969 11.1990 11.1990 11.9859 11.9859 12.6874 12.6875 k = 0.3333 0.5774 0.1628 ( 3411 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2176 -8.2176 -8.1906 -8.1906 -1.7985 -1.7985 -1.7165 -1.7165 -0.4627 -0.4627 -0.3893 -0.3893 -0.3063 -0.3063 0.0116 0.0116 0.2355 0.2355 0.2922 0.2922 0.3365 0.3365 0.3941 0.3941 0.9206 0.9206 1.1141 1.1141 4.1086 4.1086 4.1186 4.1186 5.0635 5.0635 6.4591 6.4591 6.7193 6.7193 6.7202 6.7202 11.1487 11.1487 11.1531 11.1531 12.0547 12.0547 12.7039 12.7039 k = 0.3333 0.5774 0.1763 ( 3429 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2175 -8.2175 -8.1906 -8.1906 -1.7983 -1.7983 -1.7163 -1.7163 -0.4622 -0.4622 -0.3892 -0.3892 -0.3065 -0.3065 0.0108 0.0108 0.2355 0.2355 0.2917 0.2917 0.3361 0.3361 0.3935 0.3935 0.9191 0.9191 1.1132 1.1132 4.1027 4.1027 4.1116 4.1116 5.0957 5.0957 6.4112 6.4112 6.7469 6.7469 6.7481 6.7481 11.1019 11.1019 11.1085 11.1085 12.1266 12.1266 12.7180 12.7180 k = 0.3333 0.5774 0.1899 ( 3429 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2175 -8.2175 -8.1906 -8.1906 -1.7980 -1.7980 -1.7161 -1.7161 -0.4617 -0.4617 -0.3891 -0.3891 -0.3066 -0.3066 0.0101 0.0101 0.2356 0.2356 0.2912 0.2912 0.3357 0.3357 0.3929 0.3929 0.9177 0.9177 1.1124 1.1124 4.0971 4.0971 4.1049 4.1049 5.1286 5.1286 6.3634 6.3634 6.7728 6.7728 6.7760 6.7760 11.0573 11.0573 11.0661 11.0661 12.2010 12.2010 12.7298 12.7299 k = 0.3333 0.5774 0.2034 ( 3426 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2175 -8.2175 -8.1906 -8.1906 -1.7978 -1.7978 -1.7158 -1.7158 -0.4612 -0.4612 -0.3890 -0.3890 -0.3067 -0.3067 0.0095 0.0095 0.2357 0.2357 0.2908 0.2908 0.3353 0.3353 0.3924 0.3924 0.9164 0.9164 1.1117 1.1117 4.0919 4.0919 4.0987 4.0987 5.1616 5.1616 6.3165 6.3165 6.7972 6.7972 6.8023 6.8023 11.0158 11.0158 11.0266 11.0266 12.2772 12.2772 12.7394 12.7394 k = 0.3333 0.5774 0.2170 ( 3432 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2174 -8.2174 -8.1906 -8.1906 -1.7976 -1.7976 -1.7157 -1.7157 -0.4608 -0.4608 -0.3889 -0.3889 -0.3069 -0.3069 0.0089 0.0089 0.2357 0.2357 0.2903 0.2903 0.3350 0.3350 0.3920 0.3920 0.9152 0.9152 1.1110 1.1110 4.0872 4.0872 4.0931 4.0931 5.1940 5.1940 6.2717 6.2717 6.8198 6.8198 6.8266 6.8266 10.9780 10.9780 10.9906 10.9906 12.3548 12.3548 12.7468 12.7468 k = 0.3333 0.5774 0.2306 ( 3426 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2174 -8.2174 -8.1905 -8.1905 -1.7974 -1.7974 -1.7155 -1.7155 -0.4604 -0.4604 -0.3888 -0.3888 -0.3070 -0.3070 0.0083 0.0083 0.2358 0.2358 0.2900 0.2900 0.3347 0.3347 0.3915 0.3915 0.9142 0.9142 1.1103 1.1103 4.0831 4.0831 4.0882 4.0882 5.2248 5.2248 6.2300 6.2300 6.8398 6.8398 6.8482 6.8482 10.9447 10.9447 10.9589 10.9589 12.4332 12.4332 12.7524 12.7524 k = 0.3333 0.5774 0.2441 ( 3417 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2174 -8.2174 -8.1905 -8.1905 -1.7972 -1.7972 -1.7153 -1.7153 -0.4600 -0.4600 -0.3887 -0.3887 -0.3070 -0.3070 0.0079 0.0079 0.2359 0.2359 0.2897 0.2897 0.3344 0.3344 0.3912 0.3912 0.9133 0.9133 1.1098 1.1098 4.0797 4.0797 4.0841 4.0841 5.2529 5.2529 6.1928 6.1928 6.8570 6.8570 6.8667 6.8667 10.9164 10.9164 10.9321 10.9321 12.5116 12.5116 12.7564 12.7564 k = 0.3333 0.5774 0.2577 ( 3411 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2174 -8.2174 -8.1905 -8.1905 -1.7971 -1.7971 -1.7152 -1.7152 -0.4597 -0.4597 -0.3886 -0.3886 -0.3071 -0.3071 0.0075 0.0075 0.2359 0.2359 0.2894 0.2894 0.3342 0.3342 0.3909 0.3909 0.9126 0.9126 1.1094 1.1094 4.0770 4.0770 4.0809 4.0809 5.2770 5.2770 6.1615 6.1615 6.8708 6.8708 6.8816 6.8816 10.8939 10.8939 10.9107 10.9107 12.5894 12.5894 12.7592 12.7592 k = 0.3333 0.5774 0.2713 ( 3420 PWs) bands (ev): -26.4346 -26.4346 -9.3246 -9.3246 -8.2174 -8.2174 -8.1905 -8.1905 -1.7970 -1.7970 -1.7152 -1.7152 -0.4596 -0.4596 -0.3886 -0.3886 -0.3072 -0.3072 0.0073 0.0073 0.2359 0.2359 0.2892 0.2892 0.3341 0.3341 0.3907 0.3907 0.9120 0.9120 1.1091 1.1091 4.0750 4.0750 4.0785 4.0785 5.2956 5.2956 6.1376 6.1376 6.8809 6.8809 6.8925 6.8925 10.8774 10.8774 10.8950 10.8950 12.6650 12.6650 12.7610 12.7610 k = 0.3333 0.5774 0.2848 ( 3420 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2174 -8.2174 -8.1905 -8.1905 -1.7969 -1.7969 -1.7151 -1.7151 -0.4594 -0.4594 -0.3886 -0.3886 -0.3072 -0.3072 0.0071 0.0071 0.2360 0.2360 0.2891 0.2891 0.3340 0.3340 0.3906 0.3906 0.9117 0.9117 1.1089 1.1089 4.0738 4.0738 4.0771 4.0771 5.3074 5.3074 6.1226 6.1226 6.8871 6.8871 6.8991 6.8991 10.8674 10.8674 10.8855 10.8855 12.7347 12.7347 12.7620 12.7620 k = 0.3333 0.5774 0.2984 ( 3420 PWs) bands (ev): -26.4346 -26.4346 -9.3245 -9.3245 -8.2174 -8.2174 -8.1905 -8.1905 -1.7969 -1.7969 -1.7151 -1.7151 -0.4594 -0.4594 -0.3886 -0.3886 -0.3072 -0.3072 0.0070 0.0070 0.2360 0.2360 0.2890 0.2890 0.3340 0.3340 0.3906 0.3906 0.9116 0.9116 1.1089 1.1089 4.0734 4.0734 4.0766 4.0766 5.3115 5.3115 6.1175 6.1175 6.8891 6.8891 6.9014 6.9014 10.8640 10.8640 10.8823 10.8823 12.7623 12.7623 12.7740 12.7740 Writing output data file SrxCdPx2.save init_run : 0.88s CPU 1.35s WALL ( 1 calls) electrons : 221.82s CPU 226.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.05s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 221.81s CPU 226.08s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.36s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 307 calls) cegterg : 210.30s CPU 213.31s WALL ( 806 calls) Called by sum_band: Called by *egterg: h_psi : 101.21s CPU 102.95s WALL ( 14270 calls) s_psi : 8.52s CPU 8.69s WALL ( 14270 calls) g_psi : 0.22s CPU 0.25s WALL ( 13157 calls) cdiaghg : 88.36s CPU 89.53s WALL ( 13464 calls) cegterg:over : 7.13s CPU 7.34s WALL ( 13157 calls) cegterg:upda : 7.26s CPU 7.21s WALL ( 13157 calls) cegterg:last : 3.14s CPU 3.07s WALL ( 1725 calls) cdiaghg:chol : 5.09s CPU 5.02s WALL ( 13464 calls) cdiaghg:inve : 3.05s CPU 3.25s WALL ( 13464 calls) cdiaghg:para : 5.23s CPU 5.19s WALL ( 26928 calls) Called by h_psi: h_psi:vloc : 81.82s CPU 83.21s WALL ( 14270 calls) h_psi:vnl : 19.14s CPU 19.49s WALL ( 14270 calls) add_vuspsi : 10.21s CPU 10.27s WALL ( 14270 calls) General routines calbec : 8.89s CPU 9.18s WALL ( 14270 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.21s CPU 68.67s WALL ( 1062348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.21s WALL ( 614 calls) Parallel routines fft_scatter : 26.70s CPU 27.28s WALL ( 1062371 calls) PWSCF : 3m57.01s CPU 4m29.11s WALL This run was terminated on: 16:48:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=