Program PWSCF v.5.1.1 starts on 31Jul2015 at 6:59:10 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./LaCl3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 57 16 1684 1416 214 Max 66 58 17 1685 1429 218 Sum 3091 2749 769 80841 68281 10363 bravais-lattice index = 14 lattice parameter (alat) = 14.1312 a.u. unit-cell volume = 1429.6011 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.131182 celldm(2)= 1.000000 celldm(3)= 0.584990 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 0.584990 ) 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 1.709430 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 La 3.00 138.90550 La( 1.00) Cl 7.00 35.45300 Cl( 1.00) 12 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2924952 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2924952 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2924952 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 [0,0,1] cryst. s( 8) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 8) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2924952 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2924952 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2924952 ) isym = 11 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(11) = ( 0 -1 0 ) ( 1 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. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(12) = ( 1 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 C_6h (6/m) there are 24 classes and 12 irreducible representations the character table: E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7+ 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_8+ 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_11+ 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_12+ 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_9+ 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_10+ 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_7- 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_8- 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_11- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_12- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_9- 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_10- 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 i -i S3^5 -S3^5 S6^5 -S6^5 s_h -s_h S6 -S6 S3 -S3 G_7+ 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_8+ 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_11+ 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_12+ 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_9+ 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_10+ 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_7- -1.00 1.00 -0.87 0.87 -0.50 0.50 0.00 0.00 -0.50 0.50 -0.87 0.87 G_8- -1.00 1.00 -0.87 0.87 -0.50 0.50 0.00 0.00 -0.50 0.50 -0.87 0.87 G_11- -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_12- -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_9- -1.00 1.00 0.87 -0.87 -0.50 0.50 0.00 0.00 -0.50 0.50 0.87 -0.87 G_10- -1.00 1.00 0.87 -0.87 -0.50 0.50 0.00 0.00 -0.50 0.50 0.87 -0.87 imaginary part E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7+ 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_8+ 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_11+ 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_12+ 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_9+ 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 G_10+ 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 G_7- 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_8- 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_11- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_12- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_9- 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 G_10- 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 i -i S3^5 -S3^5 S6^5 -S6^5 s_h -s_h S6 -S6 S3 -S3 G_7+ 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_8+ 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_11+ 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_12+ 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_9+ 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 G_10+ 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 G_7- 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_8- 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_11- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_12- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_9- 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 G_10- 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 the symmetry operations in each class: E 1 C2 2 C6 3 C6^5 4 C3 5 C3^2 6 i 7 s_h 8 S3^5 9 S3 10 S6^5 11 S6 12 -E -1 -C2 -2 -C6 -3 -C6^5 -4 -C3 -5 -C3^2 -6 -i -7 -s_h -8 -S3^5 -9 -S3 -10 -S6^5 -11 -S6 -12 Cartesian axes number of k points= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0039216 k( 3) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0039216 k( 4) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0039216 k( 5) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0039216 k( 6) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0039216 k( 7) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0039216 k( 8) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0039216 k( 9) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0039216 k( 10) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0039216 k( 11) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0039216 k( 12) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0039216 k( 13) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0039216 k( 14) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0039216 k( 15) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0039216 k( 16) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0039216 k( 17) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0039216 k( 18) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0039216 k( 19) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0039216 k( 20) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0039216 k( 21) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0039216 k( 22) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0039216 k( 23) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0039216 k( 24) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0039216 k( 25) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0039216 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039216 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039216 k( 28) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0039216 k( 29) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0039216 k( 30) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0039216 k( 31) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0039216 k( 32) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0039216 k( 33) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0039216 k( 34) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0039216 k( 35) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0039216 k( 36) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0039216 k( 37) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0039216 k( 38) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0039216 k( 39) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0039216 k( 40) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0039216 k( 41) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0039216 k( 42) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039216 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039216 k( 44) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0039216 k( 45) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0039216 k( 46) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0039216 k( 47) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0039216 k( 48) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0039216 k( 49) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0039216 k( 50) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0039216 k( 51) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0039216 k( 52) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0039216 k( 53) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0039216 k( 54) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0039216 k( 55) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0039216 k( 56) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0039216 k( 57) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0039216 k( 58) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0039216 k( 59) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0039216 k( 60) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0039216 k( 61) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0039216 k( 62) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0039216 k( 63) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0039216 k( 64) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0039216 k( 65) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0039216 k( 66) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0039216 k( 67) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0039216 k( 68) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0039216 k( 69) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0039216 k( 70) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0039216 k( 71) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0039216 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 74) = ( 0.0000000 0.0000000 0.0237421), wk = 0.0039216 k( 75) = ( 0.0000000 0.0000000 0.0474842), wk = 0.0039216 k( 76) = ( 0.0000000 0.0000000 0.0712262), wk = 0.0039216 k( 77) = ( 0.0000000 0.0000000 0.0949683), wk = 0.0039216 k( 78) = ( 0.0000000 0.0000000 0.1187104), wk = 0.0039216 k( 79) = ( 0.0000000 0.0000000 0.1424525), wk = 0.0039216 k( 80) = ( 0.0000000 0.0000000 0.1661945), wk = 0.0039216 k( 81) = ( 0.0000000 0.0000000 0.1899366), wk = 0.0039216 k( 82) = ( 0.0000000 0.0000000 0.2136787), wk = 0.0039216 k( 83) = ( 0.0000000 0.0000000 0.2374208), wk = 0.0039216 k( 84) = ( 0.0000000 0.0000000 0.2611629), wk = 0.0039216 k( 85) = ( 0.0000000 0.0000000 0.2849049), wk = 0.0039216 k( 86) = ( 0.0000000 0.0000000 0.3086470), wk = 0.0039216 k( 87) = ( 0.0000000 0.0000000 0.3323891), wk = 0.0039216 k( 88) = ( 0.0000000 0.0000000 0.3561312), wk = 0.0039216 k( 89) = ( 0.0000000 0.0000000 0.3798733), wk = 0.0039216 k( 90) = ( 0.0000000 0.0000000 0.4036153), wk = 0.0039216 k( 91) = ( 0.0000000 0.0000000 0.4273574), wk = 0.0039216 k( 92) = ( 0.0000000 0.0000000 0.4510995), wk = 0.0039216 k( 93) = ( 0.0000000 0.0000000 0.4748416), wk = 0.0039216 k( 94) = ( 0.0000000 0.0000000 0.4985837), wk = 0.0039216 k( 95) = ( 0.0000000 0.0000000 0.5223257), wk = 0.0039216 k( 96) = ( 0.0000000 0.0000000 0.5460678), wk = 0.0039216 k( 97) = ( 0.0000000 0.0000000 0.5698099), wk = 0.0039216 k( 98) = ( 0.0000000 0.0000000 0.5935520), wk = 0.0039216 k( 99) = ( 0.0000000 0.0000000 0.6172940), wk = 0.0039216 k( 100) = ( 0.0000000 0.0000000 0.6410361), wk = 0.0039216 k( 101) = ( 0.0000000 0.0000000 0.6647782), wk = 0.0039216 k( 102) = ( 0.0000000 0.0000000 0.6885203), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.7122624), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.7360044), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.7597465), wk = 0.0039216 k( 106) = ( 0.0000000 0.0000000 0.7834886), wk = 0.0039216 k( 107) = ( 0.0000000 0.0000000 0.8072307), wk = 0.0039216 k( 108) = ( 0.0000000 0.0000000 0.8309727), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.8547148), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.8547148), wk = 0.0039216 k( 111) = ( 0.0200000 0.0115470 0.8547148), wk = 0.0039216 k( 112) = ( 0.0400000 0.0230940 0.8547148), wk = 0.0039216 k( 113) = ( 0.0600000 0.0346410 0.8547148), wk = 0.0039216 k( 114) = ( 0.0800000 0.0461880 0.8547148), wk = 0.0039216 k( 115) = ( 0.1000000 0.0577350 0.8547148), wk = 0.0039216 k( 116) = ( 0.1200000 0.0692820 0.8547148), wk = 0.0039216 k( 117) = ( 0.1400000 0.0808290 0.8547148), wk = 0.0039216 k( 118) = ( 0.1600000 0.0923760 0.8547148), wk = 0.0039216 k( 119) = ( 0.1800000 0.1039230 0.8547148), wk = 0.0039216 k( 120) = ( 0.2000000 0.1154701 0.8547148), wk = 0.0039216 k( 121) = ( 0.2200000 0.1270171 0.8547148), wk = 0.0039216 k( 122) = ( 0.2400000 0.1385641 0.8547148), wk = 0.0039216 k( 123) = ( 0.2600000 0.1501111 0.8547148), wk = 0.0039216 k( 124) = ( 0.2800000 0.1616581 0.8547148), wk = 0.0039216 k( 125) = ( 0.3000000 0.1732051 0.8547148), wk = 0.0039216 k( 126) = ( 0.3200000 0.1847521 0.8547148), wk = 0.0039216 k( 127) = ( 0.3400000 0.1962991 0.8547148), wk = 0.0039216 k( 128) = ( 0.3600000 0.2078461 0.8547148), wk = 0.0039216 k( 129) = ( 0.3800000 0.2193931 0.8547148), wk = 0.0039216 k( 130) = ( 0.4000000 0.2309401 0.8547148), wk = 0.0039216 k( 131) = ( 0.4200000 0.2424871 0.8547148), wk = 0.0039216 k( 132) = ( 0.4400000 0.2540341 0.8547148), wk = 0.0039216 k( 133) = ( 0.4600000 0.2655811 0.8547148), wk = 0.0039216 k( 134) = ( 0.4800000 0.2771281 0.8547148), wk = 0.0039216 k( 135) = ( 0.5000000 0.2886751 0.8547148), wk = 0.0039216 k( 136) = ( 0.5000000 0.2886751 0.8547148), wk = 0.0039216 k( 137) = ( 0.4888889 0.3079201 0.8547148), wk = 0.0039216 k( 138) = ( 0.4777778 0.3271651 0.8547148), wk = 0.0039216 k( 139) = ( 0.4666667 0.3464102 0.8547148), wk = 0.0039216 k( 140) = ( 0.4555556 0.3656552 0.8547148), wk = 0.0039216 k( 141) = ( 0.4444444 0.3849002 0.8547148), wk = 0.0039216 k( 142) = ( 0.4333333 0.4041452 0.8547148), wk = 0.0039216 k( 143) = ( 0.4222222 0.4233902 0.8547148), wk = 0.0039216 k( 144) = ( 0.4111111 0.4426352 0.8547148), wk = 0.0039216 k( 145) = ( 0.4000000 0.4618802 0.8547148), wk = 0.0039216 k( 146) = ( 0.3888889 0.4811252 0.8547148), wk = 0.0039216 k( 147) = ( 0.3777778 0.5003702 0.8547148), wk = 0.0039216 k( 148) = ( 0.3666667 0.5196152 0.8547148), wk = 0.0039216 k( 149) = ( 0.3555556 0.5388603 0.8547148), wk = 0.0039216 k( 150) = ( 0.3444444 0.5581053 0.8547148), wk = 0.0039216 k( 151) = ( 0.3333333 0.5773503 0.8547148), wk = 0.0039216 k( 152) = ( 0.3333333 0.5773503 0.8547148), wk = 0.0039216 k( 153) = ( 0.3218391 0.5574416 0.8547148), wk = 0.0039216 k( 154) = ( 0.3103448 0.5375330 0.8547148), wk = 0.0039216 k( 155) = ( 0.2988506 0.5176244 0.8547148), wk = 0.0039216 k( 156) = ( 0.2873563 0.4977157 0.8547148), wk = 0.0039216 k( 157) = ( 0.2758621 0.4778071 0.8547148), wk = 0.0039216 k( 158) = ( 0.2643678 0.4578985 0.8547148), wk = 0.0039216 k( 159) = ( 0.2528736 0.4379899 0.8547148), wk = 0.0039216 k( 160) = ( 0.2413793 0.4180812 0.8547148), wk = 0.0039216 k( 161) = ( 0.2298851 0.3981726 0.8547148), wk = 0.0039216 k( 162) = ( 0.2183908 0.3782640 0.8547148), wk = 0.0039216 k( 163) = ( 0.2068966 0.3583553 0.8547148), wk = 0.0039216 k( 164) = ( 0.1954023 0.3384467 0.8547148), wk = 0.0039216 k( 165) = ( 0.1839080 0.3185381 0.8547148), wk = 0.0039216 k( 166) = ( 0.1724138 0.2986294 0.8547148), wk = 0.0039216 k( 167) = ( 0.1609195 0.2787208 0.8547148), wk = 0.0039216 k( 168) = ( 0.1494253 0.2588122 0.8547148), wk = 0.0039216 k( 169) = ( 0.1379310 0.2389036 0.8547148), wk = 0.0039216 k( 170) = ( 0.1264368 0.2189949 0.8547148), wk = 0.0039216 k( 171) = ( 0.1149425 0.1990863 0.8547148), wk = 0.0039216 k( 172) = ( 0.1034483 0.1791777 0.8547148), wk = 0.0039216 k( 173) = ( 0.0919540 0.1592690 0.8547148), wk = 0.0039216 k( 174) = ( 0.0804598 0.1393604 0.8547148), wk = 0.0039216 k( 175) = ( 0.0689655 0.1194518 0.8547148), wk = 0.0039216 k( 176) = ( 0.0574713 0.0995431 0.8547148), wk = 0.0039216 k( 177) = ( 0.0459770 0.0796345 0.8547148), wk = 0.0039216 k( 178) = ( 0.0344828 0.0597259 0.8547148), wk = 0.0039216 k( 179) = ( 0.0229885 0.0398173 0.8547148), wk = 0.0039216 k( 180) = ( 0.0114942 0.0199086 0.8547148), wk = 0.0039216 k( 181) = ( 0.0000000 0.0000000 0.8547148), wk = 0.0039216 k( 182) = ( 0.5000000 0.2886751 0.8547148), wk = 0.0039216 k( 183) = ( 0.5000000 0.2886751 0.8309727), wk = 0.0039216 k( 184) = ( 0.5000000 0.2886751 0.8072307), wk = 0.0039216 k( 185) = ( 0.5000000 0.2886751 0.7834886), wk = 0.0039216 k( 186) = ( 0.5000000 0.2886751 0.7597465), wk = 0.0039216 k( 187) = ( 0.5000000 0.2886751 0.7360044), wk = 0.0039216 k( 188) = ( 0.5000000 0.2886751 0.7122624), wk = 0.0039216 k( 189) = ( 0.5000000 0.2886751 0.6885203), wk = 0.0039216 k( 190) = ( 0.5000000 0.2886751 0.6647782), wk = 0.0039216 k( 191) = ( 0.5000000 0.2886751 0.6410361), wk = 0.0039216 k( 192) = ( 0.5000000 0.2886751 0.6172940), wk = 0.0039216 k( 193) = ( 0.5000000 0.2886751 0.5935520), wk = 0.0039216 k( 194) = ( 0.5000000 0.2886751 0.5698099), wk = 0.0039216 k( 195) = ( 0.5000000 0.2886751 0.5460678), wk = 0.0039216 k( 196) = ( 0.5000000 0.2886751 0.5223257), wk = 0.0039216 k( 197) = ( 0.5000000 0.2886751 0.4985837), wk = 0.0039216 k( 198) = ( 0.5000000 0.2886751 0.4748416), wk = 0.0039216 k( 199) = ( 0.5000000 0.2886751 0.4510995), wk = 0.0039216 k( 200) = ( 0.5000000 0.2886751 0.4273574), wk = 0.0039216 k( 201) = ( 0.5000000 0.2886751 0.4036153), wk = 0.0039216 k( 202) = ( 0.5000000 0.2886751 0.3798733), wk = 0.0039216 k( 203) = ( 0.5000000 0.2886751 0.3561312), wk = 0.0039216 k( 204) = ( 0.5000000 0.2886751 0.3323891), wk = 0.0039216 k( 205) = ( 0.5000000 0.2886751 0.3086470), wk = 0.0039216 k( 206) = ( 0.5000000 0.2886751 0.2849049), wk = 0.0039216 k( 207) = ( 0.5000000 0.2886751 0.2611629), wk = 0.0039216 k( 208) = ( 0.5000000 0.2886751 0.2374208), wk = 0.0039216 k( 209) = ( 0.5000000 0.2886751 0.2136787), wk = 0.0039216 k( 210) = ( 0.5000000 0.2886751 0.1899366), wk = 0.0039216 k( 211) = ( 0.5000000 0.2886751 0.1661945), wk = 0.0039216 k( 212) = ( 0.5000000 0.2886751 0.1424525), wk = 0.0039216 k( 213) = ( 0.5000000 0.2886751 0.1187104), wk = 0.0039216 k( 214) = ( 0.5000000 0.2886751 0.0949683), wk = 0.0039216 k( 215) = ( 0.5000000 0.2886751 0.0712262), wk = 0.0039216 k( 216) = ( 0.5000000 0.2886751 0.0474842), wk = 0.0039216 k( 217) = ( 0.5000000 0.2886751 0.0237421), wk = 0.0039216 k( 218) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0039216 k( 219) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0039216 k( 220) = ( 0.3333333 0.5773503 0.0237421), wk = 0.0039216 k( 221) = ( 0.3333333 0.5773503 0.0474842), wk = 0.0039216 k( 222) = ( 0.3333333 0.5773503 0.0712262), wk = 0.0039216 k( 223) = ( 0.3333333 0.5773503 0.0949683), wk = 0.0039216 k( 224) = ( 0.3333333 0.5773503 0.1187104), wk = 0.0039216 k( 225) = ( 0.3333333 0.5773503 0.1424525), wk = 0.0039216 k( 226) = ( 0.3333333 0.5773503 0.1661945), wk = 0.0039216 k( 227) = ( 0.3333333 0.5773503 0.1899366), wk = 0.0039216 k( 228) = ( 0.3333333 0.5773503 0.2136787), wk = 0.0039216 k( 229) = ( 0.3333333 0.5773503 0.2374208), wk = 0.0039216 k( 230) = ( 0.3333333 0.5773503 0.2611629), wk = 0.0039216 k( 231) = ( 0.3333333 0.5773503 0.2849049), wk = 0.0039216 k( 232) = ( 0.3333333 0.5773503 0.3086470), wk = 0.0039216 k( 233) = ( 0.3333333 0.5773503 0.3323891), wk = 0.0039216 k( 234) = ( 0.3333333 0.5773503 0.3561312), wk = 0.0039216 k( 235) = ( 0.3333333 0.5773503 0.3798733), wk = 0.0039216 k( 236) = ( 0.3333333 0.5773503 0.4036153), wk = 0.0039216 k( 237) = ( 0.3333333 0.5773503 0.4273574), wk = 0.0039216 k( 238) = ( 0.3333333 0.5773503 0.4510995), wk = 0.0039216 k( 239) = ( 0.3333333 0.5773503 0.4748416), wk = 0.0039216 k( 240) = ( 0.3333333 0.5773503 0.4985837), wk = 0.0039216 k( 241) = ( 0.3333333 0.5773503 0.5223257), wk = 0.0039216 k( 242) = ( 0.3333333 0.5773503 0.5460678), wk = 0.0039216 k( 243) = ( 0.3333333 0.5773503 0.5698099), wk = 0.0039216 k( 244) = ( 0.3333333 0.5773503 0.5935520), wk = 0.0039216 k( 245) = ( 0.3333333 0.5773503 0.6172940), wk = 0.0039216 k( 246) = ( 0.3333333 0.5773503 0.6410361), wk = 0.0039216 k( 247) = ( 0.3333333 0.5773503 0.6647782), wk = 0.0039216 k( 248) = ( 0.3333333 0.5773503 0.6885203), wk = 0.0039216 k( 249) = ( 0.3333333 0.5773503 0.7122624), wk = 0.0039216 k( 250) = ( 0.3333333 0.5773503 0.7360044), wk = 0.0039216 k( 251) = ( 0.3333333 0.5773503 0.7597465), wk = 0.0039216 k( 252) = ( 0.3333333 0.5773503 0.7834886), wk = 0.0039216 k( 253) = ( 0.3333333 0.5773503 0.8072307), wk = 0.0039216 k( 254) = ( 0.3333333 0.5773503 0.8309727), wk = 0.0039216 k( 255) = ( 0.3333333 0.5773503 0.8547148), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0039216 k( 3) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0039216 k( 4) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0039216 k( 5) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0039216 k( 6) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0039216 k( 7) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0039216 k( 8) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0039216 k( 9) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0039216 k( 10) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0039216 k( 11) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0039216 k( 12) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0039216 k( 13) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0039216 k( 14) = ( 0.2600000 -0.0000000 0.0000000), wk = 0.0039216 k( 15) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0039216 k( 16) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0039216 k( 17) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0039216 k( 18) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0039216 k( 19) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0039216 k( 20) = ( 0.3800000 0.0000000 -0.0000000), wk = 0.0039216 k( 21) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0039216 k( 22) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0039216 k( 23) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0039216 k( 24) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0039216 k( 25) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0039216 k( 26) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0039216 k( 27) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0039216 k( 28) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0039216 k( 29) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0039216 k( 30) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0039216 k( 31) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0039216 k( 32) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0039216 k( 33) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0039216 k( 34) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0039216 k( 35) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0039216 k( 36) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0039216 k( 37) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0039216 k( 38) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0039216 k( 39) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0039216 k( 40) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0039216 k( 41) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0039216 k( 42) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0039216 k( 43) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0039216 k( 44) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0039216 k( 45) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0039216 k( 46) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0039216 k( 47) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0039216 k( 48) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0039216 k( 49) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0039216 k( 50) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0039216 k( 51) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0039216 k( 52) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0039216 k( 53) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0039216 k( 54) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0039216 k( 55) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0039216 k( 56) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0039216 k( 57) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0039216 k( 58) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0039216 k( 59) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0039216 k( 60) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0039216 k( 61) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0039216 k( 62) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0039216 k( 63) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0039216 k( 64) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0039216 k( 65) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0039216 k( 66) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0039216 k( 67) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0039216 k( 68) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0039216 k( 69) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0039216 k( 70) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0039216 k( 71) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0039216 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 74) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0039216 k( 75) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039216 k( 76) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039216 k( 77) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039216 k( 78) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0039216 k( 79) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039216 k( 80) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0039216 k( 81) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039216 k( 82) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039216 k( 83) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039216 k( 84) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0039216 k( 85) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039216 k( 86) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0039216 k( 87) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039216 k( 88) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039216 k( 89) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039216 k( 90) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0039216 k( 91) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039216 k( 92) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0039216 k( 93) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039216 k( 94) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039216 k( 95) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039216 k( 96) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0039216 k( 97) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039216 k( 98) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0039216 k( 99) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039216 k( 100) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039216 k( 101) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039216 k( 102) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039216 k( 106) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039216 k( 107) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039216 k( 108) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 111) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0039216 k( 112) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0039216 k( 113) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0039216 k( 114) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0039216 k( 115) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0039216 k( 116) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0039216 k( 117) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0039216 k( 118) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0039216 k( 119) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0039216 k( 120) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0039216 k( 121) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0039216 k( 122) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0039216 k( 123) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0039216 k( 124) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0039216 k( 125) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0039216 k( 126) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0039216 k( 127) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0039216 k( 128) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0039216 k( 129) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0039216 k( 130) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0039216 k( 131) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0039216 k( 132) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0039216 k( 133) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0039216 k( 134) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0039216 k( 135) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039216 k( 136) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039216 k( 137) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0039216 k( 138) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0039216 k( 139) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0039216 k( 140) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0039216 k( 141) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0039216 k( 142) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0039216 k( 143) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0039216 k( 144) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0039216 k( 145) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0039216 k( 146) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0039216 k( 147) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0039216 k( 148) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0039216 k( 149) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0039216 k( 150) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0039216 k( 151) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039216 k( 152) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039216 k( 153) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0039216 k( 154) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0039216 k( 155) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0039216 k( 156) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0039216 k( 157) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0039216 k( 158) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0039216 k( 159) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0039216 k( 160) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0039216 k( 161) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0039216 k( 162) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0039216 k( 163) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0039216 k( 164) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0039216 k( 165) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0039216 k( 166) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0039216 k( 167) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0039216 k( 168) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0039216 k( 169) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0039216 k( 170) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0039216 k( 171) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0039216 k( 172) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0039216 k( 173) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0039216 k( 174) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0039216 k( 175) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0039216 k( 176) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0039216 k( 177) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0039216 k( 178) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0039216 k( 179) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0039216 k( 180) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0039216 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 182) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0039216 k( 183) = ( 0.5000000 -0.0000000 0.4861111), wk = 0.0039216 k( 184) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0039216 k( 185) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0039216 k( 186) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0039216 k( 187) = ( 0.5000000 -0.0000000 0.4305556), wk = 0.0039216 k( 188) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0039216 k( 189) = ( 0.5000000 -0.0000000 0.4027778), wk = 0.0039216 k( 190) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0039216 k( 191) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0039216 k( 192) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0039216 k( 193) = ( 0.5000000 -0.0000000 0.3472222), wk = 0.0039216 k( 194) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0039216 k( 195) = ( 0.5000000 -0.0000000 0.3194444), wk = 0.0039216 k( 196) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0039216 k( 197) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0039216 k( 198) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0039216 k( 199) = ( 0.5000000 -0.0000000 0.2638889), wk = 0.0039216 k( 200) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0039216 k( 201) = ( 0.5000000 -0.0000000 0.2361111), wk = 0.0039216 k( 202) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0039216 k( 203) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0039216 k( 204) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0039216 k( 205) = ( 0.5000000 -0.0000000 0.1805556), wk = 0.0039216 k( 206) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0039216 k( 207) = ( 0.5000000 -0.0000000 0.1527778), wk = 0.0039216 k( 208) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0039216 k( 209) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0039216 k( 210) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0039216 k( 211) = ( 0.5000000 -0.0000000 0.0972222), wk = 0.0039216 k( 212) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0039216 k( 213) = ( 0.5000000 -0.0000000 0.0694444), wk = 0.0039216 k( 214) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0039216 k( 215) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0039216 k( 216) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0039216 k( 217) = ( 0.5000000 -0.0000000 0.0138889), wk = 0.0039216 k( 218) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0039216 k( 219) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0039216 k( 220) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0039216 k( 221) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0039216 k( 222) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0039216 k( 223) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0039216 k( 224) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0039216 k( 225) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0039216 k( 226) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0039216 k( 227) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0039216 k( 228) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0039216 k( 229) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0039216 k( 230) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0039216 k( 231) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0039216 k( 232) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0039216 k( 233) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0039216 k( 234) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0039216 k( 235) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0039216 k( 236) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0039216 k( 237) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0039216 k( 238) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0039216 k( 239) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0039216 k( 240) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0039216 k( 241) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0039216 k( 242) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0039216 k( 243) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039216 k( 244) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0039216 k( 245) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0039216 k( 246) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0039216 k( 247) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0039216 k( 248) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0039216 k( 249) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0039216 k( 250) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0039216 k( 251) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0039216 k( 252) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0039216 k( 253) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0039216 k( 254) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0039216 k( 255) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0039216 Dense grid: 80841 G-vectors FFT dimensions: ( 72, 72, 40) Smooth grid: 68281 G-vectors FFT dimensions: ( 64, 64, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 364, 58) NL pseudopotentials 0.73 Mb ( 182, 264) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1685) G-vector shells 0.01 Mb ( 825) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 364, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.47 Mb ( 264, 2, 58) The potential is recalculated from file : ./LaCl3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.5 secs Computing kpt #: 2 total cpu time spent up to now is 51.7 secs Computing kpt #: 3 total cpu time spent up to now is 57.1 secs Computing kpt #: 4 total cpu time spent up to now is 62.3 secs Computing kpt #: 5 total cpu time spent up to now is 67.4 secs Computing kpt #: 6 total cpu time spent up to now is 72.6 secs Computing kpt #: 7 total cpu time spent up to now is 78.4 secs Computing kpt #: 8 total cpu time spent up to now is 84.8 secs Computing kpt #: 9 total cpu time spent up to now is 92.4 secs Computing kpt #: 10 total cpu time spent up to now is 99.3 secs Computing kpt #: 11 total cpu time spent up to now is 106.7 secs Computing kpt #: 12 total cpu time spent up to now is 114.0 secs Computing kpt #: 13 total cpu time spent up to now is 121.5 secs Computing kpt #: 14 total cpu time spent up to now is 128.5 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.2 secs Computing kpt #: 16 total cpu time spent up to now is 143.1 secs Computing kpt #: 17 total cpu time spent up to now is 150.6 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.4 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.3 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.3 secs Computing kpt #: 21 total cpu time spent up to now is 180.5 secs Computing kpt #: 22 total cpu time spent up to now is 186.7 secs Computing kpt #: 23 total cpu time spent up to now is 192.9 secs Computing kpt #: 24 total cpu time spent up to now is 199.1 secs Computing kpt #: 25 total cpu time spent up to now is 205.2 secs Computing kpt #: 26 total cpu time spent up to now is 211.3 secs Computing kpt #: 27 total cpu time spent up to now is 217.3 secs Computing kpt #: 28 total cpu time spent up to now is 223.4 secs Computing kpt #: 29 total cpu time spent up to now is 228.9 secs Computing kpt #: 30 total cpu time spent up to now is 234.2 secs Computing kpt #: 31 total cpu time spent up to now is 239.5 secs Computing kpt #: 32 total cpu time spent up to now is 244.5 secs Computing kpt #: 33 total cpu time spent up to now is 249.4 secs Computing kpt #: 34 total cpu time spent up to now is 254.2 secs Computing kpt #: 35 total cpu time spent up to now is 259.2 secs Computing kpt #: 36 total cpu time spent up to now is 264.3 secs Computing kpt #: 37 total cpu time spent up to now is 269.5 secs Computing kpt #: 38 total cpu time spent up to now is 274.9 secs Computing kpt #: 39 total cpu time spent up to now is 280.3 secs Computing kpt #: 40 total cpu time spent up to now is 286.1 secs Computing kpt #: 41 total cpu time spent up to now is 292.9 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.8 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.5 secs Computing kpt #: 44 total cpu time spent up to now is 315.4 secs Computing kpt #: 45 total cpu time spent up to now is 321.9 secs Computing kpt #: 46 total cpu time spent up to now is 328.1 secs Computing kpt #: 47 total cpu time spent up to now is 334.0 secs Computing kpt #: 48 total cpu time spent up to now is 339.8 secs Computing kpt #: 49 total cpu time spent up to now is 345.8 secs Computing kpt #: 50 total cpu time spent up to now is 351.2 secs Computing kpt #: 51 total cpu time spent up to now is 356.6 secs Computing kpt #: 52 total cpu time spent up to now is 362.1 secs Computing kpt #: 53 total cpu time spent up to now is 367.6 secs Computing kpt #: 54 total cpu time spent up to now is 372.6 secs Computing kpt #: 55 total cpu time spent up to now is 378.0 secs Computing kpt #: 56 total cpu time spent up to now is 383.1 secs Computing kpt #: 57 total cpu time spent up to now is 388.6 secs Computing kpt #: 58 total cpu time spent up to now is 394.0 secs Computing kpt #: 59 total cpu time spent up to now is 399.8 secs Computing kpt #: 60 total cpu time spent up to now is 405.6 secs Computing kpt #: 61 total cpu time spent up to now is 411.5 secs Computing kpt #: 62 total cpu time spent up to now is 418.1 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.2 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.1 secs Computing kpt #: 65 total cpu time spent up to now is 440.7 secs Computing kpt #: 66 total cpu time spent up to now is 446.6 secs Computing kpt #: 67 total cpu time spent up to now is 452.0 secs Computing kpt #: 68 total cpu time spent up to now is 457.2 secs Computing kpt #: 69 total cpu time spent up to now is 462.3 secs Computing kpt #: 70 total cpu time spent up to now is 467.4 secs Computing kpt #: 71 total cpu time spent up to now is 472.6 secs Computing kpt #: 72 total cpu time spent up to now is 477.7 secs Computing kpt #: 73 total cpu time spent up to now is 482.9 secs Computing kpt #: 74 total cpu time spent up to now is 488.1 secs Computing kpt #: 75 total cpu time spent up to now is 493.3 secs Computing kpt #: 76 total cpu time spent up to now is 498.5 secs Computing kpt #: 77 total cpu time spent up to now is 503.7 secs Computing kpt #: 78 total cpu time spent up to now is 508.9 secs Computing kpt #: 79 total cpu time spent up to now is 513.9 secs Computing kpt #: 80 total cpu time spent up to now is 518.6 secs Computing kpt #: 81 total cpu time spent up to now is 523.3 secs Computing kpt #: 82 total cpu time spent up to now is 528.3 secs Computing kpt #: 83 total cpu time spent up to now is 533.0 secs Computing kpt #: 84 total cpu time spent up to now is 538.0 secs Computing kpt #: 85 total cpu time spent up to now is 542.8 secs Computing kpt #: 86 total cpu time spent up to now is 547.8 secs Computing kpt #: 87 total cpu time spent up to now is 552.8 secs Computing kpt #: 88 total cpu time spent up to now is 557.9 secs Computing kpt #: 89 total cpu time spent up to now is 562.9 secs Computing kpt #: 90 total cpu time spent up to now is 568.2 secs Computing kpt #: 91 total cpu time spent up to now is 573.3 secs Computing kpt #: 92 total cpu time spent up to now is 578.4 secs Computing kpt #: 93 total cpu time spent up to now is 584.1 secs Computing kpt #: 94 total cpu time spent up to now is 590.0 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.2 secs Computing kpt #: 96 total cpu time spent up to now is 604.2 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.3 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 628.1 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 636.2 secs Computing kpt #: 101 total cpu time spent up to now is 643.9 secs Computing kpt #: 102 total cpu time spent up to now is 651.6 secs Computing kpt #: 103 total cpu time spent up to now is 659.1 secs Computing kpt #: 104 total cpu time spent up to now is 666.6 secs Computing kpt #: 105 total cpu time spent up to now is 672.7 secs Computing kpt #: 106 total cpu time spent up to now is 678.8 secs Computing kpt #: 107 total cpu time spent up to now is 684.9 secs Computing kpt #: 108 total cpu time spent up to now is 691.2 secs Computing kpt #: 109 total cpu time spent up to now is 697.2 secs Computing kpt #: 110 total cpu time spent up to now is 703.3 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 711.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.4 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 736.8 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 745.1 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 753.4 secs Computing kpt #: 117 total cpu time spent up to now is 761.2 secs Computing kpt #: 118 total cpu time spent up to now is 769.3 secs Computing kpt #: 119 total cpu time spent up to now is 777.2 secs Computing kpt #: 120 total cpu time spent up to now is 783.9 secs Computing kpt #: 121 total cpu time spent up to now is 790.7 secs Computing kpt #: 122 total cpu time spent up to now is 797.5 secs Computing kpt #: 123 total cpu time spent up to now is 804.4 secs Computing kpt #: 124 total cpu time spent up to now is 811.3 secs Computing kpt #: 125 total cpu time spent up to now is 818.1 secs Computing kpt #: 126 total cpu time spent up to now is 825.3 secs Computing kpt #: 127 total cpu time spent up to now is 832.3 secs Computing kpt #: 128 total cpu time spent up to now is 839.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 847.4 secs Computing kpt #: 130 total cpu time spent up to now is 854.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 862.9 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.2 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 879.2 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 887.2 secs Computing kpt #: 135 total cpu time spent up to now is 892.4 secs Computing kpt #: 136 total cpu time spent up to now is 897.5 secs Computing kpt #: 137 total cpu time spent up to now is 905.1 secs Computing kpt #: 138 total cpu time spent up to now is 910.4 secs Computing kpt #: 139 total cpu time spent up to now is 916.3 secs Computing kpt #: 140 total cpu time spent up to now is 922.4 secs Computing kpt #: 141 total cpu time spent up to now is 927.6 secs Computing kpt #: 142 total cpu time spent up to now is 932.7 secs Computing kpt #: 143 total cpu time spent up to now is 937.9 secs Computing kpt #: 144 total cpu time spent up to now is 943.1 secs Computing kpt #: 145 total cpu time spent up to now is 948.1 secs Computing kpt #: 146 total cpu time spent up to now is 953.4 secs Computing kpt #: 147 total cpu time spent up to now is 958.4 secs Computing kpt #: 148 total cpu time spent up to now is 963.4 secs Computing kpt #: 149 total cpu time spent up to now is 968.6 secs Computing kpt #: 150 total cpu time spent up to now is 973.5 secs Computing kpt #: 151 total cpu time spent up to now is 978.8 secs Computing kpt #: 152 total cpu time spent up to now is 983.7 secs Computing kpt #: 153 total cpu time spent up to now is 988.7 secs Computing kpt #: 154 total cpu time spent up to now is 993.6 secs Computing kpt #: 155 total cpu time spent up to now is 998.5 secs Computing kpt #: 156 total cpu time spent up to now is 1003.5 secs Computing kpt #: 157 total cpu time spent up to now is 1008.6 secs Computing kpt #: 158 total cpu time spent up to now is 1013.7 secs Computing kpt #: 159 total cpu time spent up to now is 1019.0 secs Computing kpt #: 160 total cpu time spent up to now is 1024.2 secs Computing kpt #: 161 total cpu time spent up to now is 1029.3 secs Computing kpt #: 162 total cpu time spent up to now is 1034.4 secs Computing kpt #: 163 total cpu time spent up to now is 1039.5 secs Computing kpt #: 164 total cpu time spent up to now is 1045.0 secs Computing kpt #: 165 total cpu time spent up to now is 1050.2 secs Computing kpt #: 166 total cpu time spent up to now is 1055.5 secs Computing kpt #: 167 total cpu time spent up to now is 1060.7 secs Computing kpt #: 168 total cpu time spent up to now is 1065.9 secs Computing kpt #: 169 total cpu time spent up to now is 1071.1 secs Computing kpt #: 170 total cpu time spent up to now is 1076.3 secs Computing kpt #: 171 total cpu time spent up to now is 1082.1 secs Computing kpt #: 172 total cpu time spent up to now is 1088.1 secs Computing kpt #: 173 total cpu time spent up to now is 1094.5 secs Computing kpt #: 174 total cpu time spent up to now is 1102.6 secs Computing kpt #: 175 total cpu time spent up to now is 1110.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1119.0 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1127.5 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.8 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1144.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.5 secs Computing kpt #: 181 total cpu time spent up to now is 1158.7 secs Computing kpt #: 182 total cpu time spent up to now is 1164.0 secs Computing kpt #: 183 total cpu time spent up to now is 1169.4 secs Computing kpt #: 184 total cpu time spent up to now is 1174.7 secs Computing kpt #: 185 total cpu time spent up to now is 1179.7 secs Computing kpt #: 186 total cpu time spent up to now is 1184.7 secs Computing kpt #: 187 total cpu time spent up to now is 1189.7 secs Computing kpt #: 188 total cpu time spent up to now is 1194.8 secs Computing kpt #: 189 total cpu time spent up to now is 1200.1 secs Computing kpt #: 190 total cpu time spent up to now is 1205.5 secs Computing kpt #: 191 total cpu time spent up to now is 1210.7 secs Computing kpt #: 192 total cpu time spent up to now is 1216.1 secs Computing kpt #: 193 total cpu time spent up to now is 1221.8 secs Computing kpt #: 194 total cpu time spent up to now is 1228.1 secs Computing kpt #: 195 total cpu time spent up to now is 1234.0 secs Computing kpt #: 196 total cpu time spent up to now is 1239.9 secs Computing kpt #: 197 total cpu time spent up to now is 1245.7 secs Computing kpt #: 198 total cpu time spent up to now is 1251.2 secs Computing kpt #: 199 total cpu time spent up to now is 1257.0 secs Computing kpt #: 200 total cpu time spent up to now is 1263.0 secs Computing kpt #: 201 total cpu time spent up to now is 1268.9 secs Computing kpt #: 202 total cpu time spent up to now is 1274.8 secs Computing kpt #: 203 total cpu time spent up to now is 1281.0 secs Computing kpt #: 204 total cpu time spent up to now is 1286.9 secs Computing kpt #: 205 total cpu time spent up to now is 1292.7 secs Computing kpt #: 206 total cpu time spent up to now is 1298.5 secs Computing kpt #: 207 total cpu time spent up to now is 1304.2 secs Computing kpt #: 208 total cpu time spent up to now is 1310.1 secs Computing kpt #: 209 total cpu time spent up to now is 1315.8 secs Computing kpt #: 210 total cpu time spent up to now is 1321.9 secs Computing kpt #: 211 total cpu time spent up to now is 1327.7 secs Computing kpt #: 212 total cpu time spent up to now is 1334.1 secs Computing kpt #: 213 total cpu time spent up to now is 1340.9 secs Computing kpt #: 214 total cpu time spent up to now is 1348.3 secs Computing kpt #: 215 total cpu time spent up to now is 1356.2 secs Computing kpt #: 216 total cpu time spent up to now is 1362.7 secs Computing kpt #: 217 total cpu time spent up to now is 1369.1 secs Computing kpt #: 218 total cpu time spent up to now is 1375.0 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1382.8 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1390.8 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1398.6 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1406.4 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1414.3 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1422.3 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1430.2 secs Computing kpt #: 226 total cpu time spent up to now is 1436.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1443.5 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1451.3 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1459.3 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1467.1 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1475.0 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1482.9 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1490.9 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1498.9 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1506.8 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1514.9 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1522.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1530.9 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1539.0 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1547.0 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1555.0 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1562.8 secs Computing kpt #: 243 total cpu time spent up to now is 1570.4 secs Computing kpt #: 244 total cpu time spent up to now is 1577.8 secs Computing kpt #: 245 total cpu time spent up to now is 1583.9 secs Computing kpt #: 246 total cpu time spent up to now is 1589.8 secs Computing kpt #: 247 total cpu time spent up to now is 1595.7 secs Computing kpt #: 248 total cpu time spent up to now is 1601.5 secs Computing kpt #: 249 total cpu time spent up to now is 1607.2 secs Computing kpt #: 250 total cpu time spent up to now is 1612.6 secs Computing kpt #: 251 total cpu time spent up to now is 1617.6 secs Computing kpt #: 252 total cpu time spent up to now is 1622.9 secs Computing kpt #: 253 total cpu time spent up to now is 1628.1 secs Computing kpt #: 254 total cpu time spent up to now is 1633.1 secs Computing kpt #: 255 total cpu time spent up to now is 1638.2 secs ethr = 2.08E-11, avg # of iterations = 75.2 total cpu time spent up to now is 1638.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8527 PWs) bands (ev): -11.5897 -11.5897 -10.7772 -10.7772 -10.7682 -10.7682 -10.7582 -10.7582 -10.7457 -10.7457 -10.6616 -10.6616 -0.8339 -0.8339 -0.5765 -0.5765 -0.2184 -0.2184 -0.1789 -0.1789 0.2138 0.2138 0.2231 0.2231 0.2256 0.2256 0.6147 0.6147 0.6774 0.6774 0.6972 0.6972 0.7216 0.7216 0.8557 0.8557 1.4065 1.4065 1.4080 1.4080 1.6875 1.6875 1.9890 1.9890 2.1721 2.1721 2.2004 2.2004 6.5722 6.5722 6.7220 6.7220 6.8808 6.8808 7.5371 7.5371 7.6577 7.6577 k = 0.0200 0.0115-0.0000 ( 8547 PWs) bands (ev): -11.5891 -11.5891 -10.7806 -10.7806 -10.7704 -10.7704 -10.7557 -10.7557 -10.7446 -10.7446 -10.6603 -10.6603 -0.8341 -0.8341 -0.5763 -0.5763 -0.2184 -0.2184 -0.1790 -0.1790 0.2122 0.2122 0.2213 0.2213 0.2248 0.2248 0.6137 0.6137 0.6802 0.6802 0.6922 0.6922 0.7216 0.7216 0.8667 0.8667 1.4030 1.4030 1.4073 1.4073 1.6914 1.6914 1.9880 1.9880 2.1710 2.1710 2.1992 2.1992 6.5734 6.5734 6.7225 6.7225 6.8811 6.8811 7.5375 7.5375 7.6580 7.6580 k = 0.0400 0.0231-0.0000 ( 8531 PWs) bands (ev): -11.5875 -11.5875 -10.7884 -10.7884 -10.7759 -10.7759 -10.7510 -10.7510 -10.7414 -10.7414 -10.6567 -10.6567 -0.8346 -0.8346 -0.5758 -0.5758 -0.2184 -0.2184 -0.1793 -0.1793 0.2070 0.2070 0.2151 0.2151 0.2240 0.2240 0.6085 0.6085 0.6810 0.6810 0.6885 0.6885 0.7255 0.7255 0.8941 0.8941 1.3912 1.3912 1.4071 1.4071 1.7026 1.7026 1.9852 1.9852 2.1675 2.1675 2.1959 2.1959 6.5770 6.5770 6.7238 6.7238 6.8819 6.8819 7.5384 7.5384 7.6588 7.6588 k = 0.0600 0.0346-0.0000 ( 8535 PWs) bands (ev): -11.5847 -11.5847 -10.7987 -10.7987 -10.7826 -10.7826 -10.7473 -10.7473 -10.7365 -10.7365 -10.6513 -10.6513 -0.8354 -0.8354 -0.5750 -0.5750 -0.2188 -0.2188 -0.1794 -0.1794 0.1975 0.1975 0.2057 0.2057 0.2237 0.2237 0.5941 0.5941 0.6746 0.6746 0.7013 0.7013 0.7347 0.7347 0.9300 0.9300 1.3733 1.3733 1.4069 1.4069 1.7193 1.7193 1.9803 1.9803 2.1608 2.1608 2.1913 2.1913 6.5829 6.5829 6.7259 6.7259 6.8834 6.8834 7.5396 7.5396 7.6603 7.6603 k = 0.0800 0.0462-0.0000 ( 8547 PWs) bands (ev): -11.5809 -11.5809 -10.8110 -10.8110 -10.7896 -10.7896 -10.7451 -10.7451 -10.7301 -10.7301 -10.6448 -10.6448 -0.8365 -0.8365 -0.5742 -0.5742 -0.2197 -0.2197 -0.1788 -0.1788 0.1840 0.1840 0.1944 0.1944 0.2237 0.2237 0.5708 0.5708 0.6772 0.6772 0.7172 0.7172 0.7495 0.7495 0.9699 0.9699 1.3512 1.3512 1.4066 1.4066 1.7397 1.7397 1.9733 1.9733 2.1503 2.1503 2.1865 2.1865 6.5909 6.5909 6.7287 6.7287 6.8858 6.8858 7.5405 7.5405 7.6627 7.6627 k = 0.1000 0.0577-0.0000 ( 8549 PWs) bands (ev): -11.5760 -11.5760 -10.8250 -10.8250 -10.7965 -10.7965 -10.7439 -10.7439 -10.7228 -10.7228 -10.6377 -10.6377 -0.8378 -0.8378 -0.5736 -0.5736 -0.2216 -0.2216 -0.1770 -0.1770 0.1674 0.1674 0.1815 0.1815 0.2240 0.2240 0.5435 0.5435 0.6854 0.6854 0.7348 0.7348 0.7699 0.7699 1.0117 1.0117 1.3265 1.3265 1.4064 1.4064 1.7623 1.7623 1.9641 1.9641 2.1358 2.1358 2.1820 2.1820 6.6009 6.6009 6.7322 6.7322 6.8893 6.8893 7.5403 7.5403 7.6664 7.6664 k = 0.1200 0.0693-0.0000 ( 8537 PWs) bands (ev): -11.5701 -11.5701 -10.8404 -10.8404 -10.8030 -10.8030 -10.7432 -10.7432 -10.7152 -10.7152 -10.6305 -10.6305 -0.8392 -0.8392 -0.5734 -0.5734 -0.2246 -0.2246 -0.1736 -0.1736 0.1489 0.1489 0.1674 0.1674 0.2243 0.2243 0.5156 0.5156 0.6967 0.6967 0.7533 0.7533 0.7954 0.7954 1.0539 1.0539 1.3004 1.3004 1.4063 1.4063 1.7861 1.7861 1.9524 1.9524 2.1178 2.1178 2.1777 2.1777 6.6126 6.6126 6.7362 6.7362 6.8941 6.8941 7.5384 7.5384 7.6716 7.6716 k = 0.1400 0.0808-0.0000 ( 8547 PWs) bands (ev): -11.5631 -11.5631 -10.8569 -10.8569 -10.8093 -10.8093 -10.7429 -10.7429 -10.7075 -10.7075 -10.6233 -10.6233 -0.8406 -0.8406 -0.5740 -0.5740 -0.2285 -0.2285 -0.1684 -0.1684 0.1293 0.1293 0.1524 0.1524 0.2248 0.2248 0.4887 0.4887 0.7097 0.7097 0.7727 0.7727 0.8250 0.8250 1.0954 1.0954 1.2742 1.2742 1.4064 1.4064 1.8101 1.8101 1.9381 1.9381 2.0969 2.0969 2.1736 2.1736 6.6255 6.6255 6.7406 6.7406 6.9008 6.9008 7.5337 7.5338 7.6782 7.6782 k = 0.1600 0.0924-0.0000 ( 8541 PWs) bands (ev): -11.5551 -11.5551 -10.8744 -10.8744 -10.8152 -10.8152 -10.7427 -10.7427 -10.6997 -10.6997 -10.6164 -10.6164 -0.8421 -0.8421 -0.5756 -0.5756 -0.2331 -0.2331 -0.1615 -0.1615 0.1092 0.1092 0.1369 0.1369 0.2254 0.2254 0.4638 0.4638 0.7239 0.7239 0.7929 0.7929 0.8577 0.8577 1.1339 1.1339 1.2499 1.2499 1.4070 1.4070 1.8336 1.8336 1.9210 1.9210 2.0739 2.0739 2.1696 2.1696 6.6392 6.6392 6.7455 6.7455 6.9096 6.9096 7.5261 7.5261 7.6832 7.6832 k = 0.1800 0.1039-0.0000 ( 8557 PWs) bands (ev): -11.5462 -11.5462 -10.8926 -10.8926 -10.8209 -10.8209 -10.7427 -10.7427 -10.6919 -10.6919 -10.6100 -10.6100 -0.8434 -0.8434 -0.5784 -0.5784 -0.2378 -0.2378 -0.1533 -0.1533 0.0891 0.0891 0.1212 0.1212 0.2260 0.2260 0.4413 0.4413 0.7387 0.7387 0.8139 0.8139 0.8926 0.8926 1.1622 1.1622 1.2347 1.2347 1.4083 1.4083 1.8553 1.8553 1.9016 1.9016 2.0494 2.0494 2.1658 2.1658 6.6530 6.6530 6.7510 6.7510 6.9209 6.9209 7.5151 7.5151 7.6737 7.6737 k = 0.2000 0.1155-0.0000 ( 8549 PWs) bands (ev): -11.5363 -11.5363 -10.9114 -10.9114 -10.8262 -10.8262 -10.7428 -10.7428 -10.6842 -10.6842 -10.6041 -10.6041 -0.8447 -0.8447 -0.5826 -0.5826 -0.2424 -0.2424 -0.1440 -0.1440 0.0693 0.0693 0.1056 0.1056 0.2267 0.2267 0.4218 0.4218 0.7539 0.7539 0.8352 0.8352 0.9292 0.9292 1.1629 1.1629 1.2453 1.2453 1.4108 1.4108 1.8657 1.8657 1.8889 1.8889 2.0240 2.0240 2.1624 2.1624 6.6661 6.6661 6.7576 6.7576 6.9347 6.9347 7.5011 7.5011 7.6504 7.6504 k = 0.2200 0.1270-0.0000 ( 8557 PWs) bands (ev): -11.5256 -11.5256 -10.9308 -10.9308 -10.8312 -10.8312 -10.7429 -10.7429 -10.6765 -10.6765 -10.5987 -10.5987 -0.8457 -0.8457 -0.5884 -0.5884 -0.2464 -0.2464 -0.1340 -0.1340 0.0500 0.0500 0.0903 0.0903 0.2275 0.2275 0.4055 0.4055 0.7693 0.7693 0.8566 0.8566 0.9671 0.9671 1.1436 1.1436 1.2732 1.2732 1.4156 1.4156 1.8447 1.8447 1.9026 1.9026 1.9982 1.9982 2.1594 2.1594 6.6774 6.6774 6.7659 6.7659 6.9512 6.9512 7.4844 7.4844 7.6243 7.6243 k = 0.2400 0.1386-0.0000 ( 8562 PWs) bands (ev): -11.5140 -11.5140 -10.9506 -10.9506 -10.8360 -10.8360 -10.7431 -10.7431 -10.6689 -10.6689 -10.5939 -10.5939 -0.8464 -0.8464 -0.5957 -0.5957 -0.2496 -0.2496 -0.1237 -0.1237 0.0315 0.0315 0.0754 0.0754 0.2282 0.2282 0.3926 0.3926 0.7847 0.7847 0.8777 0.8777 1.0059 1.0059 1.1198 1.1198 1.3019 1.3019 1.4239 1.4239 1.8151 1.8151 1.9195 1.9195 1.9723 1.9723 2.1570 2.1570 6.6861 6.6861 6.7767 6.7767 6.9701 6.9701 7.4655 7.4655 7.5979 7.5979 k = 0.2600 0.1501-0.0000 ( 8566 PWs) bands (ev): -11.5017 -11.5017 -10.9706 -10.9706 -10.8404 -10.8404 -10.7434 -10.7434 -10.6615 -10.6615 -10.5898 -10.5898 -0.8468 -0.8468 -0.6045 -0.6045 -0.2518 -0.2518 -0.1137 -0.1137 0.0140 0.0140 0.0613 0.0613 0.2290 0.2290 0.3835 0.3835 0.7996 0.7996 0.8984 0.8984 1.0454 1.0454 1.0956 1.0956 1.3253 1.3253 1.4377 1.4377 1.7822 1.7822 1.9317 1.9317 1.9493 1.9493 2.1555 2.1555 6.6918 6.6918 6.7901 6.7901 6.9911 6.9911 7.4449 7.4449 7.5720 7.5720 k = 0.2800 0.1617-0.0000 ( 8566 PWs) bands (ev): -11.4886 -11.4886 -10.9909 -10.9909 -10.8445 -10.8445 -10.7436 -10.7436 -10.6542 -10.6542 -10.5862 -10.5862 -0.8467 -0.8467 -0.6147 -0.6147 -0.2529 -0.2529 -0.1045 -0.1045 -0.0025 -0.0025 0.0480 0.0480 0.2298 0.2298 0.3782 0.3782 0.8138 0.8138 0.9182 0.9182 1.0709 1.0709 1.0866 1.0866 1.3418 1.3418 1.4576 1.4576 1.7472 1.7472 1.9159 1.9159 1.9516 1.9516 2.1550 2.1550 6.6948 6.6948 6.8060 6.8060 7.0135 7.0135 7.4232 7.4232 7.5471 7.5471 k = 0.3000 0.1732-0.0000 ( 8560 PWs) bands (ev): -11.4750 -11.4750 -11.0112 -11.0112 -10.8482 -10.8482 -10.7438 -10.7438 -10.6471 -10.6471 -10.5834 -10.5834 -0.8462 -0.8462 -0.6259 -0.6259 -0.2527 -0.2527 -0.0965 -0.0965 -0.0178 -0.0178 0.0356 0.0356 0.2306 0.2306 0.3767 0.3767 0.8266 0.8266 0.9369 0.9369 1.0501 1.0501 1.1261 1.1261 1.3522 1.3522 1.4820 1.4820 1.7109 1.7109 1.8895 1.8895 1.9613 1.9613 2.1557 2.1557 6.6956 6.6956 6.8239 6.8239 7.0367 7.0367 7.4011 7.4011 7.5234 7.5234 k = 0.3200 0.1848-0.0000 ( 8566 PWs) bands (ev): -11.4609 -11.4609 -11.0314 -11.0314 -10.8516 -10.8516 -10.7441 -10.7441 -10.6403 -10.6403 -10.5811 -10.5811 -0.8452 -0.8452 -0.6380 -0.6380 -0.2515 -0.2515 -0.0902 -0.0902 -0.0318 -0.0318 0.0243 0.0243 0.2314 0.2314 0.3792 0.3792 0.8374 0.8374 0.9540 0.9540 1.0313 1.0313 1.1663 1.1663 1.3587 1.3587 1.5083 1.5083 1.6743 1.6743 1.8619 1.8619 1.9687 1.9687 2.1576 2.1576 6.6949 6.6949 6.8432 6.8432 7.0596 7.0596 7.3793 7.3793 7.5013 7.5013 k = 0.3400 0.1963-0.0000 ( 8562 PWs) bands (ev): -11.4464 -11.4464 -11.0514 -11.0514 -10.8547 -10.8547 -10.7443 -10.7443 -10.6338 -10.6338 -10.5795 -10.5795 -0.8437 -0.8437 -0.6505 -0.6505 -0.2493 -0.2493 -0.0857 -0.0857 -0.0444 -0.0444 0.0142 0.0142 0.2322 0.2322 0.3852 0.3852 0.8451 0.8451 0.9690 0.9690 1.0166 1.0166 1.2062 1.2062 1.3634 1.3634 1.5334 1.5334 1.6391 1.6391 1.8336 1.8336 1.9736 1.9736 2.1605 2.1605 6.6932 6.6932 6.8633 6.8633 7.0811 7.0811 7.3585 7.3585 7.4810 7.4810 k = 0.3600 0.2078-0.0000 ( 8554 PWs) bands (ev): -11.4318 -11.4318 -11.0709 -11.0709 -10.8574 -10.8574 -10.7446 -10.7446 -10.6276 -10.6276 -10.5784 -10.5784 -0.8417 -0.8417 -0.6632 -0.6632 -0.2462 -0.2462 -0.0832 -0.0832 -0.0554 -0.0554 0.0052 0.0052 0.2329 0.2329 0.3943 0.3943 0.8487 0.8487 0.9803 0.9803 1.0086 1.0086 1.2455 1.2455 1.3674 1.3674 1.5520 1.5520 1.6100 1.6100 1.8048 1.8048 1.9760 1.9760 2.1643 2.1643 6.6910 6.6910 6.8840 6.8840 7.0998 7.0998 7.3398 7.3398 7.4627 7.4627 k = 0.3800 0.2194-0.0000 ( 8550 PWs) bands (ev): -11.4173 -11.4173 -11.0897 -11.0897 -10.8598 -10.8598 -10.7448 -10.7448 -10.6217 -10.6217 -10.5780 -10.5780 -0.8391 -0.8391 -0.6757 -0.6757 -0.2426 -0.2426 -0.0827 -0.0827 -0.0649 -0.0649 -0.0026 -0.0026 0.2336 0.2336 0.4058 0.4058 0.8476 0.8476 0.9857 0.9857 1.0100 1.0100 1.2834 1.2834 1.3720 1.3720 1.5466 1.5466 1.6042 1.6042 1.7757 1.7757 1.9763 1.9763 2.1685 2.1685 6.6885 6.6885 6.9049 6.9049 7.1141 7.1141 7.3240 7.3240 7.4463 7.4463 k = 0.4000 0.2309-0.0000 ( 8540 PWs) bands (ev): -11.4032 -11.4032 -11.1074 -11.1074 -10.8618 -10.8618 -10.7450 -10.7450 -10.6163 -10.6163 -10.5780 -10.5780 -0.8362 -0.8362 -0.6876 -0.6876 -0.2386 -0.2386 -0.0839 -0.0839 -0.0724 -0.0724 -0.0092 -0.0092 0.2342 0.2342 0.4189 0.4189 0.8421 0.8421 0.9882 0.9882 1.0172 1.0172 1.3186 1.3186 1.3788 1.3788 1.5208 1.5208 1.6176 1.6176 1.7471 1.7471 1.9751 1.9751 2.1728 2.1728 6.6861 6.6861 6.9257 6.9257 7.1227 7.1227 7.3123 7.3123 7.4317 7.4317 k = 0.4200 0.2425-0.0000 ( 8536 PWs) bands (ev): -11.3900 -11.3900 -11.1236 -11.1236 -10.8634 -10.8634 -10.7451 -10.7451 -10.6114 -10.6114 -10.5786 -10.5786 -0.8331 -0.8331 -0.6984 -0.6984 -0.2347 -0.2347 -0.0866 -0.0866 -0.0780 -0.0780 -0.0145 -0.0145 0.2347 0.2347 0.4323 0.4323 0.8338 0.8338 0.9917 0.9917 1.0250 1.0250 1.3471 1.3471 1.3912 1.3912 1.4930 1.4930 1.6311 1.6311 1.7203 1.7203 1.9729 1.9729 2.1769 2.1769 6.6838 6.6838 6.9458 6.9458 7.1248 7.1248 7.3048 7.3048 7.4191 7.4191 k = 0.4400 0.2540-0.0000 ( 8538 PWs) bands (ev): -11.3783 -11.3783 -11.1376 -11.1376 -10.8647 -10.8647 -10.7453 -10.7453 -10.6071 -10.6071 -10.5794 -10.5794 -0.8300 -0.8300 -0.7078 -0.7078 -0.2311 -0.2311 -0.0898 -0.0898 -0.0818 -0.0818 -0.0187 -0.0187 0.2351 0.2351 0.4448 0.4448 0.8247 0.8247 0.9961 0.9961 1.0314 1.0314 1.3652 1.3652 1.4123 1.4123 1.4681 1.4681 1.6370 1.6370 1.6996 1.6996 1.9704 1.9704 2.1804 2.1804 6.6819 6.6819 6.9646 6.9646 7.1214 7.1214 7.3011 7.3011 7.4088 7.4088 k = 0.4600 0.2656-0.0000 ( 8534 PWs) bands (ev): -11.3690 -11.3690 -11.1487 -11.1487 -10.8656 -10.8656 -10.7454 -10.7454 -10.6036 -10.6036 -10.5805 -10.5805 -0.8273 -0.8273 -0.7150 -0.7150 -0.2282 -0.2282 -0.0927 -0.0927 -0.0844 -0.0844 -0.0217 -0.0217 0.2354 0.2354 0.4550 0.4550 0.8165 0.8165 1.0003 1.0003 1.0361 1.0361 1.3772 1.3772 1.4287 1.4287 1.4550 1.4550 1.6297 1.6297 1.6908 1.6908 1.9681 1.9681 2.1830 2.1830 6.6805 6.6805 6.9808 6.9808 7.1147 7.1147 7.2996 7.2996 7.4012 7.4012 k = 0.4800 0.2771-0.0000 ( 8538 PWs) bands (ev): -11.3628 -11.3628 -11.1558 -11.1558 -10.8662 -10.8662 -10.7454 -10.7454 -10.6012 -10.6012 -10.5814 -10.5814 -0.8255 -0.8255 -0.7197 -0.7197 -0.2263 -0.2263 -0.0945 -0.0945 -0.0861 -0.0861 -0.0235 -0.0235 0.2355 0.2355 0.4618 0.4618 0.8110 0.8110 1.0033 1.0033 1.0389 1.0389 1.3884 1.3884 1.4183 1.4183 1.4681 1.4681 1.6157 1.6157 1.6904 1.6904 1.9664 1.9664 2.1846 2.1846 6.6796 6.6796 6.9925 6.9925 7.1082 7.1082 7.2993 7.2993 7.3966 7.3966 k = 0.5000 0.2887-0.0000 ( 8532 PWs) bands (ev): -11.3607 -11.3607 -11.1583 -11.1583 -10.8663 -10.8663 -10.7454 -10.7454 -10.6003 -10.6003 -10.5817 -10.5817 -0.8248 -0.8248 -0.7213 -0.7213 -0.2257 -0.2257 -0.0951 -0.0951 -0.0867 -0.0867 -0.0241 -0.0241 0.2356 0.2356 0.4642 0.4642 0.8090 0.8090 1.0044 1.0044 1.0399 1.0399 1.3976 1.3976 1.4071 1.4071 1.4762 1.4762 1.6088 1.6088 1.6910 1.6910 1.9659 1.9659 2.1852 2.1852 6.6793 6.6793 6.9968 6.9968 7.1054 7.1054 7.2993 7.2993 7.3951 7.3951 k = 0.5000 0.2887-0.0000 ( 8532 PWs) bands (ev): -11.3607 -11.3607 -11.1583 -11.1583 -10.8663 -10.8663 -10.7454 -10.7454 -10.6003 -10.6003 -10.5817 -10.5817 -0.8248 -0.8248 -0.7213 -0.7213 -0.2257 -0.2257 -0.0951 -0.0951 -0.0867 -0.0867 -0.0241 -0.0241 0.2356 0.2356 0.4642 0.4642 0.8090 0.8090 1.0044 1.0044 1.0399 1.0399 1.3976 1.3976 1.4071 1.4071 1.4762 1.4762 1.6088 1.6088 1.6910 1.6910 1.9659 1.9659 2.1852 2.1852 6.6793 6.6793 6.9968 6.9968 7.1054 7.1054 7.2993 7.2993 7.3951 7.3951 k = 0.4889 0.3079-0.0000 ( 8530 PWs) bands (ev): -11.3602 -11.3602 -11.1586 -11.1586 -10.8678 -10.8678 -10.7440 -10.7440 -10.6005 -10.6005 -10.5818 -10.5818 -0.8242 -0.8242 -0.7214 -0.7214 -0.2349 -0.2349 -0.0982 -0.0982 -0.0757 -0.0757 -0.0217 -0.0217 0.2347 0.2347 0.4649 0.4649 0.8087 0.8087 1.0036 1.0036 1.0415 1.0415 1.3811 1.3811 1.4197 1.4197 1.4756 1.4756 1.6092 1.6092 1.6928 1.6928 1.9670 1.9670 2.1846 2.1846 6.6806 6.6806 6.9938 6.9938 7.1090 7.1090 7.2959 7.2959 7.3782 7.3782 k = 0.4778 0.3272-0.0000 ( 8530 PWs) bands (ev): -11.3586 -11.3586 -11.1594 -11.1594 -10.8721 -10.8721 -10.7398 -10.7398 -10.6011 -10.6011 -10.5819 -10.5819 -0.8226 -0.8226 -0.7218 -0.7218 -0.2574 -0.2574 -0.1035 -0.1035 -0.0520 -0.0520 -0.0145 -0.0145 0.2320 0.2320 0.4671 0.4671 0.8079 0.8079 1.0012 1.0012 1.0462 1.0462 1.3570 1.3570 1.4323 1.4323 1.4740 1.4740 1.6100 1.6100 1.6980 1.6980 1.9705 1.9705 2.1829 2.1829 6.6844 6.6844 6.9860 6.9860 7.1180 7.1180 7.2849 7.2849 7.3621 7.3621 k = 0.4667 0.3464-0.0000 ( 8532 PWs) bands (ev): -11.3560 -11.3560 -11.1607 -11.1607 -10.8784 -10.8784 -10.7335 -10.7335 -10.6021 -10.6021 -10.5822 -10.5822 -0.8198 -0.8198 -0.7225 -0.7225 -0.2857 -0.2857 -0.1102 -0.1102 -0.0259 -0.0259 -0.0002 -0.0002 0.2275 0.2275 0.4707 0.4707 0.8065 0.8065 0.9974 0.9974 1.0539 1.0539 1.3295 1.3295 1.4417 1.4417 1.4715 1.4715 1.6103 1.6103 1.7068 1.7068 1.9760 1.9760 2.1801 2.1801 6.6907 6.6907 6.9759 6.9759 7.1288 7.1288 7.2667 7.2667 7.3559 7.3559 k = 0.4556 0.3657-0.0000 ( 8532 PWs) bands (ev): -11.3524 -11.3524 -11.1627 -11.1627 -10.8862 -10.8862 -10.7257 -10.7257 -10.6034 -10.6034 -10.5825 -10.5825 -0.8160 -0.8160 -0.7233 -0.7233 -0.3160 -0.3160 -0.1177 -0.1177 -0.0080 -0.0080 0.0272 0.0272 0.2215 0.2215 0.4754 0.4754 0.8045 0.8045 0.9924 0.9924 1.0642 1.0642 1.2995 1.2995 1.4481 1.4481 1.4683 1.4683 1.6095 1.6095 1.7186 1.7186 1.9834 1.9834 2.1762 2.1762 6.6994 6.6994 6.9651 6.9651 7.1378 7.1378 7.2444 7.2444 7.3592 7.3592 k = 0.4444 0.3849-0.0000 ( 8538 PWs) bands (ev): -11.3478 -11.3478 -11.1654 -11.1654 -10.8948 -10.8948 -10.7170 -10.7170 -10.6051 -10.6051 -10.5830 -10.5830 -0.8112 -0.8112 -0.7243 -0.7243 -0.3466 -0.3466 -0.1255 -0.1255 0.0047 0.0047 0.0624 0.0624 0.2142 0.2142 0.4809 0.4809 0.8023 0.8023 0.9865 0.9865 1.0770 1.0770 1.2677 1.2677 1.4523 1.4523 1.4648 1.4648 1.6071 1.6071 1.7328 1.7328 1.9923 1.9923 2.1712 2.1712 6.7105 6.7105 6.9548 6.9548 7.1419 7.1419 7.2213 7.2213 7.3715 7.3715 k = 0.4333 0.4041-0.0000 ( 8534 PWs) bands (ev): -11.3422 -11.3422 -11.1689 -11.1689 -10.9037 -10.9037 -10.7078 -10.7078 -10.6071 -10.6071 -10.5836 -10.5836 -0.8055 -0.8055 -0.7253 -0.7253 -0.3766 -0.3766 -0.1332 -0.1332 0.0164 0.0164 0.0999 0.0999 0.2058 0.2058 0.4867 0.4867 0.7999 0.7999 0.9798 0.9798 1.0916 1.0916 1.2345 1.2345 1.4544 1.4544 1.4616 1.4616 1.6032 1.6032 1.7485 1.7485 2.0023 2.0023 2.1653 2.1653 6.7236 6.7236 6.9454 6.9454 7.1395 7.1395 7.1989 7.1989 7.3923 7.3923 k = 0.4222 0.4234-0.0000 ( 8518 PWs) bands (ev): -11.3356 -11.3356 -11.1733 -11.1733 -10.9124 -10.9124 -10.6984 -10.6984 -10.6095 -10.6095 -10.5843 -10.5843 -0.7990 -0.7990 -0.7263 -0.7263 -0.4055 -0.4055 -0.1405 -0.1405 0.0278 0.0278 0.1379 0.1379 0.1968 0.1968 0.4922 0.4922 0.7977 0.7977 0.9728 0.9728 1.1077 1.1077 1.2007 1.2007 1.4537 1.4537 1.4600 1.4600 1.5976 1.5976 1.7648 1.7648 2.0131 2.0131 2.1583 2.1583 6.7386 6.7386 6.9372 6.9372 7.1311 7.1311 7.1781 7.1781 7.4207 7.4207 k = 0.4111 0.4426-0.0000 ( 8522 PWs) bands (ev): -11.3280 -11.3280 -11.1787 -11.1787 -10.9206 -10.9206 -10.6891 -10.6891 -10.6121 -10.6121 -10.5852 -10.5852 -0.7921 -0.7921 -0.7272 -0.7272 -0.4329 -0.4329 -0.1473 -0.1473 0.0391 0.0391 0.1725 0.1725 0.1905 0.1905 0.4965 0.4965 0.7966 0.7966 0.9654 0.9654 1.1245 1.1245 1.1670 1.1670 1.4510 1.4510 1.4602 1.4602 1.5906 1.5906 1.7812 1.7812 2.0244 2.0244 2.1506 2.1506 6.7551 6.7551 6.9304 6.9304 7.1184 7.1184 7.1587 7.1587 7.4551 7.4551 k = 0.4000 0.4619-0.0000 ( 8546 PWs) bands (ev): -11.3195 -11.3195 -11.1853 -11.1853 -10.9280 -10.9280 -10.6799 -10.6799 -10.6150 -10.6150 -10.5861 -10.5861 -0.7847 -0.7847 -0.7279 -0.7279 -0.4583 -0.4583 -0.1535 -0.1535 0.0502 0.0502 0.1731 0.1731 0.2174 0.2174 0.4986 0.4986 0.7972 0.7972 0.9579 0.9579 1.1311 1.1311 1.1443 1.1443 1.4480 1.4480 1.4610 1.4610 1.5822 1.5822 1.7969 1.7969 2.0356 2.0356 2.1421 2.1421 6.7726 6.7726 6.9250 6.9250 7.1033 7.1033 7.1403 7.1403 7.4942 7.4942 k = 0.3889 0.4811-0.0000 ( 8540 PWs) bands (ev): -11.3102 -11.3102 -11.1930 -11.1930 -10.9344 -10.9344 -10.6712 -10.6712 -10.6181 -10.6181 -10.5871 -10.5871 -0.7774 -0.7774 -0.7285 -0.7285 -0.4814 -0.4814 -0.1589 -0.1589 0.0611 0.0611 0.1630 0.1630 0.2539 0.2539 0.4972 0.4972 0.8008 0.8008 0.9500 0.9500 1.1006 1.1006 1.1594 1.1594 1.4456 1.4456 1.4623 1.4623 1.5724 1.5724 1.8116 1.8116 2.0466 2.0466 2.1331 2.1331 6.7905 6.7905 6.9211 6.9211 7.0874 7.0874 7.1230 7.1230 7.5363 7.5363 k = 0.3778 0.5004-0.0000 ( 8528 PWs) bands (ev): -11.2999 -11.2999 -11.2019 -11.2019 -10.9397 -10.9397 -10.6629 -10.6629 -10.6215 -10.6215 -10.5881 -10.5881 -0.7703 -0.7703 -0.7289 -0.7289 -0.5015 -0.5015 -0.1634 -0.1634 0.0718 0.0718 0.1523 0.1523 0.2899 0.2899 0.4915 0.4915 0.8080 0.8080 0.9413 0.9413 1.0712 1.0712 1.1747 1.1747 1.4439 1.4439 1.4649 1.4649 1.5612 1.5612 1.8248 1.8248 2.0570 2.0570 2.1239 2.1239 6.8079 6.8079 6.9189 6.9189 7.0717 7.0717 7.1073 7.1073 7.5803 7.5803 k = 0.3667 0.5196-0.0000 ( 8530 PWs) bands (ev): -11.2889 -11.2889 -11.2120 -11.2120 -10.9439 -10.9439 -10.6553 -10.6553 -10.6251 -10.6251 -10.5891 -10.5891 -0.7639 -0.7639 -0.7292 -0.7292 -0.5182 -0.5182 -0.1671 -0.1671 0.0822 0.0822 0.1416 0.1416 0.3242 0.3242 0.4810 0.4810 0.8193 0.8193 0.9312 0.9312 1.0455 1.0455 1.1876 1.1876 1.4429 1.4429 1.4694 1.4694 1.5487 1.5487 1.8359 1.8359 2.0666 2.0666 2.1148 2.1148 6.8235 6.8235 6.9188 6.9188 7.0566 7.0566 7.0941 7.0941 7.6247 7.6247 k = 0.3556 0.5389-0.0000 ( 8542 PWs) bands (ev): -11.2772 -11.2772 -11.2231 -11.2231 -10.9468 -10.9468 -10.6486 -10.6486 -10.6288 -10.6288 -10.5899 -10.5899 -0.7585 -0.7585 -0.7298 -0.7298 -0.5307 -0.5307 -0.1697 -0.1697 0.0922 0.0922 0.1312 0.1312 0.3564 0.3564 0.4658 0.4658 0.8342 0.8342 0.9188 0.9188 1.0255 1.0255 1.1975 1.1975 1.4425 1.4425 1.4769 1.4769 1.5349 1.5349 1.8446 1.8446 2.0748 2.0748 2.1065 2.1065 6.8356 6.8356 6.9205 6.9205 7.0434 7.0434 7.0843 7.0843 7.6679 7.6679 k = 0.3444 0.5581-0.0000 ( 8556 PWs) bands (ev): -11.2651 -11.2651 -11.2348 -11.2348 -10.9484 -10.9484 -10.6430 -10.6430 -10.6324 -10.6324 -10.5906 -10.5906 -0.7546 -0.7546 -0.7305 -0.7305 -0.5384 -0.5384 -0.1714 -0.1714 0.1016 0.1016 0.1215 0.1215 0.3848 0.3848 0.4474 0.4474 0.8503 0.8503 0.9050 0.9050 1.0128 1.0128 1.2035 1.2035 1.4424 1.4424 1.4879 1.4879 1.5198 1.5198 1.8502 1.8502 2.0811 2.0811 2.0999 2.0999 6.8430 6.8430 6.9232 6.9232 7.0339 7.0339 7.0782 7.0782 7.7074 7.7074 k = 0.3333 0.5774-0.0000 ( 8544 PWs) bands (ev): -11.2569 -11.2569 -11.2430 -11.2430 -10.9490 -10.9490 -10.6400 -10.6400 -10.6347 -10.6347 -10.5908 -10.5908 -0.7530 -0.7530 -0.7311 -0.7311 -0.5410 -0.5410 -0.1719 -0.1719 0.1082 0.1082 0.1148 0.1148 0.4009 0.4009 0.4346 0.4346 0.8594 0.8594 0.8969 0.8969 1.0084 1.0084 1.2056 1.2056 1.4425 1.4425 1.5004 1.5004 1.5059 1.5059 1.8521 1.8521 2.0836 2.0836 2.0973 2.0973 6.8454 6.8454 6.9246 6.9246 7.0304 7.0304 7.0761 7.0761 7.7346 7.7346 k = 0.3333 0.5774-0.0000 ( 8544 PWs) bands (ev): -11.2569 -11.2569 -11.2430 -11.2430 -10.9490 -10.9490 -10.6400 -10.6400 -10.6347 -10.6347 -10.5908 -10.5908 -0.7530 -0.7530 -0.7311 -0.7311 -0.5410 -0.5410 -0.1719 -0.1719 0.1082 0.1082 0.1148 0.1148 0.4009 0.4009 0.4346 0.4346 0.8594 0.8594 0.8969 0.8969 1.0084 1.0084 1.2056 1.2056 1.4425 1.4425 1.5004 1.5004 1.5059 1.5059 1.8521 1.8521 2.0836 2.0836 2.0973 2.0973 6.8454 6.8454 6.9246 6.9246 7.0304 7.0304 7.0761 7.0761 7.7346 7.7346 k = 0.3218 0.5574-0.0000 ( 8556 PWs) bands (ev): -11.2663 -11.2663 -11.2336 -11.2336 -10.9484 -10.9484 -10.6426 -10.6426 -10.6328 -10.6328 -10.5905 -10.5905 -0.7550 -0.7550 -0.7301 -0.7301 -0.5384 -0.5384 -0.1713 -0.1713 0.1019 0.1019 0.1213 0.1213 0.3840 0.3840 0.4481 0.4481 0.8499 0.8499 0.9048 0.9048 1.0136 1.0136 1.2035 1.2035 1.4422 1.4422 1.4852 1.4852 1.5227 1.5227 1.8499 1.8499 2.0821 2.0821 2.0990 2.0990 6.8431 6.8431 6.9229 6.9229 7.0339 7.0339 7.0785 7.0785 7.7103 7.7103 k = 0.3103 0.5375-0.0000 ( 8542 PWs) bands (ev): -11.2810 -11.2810 -11.2190 -11.2190 -10.9468 -10.9468 -10.6469 -10.6469 -10.6309 -10.6309 -10.5895 -10.5895 -0.7606 -0.7606 -0.7271 -0.7271 -0.5309 -0.5309 -0.1695 -0.1695 0.0940 0.0940 0.1297 0.1297 0.3545 0.3545 0.4672 0.4672 0.8334 0.8334 0.9161 0.9161 1.0296 1.0296 1.1976 1.1976 1.4399 1.4399 1.4687 1.4687 1.5452 1.5452 1.8430 1.8430 2.0805 2.0805 2.1015 2.1015 6.8365 6.8365 6.9187 6.9187 7.0423 7.0423 7.0860 7.0860 7.6796 7.6796 k = 0.2989 0.5176-0.0000 ( 8534 PWs) bands (ev): -11.2969 -11.2969 -11.2031 -11.2031 -10.9443 -10.9443 -10.6516 -10.6516 -10.6302 -10.6302 -10.5880 -10.5880 -0.7684 -0.7684 -0.7226 -0.7226 -0.5194 -0.5194 -0.1664 -0.1664 0.0868 0.0868 0.1379 0.1379 0.3216 0.3216 0.4828 0.4828 0.8181 0.8181 0.9236 0.9236 1.0556 1.0556 1.1885 1.1885 1.4294 1.4294 1.4598 1.4598 1.5703 1.5703 1.8316 1.8316 2.0805 2.0805 2.1031 2.1031 6.8267 6.8267 6.9138 6.9138 7.0525 7.0525 7.0985 7.0985 7.6486 7.6486 k = 0.2874 0.4977-0.0000 ( 8544 PWs) bands (ev): -11.3133 -11.3133 -11.1866 -11.1866 -10.9410 -10.9410 -10.6564 -10.6564 -10.6307 -10.6307 -10.5860 -10.5860 -0.7774 -0.7774 -0.7170 -0.7170 -0.5048 -0.5048 -0.1620 -0.1620 0.0807 0.0807 0.1456 0.1456 0.2869 0.2869 0.4929 0.4929 0.8067 0.8067 0.9276 0.9276 1.0882 1.0882 1.1765 1.1765 1.4095 1.4095 1.4598 1.4598 1.5972 1.5972 1.8159 1.8159 2.0820 2.0820 2.1032 2.1032 6.8146 6.8146 6.9090 6.9090 7.0627 7.0627 7.1150 7.1150 7.6185 7.6185 k = 0.2759 0.4778-0.0000 ( 8544 PWs) bands (ev): -11.3300 -11.3300 -11.1694 -11.1694 -10.9369 -10.9369 -10.6612 -10.6612 -10.6322 -10.6322 -10.5839 -10.5839 -0.7868 -0.7868 -0.7104 -0.7104 -0.4878 -0.4878 -0.1563 -0.1563 0.0756 0.0756 0.1528 0.1528 0.2514 0.2514 0.4969 0.4969 0.8005 0.8005 0.9298 0.9298 1.1243 1.1243 1.1624 1.1624 1.3855 1.3855 1.4643 1.4643 1.6252 1.6252 1.7965 1.7965 2.0846 2.0846 2.1021 2.1021 6.8013 6.8013 6.9046 6.9046 7.0722 7.0722 7.1340 7.1340 7.5906 7.5906 k = 0.2644 0.4579-0.0000 ( 8544 PWs) bands (ev): -11.3469 -11.3469 -11.1517 -11.1517 -10.9322 -10.9322 -10.6662 -10.6662 -10.6344 -10.6344 -10.5819 -10.5819 -0.7959 -0.7959 -0.7031 -0.7031 -0.4691 -0.4691 -0.1493 -0.1493 0.0717 0.0717 0.1593 0.1593 0.2157 0.2157 0.4950 0.4950 0.7993 0.7993 0.9316 0.9316 1.1448 1.1448 1.1629 1.1629 1.3592 1.3592 1.4717 1.4717 1.6536 1.6536 1.7744 1.7744 2.0871 2.0871 2.1004 2.1004 6.7877 6.7877 6.9002 6.9002 7.0801 7.0801 7.1548 7.1548 7.5662 7.5662 k = 0.2529 0.4380-0.0000 ( 8534 PWs) bands (ev): -11.3638 -11.3638 -11.1336 -11.1336 -10.9269 -10.9269 -10.6712 -10.6712 -10.6373 -10.6373 -10.5802 -10.5802 -0.8046 -0.8046 -0.6949 -0.6949 -0.4492 -0.4492 -0.1410 -0.1410 0.0689 0.0689 0.1636 0.1636 0.1819 0.1819 0.4880 0.4880 0.8021 0.8021 0.9339 0.9339 1.1274 1.1274 1.1989 1.1989 1.3312 1.3312 1.4825 1.4825 1.6808 1.6808 1.7510 1.7510 2.0867 2.0867 2.1006 2.1006 6.7746 6.7746 6.8955 6.8955 7.0851 7.0851 7.1774 7.1774 7.5462 7.5462 k = 0.2414 0.4181-0.0000 ( 8532 PWs) bands (ev): -11.3807 -11.3807 -11.1151 -11.1151 -10.9211 -10.9211 -10.6762 -10.6762 -10.6406 -10.6406 -10.5789 -10.5789 -0.8125 -0.8125 -0.6860 -0.6860 -0.4284 -0.4284 -0.1313 -0.1313 0.0672 0.0672 0.1420 0.1420 0.1741 0.1741 0.4774 0.4774 0.8071 0.8071 0.9379 0.9379 1.1080 1.1080 1.2326 1.2326 1.3020 1.3020 1.4973 1.4973 1.6976 1.6976 1.7360 1.7360 2.0817 2.0817 2.1040 2.1040 6.7622 6.7622 6.8901 6.8901 7.0856 7.0856 7.2022 7.2022 7.5313 7.5313 k = 0.2299 0.3982-0.0000 ( 8538 PWs) bands (ev): -11.3974 -11.3974 -11.0962 -11.0962 -10.9150 -10.9150 -10.6811 -10.6811 -10.6443 -10.6443 -10.5780 -10.5780 -0.8196 -0.8196 -0.6764 -0.6764 -0.4073 -0.4073 -0.1204 -0.1204 0.0663 0.0663 0.1087 0.1087 0.1788 0.1788 0.4648 0.4648 0.8122 0.8122 0.9444 0.9444 1.0871 1.0871 1.2595 1.2595 1.2741 1.2741 1.5164 1.5164 1.6817 1.6817 1.7517 1.7517 2.0738 2.0738 2.1088 2.1088 6.7508 6.7508 6.8837 6.8837 7.0811 7.0811 7.2296 7.2296 7.5217 7.5217 k = 0.2184 0.3783-0.0000 ( 8538 PWs) bands (ev): -11.4138 -11.4138 -11.0771 -11.0771 -10.9084 -10.9084 -10.6860 -10.6860 -10.6483 -10.6483 -10.5777 -10.5777 -0.8258 -0.8258 -0.6664 -0.6664 -0.3861 -0.3861 -0.1083 -0.1083 0.0627 0.0627 0.0800 0.0800 0.1836 0.1836 0.4514 0.4514 0.8158 0.8158 0.9544 0.9544 1.0652 1.0652 1.2378 1.2378 1.2885 1.2885 1.5395 1.5395 1.6543 1.6543 1.7783 1.7783 2.0637 2.0637 2.1141 2.1141 6.7406 6.7406 6.8760 6.8760 7.0715 7.0715 7.2599 7.2599 7.5169 7.5169 k = 0.2069 0.3584-0.0000 ( 8542 PWs) bands (ev): -11.4299 -11.4299 -11.0578 -11.0578 -10.9015 -10.9015 -10.6909 -10.6909 -10.6526 -10.6526 -10.5780 -10.5780 -0.8310 -0.8310 -0.6559 -0.6559 -0.3653 -0.3653 -0.0950 -0.0950 0.0393 0.0393 0.0737 0.0737 0.1882 0.1882 0.4384 0.4384 0.8166 0.8166 0.9681 0.9681 1.0423 1.0423 1.2052 1.2052 1.3072 1.3072 1.5619 1.5619 1.6294 1.6294 1.8061 1.8061 2.0520 2.0520 2.1196 2.1196 6.7314 6.7314 6.8670 6.8670 7.0578 7.0578 7.2927 7.2927 7.5158 7.5158 k = 0.1954 0.3384-0.0000 ( 8542 PWs) bands (ev): -11.4455 -11.4455 -11.0384 -11.0384 -10.8944 -10.8944 -10.6957 -10.6957 -10.6571 -10.6571 -10.5790 -10.5790 -0.8353 -0.8353 -0.6452 -0.6452 -0.3451 -0.3451 -0.0809 -0.0809 0.0103 0.0103 0.0762 0.0762 0.1925 0.1925 0.4267 0.4267 0.8145 0.8145 0.9852 0.9852 1.0188 1.0188 1.1717 1.1717 1.3210 1.3210 1.5623 1.5623 1.6290 1.6290 1.8336 1.8336 2.0387 2.0387 2.1250 2.1250 6.7231 6.7231 6.8563 6.8563 7.0412 7.0412 7.3280 7.3280 7.5174 7.5174 k = 0.1839 0.3185-0.0000 ( 8552 PWs) bands (ev): -11.4606 -11.4606 -11.0190 -11.0190 -10.8870 -10.8870 -10.7003 -10.7003 -10.6619 -10.6619 -10.5806 -10.5806 -0.8388 -0.8388 -0.6345 -0.6345 -0.3259 -0.3259 -0.0668 -0.0668 -0.0162 -0.0162 0.0808 0.0808 0.1964 0.1964 0.4171 0.4171 0.8097 0.8097 0.9931 0.9931 1.0063 1.0063 1.1376 1.1376 1.3300 1.3300 1.5363 1.5363 1.6571 1.6571 1.8603 1.8603 2.0241 2.0241 2.1303 2.1303 6.7156 6.7156 6.8442 6.8442 7.0231 7.0231 7.3653 7.3653 7.5206 7.5206 k = 0.1724 0.2986-0.0000 ( 8538 PWs) bands (ev): -11.4751 -11.4751 -10.9995 -10.9995 -10.8795 -10.8795 -10.7048 -10.7048 -10.6669 -10.6669 -10.5828 -10.5828 -0.8413 -0.8413 -0.6240 -0.6240 -0.3081 -0.3081 -0.0603 -0.0603 -0.0320 -0.0320 0.0866 0.0866 0.1999 0.1999 0.4103 0.4103 0.8027 0.8027 0.9689 0.9689 1.0265 1.0265 1.1041 1.1041 1.3344 1.3344 1.5043 1.5043 1.6927 1.6927 1.8859 1.8859 2.0089 2.0089 2.1354 2.1354 6.7085 6.7085 6.8308 6.8308 7.0045 7.0045 7.4039 7.4039 7.5248 7.5248 k = 0.1609 0.2787-0.0000 ( 8538 PWs) bands (ev): -11.4889 -11.4889 -10.9802 -10.9802 -10.8718 -10.8718 -10.7092 -10.7092 -10.6721 -10.6721 -10.5858 -10.5858 -0.8431 -0.8431 -0.6139 -0.6139 -0.2919 -0.2919 -0.0754 -0.0754 -0.0228 -0.0228 0.0937 0.0937 0.2032 0.2032 0.4068 0.4068 0.7938 0.7938 0.9437 0.9437 1.0411 1.0411 1.0780 1.0780 1.3334 1.3334 1.4731 1.4731 1.7296 1.7296 1.9093 1.9093 1.9941 1.9941 2.1405 2.1405 6.7015 6.7015 6.8164 6.8164 6.9864 6.9864 7.4430 7.4430 7.5299 7.5299 k = 0.1494 0.2588-0.0000 ( 8554 PWs) bands (ev): -11.5021 -11.5021 -10.9609 -10.9609 -10.8640 -10.8640 -10.7134 -10.7134 -10.6775 -10.6775 -10.5893 -10.5893 -0.8441 -0.8441 -0.6046 -0.6046 -0.2775 -0.2775 -0.0953 -0.0953 -0.0053 -0.0053 0.1019 0.1019 0.2062 0.2062 0.4070 0.4070 0.7835 0.7835 0.9184 0.9184 1.0223 1.0223 1.0861 1.0861 1.3254 1.3254 1.4462 1.4462 1.7655 1.7655 1.9265 1.9265 1.9840 1.9840 2.1455 2.1455 6.6940 6.6940 6.8019 6.8019 6.9693 6.9693 7.4806 7.4806 7.5374 7.5374 k = 0.1379 0.2389-0.0000 ( 8554 PWs) bands (ev): -11.5145 -11.5145 -10.9420 -10.9420 -10.8560 -10.8560 -10.7174 -10.7174 -10.6830 -10.6830 -10.5936 -10.5936 -0.8446 -0.8446 -0.5962 -0.5962 -0.2650 -0.2650 -0.1136 -0.1136 0.0143 0.0143 0.1111 0.1111 0.2088 0.2088 0.4112 0.4112 0.7721 0.7721 0.8930 0.8930 0.9891 0.9891 1.1088 1.1088 1.3083 1.3083 1.4270 1.4270 1.7989 1.7989 1.9285 1.9285 1.9884 1.9884 2.1503 2.1503 6.6855 6.6855 6.7878 6.7878 6.9535 6.9535 7.5100 7.5100 7.5531 7.5531 k = 0.1264 0.2190-0.0000 ( 8560 PWs) bands (ev): -11.5260 -11.5260 -10.9233 -10.9233 -10.8480 -10.8480 -10.7212 -10.7212 -10.6888 -10.6888 -10.5984 -10.5984 -0.8444 -0.8444 -0.5891 -0.5891 -0.2544 -0.2544 -0.1296 -0.1296 0.0349 0.0349 0.1211 0.1211 0.2112 0.2112 0.4195 0.4195 0.7599 0.7599 0.8678 0.8678 0.9542 0.9542 1.1320 1.1320 1.2835 1.2835 1.4158 1.4158 1.8276 1.8276 1.9176 1.9176 2.0063 2.0063 2.1551 2.1551 6.6756 6.6756 6.7751 6.7751 6.9393 6.9393 7.5244 7.5244 7.5835 7.5835 k = 0.1149 0.1991-0.0000 ( 8558 PWs) bands (ev): -11.5367 -11.5367 -10.9050 -10.9050 -10.8399 -10.8399 -10.7247 -10.7247 -10.6946 -10.6946 -10.6039 -10.6039 -0.8439 -0.8439 -0.5833 -0.5833 -0.2456 -0.2456 -0.1431 -0.1431 0.0563 0.0563 0.1319 0.1319 0.2134 0.2134 0.4320 0.4320 0.7471 0.7471 0.8432 0.8432 0.9194 0.9194 1.1503 1.1503 1.2578 1.2578 1.4101 1.4101 1.8466 1.8466 1.9071 1.9071 2.0288 2.0288 2.1597 2.1597 6.6642 6.6642 6.7642 6.7642 6.9268 6.9268 7.5310 7.5310 7.6204 7.6204 k = 0.1034 0.1792-0.0000 ( 8554 PWs) bands (ev): -11.5465 -11.5465 -10.8871 -10.8871 -10.8318 -10.8318 -10.7281 -10.7281 -10.7007 -10.7007 -10.6099 -10.6099 -0.8430 -0.8430 -0.5789 -0.5789 -0.2384 -0.2384 -0.1541 -0.1541 0.0782 0.0782 0.1432 0.1432 0.2153 0.2153 0.4484 0.4484 0.7339 0.7339 0.8193 0.8193 0.8854 0.8854 1.1520 1.1520 1.2452 1.2452 1.4074 1.4074 1.8463 1.8463 1.9101 1.9101 2.0525 2.0525 2.1643 2.1643 6.6516 6.6516 6.7551 6.7551 6.9160 6.9160 7.5352 7.5352 7.6560 7.6560 k = 0.0920 0.1593-0.0000 ( 8546 PWs) bands (ev): -11.5554 -11.5554 -10.8699 -10.8699 -10.8237 -10.8237 -10.7312 -10.7312 -10.7068 -10.7068 -10.6165 -10.6165 -0.8418 -0.8418 -0.5759 -0.5759 -0.2324 -0.2324 -0.1629 -0.1629 0.1003 0.1003 0.1549 0.1549 0.2171 0.2171 0.4685 0.4685 0.7208 0.7208 0.7963 0.7963 0.8525 0.8525 1.1290 1.1290 1.2551 1.2551 1.4063 1.4063 1.8301 1.8301 1.9240 1.9240 2.0759 2.0759 2.1688 2.1688 6.6382 6.6382 6.7477 6.7477 6.9069 6.9069 7.5382 7.5382 7.6723 7.6723 k = 0.0805 0.1394-0.0000 ( 8554 PWs) bands (ev): -11.5633 -11.5633 -10.8534 -10.8534 -10.8156 -10.8156 -10.7342 -10.7342 -10.7131 -10.7131 -10.6234 -10.6234 -0.8405 -0.8405 -0.5742 -0.5742 -0.2277 -0.2277 -0.1696 -0.1696 0.1222 0.1222 0.1666 0.1666 0.2186 0.2186 0.4918 0.4918 0.7078 0.7078 0.7746 0.7746 0.8215 0.8215 1.0929 1.0929 1.2767 1.2767 1.4060 1.4060 1.8085 1.8085 1.9393 1.9393 2.0982 2.0982 2.1732 2.1732 6.6248 6.6248 6.7416 6.7416 6.8994 6.8994 7.5402 7.5402 7.6712 7.6712 k = 0.0690 0.1195-0.0000 ( 8548 PWs) bands (ev): -11.5702 -11.5702 -10.8377 -10.8377 -10.8074 -10.8074 -10.7370 -10.7370 -10.7194 -10.7194 -10.6306 -10.6306 -0.8391 -0.8391 -0.5735 -0.5735 -0.2240 -0.2240 -0.1743 -0.1743 0.1435 0.1435 0.1781 0.1781 0.2199 0.2199 0.5175 0.5175 0.6956 0.6956 0.7541 0.7541 0.7932 0.7932 1.0524 1.0524 1.3018 1.3018 1.4061 1.4061 1.7852 1.7852 1.9530 1.9530 2.1186 2.1186 2.1775 2.1775 6.6121 6.6121 6.7366 6.7366 6.8935 6.8935 7.5413 7.5413 7.6683 7.6683 k = 0.0575 0.0995-0.0000 ( 8538 PWs) bands (ev): -11.5761 -11.5761 -10.8232 -10.8232 -10.7992 -10.7992 -10.7398 -10.7398 -10.7257 -10.7257 -10.6379 -10.6379 -0.8377 -0.8377 -0.5736 -0.5736 -0.2213 -0.2213 -0.1774 -0.1774 0.1635 0.1635 0.1890 0.1890 0.2210 0.2210 0.5447 0.5447 0.6849 0.6849 0.7350 0.7350 0.7686 0.7686 1.0106 1.0106 1.3274 1.3274 1.4063 1.4063 1.7617 1.7617 1.9644 1.9644 2.1363 2.1363 2.1820 2.1820 6.6006 6.6006 6.7323 6.7323 6.8890 6.8890 7.5414 7.5414 7.6651 7.6651 k = 0.0460 0.0796-0.0000 ( 8529 PWs) bands (ev): -11.5810 -11.5810 -10.8099 -10.8099 -10.7911 -10.7911 -10.7428 -10.7428 -10.7318 -10.7318 -10.6449 -10.6449 -0.8365 -0.8365 -0.5742 -0.5742 -0.2196 -0.2196 -0.1790 -0.1790 0.1816 0.1816 0.1990 0.1990 0.2220 0.2220 0.5715 0.5715 0.6770 0.6770 0.7171 0.7171 0.7489 0.7489 0.9692 0.9692 1.3518 1.3518 1.4066 1.4066 1.7393 1.7393 1.9735 1.9735 2.1506 2.1506 2.1866 2.1866 6.5907 6.5907 6.7287 6.7287 6.8857 6.8857 7.5408 7.5408 7.6623 7.6623 k = 0.0345 0.0597-0.0000 ( 8533 PWs) bands (ev): -11.5848 -11.5848 -10.7982 -10.7982 -10.7832 -10.7832 -10.7463 -10.7463 -10.7373 -10.7373 -10.6514 -10.6514 -0.8354 -0.8354 -0.5750 -0.5750 -0.2188 -0.2188 -0.1794 -0.1794 0.1965 0.1965 0.2079 0.2079 0.2229 0.2229 0.5945 0.5945 0.6746 0.6746 0.7011 0.7011 0.7345 0.7345 0.9295 0.9295 1.3736 1.3736 1.4069 1.4069 1.7190 1.7190 1.9804 1.9804 2.1610 2.1610 2.1914 2.1914 6.5828 6.5828 6.7258 6.7258 6.8834 6.8834 7.5396 7.5396 7.6602 7.6602 k = 0.0230 0.0398-0.0000 ( 8529 PWs) bands (ev): -11.5875 -11.5875 -10.7883 -10.7883 -10.7759 -10.7759 -10.7508 -10.7508 -10.7416 -10.7416 -10.6568 -10.6568 -0.8346 -0.8346 -0.5758 -0.5758 -0.2184 -0.2184 -0.1793 -0.1793 0.2069 0.2069 0.2156 0.2156 0.2238 0.2238 0.6086 0.6086 0.6810 0.6810 0.6884 0.6884 0.7254 0.7254 0.8938 0.8938 1.3913 1.3913 1.4071 1.4071 1.7024 1.7024 1.9852 1.9852 2.1676 2.1676 2.1959 2.1959 6.5769 6.5769 6.7238 6.7238 6.8819 6.8819 7.5384 7.5384 7.6588 7.6588 k = 0.0115 0.0199-0.0000 ( 8547 PWs) bands (ev): -11.5891 -11.5891 -10.7806 -10.7806 -10.7704 -10.7704 -10.7557 -10.7557 -10.7446 -10.7446 -10.6604 -10.6604 -0.8341 -0.8341 -0.5763 -0.5763 -0.2184 -0.2184 -0.1790 -0.1790 0.2122 0.2122 0.2213 0.2213 0.2248 0.2248 0.6137 0.6137 0.6802 0.6802 0.6922 0.6922 0.7216 0.7216 0.8666 0.8666 1.4030 1.4030 1.4073 1.4073 1.6914 1.6914 1.9880 1.9880 2.1711 2.1711 2.1992 2.1992 6.5734 6.5734 6.7225 6.7225 6.8811 6.8811 7.5375 7.5375 7.6580 7.6580 k = 0.0000 0.0000 0.0000 ( 8527 PWs) bands (ev): -11.5897 -11.5897 -10.7772 -10.7772 -10.7682 -10.7682 -10.7582 -10.7582 -10.7457 -10.7457 -10.6616 -10.6616 -0.8339 -0.8339 -0.5765 -0.5765 -0.2184 -0.2184 -0.1789 -0.1789 0.2138 0.2138 0.2231 0.2231 0.2256 0.2256 0.6147 0.6147 0.6774 0.6774 0.6972 0.6972 0.7216 0.7216 0.8557 0.8557 1.4065 1.4065 1.4080 1.4080 1.6875 1.6875 1.9890 1.9890 2.1721 2.1721 2.2004 2.2004 6.5722 6.5722 6.7220 6.7220 6.8808 6.8808 7.5371 7.5371 7.6577 7.6577 k = 0.0000 0.0000 0.0000 ( 8527 PWs) bands (ev): -11.5897 -11.5897 -10.7772 -10.7772 -10.7682 -10.7682 -10.7582 -10.7582 -10.7457 -10.7457 -10.6616 -10.6616 -0.8339 -0.8339 -0.5765 -0.5765 -0.2184 -0.2184 -0.1789 -0.1789 0.2138 0.2138 0.2231 0.2231 0.2256 0.2256 0.6147 0.6147 0.6774 0.6774 0.6972 0.6972 0.7216 0.7216 0.8557 0.8557 1.4065 1.4065 1.4080 1.4080 1.6875 1.6875 1.9890 1.9890 2.1721 2.1721 2.2004 2.2004 6.5722 6.5722 6.7220 6.7220 6.8808 6.8808 7.5371 7.5371 7.6577 7.6577 k = 0.0000 0.0000 0.0237 ( 8527 PWs) bands (ev): -11.5890 -11.5890 -10.7773 -10.7773 -10.7683 -10.7683 -10.7583 -10.7583 -10.7459 -10.7459 -10.6617 -10.6617 -0.8336 -0.8336 -0.5751 -0.5751 -0.2184 -0.2184 -0.1789 -0.1789 0.2067 0.2067 0.2152 0.2152 0.2261 0.2261 0.6203 0.6203 0.6768 0.6768 0.7048 0.7048 0.7241 0.7241 0.8559 0.8559 1.4069 1.4069 1.4083 1.4083 1.6873 1.6873 1.9872 1.9872 2.1702 2.1702 2.1994 2.1994 6.5732 6.5732 6.7220 6.7220 6.8805 6.8805 7.5362 7.5362 7.6537 7.6537 k = 0.0000 0.0000 0.0475 ( 8539 PWs) bands (ev): -11.5868 -11.5868 -10.7776 -10.7776 -10.7686 -10.7686 -10.7587 -10.7587 -10.7463 -10.7463 -10.6619 -10.6619 -0.8327 -0.8327 -0.5708 -0.5708 -0.2182 -0.2182 -0.1789 -0.1789 0.1868 0.1868 0.1932 0.1932 0.2276 0.2276 0.6339 0.6339 0.6749 0.6749 0.7263 0.7263 0.7331 0.7331 0.8565 0.8565 1.4081 1.4081 1.4092 1.4092 1.6868 1.6868 1.9817 1.9817 2.1645 2.1645 2.1962 2.1962 6.5762 6.5762 6.7218 6.7218 6.8793 6.8793 7.5337 7.5337 7.6433 7.6433 k = 0.0000 0.0000 0.0712 ( 8533 PWs) bands (ev): -11.5833 -11.5833 -10.7781 -10.7781 -10.7691 -10.7691 -10.7592 -10.7592 -10.7469 -10.7469 -10.6622 -10.6622 -0.8312 -0.8312 -0.5637 -0.5637 -0.2180 -0.2180 -0.1789 -0.1789 0.1571 0.1571 0.1610 0.1610 0.2302 0.2302 0.6479 0.6479 0.6717 0.6717 0.7522 0.7522 0.7584 0.7584 0.8575 0.8575 1.4100 1.4100 1.4106 1.4106 1.6859 1.6859 1.9725 1.9725 2.1552 2.1552 2.1911 2.1911 6.5812 6.5812 6.7215 6.7215 6.8776 6.8776 7.5303 7.5303 7.6299 7.6299 k = 0.0000 0.0000 0.0950 ( 8539 PWs) bands (ev): -11.5784 -11.5784 -10.7789 -10.7789 -10.7697 -10.7697 -10.7600 -10.7600 -10.7478 -10.7478 -10.6626 -10.6626 -0.8291 -0.8291 -0.5538 -0.5538 -0.2178 -0.2178 -0.1789 -0.1789 0.1207 0.1207 0.1226 0.1226 0.2338 0.2338 0.6565 0.6565 0.6675 0.6675 0.7833 0.7833 0.7976 0.7976 0.8593 0.8593 1.4125 1.4125 1.4126 1.4126 1.6846 1.6846 1.9594 1.9594 2.1426 2.1426 2.1839 2.1839 6.5881 6.5881 6.7213 6.7213 6.8753 6.8753 7.5266 7.5266 7.6163 7.6163 k = 0.0000 0.0000 0.1187 ( 8539 PWs) bands (ev): -11.5721 -11.5721 -10.7797 -10.7797 -10.7705 -10.7705 -10.7610 -10.7610 -10.7489 -10.7489 -10.6633 -10.6633 -0.8264 -0.8264 -0.5411 -0.5411 -0.2176 -0.2176 -0.1791 -0.1791 0.0802 0.0802 0.0806 0.0806 0.2385 0.2385 0.6596 0.6596 0.6624 0.6624 0.8238 0.8238 0.8375 0.8375 0.8653 0.8653 1.4151 1.4151 1.4157 1.4157 1.6829 1.6829 1.9424 1.9424 2.1273 2.1273 2.1747 2.1747 6.5970 6.5970 6.7214 6.7214 6.8727 6.8727 7.5236 7.5236 7.6042 7.6042 k = 0.0000 0.0000 0.1425 ( 8551 PWs) bands (ev): -11.5644 -11.5644 -10.7808 -10.7808 -10.7716 -10.7716 -10.7621 -10.7621 -10.7503 -10.7503 -10.6641 -10.6641 -0.8230 -0.8230 -0.5257 -0.5257 -0.2175 -0.2175 -0.1794 -0.1794 0.0370 0.0370 0.0376 0.0376 0.2443 0.2443 0.6564 0.6564 0.6591 0.6591 0.8546 0.8546 0.8697 0.8697 0.8972 0.8972 1.4180 1.4180 1.4195 1.4195 1.6808 1.6808 1.9211 1.9211 2.1098 2.1098 2.1638 2.1638 6.6077 6.6077 6.7218 6.7218 6.8701 6.8701 7.5220 7.5220 7.5947 7.5947 k = 0.0000 0.0000 0.1662 ( 8527 PWs) bands (ev): -11.5554 -11.5554 -10.7821 -10.7821 -10.7727 -10.7727 -10.7635 -10.7635 -10.7519 -10.7519 -10.6651 -10.6651 -0.8190 -0.8190 -0.5078 -0.5078 -0.2175 -0.2175 -0.1800 -0.1800 -0.0070 -0.0070 -0.0060 -0.0060 0.2513 0.2513 0.6499 0.6499 0.6567 0.6567 0.8578 0.8578 0.9184 0.9184 0.9444 0.9444 1.4215 1.4215 1.4238 1.4238 1.6782 1.6782 1.8958 1.8958 2.0907 2.0907 2.1511 2.1511 6.6203 6.6203 6.7229 6.7229 6.8677 6.8677 7.5223 7.5223 7.5882 7.5882 k = 0.0000 0.0000 0.1899 ( 8515 PWs) bands (ev): -11.5451 -11.5451 -10.7835 -10.7835 -10.7741 -10.7741 -10.7650 -10.7650 -10.7537 -10.7537 -10.6664 -10.6664 -0.8143 -0.8143 -0.4873 -0.4873 -0.2177 -0.2177 -0.1810 -0.1810 -0.0505 -0.0505 -0.0496 -0.0496 0.2593 0.2593 0.6429 0.6429 0.6531 0.6531 0.8593 0.8593 0.9681 0.9681 0.9935 0.9935 1.4254 1.4254 1.4285 1.4285 1.6751 1.6751 1.8662 1.8662 2.0703 2.0703 2.1367 2.1367 6.6347 6.6347 6.7249 6.7249 6.8659 6.8659 7.5252 7.5252 7.5853 7.5853 k = 0.0000 0.0000 0.2137 ( 8515 PWs) bands (ev): -11.5336 -11.5336 -10.7850 -10.7850 -10.7755 -10.7755 -10.7668 -10.7668 -10.7557 -10.7557 -10.6680 -10.6680 -0.8089 -0.8089 -0.4644 -0.4644 -0.2182 -0.2182 -0.1827 -0.1827 -0.0927 -0.0927 -0.0926 -0.0926 0.2685 0.2685 0.6358 0.6358 0.6489 0.6489 0.8602 0.8602 1.0176 1.0176 1.0422 1.0422 1.4297 1.4297 1.4336 1.4336 1.6714 1.6714 1.8328 1.8328 2.0492 2.0492 2.1209 2.1209 6.6508 6.6508 6.7282 6.7282 6.8649 6.8649 7.5309 7.5309 7.5860 7.5860 k = 0.0000 0.0000 0.2374 ( 8515 PWs) bands (ev): -11.5208 -11.5208 -10.7867 -10.7867 -10.7772 -10.7772 -10.7686 -10.7686 -10.7579 -10.7579 -10.6699 -10.6699 -0.8028 -0.8028 -0.4393 -0.4393 -0.2191 -0.2191 -0.1862 -0.1862 -0.1346 -0.1346 -0.1322 -0.1322 0.2789 0.2789 0.6287 0.6287 0.6444 0.6444 0.8605 0.8605 1.0660 1.0660 1.0897 1.0897 1.4344 1.4344 1.4391 1.4391 1.6672 1.6672 1.7959 1.7959 2.0278 2.0278 2.1038 2.1038 6.6686 6.6686 6.7328 6.7328 6.8651 6.8651 7.5397 7.5397 7.5906 7.5906 k = 0.0000 0.0000 0.2612 ( 8515 PWs) bands (ev): -11.5068 -11.5068 -10.7885 -10.7885 -10.7789 -10.7789 -10.7707 -10.7707 -10.7603 -10.7603 -10.6721 -10.6721 -0.7959 -0.7959 -0.4120 -0.4120 -0.2205 -0.2205 -0.1962 -0.1962 -0.1753 -0.1753 -0.1641 -0.1641 0.2904 0.2904 0.6220 0.6220 0.6400 0.6400 0.8601 0.8601 1.1126 1.1126 1.1351 1.1351 1.4396 1.4396 1.4450 1.4450 1.6623 1.6623 1.7560 1.7560 2.0062 2.0062 2.0857 2.0857 6.6881 6.6881 6.7393 6.7393 6.8669 6.8669 7.5518 7.5518 7.5989 7.5989 k = 0.0000 0.0000 0.2849 ( 8527 PWs) bands (ev): -11.4917 -11.4917 -10.7904 -10.7904 -10.7808 -10.7808 -10.7728 -10.7728 -10.7628 -10.7628 -10.6748 -10.6748 -0.7882 -0.7882 -0.3828 -0.3828 -0.2228 -0.2228 -0.2225 -0.2225 -0.2143 -0.2143 -0.1782 -0.1782 0.3031 0.3031 0.6157 0.6157 0.6358 0.6358 0.8588 0.8588 1.1567 1.1567 1.1777 1.1777 1.4453 1.4453 1.4511 1.4511 1.6567 1.6567 1.7139 1.7139 1.9849 1.9849 2.0668 2.0668 6.7091 6.7091 6.7478 6.7478 6.8706 6.8706 7.5671 7.5671 7.6111 7.6111 k = 0.0000 0.0000 0.3086 ( 8539 PWs) bands (ev): -11.4755 -11.4755 -10.7924 -10.7924 -10.7827 -10.7827 -10.7751 -10.7751 -10.7654 -10.7654 -10.6780 -10.6780 -0.7796 -0.7796 -0.3519 -0.3519 -0.2563 -0.2563 -0.2515 -0.2515 -0.2253 -0.2253 -0.1841 -0.1841 0.3169 0.3169 0.6103 0.6103 0.6321 0.6321 0.8563 0.8563 1.1978 1.1978 1.2168 1.2168 1.4515 1.4515 1.4576 1.4576 1.6504 1.6504 1.6703 1.6703 1.9640 1.9640 2.0474 2.0474 6.7317 6.7317 6.7586 6.7586 6.8764 6.8764 7.5857 7.5857 7.6270 7.6270 k = 0.0000 0.0000 0.3324 ( 8539 PWs) bands (ev): -11.4583 -11.4583 -10.7944 -10.7944 -10.7848 -10.7848 -10.7774 -10.7774 -10.7682 -10.7682 -10.6817 -10.6817 -0.7701 -0.7701 -0.3196 -0.3196 -0.2896 -0.2896 -0.2864 -0.2864 -0.2289 -0.2289 -0.1888 -0.1888 0.3317 0.3317 0.6058 0.6058 0.6292 0.6292 0.8523 0.8523 1.2351 1.2351 1.2515 1.2515 1.4581 1.4581 1.4644 1.4644 1.6261 1.6261 1.6433 1.6433 1.9440 1.9440 2.0279 2.0279 6.7558 6.7558 6.7720 6.7720 6.8848 6.8848 7.6074 7.6074 7.6463 7.6463 k = 0.0000 0.0000 0.3561 ( 8509 PWs) bands (ev): -11.4401 -11.4401 -10.7966 -10.7966 -10.7869 -10.7869 -10.7798 -10.7798 -10.7710 -10.7710 -10.6859 -10.6859 -0.7595 -0.7595 -0.3212 -0.3212 -0.3206 -0.3206 -0.2847 -0.2847 -0.2334 -0.2334 -0.1938 -0.1938 0.3476 0.3476 0.6024 0.6024 0.6272 0.6272 0.8463 0.8463 1.2682 1.2682 1.2810 1.2810 1.4654 1.4654 1.4715 1.4715 1.5825 1.5825 1.6353 1.6353 1.9252 1.9252 2.0086 2.0086 6.7814 6.7814 6.7882 6.7882 6.8960 6.8960 7.6322 7.6322 7.6690 7.6690 k = 0.0000 0.0000 0.3799 ( 8521 PWs) bands (ev): -11.4210 -11.4210 -10.7987 -10.7987 -10.7891 -10.7891 -10.7823 -10.7823 -10.7739 -10.7739 -10.6907 -10.6907 -0.7479 -0.7479 -0.3513 -0.3513 -0.3508 -0.3508 -0.2500 -0.2500 -0.2389 -0.2389 -0.1996 -0.1996 0.3644 0.3644 0.6005 0.6005 0.6263 0.6263 0.8380 0.8380 1.2965 1.2965 1.3044 1.3044 1.4732 1.4732 1.4790 1.4790 1.5403 1.5403 1.6266 1.6266 1.9081 1.9081 1.9899 1.9899 6.8074 6.8074 6.8084 6.8084 6.9103 6.9103 7.6598 7.6598 7.6947 7.6947 k = 0.0000 0.0000 0.4036 ( 8521 PWs) bands (ev): -11.4011 -11.4011 -10.8009 -10.8009 -10.7913 -10.7913 -10.7849 -10.7849 -10.7769 -10.7769 -10.6962 -10.6962 -0.7351 -0.7351 -0.3800 -0.3800 -0.3781 -0.3781 -0.2455 -0.2455 -0.2143 -0.2143 -0.2062 -0.2062 0.3820 0.3820 0.6000 0.6000 0.6266 0.6266 0.8270 0.8270 1.3195 1.3195 1.3207 1.3207 1.4816 1.4816 1.4868 1.4868 1.5012 1.5012 1.6171 1.6171 1.8931 1.8931 1.9723 1.9723 6.8298 6.8298 6.8367 6.8367 6.9277 6.9277 7.6899 7.6899 7.7231 7.7231 k = 0.0000 0.0000 0.4274 ( 8533 PWs) bands (ev): -11.3804 -11.3804 -10.8031 -10.8031 -10.7936 -10.7936 -10.7874 -10.7874 -10.7799 -10.7799 -10.7024 -10.7024 -0.7211 -0.7211 -0.4064 -0.4064 -0.4031 -0.4031 -0.2532 -0.2532 -0.2139 -0.2139 -0.1782 -0.1782 0.4004 0.4004 0.6012 0.6012 0.6284 0.6284 0.8129 0.8129 1.3286 1.3286 1.3368 1.3368 1.4664 1.4664 1.4907 1.4907 1.4949 1.4949 1.6068 1.6068 1.8805 1.8805 1.9562 1.9562 6.8556 6.8556 6.8665 6.8665 6.9485 6.9485 7.7222 7.7222 7.7539 7.7539 k = 0.0000 0.0000 0.4511 ( 8533 PWs) bands (ev): -11.3590 -11.3590 -10.8054 -10.8054 -10.7959 -10.7959 -10.7899 -10.7899 -10.7828 -10.7828 -10.7092 -10.7092 -0.7057 -0.7057 -0.4305 -0.4305 -0.4257 -0.4257 -0.2620 -0.2620 -0.2226 -0.2226 -0.1422 -0.1422 0.4194 0.4194 0.6042 0.6042 0.6318 0.6318 0.7954 0.7954 1.3275 1.3275 1.3481 1.3481 1.4373 1.4373 1.5003 1.5003 1.5032 1.5032 1.5959 1.5959 1.8706 1.8706 1.9417 1.9417 6.8847 6.8847 6.8975 6.8975 6.9728 6.9728 7.7563 7.7563 7.7866 7.7866 k = 0.0000 0.0000 0.4748 ( 8533 PWs) bands (ev): -11.3369 -11.3369 -10.8076 -10.8076 -10.7982 -10.7982 -10.7925 -10.7925 -10.7858 -10.7858 -10.7169 -10.7169 -0.6889 -0.6889 -0.4522 -0.4522 -0.4459 -0.4459 -0.2720 -0.2720 -0.2324 -0.2324 -0.1066 -0.1066 0.4388 0.4388 0.6090 0.6090 0.6369 0.6369 0.7745 0.7745 1.3180 1.3180 1.3533 1.3533 1.4139 1.4139 1.5107 1.5107 1.5112 1.5112 1.5847 1.5847 1.8633 1.8633 1.9292 1.9292 6.9173 6.9173 6.9297 6.9297 7.0007 7.0007 7.7917 7.7917 7.8208 7.8208 k = 0.0000 0.0000 0.4986 ( 8539 PWs) bands (ev): -11.3143 -11.3143 -10.8097 -10.8097 -10.8004 -10.8004 -10.7949 -10.7949 -10.7887 -10.7887 -10.7253 -10.7253 -0.6707 -0.6707 -0.4715 -0.4715 -0.4637 -0.4637 -0.2831 -0.2831 -0.2434 -0.2434 -0.0723 -0.0723 0.4586 0.4586 0.6157 0.6157 0.6437 0.6437 0.7504 0.7504 1.3030 1.3030 1.3523 1.3523 1.3941 1.3941 1.5181 1.5181 1.5218 1.5218 1.5745 1.5745 1.8583 1.8583 1.9184 1.9184 6.9532 6.9532 6.9632 6.9632 7.0320 7.0320 7.8280 7.8280 7.8558 7.8558 k = 0.0000 0.0000 0.5223 ( 8514 PWs) bands (ev): -11.2912 -11.2912 -10.8119 -10.8119 -10.8026 -10.8026 -10.7974 -10.7974 -10.7916 -10.7916 -10.7344 -10.7344 -0.6509 -0.6509 -0.4884 -0.4884 -0.4790 -0.4790 -0.2952 -0.2952 -0.2554 -0.2554 -0.0398 -0.0398 0.4785 0.4785 0.6243 0.6243 0.6524 0.6524 0.7239 0.7239 1.2857 1.2857 1.3456 1.3456 1.3752 1.3752 1.5213 1.5213 1.5337 1.5337 1.5676 1.5676 1.8550 1.8550 1.9093 1.9093 6.9926 6.9926 6.9977 6.9977 7.0668 7.0668 7.8644 7.8644 7.8836 7.8836 k = 0.0000 0.0000 0.5461 ( 8514 PWs) bands (ev): -11.2677 -11.2677 -10.8141 -10.8141 -10.8048 -10.8048 -10.7997 -10.7997 -10.7944 -10.7944 -10.7444 -10.7444 -0.6296 -0.6296 -0.5030 -0.5030 -0.4920 -0.4920 -0.3082 -0.3082 -0.2683 -0.2683 -0.0102 -0.0102 0.4985 0.4985 0.6347 0.6347 0.6630 0.6630 0.6960 0.6960 1.2683 1.2683 1.3335 1.3335 1.3557 1.3557 1.5171 1.5171 1.5464 1.5464 1.5679 1.5679 1.8527 1.8527 1.9015 1.9015 7.0333 7.0333 7.0352 7.0352 7.1049 7.1049 7.8669 7.8669 7.9003 7.9003 k = 0.0000 0.0000 0.5698 ( 8520 PWs) bands (ev): -11.2439 -11.2439 -10.8163 -10.8163 -10.8069 -10.8069 -10.8019 -10.8019 -10.7970 -10.7970 -10.7551 -10.7551 -0.6065 -0.6065 -0.5153 -0.5153 -0.5026 -0.5026 -0.3221 -0.3221 -0.2823 -0.2823 0.0154 0.0154 0.5181 0.5181 0.6470 0.6470 0.6680 0.6680 0.6755 0.6755 1.2515 1.2515 1.3166 1.3166 1.3356 1.3356 1.5059 1.5059 1.5600 1.5600 1.5748 1.5748 1.8509 1.8509 1.8944 1.8944 7.0698 7.0698 7.0809 7.0809 7.1462 7.1462 7.8495 7.8495 7.9345 7.9345 k = 0.0000 0.0000 0.5936 ( 8520 PWs) bands (ev): -11.2198 -11.2198 -10.8185 -10.8185 -10.8089 -10.8089 -10.8041 -10.8041 -10.7996 -10.7996 -10.7666 -10.7666 -0.5818 -0.5818 -0.5252 -0.5252 -0.5108 -0.5108 -0.3366 -0.3366 -0.2970 -0.2970 0.0357 0.0357 0.5374 0.5374 0.6419 0.6419 0.6611 0.6611 0.6899 0.6899 1.2345 1.2345 1.2958 1.2958 1.3158 1.3158 1.4910 1.4910 1.5744 1.5744 1.5854 1.5854 1.8489 1.8489 1.8877 1.8877 7.1070 7.1070 7.1294 7.1294 7.1903 7.1903 7.8314 7.8314 7.9657 7.9657 k = 0.0000 0.0000 0.6173 ( 8520 PWs) bands (ev): -11.1956 -11.1956 -10.8211 -10.8211 -10.8108 -10.8108 -10.8060 -10.8060 -10.8020 -10.8020 -10.7785 -10.7785 -0.5555 -0.5555 -0.5329 -0.5329 -0.5168 -0.5168 -0.3516 -0.3516 -0.3124 -0.3124 0.0491 0.0491 0.5559 0.5559 0.6193 0.6193 0.6770 0.6770 0.7063 0.7063 1.2161 1.2161 1.2716 1.2716 1.2979 1.2979 1.4742 1.4742 1.5896 1.5896 1.5979 1.5979 1.8462 1.8462 1.8808 1.8808 7.1449 7.1449 7.1806 7.1806 7.2370 7.2370 7.8125 7.8125 7.9922 7.9922 k = 0.0000 0.0000 0.6410 ( 8502 PWs) bands (ev): -11.1713 -11.1713 -10.8243 -10.8243 -10.8126 -10.8126 -10.8079 -10.8079 -10.8043 -10.8043 -10.7905 -10.7905 -0.5384 -0.5384 -0.5275 -0.5275 -0.5205 -0.5205 -0.3669 -0.3669 -0.3283 -0.3283 0.0544 0.0544 0.5735 0.5735 0.6021 0.6021 0.6945 0.6945 0.7244 0.7244 1.1947 1.1947 1.2447 1.2447 1.2836 1.2836 1.4562 1.4562 1.6055 1.6055 1.6116 1.6116 1.8425 1.8425 1.8734 1.8734 7.1833 7.1833 7.2340 7.2340 7.2858 7.2858 7.7930 7.7930 8.0116 8.0116 k = 0.0000 0.0000 0.6648 ( 8508 PWs) bands (ev): -11.1470 -11.1470 -10.8292 -10.8292 -10.8143 -10.8143 -10.8095 -10.8095 -10.8063 -10.8063 -10.8016 -10.8016 -0.5417 -0.5417 -0.5221 -0.5221 -0.4980 -0.4980 -0.3821 -0.3821 -0.3447 -0.3447 0.0506 0.0506 0.5898 0.5898 0.5913 0.5913 0.7138 0.7138 0.7444 0.7444 1.1699 1.1699 1.2157 1.2157 1.2736 1.2736 1.4375 1.4375 1.6220 1.6220 1.6260 1.6260 1.8376 1.8376 1.8652 1.8652 7.2220 7.2220 7.2895 7.2895 7.3363 7.3363 7.7729 7.7729 8.0212 8.0212 k = 0.0000 0.0000 0.6885 ( 8520 PWs) bands (ev): -11.1227 -11.1227 -10.8376 -10.8376 -10.8158 -10.8158 -10.8110 -10.8110 -10.8100 -10.8100 -10.8082 -10.8082 -0.5429 -0.5429 -0.5216 -0.5216 -0.4678 -0.4678 -0.3965 -0.3965 -0.3612 -0.3612 0.0378 0.0378 0.5870 0.5870 0.6044 0.6044 0.7347 0.7347 0.7661 0.7661 1.1422 1.1422 1.1852 1.1852 1.2676 1.2676 1.4184 1.4184 1.6390 1.6390 1.6412 1.6412 1.8313 1.8313 1.8560 1.8560 7.2607 7.2607 7.3466 7.3466 7.3875 7.3875 7.7525 7.7525 8.0190 8.0190 k = 0.0000 0.0000 0.7123 ( 8526 PWs) bands (ev): -11.0986 -11.0986 -10.8500 -10.8500 -10.8172 -10.8172 -10.8150 -10.8150 -10.8123 -10.8123 -10.8099 -10.8099 -0.5422 -0.5422 -0.5191 -0.5191 -0.4412 -0.4412 -0.4055 -0.4055 -0.3778 -0.3778 0.0167 0.0167 0.5886 0.5886 0.6170 0.6170 0.7572 0.7572 0.7895 0.7895 1.1123 1.1123 1.1535 1.1535 1.2650 1.2650 1.3994 1.3994 1.6563 1.6563 1.6567 1.6567 1.8236 1.8236 1.8457 1.8457 7.2993 7.2993 7.4049 7.4049 7.4384 7.4384 7.7325 7.7325 8.0046 8.0046 k = 0.0000 0.0000 0.7360 ( 8532 PWs) bands (ev): -11.0747 -11.0747 -10.8654 -10.8654 -10.8184 -10.8184 -10.8178 -10.8178 -10.8134 -10.8134 -10.8114 -10.8114 -0.5395 -0.5395 -0.5148 -0.5148 -0.4383 -0.4383 -0.3943 -0.3943 -0.3889 -0.3889 -0.0110 -0.0110 0.5946 0.5946 0.6273 0.6273 0.7814 0.7814 0.8144 0.8144 1.0812 1.0812 1.1211 1.1211 1.2652 1.2652 1.3805 1.3805 1.6726 1.6726 1.6740 1.6740 1.8145 1.8145 1.8343 1.8343 7.3375 7.3375 7.4641 7.4641 7.4868 7.4868 7.7146 7.7146 7.9795 7.9795 k = 0.0000 0.0000 0.7597 ( 8550 PWs) bands (ev): -11.0511 -11.0511 -10.8825 -10.8825 -10.8195 -10.8195 -10.8194 -10.8194 -10.8142 -10.8142 -10.8127 -10.8127 -0.5351 -0.5351 -0.5086 -0.5086 -0.4502 -0.4502 -0.4104 -0.4104 -0.3555 -0.3555 -0.0440 -0.0440 0.6033 0.6033 0.6350 0.6350 0.8071 0.8071 0.8408 0.8408 1.0493 1.0493 1.0883 1.0883 1.2679 1.2679 1.3622 1.3622 1.6886 1.6886 1.6918 1.6918 1.8041 1.8041 1.8217 1.8217 7.3750 7.3750 7.5236 7.5236 7.5277 7.5277 7.7032 7.7032 7.9455 7.9455 k = 0.0000 0.0000 0.7835 ( 8550 PWs) bands (ev): -11.0279 -11.0279 -10.9009 -10.9009 -10.8205 -10.8205 -10.8203 -10.8203 -10.8149 -10.8149 -10.8137 -10.8137 -0.5289 -0.5289 -0.5008 -0.5008 -0.4638 -0.4638 -0.4261 -0.4261 -0.3186 -0.3186 -0.0804 -0.0804 0.6131 0.6131 0.6400 0.6400 0.8341 0.8341 0.8686 0.8686 1.0172 1.0172 1.0554 1.0554 1.2729 1.2729 1.3448 1.3448 1.7047 1.7047 1.7096 1.7096 1.7924 1.7924 1.8080 1.8080 7.4115 7.4115 7.5519 7.5519 7.5829 7.5829 7.7070 7.7070 7.9047 7.9047 k = 0.0000 0.0000 0.8072 ( 8550 PWs) bands (ev): -11.0052 -11.0052 -10.9202 -10.9202 -10.8212 -10.8212 -10.8209 -10.8209 -10.8153 -10.8153 -10.8145 -10.8145 -0.5211 -0.5211 -0.4914 -0.4914 -0.4771 -0.4771 -0.4411 -0.4411 -0.2799 -0.2799 -0.1192 -0.1192 0.6227 0.6227 0.6420 0.6420 0.8624 0.8624 0.8976 0.8976 0.9851 0.9851 1.0227 1.0227 1.2800 1.2800 1.3285 1.3285 1.7206 1.7206 1.7272 1.7272 1.7797 1.7797 1.7933 1.7933 7.4466 7.4466 7.5523 7.5523 7.6417 7.6417 7.7325 7.7325 7.8586 7.8586 k = 0.0000 0.0000 0.8310 ( 8526 PWs) bands (ev): -10.9830 -10.9830 -10.9404 -10.9404 -10.8215 -10.8215 -10.8213 -10.8213 -10.8154 -10.8154 -10.8151 -10.8151 -0.5119 -0.5119 -0.4898 -0.4898 -0.4806 -0.4806 -0.4553 -0.4553 -0.2402 -0.2402 -0.1593 -0.1593 0.6310 0.6310 0.6411 0.6411 0.8919 0.8919 0.9276 0.9276 0.9534 0.9534 0.9904 0.9904 1.2893 1.2893 1.3137 1.3137 1.7363 1.7363 1.7446 1.7446 1.7659 1.7659 1.7778 1.7778 7.4797 7.4797 7.5355 7.5355 7.6992 7.6992 7.7726 7.7726 7.8084 7.8084 k = 0.0000 0.0000 0.8547 ( 8538 PWs) bands (ev): -10.9614 -10.9614 -10.9614 -10.9614 -10.8215 -10.8215 -10.8215 -10.8215 -10.8154 -10.8154 -10.8154 -10.8154 -0.5014 -0.5014 -0.5014 -0.5014 -0.4685 -0.4685 -0.4685 -0.4685 -0.1998 -0.1998 -0.1998 -0.1998 0.6373 0.6373 0.6373 0.6373 0.9222 0.9222 0.9222 0.9222 0.9586 0.9586 0.9586 0.9586 1.3006 1.3006 1.3006 1.3006 1.7514 1.7514 1.7514 1.7514 1.7615 1.7615 1.7615 1.7615 7.5099 7.5099 7.5099 7.5099 7.7550 7.7550 7.7550 7.7550 7.8184 7.8184 k = 0.0000 0.0000 0.8547 ( 8538 PWs) bands (ev): -10.9614 -10.9614 -10.9614 -10.9614 -10.8215 -10.8215 -10.8215 -10.8215 -10.8154 -10.8154 -10.8154 -10.8154 -0.5014 -0.5014 -0.5014 -0.5014 -0.4685 -0.4685 -0.4685 -0.4685 -0.1998 -0.1998 -0.1998 -0.1998 0.6373 0.6373 0.6373 0.6373 0.9222 0.9222 0.9222 0.9222 0.9586 0.9586 0.9586 0.9586 1.3006 1.3006 1.3006 1.3006 1.7514 1.7514 1.7514 1.7514 1.7615 1.7615 1.7615 1.7615 7.5099 7.5099 7.5099 7.5099 7.7550 7.7550 7.7550 7.7550 7.8184 7.8184 k = 0.0200 0.0115 0.8547 ( 8522 PWs) bands (ev): -10.9612 -10.9612 -10.9612 -10.9612 -10.8216 -10.8216 -10.8216 -10.8216 -10.8154 -10.8154 -10.8154 -10.8154 -0.5037 -0.5037 -0.5036 -0.5036 -0.4705 -0.4705 -0.4704 -0.4704 -0.1952 -0.1952 -0.1952 -0.1952 0.6315 0.6315 0.6315 0.6315 0.9244 0.9244 0.9246 0.9246 0.9603 0.9603 0.9605 0.9605 1.3025 1.3025 1.3025 1.3025 1.7513 1.7513 1.7514 1.7514 1.7616 1.7616 1.7617 1.7617 7.5103 7.5103 7.5104 7.5104 7.7541 7.7541 7.7542 7.7542 7.8185 7.8186 k = 0.0400 0.0231 0.8547 ( 8526 PWs) bands (ev): -10.9608 -10.9608 -10.9608 -10.9608 -10.8218 -10.8218 -10.8218 -10.8218 -10.8156 -10.8156 -10.8156 -10.8156 -0.5116 -0.5116 -0.5109 -0.5109 -0.4748 -0.4748 -0.4740 -0.4740 -0.1824 -0.1824 -0.1824 -0.1824 0.6149 0.6149 0.6149 0.6149 0.9286 0.9286 0.9299 0.9299 0.9660 0.9660 0.9672 0.9672 1.3081 1.3081 1.3081 1.3081 1.7507 1.7507 1.7513 1.7513 1.7618 1.7618 1.7625 1.7625 7.5116 7.5116 7.5116 7.5116 7.7512 7.7512 7.7519 7.7519 7.8184 7.8185 k = 0.0600 0.0346 0.8547 ( 8524 PWs) bands (ev): -10.9602 -10.9602 -10.9602 -10.9602 -10.8221 -10.8221 -10.8220 -10.8220 -10.8159 -10.8159 -10.8158 -10.8158 -0.5265 -0.5265 -0.5248 -0.5248 -0.4782 -0.4782 -0.4764 -0.4764 -0.1630 -0.1630 -0.1629 -0.1629 0.5899 0.5899 0.5900 0.5900 0.9314 0.9314 0.9348 0.9348 0.9771 0.9771 0.9803 0.9803 1.3170 1.3170 1.3172 1.3172 1.7493 1.7493 1.7511 1.7511 1.7625 1.7625 1.7644 1.7644 7.5135 7.5135 7.5138 7.5138 7.7466 7.7466 7.7485 7.7485 7.8180 7.8180 k = 0.0800 0.0462 0.8547 ( 8528 PWs) bands (ev): -10.9592 -10.9592 -10.9592 -10.9592 -10.8226 -10.8226 -10.8224 -10.8224 -10.8163 -10.8163 -10.8161 -10.8161 -0.5468 -0.5468 -0.5443 -0.5443 -0.4798 -0.4798 -0.4769 -0.4769 -0.1390 -0.1390 -0.1389 -0.1389 0.5589 0.5589 0.5592 0.5592 0.9320 0.9320 0.9378 0.9378 0.9931 0.9931 0.9983 0.9983 1.3286 1.3286 1.3290 1.3290 1.7470 1.7470 1.7502 1.7502 1.7641 1.7641 1.7675 1.7675 7.5161 7.5161 7.5168 7.5168 7.7405 7.7405 7.7441 7.7441 7.8169 7.8169 k = 0.1000 0.0577 0.8547 ( 8528 PWs) bands (ev): -10.9581 -10.9581 -10.9580 -10.9580 -10.8232 -10.8232 -10.8229 -10.8229 -10.8168 -10.8168 -10.8164 -10.8164 -0.5705 -0.5705 -0.5673 -0.5673 -0.4800 -0.4800 -0.4762 -0.4762 -0.1119 -0.1119 -0.1117 -0.1117 0.5240 0.5240 0.5243 0.5243 0.9311 0.9311 0.9393 0.9393 1.0119 1.0119 1.0191 1.0191 1.3423 1.3423 1.3430 1.3430 1.7443 1.7443 1.7486 1.7486 1.7671 1.7671 1.7719 1.7719 7.5191 7.5191 7.5205 7.5205 7.7334 7.7334 7.7391 7.7391 7.8153 7.8153 k = 0.1200 0.0693 0.8547 ( 8526 PWs) bands (ev): -10.9566 -10.9566 -10.9566 -10.9566 -10.8240 -10.8240 -10.8235 -10.8235 -10.8173 -10.8173 -10.8168 -10.8168 -0.5961 -0.5961 -0.5923 -0.5923 -0.4793 -0.4793 -0.4747 -0.4747 -0.0828 -0.0828 -0.0826 -0.0826 0.4863 0.4863 0.4868 0.4868 0.9293 0.9293 0.9400 0.9400 1.0318 1.0318 1.0410 1.0410 1.3571 1.3571 1.3583 1.3583 1.7412 1.7412 1.7464 1.7464 1.7717 1.7717 1.7776 1.7776 7.5224 7.5224 7.5249 7.5249 7.7262 7.7262 7.7335 7.7335 7.8133 7.8133 k = 0.1400 0.0808 0.8547 ( 8538 PWs) bands (ev): -10.9550 -10.9550 -10.9550 -10.9550 -10.8250 -10.8250 -10.8242 -10.8242 -10.8180 -10.8180 -10.8172 -10.8172 -0.6225 -0.6225 -0.6182 -0.6182 -0.4779 -0.4779 -0.4725 -0.4725 -0.0524 -0.0524 -0.0522 -0.0522 0.4471 0.4471 0.4476 0.4476 0.9268 0.9268 0.9403 0.9403 1.0520 1.0520 1.0632 1.0632 1.3722 1.3722 1.3739 1.3739 1.7381 1.7381 1.7438 1.7438 1.7778 1.7778 1.7846 1.7846 7.5256 7.5256 7.5299 7.5299 7.7193 7.7193 7.7274 7.7274 7.8112 7.8112 k = 0.1600 0.0924 0.8547 ( 8534 PWs) bands (ev): -10.9531 -10.9531 -10.9531 -10.9531 -10.8262 -10.8262 -10.8251 -10.8251 -10.8187 -10.8187 -10.8176 -10.8176 -0.6490 -0.6490 -0.6444 -0.6444 -0.4758 -0.4758 -0.4697 -0.4697 -0.0213 -0.0213 -0.0211 -0.0211 0.4070 0.4070 0.4077 0.4077 0.9240 0.9240 0.9402 0.9402 1.0719 1.0719 1.0852 1.0852 1.3866 1.3866 1.3891 1.3891 1.7353 1.7353 1.7411 1.7411 1.7856 1.7856 1.7930 1.7930 7.5284 7.5284 7.5352 7.5352 7.7134 7.7134 7.7209 7.7209 7.8092 7.8092 k = 0.1800 0.1039 0.8547 ( 8538 PWs) bands (ev): -10.9511 -10.9511 -10.9510 -10.9510 -10.8275 -10.8275 -10.8262 -10.8262 -10.8193 -10.8193 -10.8181 -10.8181 -0.6753 -0.6753 -0.6703 -0.6703 -0.4731 -0.4731 -0.4663 -0.4663 0.0101 0.0101 0.0102 0.0102 0.3665 0.3665 0.3675 0.3675 0.9209 0.9209 0.9399 0.9399 1.0913 1.0913 1.1067 1.1067 1.3996 1.3996 1.4029 1.4029 1.7330 1.7330 1.7385 1.7385 1.7951 1.7951 1.8029 1.8029 7.5303 7.5303 7.5406 7.5406 7.7091 7.7091 7.7142 7.7142 7.8077 7.8077 k = 0.2000 0.1155 0.8547 ( 8546 PWs) bands (ev): -10.9488 -10.9488 -10.9487 -10.9487 -10.8290 -10.8290 -10.8274 -10.8274 -10.8200 -10.8200 -10.8185 -10.8185 -0.7009 -0.7009 -0.6958 -0.6958 -0.4697 -0.4697 -0.4624 -0.4624 0.0412 0.0412 0.0415 0.0415 0.3262 0.3262 0.3276 0.3276 0.9175 0.9175 0.9394 0.9394 1.1099 1.1099 1.1273 1.1273 1.4106 1.4106 1.4149 1.4149 1.7314 1.7314 1.7363 1.7363 1.8062 1.8062 1.8143 1.8143 7.5311 7.5311 7.5457 7.5457 7.7067 7.7067 7.7075 7.7075 7.8071 7.8071 k = 0.2200 0.1270 0.8547 ( 8538 PWs) bands (ev): -10.9464 -10.9464 -10.9463 -10.9463 -10.8306 -10.8306 -10.8288 -10.8288 -10.8206 -10.8206 -10.8189 -10.8189 -0.7257 -0.7257 -0.7204 -0.7204 -0.4657 -0.4657 -0.4579 -0.4579 0.0716 0.0716 0.0723 0.0723 0.2865 0.2865 0.2888 0.2888 0.9140 0.9140 0.9387 0.9387 1.1276 1.1276 1.1469 1.1469 1.4193 1.4193 1.4246 1.4246 1.7306 1.7306 1.7347 1.7347 1.8189 1.8189 1.8270 1.8270 7.5305 7.5305 7.5502 7.5502 7.7011 7.7011 7.7066 7.7066 7.8076 7.8076 k = 0.2400 0.1386 0.8547 ( 8524 PWs) bands (ev): -10.9438 -10.9438 -10.9437 -10.9437 -10.8324 -10.8324 -10.8305 -10.8305 -10.8211 -10.8211 -10.8194 -10.8194 -0.7494 -0.7494 -0.7440 -0.7440 -0.4610 -0.4610 -0.4527 -0.4527 0.1001 0.1001 0.1023 0.1023 0.2481 0.2481 0.2522 0.2522 0.9103 0.9103 0.9376 0.9376 1.1442 1.1442 1.1654 1.1654 1.4254 1.4254 1.4316 1.4316 1.7308 1.7308 1.7337 1.7337 1.8330 1.8330 1.8410 1.8410 7.5285 7.5285 7.5536 7.5536 7.6955 7.6955 7.7084 7.7084 7.8094 7.8094 k = 0.2600 0.1501 0.8547 ( 8526 PWs) bands (ev): -10.9411 -10.9411 -10.9410 -10.9410 -10.8343 -10.8343 -10.8323 -10.8323 -10.8216 -10.8216 -10.8198 -10.8198 -0.7718 -0.7718 -0.7665 -0.7665 -0.4555 -0.4555 -0.4469 -0.4469 0.1235 0.1235 0.1297 0.1297 0.2124 0.2124 0.2210 0.2210 0.9065 0.9065 0.9361 0.9361 1.1597 1.1597 1.1824 1.1824 1.4290 1.4290 1.4362 1.4362 1.7319 1.7319 1.7337 1.7337 1.8480 1.8480 1.8557 1.8557 7.5253 7.5253 7.5555 7.5555 7.6909 7.6909 7.7117 7.7117 7.8128 7.8128 k = 0.2800 0.1617 0.8547 ( 8532 PWs) bands (ev): -10.9384 -10.9384 -10.9382 -10.9382 -10.8363 -10.8363 -10.8342 -10.8342 -10.8221 -10.8221 -10.8202 -10.8202 -0.7929 -0.7929 -0.7876 -0.7876 -0.4494 -0.4494 -0.4405 -0.4405 0.1309 0.1309 0.1451 0.1451 0.1892 0.1892 0.2062 0.2062 0.9027 0.9027 0.9343 0.9343 1.1739 1.1739 1.1979 1.1979 1.4305 1.4305 1.4384 1.4384 1.7340 1.7340 1.7345 1.7345 1.8637 1.8637 1.8711 1.8711 7.5212 7.5212 7.5555 7.5555 7.6877 7.6877 7.7159 7.7159 7.8180 7.8180 k = 0.3000 0.1732 0.8547 ( 8520 PWs) bands (ev): -10.9356 -10.9356 -10.9353 -10.9353 -10.8383 -10.8383 -10.8362 -10.8362 -10.8225 -10.8225 -10.8207 -10.8207 -0.8124 -0.8124 -0.8073 -0.8073 -0.4426 -0.4426 -0.4335 -0.4335 0.1133 0.1133 0.1255 0.1255 0.2013 0.2013 0.2167 0.2167 0.8990 0.8990 0.9319 0.9319 1.1868 1.1868 1.2116 1.2116 1.4302 1.4302 1.4385 1.4385 1.7361 1.7361 1.7367 1.7367 1.8796 1.8796 1.8865 1.8865 7.5166 7.5166 7.5536 7.5536 7.6858 7.6858 7.7199 7.7199 7.8248 7.8248 k = 0.3200 0.1848 0.8547 ( 8532 PWs) bands (ev): -10.9327 -10.9327 -10.9324 -10.9324 -10.8404 -10.8404 -10.8384 -10.8384 -10.8228 -10.8228 -10.8211 -10.8211 -0.8303 -0.8303 -0.8255 -0.8255 -0.4350 -0.4350 -0.4260 -0.4260 0.0850 0.0850 0.0944 0.0944 0.2254 0.2254 0.2383 0.2383 0.8953 0.8953 0.9290 0.9290 1.1983 1.1983 1.2235 1.2235 1.4286 1.4286 1.4371 1.4371 1.7385 1.7385 1.7400 1.7400 1.8954 1.8954 1.9017 1.9017 7.5119 7.5119 7.5500 7.5500 7.6851 7.6851 7.7232 7.7232 7.8333 7.8333 k = 0.3400 0.1963 0.8547 ( 8532 PWs) bands (ev): -10.9299 -10.9299 -10.9296 -10.9296 -10.8425 -10.8425 -10.8406 -10.8406 -10.8231 -10.8231 -10.8215 -10.8215 -0.8465 -0.8465 -0.8420 -0.8420 -0.4269 -0.4269 -0.4179 -0.4179 0.0551 0.0551 0.0630 0.0630 0.2501 0.2501 0.2618 0.2618 0.8918 0.8918 0.9256 0.9256 1.2083 1.2083 1.2334 1.2334 1.4262 1.4262 1.4345 1.4345 1.7414 1.7414 1.7437 1.7437 1.9105 1.9105 1.9162 1.9162 7.5075 7.5075 7.5450 7.5450 7.6855 7.6855 7.7251 7.7251 7.8432 7.8432 k = 0.3600 0.2078 0.8547 ( 8540 PWs) bands (ev): -10.9272 -10.9272 -10.9269 -10.9269 -10.8446 -10.8446 -10.8427 -10.8427 -10.8234 -10.8234 -10.8219 -10.8219 -0.8609 -0.8609 -0.8568 -0.8568 -0.4183 -0.4183 -0.4096 -0.4096 0.0261 0.0261 0.0332 0.0332 0.2736 0.2736 0.2845 0.2845 0.8887 0.8887 0.9216 0.9216 1.2170 1.2170 1.2414 1.2414 1.4234 1.4234 1.4312 1.4312 1.7448 1.7448 1.7475 1.7475 1.9247 1.9247 1.9298 1.9298 7.5035 7.5035 7.5390 7.5390 7.6866 7.6866 7.7256 7.7256 7.8541 7.8541 k = 0.3800 0.2194 0.8547 ( 8532 PWs) bands (ev): -10.9246 -10.9246 -10.9243 -10.9243 -10.8465 -10.8465 -10.8448 -10.8448 -10.8236 -10.8236 -10.8223 -10.8223 -0.8735 -0.8735 -0.8698 -0.8698 -0.4094 -0.4094 -0.4012 -0.4012 -0.0010 -0.0010 0.0055 0.0055 0.2954 0.2954 0.3055 0.3055 0.8860 0.8860 0.9171 0.9171 1.2245 1.2245 1.2474 1.2474 1.4207 1.4207 1.4276 1.4276 1.7484 1.7484 1.7512 1.7512 1.9376 1.9376 1.9420 1.9420 7.5001 7.5001 7.5326 7.5326 7.6884 7.6884 7.7248 7.7248 7.8655 7.8655 k = 0.4000 0.2309 0.8547 ( 8520 PWs) bands (ev): -10.9222 -10.9222 -10.9219 -10.9219 -10.8484 -10.8484 -10.8469 -10.8469 -10.8237 -10.8237 -10.8226 -10.8226 -0.8841 -0.8841 -0.8810 -0.8810 -0.4005 -0.4005 -0.3929 -0.3929 -0.0253 -0.0253 -0.0195 -0.0195 0.3149 0.3149 0.3241 0.3241 0.8840 0.8840 0.9122 0.9122 1.2308 1.2308 1.2515 1.2515 1.4181 1.4181 1.4241 1.4241 1.7520 1.7520 1.7547 1.7547 1.9490 1.9490 1.9528 1.9528 7.4976 7.4976 7.5260 7.5260 7.6905 7.6905 7.7228 7.7228 7.8768 7.8768 k = 0.4200 0.2425 0.8547 ( 8508 PWs) bands (ev): -10.9201 -10.9201 -10.9197 -10.9197 -10.8499 -10.8499 -10.8487 -10.8487 -10.8238 -10.8238 -10.8229 -10.8229 -0.8928 -0.8928 -0.8903 -0.8903 -0.3919 -0.3919 -0.3852 -0.3852 -0.0465 -0.0465 -0.0414 -0.0414 0.3318 0.3318 0.3398 0.3398 0.8828 0.8828 0.9070 0.9070 1.2362 1.2362 1.2539 1.2539 1.4160 1.4160 1.4209 1.4209 1.7553 1.7553 1.7578 1.7578 1.9587 1.9587 1.9617 1.9617 7.4961 7.4961 7.5196 7.5196 7.6930 7.6930 7.7201 7.7201 7.8875 7.8875 k = 0.4400 0.2540 0.8547 ( 8512 PWs) bands (ev): -10.9183 -10.9183 -10.9180 -10.9180 -10.8513 -10.8513 -10.8503 -10.8503 -10.8239 -10.8239 -10.8232 -10.8232 -0.8995 -0.8995 -0.8976 -0.8976 -0.3840 -0.3840 -0.3786 -0.3786 -0.0638 -0.0638 -0.0596 -0.0596 0.3457 0.3457 0.3521 0.3521 0.8826 0.8826 0.9018 0.9018 1.2408 1.2408 1.2548 1.2548 1.4145 1.4145 1.4181 1.4181 1.7582 1.7582 1.7602 1.7602 1.9664 1.9664 1.9687 1.9687 7.4956 7.4956 7.5137 7.5137 7.6958 7.6958 7.7168 7.7168 7.8969 7.8969 k = 0.4600 0.2656 0.8547 ( 8524 PWs) bands (ev): -10.9169 -10.9169 -10.9167 -10.9167 -10.8522 -10.8522 -10.8515 -10.8515 -10.8239 -10.8239 -10.8234 -10.8234 -0.9043 -0.9043 -0.9029 -0.9029 -0.3774 -0.3774 -0.3736 -0.3736 -0.0765 -0.0765 -0.0736 -0.0736 0.3563 0.3563 0.3608 0.3608 0.8834 0.8834 0.8967 0.8967 1.2448 1.2448 1.2545 1.2545 1.4135 1.4135 1.4159 1.4159 1.7605 1.7605 1.7619 1.7619 1.9722 1.9722 1.9737 1.9737 7.4961 7.4961 7.5084 7.5084 7.6989 7.6989 7.7132 7.7132 7.9045 7.9045 k = 0.4800 0.2771 0.8547 ( 8528 PWs) bands (ev): -10.9160 -10.9160 -10.9159 -10.9159 -10.8527 -10.8527 -10.8524 -10.8524 -10.8238 -10.8238 -10.8236 -10.8236 -0.9070 -0.9070 -0.9063 -0.9063 -0.3727 -0.3727 -0.3707 -0.3707 -0.0841 -0.0841 -0.0826 -0.0826 0.3633 0.3633 0.3657 0.3657 0.8853 0.8853 0.8922 0.8922 1.2481 1.2481 1.2531 1.2531 1.4132 1.4132 1.4144 1.4144 1.7621 1.7621 1.7629 1.7629 1.9758 1.9758 1.9766 1.9766 7.4977 7.4977 7.5039 7.5039 7.7023 7.7023 7.7095 7.7095 7.9098 7.9098 k = 0.5000 0.2887 0.8547 ( 8540 PWs) bands (ev): -10.9157 -10.9157 -10.9157 -10.9157 -10.8528 -10.8528 -10.8528 -10.8528 -10.8237 -10.8237 -10.8237 -10.8237 -0.9076 -0.9076 -0.9076 -0.9076 -0.3704 -0.3704 -0.3704 -0.3704 -0.0862 -0.0862 -0.0862 -0.0862 0.3665 0.3665 0.3665 0.3665 0.8883 0.8883 0.8883 0.8883 1.2509 1.2509 1.2509 1.2509 1.4135 1.4135 1.4135 1.4135 1.7629 1.7629 1.7629 1.7629 1.9773 1.9773 1.9773 1.9773 7.5003 7.5003 7.5003 7.5003 7.7058 7.7058 7.7058 7.7058 7.9125 7.9125 k = 0.5000 0.2887 0.8547 ( 8540 PWs) bands (ev): -10.9157 -10.9157 -10.9157 -10.9157 -10.8528 -10.8528 -10.8528 -10.8528 -10.8237 -10.8237 -10.8237 -10.8237 -0.9076 -0.9076 -0.9076 -0.9076 -0.3704 -0.3704 -0.3704 -0.3704 -0.0862 -0.0862 -0.0862 -0.0862 0.3665 0.3665 0.3665 0.3665 0.8883 0.8883 0.8883 0.8883 1.2509 1.2509 1.2509 1.2509 1.4135 1.4135 1.4135 1.4135 1.7629 1.7629 1.7629 1.7629 1.9773 1.9773 1.9773 1.9773 7.5003 7.5003 7.5003 7.5003 7.7058 7.7058 7.7058 7.7058 7.9125 7.9125 k = 0.4889 0.3079 0.8547 ( 8528 PWs) bands (ev): -10.9159 -10.9159 -10.9154 -10.9154 -10.8528 -10.8528 -10.8528 -10.8528 -10.8241 -10.8241 -10.8236 -10.8236 -0.9073 -0.9073 -0.9067 -0.9067 -0.3737 -0.3737 -0.3702 -0.3702 -0.0906 -0.0906 -0.0862 -0.0862 0.3696 0.3696 0.3717 0.3717 0.8876 0.8876 0.8890 0.8890 1.2457 1.2457 1.2524 1.2524 1.4116 1.4116 1.4157 1.4157 1.7639 1.7639 1.7640 1.7640 1.9766 1.9766 1.9773 1.9773 7.4908 7.4908 7.5102 7.5102 7.7007 7.7007 7.7116 7.7116 7.9065 7.9065 k = 0.4778 0.3272 0.8547 ( 8528 PWs) bands (ev): -10.9159 -10.9159 -10.9149 -10.9149 -10.8528 -10.8528 -10.8528 -10.8528 -10.8245 -10.8245 -10.8235 -10.8235 -0.9058 -0.9058 -0.9046 -0.9046 -0.3800 -0.3800 -0.3730 -0.3730 -0.0989 -0.0989 -0.0903 -0.0903 0.3807 0.3807 0.3849 0.3849 0.8870 0.8870 0.8899 0.8899 1.2371 1.2371 1.2497 1.2497 1.4107 1.4107 1.4179 1.4179 1.7670 1.7670 1.7670 1.7670 1.9753 1.9753 1.9766 1.9766 7.4819 7.4819 7.5203 7.5203 7.6964 7.6964 7.7178 7.7178 7.9012 7.9012 k = 0.4667 0.3464 0.8547 ( 8528 PWs) bands (ev): -10.9159 -10.9159 -10.9144 -10.9144 -10.8527 -10.8527 -10.8527 -10.8527 -10.8251 -10.8251 -10.8236 -10.8236 -0.9032 -0.9032 -0.9013 -0.9013 -0.3892 -0.3892 -0.3787 -0.3787 -0.1101 -0.1101 -0.0976 -0.0976 0.3988 0.3988 0.4049 0.4049 0.8865 0.8865 0.8907 0.8907 1.2254 1.2254 1.2426 1.2426 1.4110 1.4110 1.4199 1.4199 1.7718 1.7718 1.7721 1.7721 1.9734 1.9734 1.9752 1.9752 7.4736 7.4736 7.5305 7.5305 7.6930 7.6930 7.7243 7.7243 7.8967 7.8967 k = 0.4556 0.3657 0.8547 ( 8540 PWs) bands (ev): -10.9157 -10.9157 -10.9137 -10.9137 -10.8527 -10.8527 -10.8527 -10.8527 -10.8258 -10.8258 -10.8238 -10.8238 -0.8995 -0.8995 -0.8970 -0.8970 -0.4011 -0.4011 -0.3873 -0.3873 -0.1231 -0.1231 -0.1071 -0.1071 0.4227 0.4227 0.4305 0.4305 0.8861 0.8861 0.8915 0.8915 1.2109 1.2109 1.2312 1.2312 1.4127 1.4127 1.4216 1.4216 1.7780 1.7780 1.7790 1.7790 1.9709 1.9709 1.9732 1.9732 7.4660 7.4660 7.5405 7.5405 7.6908 7.6908 7.7310 7.7310 7.8929 7.8929 k = 0.4444 0.3849 0.8547 ( 8556 PWs) bands (ev): -10.9154 -10.9154 -10.9129 -10.9129 -10.8526 -10.8526 -10.8526 -10.8526 -10.8266 -10.8266 -10.8240 -10.8240 -0.8949 -0.8949 -0.8916 -0.8916 -0.4152 -0.4152 -0.3983 -0.3983 -0.1366 -0.1366 -0.1176 -0.1176 0.4509 0.4509 0.4603 0.4603 0.8857 0.8857 0.8923 0.8923 1.1936 1.1936 1.2159 1.2159 1.4159 1.4159 1.4231 1.4231 1.7854 1.7854 1.7875 1.7875 1.9678 1.9678 1.9704 1.9704 7.4591 7.4591 7.5499 7.5499 7.6897 7.6897 7.7376 7.7376 7.8900 7.8900 k = 0.4333 0.4041 0.8547 ( 8552 PWs) bands (ev): -10.9150 -10.9150 -10.9120 -10.9120 -10.8526 -10.8526 -10.8526 -10.8526 -10.8274 -10.8274 -10.8244 -10.8244 -0.8894 -0.8894 -0.8854 -0.8854 -0.4311 -0.4311 -0.4114 -0.4114 -0.1498 -0.1498 -0.1283 -0.1283 0.4822 0.4822 0.4933 0.4933 0.8854 0.8854 0.8930 0.8930 1.1740 1.1740 1.1971 1.1971 1.4201 1.4201 1.4245 1.4245 1.7938 1.7938 1.7973 1.7973 1.9642 1.9642 1.9670 1.9670 7.4529 7.4529 7.5583 7.5583 7.6899 7.6899 7.7440 7.7440 7.8880 7.8880 k = 0.4222 0.4234 0.8547 ( 8548 PWs) bands (ev): -10.9145 -10.9145 -10.9111 -10.9111 -10.8525 -10.8525 -10.8525 -10.8525 -10.8283 -10.8283 -10.8249 -10.8249 -0.8834 -0.8834 -0.8786 -0.8786 -0.4481 -0.4481 -0.4258 -0.4258 -0.1621 -0.1621 -0.1386 -0.1386 0.5155 0.5155 0.5283 0.5283 0.8851 0.8851 0.8936 0.8936 1.1521 1.1521 1.1757 1.1757 1.4250 1.4250 1.4260 1.4260 1.8028 1.8028 1.8081 1.8081 1.9601 1.9601 1.9629 1.9629 7.4473 7.4473 7.5655 7.5655 7.6913 7.6913 7.7500 7.7500 7.8870 7.8870 k = 0.4111 0.4426 0.8547 ( 8546 PWs) bands (ev): -10.9140 -10.9140 -10.9101 -10.9101 -10.8525 -10.8525 -10.8525 -10.8525 -10.8292 -10.8292 -10.8253 -10.8253 -0.8771 -0.8771 -0.8713 -0.8713 -0.4656 -0.4656 -0.4410 -0.4410 -0.1733 -0.1733 -0.1481 -0.1481 0.5499 0.5499 0.5647 0.5647 0.8846 0.8846 0.8939 0.8939 1.1284 1.1284 1.1523 1.1523 1.4275 1.4275 1.4303 1.4303 1.8121 1.8121 1.8196 1.8196 1.9557 1.9557 1.9581 1.9581 7.4424 7.4424 7.5714 7.5714 7.6937 7.6937 7.7555 7.7555 7.8870 7.8870 k = 0.4000 0.4619 0.8547 ( 8542 PWs) bands (ev): -10.9134 -10.9134 -10.9091 -10.9091 -10.8526 -10.8526 -10.8525 -10.8525 -10.8301 -10.8301 -10.8258 -10.8258 -0.8707 -0.8707 -0.8639 -0.8639 -0.4827 -0.4827 -0.4561 -0.4561 -0.1832 -0.1832 -0.1566 -0.1566 0.5845 0.5845 0.6015 0.6015 0.8839 0.8839 0.8936 0.8936 1.1035 1.1035 1.1278 1.1278 1.4290 1.4290 1.4355 1.4355 1.8216 1.8216 1.8314 1.8314 1.9510 1.9510 1.9528 1.9528 7.4382 7.4382 7.5759 7.5759 7.6967 7.6967 7.7603 7.7603 7.8880 7.8880 k = 0.3889 0.4811 0.8547 ( 8562 PWs) bands (ev): -10.9128 -10.9128 -10.9082 -10.9082 -10.8526 -10.8526 -10.8526 -10.8526 -10.8310 -10.8310 -10.8263 -10.8263 -0.8645 -0.8645 -0.8568 -0.8568 -0.4988 -0.4988 -0.4703 -0.4703 -0.1918 -0.1918 -0.1641 -0.1641 0.6185 0.6185 0.6381 0.6381 0.8827 0.8827 0.8926 0.8926 1.0781 1.0781 1.1031 1.1031 1.4305 1.4305 1.4405 1.4405 1.8309 1.8309 1.8433 1.8433 1.9461 1.9461 1.9469 1.9469 7.4346 7.4346 7.5791 7.5791 7.7000 7.7000 7.7644 7.7644 7.8899 7.8899 k = 0.3778 0.5004 0.8547 ( 8566 PWs) bands (ev): -10.9122 -10.9122 -10.9073 -10.9073 -10.8528 -10.8528 -10.8527 -10.8527 -10.8317 -10.8317 -10.8267 -10.8267 -0.8590 -0.8590 -0.8504 -0.8504 -0.5129 -0.5129 -0.4829 -0.4829 -0.1989 -0.1989 -0.1705 -0.1705 0.6509 0.6509 0.6738 0.6738 0.8807 0.8807 0.8904 0.8904 1.0532 1.0532 1.0794 1.0794 1.4319 1.4319 1.4450 1.4450 1.8396 1.8396 1.8550 1.8550 1.9406 1.9406 1.9413 1.9413 7.4316 7.4316 7.5813 7.5813 7.7030 7.7030 7.7677 7.7677 7.8925 7.8925 k = 0.3667 0.5196 0.8547 ( 8556 PWs) bands (ev): -10.9117 -10.9117 -10.9065 -10.9065 -10.8529 -10.8529 -10.8528 -10.8528 -10.8323 -10.8323 -10.8271 -10.8271 -0.8545 -0.8545 -0.8450 -0.8450 -0.5246 -0.5246 -0.4932 -0.4932 -0.2047 -0.2047 -0.1756 -0.1756 0.6804 0.6804 0.7074 0.7074 0.8776 0.8776 0.8861 0.8861 1.0305 1.0305 1.0582 1.0582 1.4331 1.4331 1.4487 1.4487 1.8473 1.8473 1.8659 1.8659 1.9342 1.9342 1.9370 1.9370 7.4292 7.4292 7.5826 7.5826 7.7055 7.7055 7.7702 7.7702 7.8955 7.8955 k = 0.3556 0.5389 0.8547 ( 8560 PWs) bands (ev): -10.9113 -10.9113 -10.9058 -10.9058 -10.8531 -10.8531 -10.8529 -10.8529 -10.8327 -10.8327 -10.8273 -10.8273 -0.8511 -0.8511 -0.8409 -0.8409 -0.5331 -0.5331 -0.5007 -0.5007 -0.2090 -0.2090 -0.1795 -0.1795 0.7053 0.7053 0.7373 0.7373 0.8733 0.8733 0.8793 0.8793 1.0122 1.0122 1.0413 1.0413 1.4341 1.4341 1.4515 1.4515 1.8534 1.8534 1.8755 1.8755 1.9280 1.9280 1.9334 1.9334 7.4275 7.4275 7.5834 7.5834 7.7073 7.7073 7.7719 7.7719 7.8982 7.8982 k = 0.3444 0.5581 0.8547 ( 8560 PWs) bands (ev): -10.9110 -10.9110 -10.9054 -10.9054 -10.8532 -10.8532 -10.8530 -10.8530 -10.8329 -10.8329 -10.8275 -10.8275 -0.8492 -0.8492 -0.8385 -0.8385 -0.5382 -0.5382 -0.5051 -0.5051 -0.2118 -0.2118 -0.1819 -0.1819 0.7227 0.7227 0.7601 0.7601 0.8690 0.8690 0.8712 0.8712 1.0004 1.0004 1.0305 1.0305 1.4347 1.4347 1.4533 1.4533 1.8574 1.8574 1.8826 1.8826 1.9230 1.9230 1.9311 1.9311 7.4265 7.4265 7.5837 7.5837 7.7083 7.7083 7.7730 7.7730 7.9003 7.9003 k = 0.3333 0.5774 0.8547 ( 8562 PWs) bands (ev): -10.9109 -10.9109 -10.9053 -10.9053 -10.8533 -10.8533 -10.8530 -10.8530 -10.8330 -10.8330 -10.8275 -10.8275 -0.8485 -0.8485 -0.8378 -0.8378 -0.5399 -0.5399 -0.5065 -0.5065 -0.2127 -0.2127 -0.1827 -0.1827 0.7291 0.7291 0.7693 0.7693 0.8670 0.8670 0.8670 0.8670 0.9965 0.9965 1.0268 1.0268 1.4350 1.4350 1.4538 1.4538 1.8587 1.8587 1.8853 1.8853 1.9211 1.9211 1.9303 1.9303 7.4262 7.4262 7.5838 7.5838 7.7086 7.7086 7.7733 7.7733 7.9011 7.9011 k = 0.3333 0.5774 0.8547 ( 8562 PWs) bands (ev): -10.9109 -10.9109 -10.9053 -10.9053 -10.8533 -10.8533 -10.8530 -10.8530 -10.8330 -10.8330 -10.8275 -10.8275 -0.8485 -0.8485 -0.8378 -0.8378 -0.5399 -0.5399 -0.5065 -0.5065 -0.2127 -0.2127 -0.1827 -0.1827 0.7291 0.7291 0.7693 0.7693 0.8670 0.8670 0.8670 0.8670 0.9965 0.9965 1.0268 1.0268 1.4350 1.4350 1.4538 1.4538 1.8587 1.8587 1.8853 1.8853 1.9211 1.9211 1.9303 1.9303 7.4262 7.4262 7.5838 7.5838 7.7086 7.7086 7.7733 7.7733 7.9011 7.9011 k = 0.3218 0.5574 0.8547 ( 8558 PWs) bands (ev): -10.9110 -10.9110 -10.9055 -10.9055 -10.8532 -10.8532 -10.8530 -10.8530 -10.8329 -10.8329 -10.8275 -10.8275 -0.8491 -0.8491 -0.8385 -0.8385 -0.5383 -0.5383 -0.5052 -0.5052 -0.2116 -0.2116 -0.1818 -0.1818 0.7221 0.7221 0.7593 0.7593 0.8694 0.8694 0.8718 0.8718 1.0005 1.0005 1.0306 1.0306 1.4347 1.4347 1.4532 1.4532 1.8574 1.8574 1.8826 1.8826 1.9229 1.9229 1.9310 1.9310 7.4265 7.4265 7.5838 7.5838 7.7083 7.7083 7.7729 7.7729 7.9001 7.9001 k = 0.3103 0.5375 0.8547 ( 8560 PWs) bands (ev): -10.9114 -10.9114 -10.9060 -10.9060 -10.8529 -10.8529 -10.8528 -10.8528 -10.8327 -10.8327 -10.8273 -10.8273 -0.8505 -0.8505 -0.8403 -0.8403 -0.5338 -0.5338 -0.5014 -0.5014 -0.2080 -0.2080 -0.1786 -0.1786 0.7031 0.7031 0.7347 0.7347 0.8754 0.8754 0.8818 0.8818 1.0120 1.0120 1.0412 1.0412 1.4339 1.4339 1.4513 1.4513 1.8536 1.8536 1.8759 1.8759 1.9269 1.9269 1.9327 1.9327 7.4277 7.4277 7.5836 7.5836 7.7076 7.7076 7.7720 7.7720 7.8970 7.8970 k = 0.2989 0.5176 0.8547 ( 8568 PWs) bands (ev): -10.9121 -10.9121 -10.9070 -10.9070 -10.8524 -10.8524 -10.8524 -10.8524 -10.8323 -10.8323 -10.8270 -10.8270 -0.8524 -0.8524 -0.8427 -0.8427 -0.5272 -0.5272 -0.4960 -0.4960 -0.2016 -0.2016 -0.1730 -0.1730 0.6759 0.6759 0.7025 0.7025 0.8824 0.8824 0.8915 0.8915 1.0293 1.0293 1.0572 1.0572 1.4326 1.4326 1.4480 1.4480 1.8480 1.8480 1.8674 1.8674 1.9309 1.9309 1.9345 1.9345 7.4297 7.4297 7.5835 7.5835 7.7067 7.7067 7.7704 7.7704 7.8918 7.8918 k = 0.2874 0.4977 0.8547 ( 8570 PWs) bands (ev): -10.9131 -10.9131 -10.9083 -10.9083 -10.8518 -10.8518 -10.8516 -10.8516 -10.8318 -10.8318 -10.8267 -10.8267 -0.8541 -0.8541 -0.8450 -0.8450 -0.5193 -0.5193 -0.4897 -0.4897 -0.1922 -0.1922 -0.1647 -0.1647 0.6438 0.6438 0.6664 0.6664 0.8892 0.8892 0.8990 0.8990 1.0503 1.0503 1.0768 1.0768 1.4308 1.4308 1.4436 1.4436 1.8412 1.8412 1.8579 1.8579 1.9338 1.9338 1.9359 1.9359 7.4325 7.4325 7.5834 7.5834 7.7056 7.7056 7.7683 7.7683 7.8844 7.8844 k = 0.2759 0.4778 0.8547 ( 8570 PWs) bands (ev): -10.9145 -10.9145 -10.9100 -10.9100 -10.8511 -10.8511 -10.8506 -10.8506 -10.8313 -10.8313 -10.8263 -10.8263 -0.8552 -0.8552 -0.8468 -0.8468 -0.5109 -0.5109 -0.4833 -0.4833 -0.1793 -0.1793 -0.1534 -0.1534 0.6087 0.6087 0.6282 0.6282 0.8950 0.8950 0.9046 0.9046 1.0731 1.0731 1.0984 1.0984 1.4285 1.4285 1.4382 1.4382 1.8337 1.8337 1.8481 1.8481 1.9352 1.9352 1.9362 1.9362 7.4362 7.4362 7.5833 7.5833 7.7046 7.7046 7.7657 7.7657 7.8753 7.8753 k = 0.2644 0.4579 0.8547 ( 8554 PWs) bands (ev): -10.9161 -10.9161 -10.9121 -10.9121 -10.8501 -10.8501 -10.8493 -10.8493 -10.8306 -10.8306 -10.8258 -10.8258 -0.8554 -0.8554 -0.8476 -0.8476 -0.5027 -0.5027 -0.4774 -0.4774 -0.1629 -0.1629 -0.1390 -0.1390 0.5718 0.5718 0.5889 0.5889 0.9001 0.9001 0.9089 0.9089 1.0960 1.0960 1.1205 1.1205 1.4260 1.4260 1.4320 1.4320 1.8258 1.8258 1.8380 1.8380 1.9346 1.9346 1.9351 1.9351 7.4408 7.4408 7.5833 7.5833 7.7039 7.7039 7.7625 7.7625 7.8649 7.8649 k = 0.2529 0.4380 0.8547 ( 8546 PWs) bands (ev): -10.9180 -10.9180 -10.9145 -10.9145 -10.8489 -10.8489 -10.8479 -10.8479 -10.8299 -10.8299 -10.8252 -10.8252 -0.8542 -0.8542 -0.8470 -0.8470 -0.4950 -0.4950 -0.4723 -0.4723 -0.1430 -0.1430 -0.1214 -0.1214 0.5340 0.5340 0.5491 0.5491 0.9044 0.9044 0.9121 0.9121 1.1178 1.1178 1.1421 1.1421 1.4235 1.4235 1.4253 1.4253 1.8176 1.8176 1.8279 1.8279 1.9321 1.9321 1.9323 1.9323 7.4462 7.4462 7.5833 7.5833 7.7033 7.7033 7.7587 7.7587 7.8535 7.8535 k = 0.2414 0.4181 0.8547 ( 8534 PWs) bands (ev): -10.9202 -10.9202 -10.9171 -10.9171 -10.8475 -10.8475 -10.8462 -10.8462 -10.8292 -10.8292 -10.8247 -10.8247 -0.8515 -0.8515 -0.8448 -0.8448 -0.4884 -0.4884 -0.4682 -0.4682 -0.1197 -0.1197 -0.1007 -0.1007 0.4959 0.4959 0.5090 0.5090 0.9083 0.9083 0.9147 0.9147 1.1375 1.1375 1.1619 1.1619 1.4186 1.4186 1.4212 1.4212 1.8093 1.8093 1.8180 1.8180 1.9275 1.9275 1.9278 1.9278 7.4524 7.4524 7.5833 7.5833 7.7031 7.7031 7.7543 7.7543 7.8418 7.8418 k = 0.2299 0.3982 0.8547 ( 8532 PWs) bands (ev): -10.9226 -10.9226 -10.9198 -10.9198 -10.8460 -10.8460 -10.8445 -10.8445 -10.8284 -10.8284 -10.8241 -10.8241 -0.8470 -0.8470 -0.8408 -0.8408 -0.4829 -0.4829 -0.4652 -0.4652 -0.0935 -0.0935 -0.0771 -0.0771 0.4578 0.4578 0.4692 0.4692 0.9117 0.9117 0.9169 0.9169 1.1543 1.1543 1.1789 1.1789 1.4125 1.4125 1.4194 1.4194 1.8010 1.8010 1.8083 1.8083 1.9209 1.9209 1.9215 1.9215 7.4594 7.4595 7.5831 7.5831 7.7032 7.7032 7.7492 7.7492 7.8301 7.8301 k = 0.2184 0.3783 0.8547 ( 8528 PWs) bands (ev): -10.9251 -10.9251 -10.9228 -10.9228 -10.8443 -10.8443 -10.8426 -10.8426 -10.8276 -10.8276 -10.8235 -10.8235 -0.8406 -0.8406 -0.8348 -0.8348 -0.4785 -0.4785 -0.4632 -0.4632 -0.0647 -0.0647 -0.0510 -0.0510 0.4202 0.4202 0.4299 0.4299 0.9148 0.9148 0.9186 0.9186 1.1675 1.1675 1.1923 1.1923 1.4078 1.4078 1.4184 1.4184 1.7928 1.7928 1.7990 1.7990 1.9124 1.9124 1.9134 1.9134 7.4671 7.4671 7.5827 7.5827 7.7037 7.7037 7.7435 7.7435 7.8189 7.8189 k = 0.2069 0.3584 0.8547 ( 8524 PWs) bands (ev): -10.9278 -10.9278 -10.9258 -10.9258 -10.8426 -10.8426 -10.8407 -10.8407 -10.8268 -10.8268 -10.8229 -10.8229 -0.8321 -0.8321 -0.8268 -0.8268 -0.4752 -0.4752 -0.4622 -0.4622 -0.0339 -0.0339 -0.0229 -0.0229 0.3835 0.3835 0.3915 0.3915 0.9176 0.9176 0.9201 0.9201 1.1767 1.1767 1.2009 1.2009 1.4049 1.4049 1.4186 1.4186 1.7847 1.7847 1.7900 1.7900 1.9022 1.9022 1.9038 1.9038 7.4754 7.4754 7.5818 7.5818 7.7045 7.7045 7.7370 7.7370 7.8089 7.8089 k = 0.1954 0.3384 0.8547 ( 8536 PWs) bands (ev): -10.9305 -10.9305 -10.9288 -10.9288 -10.8408 -10.8408 -10.8388 -10.8388 -10.8260 -10.8260 -10.8223 -10.8223 -0.8216 -0.8216 -0.8167 -0.8167 -0.4730 -0.4730 -0.4619 -0.4619 -0.0019 -0.0019 0.0064 0.0064 0.3484 0.3484 0.3546 0.3546 0.9201 0.9201 0.9214 0.9214 1.1815 1.1815 1.2042 1.2042 1.4044 1.4044 1.4197 1.4197 1.7769 1.7769 1.7816 1.7816 1.8905 1.8905 1.8928 1.8928 7.4841 7.4841 7.5804 7.5804 7.7056 7.7056 7.7299 7.7299 7.8003 7.8003 k = 0.1839 0.3185 0.8547 ( 8536 PWs) bands (ev): -10.9333 -10.9333 -10.9319 -10.9319 -10.8389 -10.8389 -10.8369 -10.8369 -10.8252 -10.8252 -10.8217 -10.8217 -0.8091 -0.8091 -0.8045 -0.8045 -0.4715 -0.4715 -0.4622 -0.4622 0.0301 0.0301 0.0355 0.0355 0.3159 0.3159 0.3200 0.3200 0.9225 0.9225 0.9225 0.9225 1.1819 1.1819 1.2021 1.2021 1.4060 1.4060 1.4217 1.4217 1.7693 1.7693 1.7737 1.7737 1.8778 1.8778 1.8807 1.8807 7.4929 7.4929 7.5782 7.5782 7.7069 7.7069 7.7225 7.7225 7.7935 7.7935 k = 0.1724 0.2986 0.8547 ( 8544 PWs) bands (ev): -10.9361 -10.9361 -10.9349 -10.9349 -10.8371 -10.8371 -10.8350 -10.8350 -10.8244 -10.8244 -10.8211 -10.8211 -0.7945 -0.7945 -0.7902 -0.7902 -0.4709 -0.4709 -0.4631 -0.4631 0.0601 0.0601 0.0624 0.0624 0.2881 0.2881 0.2897 0.2897 0.9235 0.9235 0.9247 0.9247 1.1783 1.1783 1.1952 1.1952 1.4088 1.4088 1.4238 1.4238 1.7622 1.7622 1.7665 1.7665 1.8643 1.8643 1.8680 1.8680 7.5015 7.5015 7.5751 7.5751 7.7084 7.7084 7.7152 7.7152 7.7889 7.7889 k = 0.1609 0.2787 0.8547 ( 8536 PWs) bands (ev): -10.9388 -10.9388 -10.9379 -10.9379 -10.8353 -10.8353 -10.8333 -10.8333 -10.8235 -10.8235 -10.8206 -10.8206 -0.7779 -0.7779 -0.7740 -0.7740 -0.4707 -0.4707 -0.4643 -0.4643 0.0827 0.0827 0.0840 0.0840 0.2673 0.2673 0.2688 0.2688 0.9245 0.9245 0.9267 0.9267 1.1711 1.1711 1.1843 1.1843 1.4119 1.4119 1.4253 1.4253 1.7556 1.7556 1.7600 1.7600 1.8505 1.8505 1.8549 1.8549 7.5096 7.5096 7.5712 7.5712 7.7084 7.7084 7.7102 7.7102 7.7864 7.7864 k = 0.1494 0.2588 0.8547 ( 8542 PWs) bands (ev): -10.9415 -10.9415 -10.9408 -10.9408 -10.8335 -10.8335 -10.8316 -10.8316 -10.8227 -10.8227 -10.8200 -10.8200 -0.7595 -0.7595 -0.7559 -0.7559 -0.4711 -0.4711 -0.4658 -0.4658 0.0902 0.0902 0.0948 0.0948 0.2598 0.2598 0.2641 0.2641 0.9254 0.9254 0.9287 0.9287 1.1607 1.1607 1.1703 1.1703 1.4139 1.4139 1.4253 1.4253 1.7498 1.7498 1.7545 1.7545 1.8369 1.8369 1.8419 1.8419 7.5168 7.5168 7.5663 7.5663 7.7028 7.7028 7.7123 7.7123 7.7859 7.7859 k = 0.1379 0.2389 0.8547 ( 8534 PWs) bands (ev): -10.9441 -10.9441 -10.9436 -10.9436 -10.8318 -10.8318 -10.8300 -10.8300 -10.8219 -10.8219 -10.8195 -10.8195 -0.7393 -0.7393 -0.7360 -0.7360 -0.4718 -0.4718 -0.4675 -0.4675 0.0820 0.0820 0.0879 0.0879 0.2714 0.2714 0.2767 0.2767 0.9262 0.9262 0.9305 0.9305 1.1479 1.1479 1.1540 1.1540 1.4139 1.4139 1.4232 1.4232 1.7450 1.7450 1.7501 1.7501 1.8239 1.8239 1.8295 1.8295 7.5226 7.5226 7.5608 7.5608 7.6991 7.6991 7.7148 7.7148 7.7871 7.7871 k = 0.1264 0.2190 0.8547 ( 8530 PWs) bands (ev): -10.9466 -10.9466 -10.9462 -10.9462 -10.8301 -10.8301 -10.8285 -10.8285 -10.8211 -10.8211 -10.8190 -10.8190 -0.7176 -0.7176 -0.7146 -0.7146 -0.4728 -0.4728 -0.4693 -0.4693 0.0619 0.0619 0.0675 0.0675 0.2977 0.2977 0.3024 0.3024 0.9271 0.9271 0.9321 0.9321 1.1329 1.1329 1.1360 1.1360 1.4111 1.4111 1.4183 1.4183 1.7414 1.7414 1.7469 1.7469 1.8119 1.8119 1.8178 1.8178 7.5266 7.5266 7.5548 7.5548 7.6977 7.6977 7.7178 7.7178 7.7898 7.7898 k = 0.1149 0.1991 0.8547 ( 8530 PWs) bands (ev): -10.9490 -10.9490 -10.9487 -10.9487 -10.8286 -10.8286 -10.8272 -10.8272 -10.8203 -10.8203 -10.8185 -10.8185 -0.6944 -0.6944 -0.6917 -0.6917 -0.4740 -0.4740 -0.4711 -0.4711 0.0357 0.0357 0.0403 0.0403 0.3318 0.3318 0.3355 0.3355 0.9280 0.9280 0.9337 0.9337 1.1163 1.1163 1.1167 1.1167 1.4052 1.4052 1.4106 1.4106 1.7392 1.7392 1.7449 1.7449 1.8011 1.8011 1.8071 1.8071 7.5286 7.5286 7.5484 7.5484 7.6989 7.6989 7.7211 7.7211 7.7934 7.7934 k = 0.1034 0.1792 0.8547 ( 8526 PWs) bands (ev): -10.9512 -10.9512 -10.9510 -10.9510 -10.8272 -10.8272 -10.8261 -10.8261 -10.8195 -10.8195 -10.8181 -10.8181 -0.6701 -0.6701 -0.6677 -0.6677 -0.4752 -0.4752 -0.4729 -0.4729 0.0065 0.0065 0.0101 0.0101 0.3696 0.3696 0.3722 0.3722 0.9290 0.9290 0.9351 0.9351 1.0964 1.0964 1.0982 1.0982 1.3962 1.3962 1.4000 1.4000 1.7384 1.7384 1.7442 1.7442 1.7916 1.7916 1.7976 1.7976 7.5288 7.5288 7.5421 7.5421 7.7026 7.7026 7.7247 7.7247 7.7977 7.7977 k = 0.0920 0.1593 0.8547 ( 8526 PWs) bands (ev): -10.9532 -10.9532 -10.9531 -10.9531 -10.8260 -10.8260 -10.8251 -10.8251 -10.8187 -10.8187 -10.8177 -10.8177 -0.6449 -0.6449 -0.6429 -0.6429 -0.4764 -0.4764 -0.4746 -0.4746 -0.0237 -0.0237 -0.0210 -0.0210 0.4089 0.4089 0.4106 0.4106 0.9300 0.9300 0.9364 0.9364 1.0756 1.0756 1.0789 1.0789 1.3846 1.3846 1.3871 1.3871 1.7389 1.7389 1.7445 1.7445 1.7835 1.7835 1.7892 1.7892 7.5274 7.5274 7.5360 7.5360 7.7084 7.7084 7.7286 7.7286 7.8022 7.8022 k = 0.0805 0.1394 0.8547 ( 8522 PWs) bands (ev): -10.9551 -10.9551 -10.9550 -10.9550 -10.8249 -10.8249 -10.8242 -10.8242 -10.8180 -10.8180 -10.8172 -10.8172 -0.6192 -0.6192 -0.6175 -0.6175 -0.4775 -0.4775 -0.4761 -0.4761 -0.0542 -0.0542 -0.0522 -0.0522 0.4485 0.4485 0.4496 0.4496 0.9310 0.9310 0.9374 0.9374 1.0544 1.0544 1.0588 1.0588 1.3711 1.3711 1.3726 1.3726 1.7404 1.7404 1.7455 1.7455 1.7768 1.7768 1.7820 1.7820 7.5250 7.5250 7.5303 7.5303 7.7157 7.7157 7.7328 7.7328 7.8065 7.8065 k = 0.0690 0.1195 0.8547 ( 8526 PWs) bands (ev): -10.9567 -10.9567 -10.9566 -10.9566 -10.8239 -10.8239 -10.8235 -10.8235 -10.8173 -10.8173 -10.8168 -10.8168 -0.5935 -0.5935 -0.5922 -0.5922 -0.4784 -0.4784 -0.4773 -0.4773 -0.0841 -0.0841 -0.0828 -0.0828 0.4875 0.4875 0.4880 0.4880 0.9319 0.9319 0.9380 0.9380 1.0332 1.0332 1.0381 1.0381 1.3566 1.3566 1.3574 1.3574 1.7426 1.7426 1.7471 1.7471 1.7714 1.7714 1.7759 1.7759 7.5220 7.5220 7.5251 7.5251 7.7237 7.7237 7.7370 7.7370 7.8104 7.8104 k = 0.0575 0.0995 0.8547 ( 8524 PWs) bands (ev): -10.9581 -10.9581 -10.9581 -10.9581 -10.8232 -10.8232 -10.8229 -10.8229 -10.8168 -10.8168 -10.8164 -10.8164 -0.5686 -0.5686 -0.5676 -0.5676 -0.4789 -0.4789 -0.4781 -0.4781 -0.1129 -0.1129 -0.1120 -0.1120 0.5249 0.5249 0.5251 0.5251 0.9326 0.9326 0.9381 0.9381 1.0126 1.0126 1.0173 1.0173 1.3420 1.3420 1.3424 1.3424 1.7451 1.7451 1.7487 1.7487 1.7673 1.7673 1.7709 1.7709 7.5189 7.5189 7.5206 7.5206 7.7320 7.7320 7.7412 7.7412 7.8137 7.8137 k = 0.0460 0.0796 0.8547 ( 8520 PWs) bands (ev): -10.9593 -10.9593 -10.9592 -10.9592 -10.8225 -10.8225 -10.8224 -10.8224 -10.8163 -10.8163 -10.8161 -10.8161 -0.5454 -0.5454 -0.5447 -0.5447 -0.4788 -0.4788 -0.4782 -0.4782 -0.1396 -0.1396 -0.1392 -0.1392 0.5596 0.5596 0.5597 0.5597 0.9327 0.9327 0.9372 0.9372 0.9933 0.9933 0.9974 0.9974 1.3285 1.3285 1.3287 1.3287 1.7475 1.7475 1.7500 1.7500 1.7644 1.7644 1.7669 1.7669 7.5160 7.5160 7.5168 7.5168 7.7397 7.7397 7.7452 7.7452 7.8161 7.8161 k = 0.0345 0.0597 0.8547 ( 8526 PWs) bands (ev): -10.9602 -10.9602 -10.9602 -10.9602 -10.8221 -10.8221 -10.8220 -10.8220 -10.8159 -10.8159 -10.8158 -10.8158 -0.5256 -0.5256 -0.5252 -0.5252 -0.4775 -0.4775 -0.4772 -0.4772 -0.1634 -0.1634 -0.1632 -0.1632 0.5903 0.5903 0.5904 0.5904 0.9316 0.9316 0.9346 0.9346 0.9771 0.9771 0.9799 0.9799 1.3169 1.3169 1.3169 1.3169 1.7495 1.7495 1.7509 1.7509 1.7627 1.7627 1.7641 1.7641 7.5135 7.5135 7.5138 7.5138 7.7462 7.7462 7.7489 7.7489 7.8176 7.8176 k = 0.0230 0.0398 0.8547 ( 8526 PWs) bands (ev): -10.9608 -10.9608 -10.9608 -10.9608 -10.8218 -10.8218 -10.8218 -10.8218 -10.8156 -10.8156 -10.8156 -10.8156 -0.5112 -0.5112 -0.5111 -0.5111 -0.4744 -0.4744 -0.4743 -0.4743 -0.1826 -0.1826 -0.1825 -0.1825 0.6151 0.6151 0.6151 0.6151 0.9286 0.9286 0.9298 0.9298 0.9660 0.9660 0.9671 0.9671 1.3080 1.3080 1.3080 1.3080 1.7508 1.7508 1.7513 1.7513 1.7619 1.7619 1.7624 1.7624 7.5115 7.5115 7.5116 7.5116 7.7512 7.7512 7.7521 7.7521 7.8183 7.8184 k = 0.0115 0.0199 0.8547 ( 8526 PWs) bands (ev): -10.9612 -10.9612 -10.9612 -10.9612 -10.8216 -10.8216 -10.8216 -10.8216 -10.8154 -10.8154 -10.8154 -10.8154 -0.5036 -0.5036 -0.5036 -0.5036 -0.4704 -0.4704 -0.4704 -0.4704 -0.1953 -0.1953 -0.1953 -0.1953 0.6315 0.6315 0.6315 0.6315 0.9244 0.9244 0.9245 0.9245 0.9603 0.9603 0.9604 0.9604 1.3025 1.3025 1.3025 1.3025 1.7513 1.7513 1.7514 1.7514 1.7616 1.7616 1.7616 1.7616 7.5103 7.5103 7.5104 7.5104 7.7541 7.7541 7.7542 7.7542 7.8185 7.8186 k = 0.0000 0.0000 0.8547 ( 8538 PWs) bands (ev): -10.9614 -10.9614 -10.9614 -10.9614 -10.8215 -10.8215 -10.8215 -10.8215 -10.8154 -10.8154 -10.8154 -10.8154 -0.5014 -0.5014 -0.5014 -0.5014 -0.4685 -0.4685 -0.4685 -0.4685 -0.1998 -0.1998 -0.1998 -0.1998 0.6373 0.6373 0.6373 0.6373 0.9222 0.9222 0.9222 0.9222 0.9586 0.9586 0.9586 0.9586 1.3006 1.3006 1.3006 1.3006 1.7514 1.7514 1.7514 1.7514 1.7615 1.7615 1.7615 1.7615 7.5099 7.5099 7.5099 7.5099 7.7550 7.7550 7.7550 7.7550 7.8184 7.8184 k = 0.5000 0.2887 0.8547 ( 8540 PWs) bands (ev): -10.9157 -10.9157 -10.9157 -10.9157 -10.8528 -10.8528 -10.8528 -10.8528 -10.8237 -10.8237 -10.8237 -10.8237 -0.9076 -0.9076 -0.9076 -0.9076 -0.3704 -0.3704 -0.3704 -0.3704 -0.0862 -0.0862 -0.0862 -0.0862 0.3665 0.3665 0.3665 0.3665 0.8883 0.8883 0.8883 0.8883 1.2509 1.2509 1.2509 1.2509 1.4135 1.4135 1.4135 1.4135 1.7629 1.7629 1.7629 1.7629 1.9773 1.9773 1.9773 1.9773 7.5003 7.5003 7.5003 7.5003 7.7058 7.7058 7.7058 7.7058 7.9125 7.9125 k = 0.5000 0.2887 0.8310 ( 8528 PWs) bands (ev): -10.9272 -10.9272 -10.9078 -10.9078 -10.8572 -10.8572 -10.8465 -10.8465 -10.8257 -10.8257 -10.8205 -10.8205 -0.9314 -0.9314 -0.8816 -0.8816 -0.4018 -0.4018 -0.3384 -0.3384 -0.0957 -0.0957 -0.0774 -0.0774 0.3597 0.3597 0.3752 0.3752 0.8803 0.8803 0.8918 0.8918 1.2344 1.2344 1.2669 1.2669 1.4085 1.4085 1.4218 1.4218 1.7605 1.7605 1.7635 1.7635 1.9609 1.9609 1.9941 1.9941 7.4740 7.4740 7.5235 7.5235 7.6882 7.6882 7.7223 7.7223 7.8838 7.8838 k = 0.5000 0.2887 0.8072 ( 8524 PWs) bands (ev): -10.9405 -10.9405 -10.9056 -10.9056 -10.8569 -10.8569 -10.8416 -10.8416 -10.8244 -10.8244 -10.8164 -10.8164 -0.9527 -0.9527 -0.8536 -0.8536 -0.4322 -0.4322 -0.3061 -0.3061 -0.1059 -0.1059 -0.0694 -0.0694 0.3554 0.3554 0.3855 0.3855 0.8682 0.8682 0.8908 0.8908 1.2179 1.2179 1.2814 1.2814 1.4077 1.4077 1.4328 1.4328 1.7564 1.7564 1.7622 1.7622 1.9454 1.9454 2.0110 2.0110 7.4462 7.4462 7.5410 7.5410 7.6724 7.6724 7.7349 7.7349 7.8578 7.8578 k = 0.5000 0.2887 0.7835 ( 8522 PWs) bands (ev): -10.9550 -10.9550 -10.9094 -10.9094 -10.8519 -10.8519 -10.8404 -10.8404 -10.8183 -10.8183 -10.8117 -10.8117 -0.9715 -0.9715 -0.8238 -0.8238 -0.4611 -0.4611 -0.2740 -0.2740 -0.1169 -0.1169 -0.0622 -0.0622 0.3539 0.3539 0.3970 0.3970 0.8525 0.8525 0.8856 0.8856 1.2018 1.2018 1.2936 1.2936 1.4114 1.4114 1.4455 1.4455 1.7507 1.7507 1.7590 1.7590 1.9314 1.9314 2.0274 2.0274 7.4177 7.4177 7.5485 7.5485 7.6616 7.6616 7.7400 7.7400 7.8391 7.8391 k = 0.5000 0.2887 0.7597 ( 8518 PWs) bands (ev): -10.9702 -10.9702 -10.9168 -10.9168 -10.8466 -10.8466 -10.8390 -10.8390 -10.8095 -10.8095 -10.8062 -10.8062 -0.9878 -0.9878 -0.7928 -0.7928 -0.4879 -0.4879 -0.2424 -0.2424 -0.1288 -0.1288 -0.0559 -0.0559 0.3557 0.3557 0.4092 0.4092 0.8337 0.8337 0.8768 0.8768 1.1860 1.1860 1.3032 1.3032 1.4193 1.4193 1.4592 1.4592 1.7437 1.7437 1.7543 1.7543 1.9191 1.9191 2.0432 2.0432 7.3889 7.3889 7.5424 7.5424 7.6566 7.6566 7.7352 7.7352 7.8327 7.8327 k = 0.5000 0.2887 0.7360 ( 8518 PWs) bands (ev): -10.9860 -10.9860 -10.9260 -10.9260 -10.8466 -10.8466 -10.8325 -10.8325 -10.8008 -10.8008 -10.7987 -10.7987 -1.0013 -1.0013 -0.7615 -0.7615 -0.5114 -0.5114 -0.2117 -0.2117 -0.1417 -0.1417 -0.0505 -0.0505 0.3610 0.3610 0.4217 0.4217 0.8126 0.8126 0.8653 0.8653 1.1704 1.1704 1.3105 1.3105 1.4303 1.4303 1.4728 1.4728 1.7359 1.7359 1.7483 1.7483 1.9091 1.9091 2.0579 2.0579 7.3603 7.3603 7.5247 7.5247 7.6492 7.6492 7.7286 7.7286 7.8367 7.8367 k = 0.5000 0.2887 0.7123 ( 8526 PWs) bands (ev): -11.0022 -11.0022 -10.9360 -10.9360 -10.8485 -10.8485 -10.8248 -10.8248 -10.7932 -10.7932 -10.7886 -10.7886 -1.0122 -1.0122 -0.7317 -0.7317 -0.5300 -0.5300 -0.1824 -0.1824 -0.1555 -0.1555 -0.0463 -0.0463 0.3701 0.3701 0.4342 0.4342 0.7899 0.7899 0.8521 0.8521 1.1549 1.1549 1.3161 1.3161 1.4427 1.4427 1.4852 1.4852 1.7280 1.7280 1.7418 1.7418 1.9013 1.9013 2.0713 2.0713 7.3320 7.3320 7.4998 7.4998 7.6300 7.6300 7.7306 7.7306 7.8456 7.8456 k = 0.5000 0.2887 0.6885 ( 8542 PWs) bands (ev): -11.0187 -11.0187 -10.9463 -10.9463 -10.8506 -10.8506 -10.8177 -10.8177 -10.7848 -10.7848 -10.7782 -10.7782 -1.0203 -1.0203 -0.7068 -0.7068 -0.5401 -0.5401 -0.1717 -0.1717 -0.1532 -0.1532 -0.0434 -0.0434 0.3830 0.3830 0.4460 0.4460 0.7662 0.7662 0.8384 0.8384 1.1391 1.1391 1.3208 1.3208 1.4545 1.4545 1.4952 1.4952 1.7208 1.7208 1.7360 1.7360 1.8960 1.8960 2.0832 2.0832 7.3042 7.3042 7.4710 7.4710 7.6008 7.6008 7.7396 7.7396 7.8559 7.8559 k = 0.5000 0.2887 0.6648 ( 8550 PWs) bands (ev): -11.0354 -11.0354 -10.9569 -10.9569 -10.8527 -10.8527 -10.8114 -10.8114 -10.7757 -10.7757 -10.7676 -10.7676 -1.0257 -1.0257 -0.6919 -0.6919 -0.5368 -0.5368 -0.1878 -0.1878 -0.1269 -0.1269 -0.0418 -0.0418 0.3996 0.3996 0.4570 0.4570 0.7422 0.7422 0.8254 0.8254 1.1229 1.1229 1.3248 1.3248 1.4636 1.4636 1.5015 1.5015 1.7152 1.7152 1.7324 1.7324 1.8929 1.8929 2.0933 2.0933 7.2771 7.2771 7.4397 7.4397 7.5667 7.5667 7.7506 7.7506 7.8659 7.8659 k = 0.5000 0.2887 0.6410 ( 8554 PWs) bands (ev): -11.0524 -11.0524 -10.9676 -10.9676 -10.8546 -10.8546 -10.8059 -10.8059 -10.7660 -10.7660 -10.7570 -10.7570 -1.0282 -1.0282 -0.6896 -0.6896 -0.5174 -0.5174 -0.2055 -0.2055 -0.1020 -0.1020 -0.0418 -0.0418 0.4189 0.4189 0.4669 0.4669 0.7185 0.7185 0.8142 0.8142 1.1061 1.1061 1.3285 1.3285 1.4685 1.4685 1.5028 1.5028 1.7123 1.7123 1.7324 1.7324 1.8919 1.8919 2.1015 2.1015 7.2505 7.2505 7.4068 7.4068 7.5306 7.5306 7.7606 7.7606 7.8744 7.8744 k = 0.5000 0.2887 0.6173 ( 8546 PWs) bands (ev): -11.0694 -11.0694 -10.9784 -10.9784 -10.8565 -10.8565 -10.8010 -10.8010 -10.7560 -10.7560 -10.7465 -10.7465 -1.0279 -1.0279 -0.6965 -0.6965 -0.4855 -0.4855 -0.2246 -0.2246 -0.0788 -0.0788 -0.0435 -0.0435 0.4391 0.4391 0.4772 0.4772 0.6957 0.6957 0.8056 0.8056 1.0887 1.0887 1.3318 1.3318 1.4679 1.4679 1.4988 1.4988 1.7127 1.7127 1.7373 1.7373 1.8926 1.8926 2.1076 2.1076 7.2245 7.2245 7.3729 7.3729 7.4936 7.4936 7.7685 7.7685 7.8804 7.8804 k = 0.5000 0.2887 0.5936 ( 8546 PWs) bands (ev): -11.0865 -11.0865 -10.9891 -10.9891 -10.8581 -10.8581 -10.7965 -10.7965 -10.7460 -10.7460 -10.7360 -10.7360 -1.0248 -1.0248 -0.7078 -0.7078 -0.4461 -0.4461 -0.2450 -0.2450 -0.0574 -0.0574 -0.0466 -0.0466 0.4548 0.4548 0.4921 0.4921 0.6743 0.6743 0.8005 0.8005 1.0707 1.0707 1.3341 1.3341 1.4614 1.4614 1.4898 1.4898 1.7169 1.7169 1.7470 1.7470 1.8949 1.8949 2.1115 2.1115 7.1990 7.1990 7.3385 7.3385 7.4568 7.4568 7.7736 7.7736 7.8822 7.8822 k = 0.5000 0.2887 0.5698 ( 8554 PWs) bands (ev): -11.1036 -11.1036 -10.9998 -10.9998 -10.8596 -10.8596 -10.7922 -10.7922 -10.7360 -10.7360 -10.7258 -10.7258 -1.0189 -1.0189 -0.7206 -0.7206 -0.4024 -0.4024 -0.2665 -0.2665 -0.0525 -0.0525 -0.0366 -0.0366 0.4616 0.4616 0.5155 0.5155 0.6550 0.6550 0.7988 0.7988 1.0523 1.0523 1.3344 1.3344 1.4499 1.4499 1.4775 1.4775 1.7243 1.7243 1.7608 1.7608 1.8982 1.8982 2.1131 2.1131 7.1739 7.1739 7.3037 7.3037 7.4206 7.4206 7.7754 7.7754 7.8766 7.8766 k = 0.5000 0.2887 0.5461 ( 8554 PWs) bands (ev): -11.1206 -11.1206 -11.0103 -11.0103 -10.8610 -10.8610 -10.7883 -10.7883 -10.7262 -10.7262 -10.7156 -10.7156 -1.0101 -1.0101 -0.7333 -0.7333 -0.3562 -0.3562 -0.2892 -0.2892 -0.0593 -0.0593 -0.0182 -0.0182 0.4623 0.4623 0.5442 0.5442 0.6384 0.6384 0.8004 0.8004 1.0337 1.0337 1.3307 1.3307 1.4358 1.4358 1.4638 1.4638 1.7343 1.7343 1.7776 1.7776 1.9025 1.9025 2.1124 2.1124 7.1488 7.1488 7.2689 7.2689 7.3858 7.3858 7.7731 7.7731 7.8607 7.8607 k = 0.5000 0.2887 0.5223 ( 8550 PWs) bands (ev): -11.1375 -11.1375 -11.0208 -11.0208 -10.8622 -10.8622 -10.7845 -10.7845 -10.7165 -10.7165 -10.7057 -10.7057 -0.9986 -0.9986 -0.7454 -0.7454 -0.3135 -0.3135 -0.3078 -0.3078 -0.0678 -0.0678 -0.0011 -0.0011 0.4599 0.4599 0.5745 0.5745 0.6257 0.6257 0.8043 0.8043 1.0153 1.0153 1.3195 1.3195 1.4229 1.4229 1.4503 1.4503 1.7459 1.7459 1.7962 1.7962 1.9074 1.9074 2.1092 2.1092 7.1237 7.1237 7.2341 7.2341 7.3528 7.3528 7.7655 7.7655 7.8366 7.8366 k = 0.5000 0.2887 0.4986 ( 8564 PWs) bands (ev): -11.1542 -11.1542 -11.0311 -11.0311 -10.8632 -10.8632 -10.7810 -10.7810 -10.7072 -10.7072 -10.6960 -10.6960 -0.9842 -0.9842 -0.7564 -0.7564 -0.3376 -0.3376 -0.2601 -0.2601 -0.0778 -0.0778 0.0143 0.0143 0.4560 0.4560 0.5993 0.5993 0.6228 0.6228 0.8091 0.8091 0.9978 0.9978 1.2983 1.2983 1.4136 1.4136 1.4394 1.4394 1.7583 1.7583 1.8156 1.8156 1.9129 1.9129 2.1037 2.1037 7.0982 7.0982 7.1996 7.1996 7.3222 7.3222 7.7498 7.7498 7.8118 7.8118 k = 0.5000 0.2887 0.4748 ( 8556 PWs) bands (ev): -11.1706 -11.1706 -11.0412 -11.0412 -10.8641 -10.8641 -10.7776 -10.7776 -10.6981 -10.6981 -10.6865 -10.6865 -0.9670 -0.9670 -0.7662 -0.7662 -0.3629 -0.3629 -0.2124 -0.2124 -0.0886 -0.0886 0.0283 0.0283 0.4519 0.4519 0.6017 0.6017 0.6459 0.6459 0.8133 0.8133 0.9822 0.9822 1.2681 1.2681 1.4055 1.4055 1.4344 1.4344 1.7711 1.7711 1.8345 1.8345 1.9191 1.9191 2.0959 2.0959 7.0724 7.0724 7.1656 7.1656 7.2942 7.2942 7.7244 7.7244 7.7913 7.7913 k = 0.5000 0.2887 0.4511 ( 8526 PWs) bands (ev): -11.1868 -11.1868 -11.0511 -11.0511 -10.8648 -10.8648 -10.7744 -10.7744 -10.6893 -10.6893 -10.6773 -10.6773 -0.9471 -0.9471 -0.7747 -0.7747 -0.3887 -0.3887 -0.1673 -0.1673 -0.0987 -0.0987 0.0406 0.0406 0.4488 0.4488 0.6000 0.6000 0.6759 0.6759 0.8146 0.8146 0.9700 0.9700 1.2318 1.2318 1.3959 1.3959 1.4367 1.4367 1.7838 1.7838 1.8516 1.8516 1.9264 1.9264 2.0861 2.0861 7.0460 7.0460 7.1326 7.1326 7.2689 7.2689 7.6923 7.6923 7.7736 7.7736 k = 0.5000 0.2887 0.4274 ( 8522 PWs) bands (ev): -11.2025 -11.2025 -11.0607 -11.0607 -10.8654 -10.8654 -10.7714 -10.7714 -10.6808 -10.6808 -10.6683 -10.6683 -0.9245 -0.9245 -0.7819 -0.7819 -0.4149 -0.4149 -0.1360 -0.1360 -0.0976 -0.0976 0.0512 0.0512 0.4475 0.4475 0.6014 0.6014 0.7048 0.7048 0.8111 0.8111 0.9626 0.9626 1.1919 1.1919 1.3862 1.3862 1.4440 1.4440 1.7959 1.7959 1.8654 1.8654 1.9353 1.9353 2.0745 2.0745 7.0188 7.0188 7.1013 7.1013 7.2460 7.2460 7.6576 7.6576 7.7553 7.7553 k = 0.5000 0.2887 0.4036 ( 8536 PWs) bands (ev): -11.2178 -11.2178 -11.0701 -11.0701 -10.8659 -10.8659 -10.7686 -10.7686 -10.6726 -10.6726 -10.6597 -10.6597 -0.8992 -0.8992 -0.7880 -0.7880 -0.4412 -0.4412 -0.1377 -0.1377 -0.0666 -0.0666 0.0602 0.0602 0.4490 0.4490 0.6063 0.6063 0.7303 0.7303 0.8021 0.8021 0.9606 0.9606 1.1510 1.1510 1.3778 1.3778 1.4543 1.4543 1.8071 1.8071 1.8749 1.8749 1.9457 1.9457 2.0621 2.0621 6.9907 6.9907 7.0727 7.0727 7.2252 7.2252 7.6225 7.6225 7.7344 7.7344 k = 0.5000 0.2887 0.3799 ( 8536 PWs) bands (ev): -11.2326 -11.2326 -11.0792 -11.0792 -10.8663 -10.8663 -10.7659 -10.7659 -10.6649 -10.6649 -10.6514 -10.6514 -0.8713 -0.8713 -0.7930 -0.7930 -0.4674 -0.4674 -0.1490 -0.1490 -0.0299 -0.0299 0.0677 0.0677 0.4544 0.4544 0.6146 0.6146 0.7495 0.7495 0.7891 0.7891 0.9632 0.9632 1.1116 1.1116 1.3713 1.3713 1.4667 1.4667 1.8169 1.8169 1.8801 1.8801 1.9558 1.9558 2.0505 2.0505 6.9616 6.9616 7.0476 7.0476 7.2060 7.2060 7.5880 7.5880 7.7109 7.7109 k = 0.5000 0.2887 0.3561 ( 8532 PWs) bands (ev): -11.2469 -11.2469 -11.0879 -11.0879 -10.8666 -10.8666 -10.7634 -10.7634 -10.6575 -10.6575 -10.6435 -10.6435 -0.8411 -0.8411 -0.7968 -0.7968 -0.4933 -0.4933 -0.1613 -0.1613 0.0028 0.0028 0.0739 0.0739 0.4644 0.4644 0.6259 0.6259 0.7546 0.7546 0.7786 0.7786 0.9685 0.9685 1.0776 1.0776 1.3669 1.3669 1.4807 1.4807 1.8245 1.8245 1.8819 1.8819 1.9615 1.9615 2.0434 2.0434 6.9318 6.9318 7.0265 7.0265 7.1879 7.1879 7.5547 7.5547 7.6857 7.6857 k = 0.5000 0.2887 0.3324 ( 8542 PWs) bands (ev): -11.2605 -11.2605 -11.0963 -11.0963 -10.8668 -10.8668 -10.7610 -10.7610 -10.6504 -10.6504 -10.6360 -10.6360 -0.8111 -0.8111 -0.7972 -0.7972 -0.5186 -0.5186 -0.1728 -0.1728 0.0295 0.0295 0.0788 0.0788 0.4793 0.4793 0.6396 0.6396 0.7408 0.7408 0.7735 0.7735 0.9752 0.9752 1.0536 1.0536 1.3646 1.3646 1.4958 1.4958 1.8289 1.8289 1.8814 1.8814 1.9585 1.9585 2.0448 2.0448 6.9018 6.9018 7.0097 7.0097 7.1708 7.1708 7.5229 7.5229 7.6601 7.6601 k = 0.5000 0.2887 0.3086 ( 8538 PWs) bands (ev): -11.2734 -11.2734 -11.1043 -11.1043 -10.8670 -10.8670 -10.7589 -10.7589 -10.6438 -10.6438 -10.6289 -10.6289 -0.8051 -0.8051 -0.7704 -0.7704 -0.5432 -0.5432 -0.1831 -0.1831 0.0490 0.0490 0.0827 0.0827 0.4983 0.4983 0.6545 0.6545 0.7219 0.7219 0.7595 0.7595 0.9823 0.9823 1.0433 1.0433 1.3644 1.3644 1.5117 1.5117 1.8288 1.8288 1.8787 1.8787 1.9480 1.9480 2.0543 2.0543 6.8723 6.8723 6.9969 6.9969 7.1543 7.1543 7.4926 7.4926 7.6344 7.6344 k = 0.5000 0.2887 0.2849 ( 8540 PWs) bands (ev): -11.2857 -11.2857 -11.1118 -11.1118 -10.8670 -10.8670 -10.7569 -10.7569 -10.6376 -10.6376 -10.6222 -10.6222 -0.8069 -0.8069 -0.7333 -0.7333 -0.5668 -0.5668 -0.1914 -0.1914 0.0615 0.0615 0.0855 0.0855 0.5189 0.5189 0.6675 0.6675 0.7044 0.7044 0.7358 0.7358 0.9901 0.9901 1.0462 1.0462 1.3659 1.3659 1.5281 1.5281 1.8236 1.8236 1.8716 1.8716 1.9366 1.9366 2.0681 2.0681 6.8440 6.8440 6.9881 6.9881 7.1385 7.1385 7.4641 7.4641 7.6089 7.6089 k = 0.5000 0.2887 0.2612 ( 8534 PWs) bands (ev): -11.2971 -11.2971 -11.1189 -11.1189 -10.8670 -10.8670 -10.7550 -10.7550 -10.6318 -10.6318 -10.6160 -10.6160 -0.8088 -0.8088 -0.6936 -0.6936 -0.5890 -0.5890 -0.1974 -0.1974 0.0675 0.0675 0.0872 0.0872 0.5358 0.5358 0.6599 0.6599 0.7010 0.7010 0.7168 0.7168 0.9988 0.9988 1.0587 1.0587 1.3689 1.3689 1.5446 1.5446 1.8137 1.8137 1.8564 1.8564 1.9305 1.9305 2.0834 2.0834 6.8173 6.8173 6.9830 6.9830 7.1234 7.1234 7.4374 7.4374 7.5839 7.5839 k = 0.5000 0.2887 0.2374 ( 8532 PWs) bands (ev): -11.3078 -11.3078 -11.1254 -11.1254 -10.8670 -10.8670 -10.7533 -10.7533 -10.6265 -10.6265 -10.6102 -10.6102 -0.8107 -0.8107 -0.6530 -0.6530 -0.6086 -0.6086 -0.2009 -0.2009 0.0683 0.0683 0.0873 0.0873 0.5420 0.5420 0.6232 0.6232 0.7143 0.7143 0.7185 0.7185 1.0074 1.0074 1.0780 1.0780 1.3730 1.3730 1.5608 1.5608 1.7998 1.7998 1.8332 1.8332 1.9305 1.9305 2.0989 2.0989 6.7927 6.7927 6.9813 6.9813 7.1094 7.1094 7.4126 7.4126 7.5595 7.5595 k = 0.5000 0.2887 0.2137 ( 8538 PWs) bands (ev): -11.3175 -11.3175 -11.1315 -11.1315 -10.8670 -10.8670 -10.7518 -10.7518 -10.6216 -10.6216 -10.6049 -10.6049 -0.8125 -0.8125 -0.6351 -0.6351 -0.6019 -0.6019 -0.2015 -0.2015 0.0645 0.0645 0.0860 0.0860 0.5315 0.5315 0.5809 0.5809 0.7311 0.7311 0.7382 0.7382 1.0153 1.0153 1.1023 1.1023 1.3778 1.3778 1.5760 1.5760 1.7824 1.7824 1.8050 1.8050 1.9339 1.9339 2.1139 2.1139 6.7703 6.7703 6.9825 6.9825 7.0968 7.0968 7.3898 7.3898 7.5358 7.5358 k = 0.5000 0.2887 0.1899 ( 8536 PWs) bands (ev): -11.3264 -11.3264 -11.1370 -11.1370 -10.8669 -10.8669 -10.7505 -10.7505 -10.6172 -10.6172 -10.6001 -10.6001 -0.8144 -0.8144 -0.6505 -0.6505 -0.5585 -0.5585 -0.1992 -0.1992 0.0564 0.0564 0.0835 0.0835 0.4987 0.4987 0.5496 0.5496 0.7468 0.7468 0.7702 0.7702 1.0224 1.0224 1.1303 1.1303 1.3830 1.3830 1.5899 1.5899 1.7610 1.7610 1.7755 1.7755 1.9388 1.9388 2.1279 2.1279 6.7504 6.7504 6.9861 6.9861 7.0862 7.0862 7.3691 7.3691 7.5131 7.5131 k = 0.5000 0.2887 0.1662 ( 8532 PWs) bands (ev): -11.3343 -11.3343 -11.1419 -11.1419 -10.8668 -10.8668 -10.7493 -10.7493 -10.6133 -10.6133 -10.5959 -10.5959 -0.8163 -0.8163 -0.6663 -0.6663 -0.5114 -0.5114 -0.1940 -0.1940 0.0448 0.0448 0.0793 0.0793 0.4511 0.4511 0.5294 0.5294 0.7612 0.7612 0.8081 0.8081 1.0286 1.0286 1.1614 1.1614 1.3883 1.3883 1.6014 1.6014 1.7324 1.7324 1.7504 1.7504 1.9441 1.9441 2.1407 2.1407 6.7331 6.7331 6.9909 6.9909 7.0784 7.0784 7.3507 7.3507 7.4919 7.4919 k = 0.5000 0.2887 0.1425 ( 8520 PWs) bands (ev): -11.3412 -11.3412 -11.1462 -11.1462 -10.8667 -10.8667 -10.7483 -10.7483 -10.6099 -10.6099 -10.5922 -10.5922 -0.8181 -0.8181 -0.6805 -0.6805 -0.4629 -0.4629 -0.1858 -0.1858 0.0301 0.0301 0.0730 0.0730 0.4008 0.4008 0.5128 0.5128 0.7739 0.7739 0.8478 0.8478 1.0337 1.0337 1.1949 1.1949 1.3933 1.3933 1.6088 1.6088 1.6992 1.6992 1.7295 1.7295 1.9493 1.9493 2.1521 2.1521 6.7183 6.7183 6.9956 6.9956 7.0745 7.0745 7.3348 7.3348 7.4723 7.4723 k = 0.5000 0.2887 0.1187 ( 8532 PWs) bands (ev): -11.3471 -11.3471 -11.1498 -11.1498 -10.8666 -10.8666 -10.7474 -10.7474 -10.6070 -10.6070 -10.5890 -10.5890 -0.8199 -0.8199 -0.6927 -0.6927 -0.4136 -0.4136 -0.1748 -0.1748 0.0129 0.0129 0.0633 0.0633 0.3532 0.3532 0.4984 0.4984 0.7847 0.7847 0.8868 0.8868 1.0378 1.0378 1.2305 1.2305 1.3980 1.3980 1.6085 1.6085 1.6676 1.6676 1.7119 1.7119 1.9540 1.9540 2.1620 2.1620 6.7060 6.7060 6.9988 6.9988 7.0753 7.0753 7.3216 7.3216 7.4549 7.4549 k = 0.5000 0.2887 0.0950 ( 8532 PWs) bands (ev): -11.3519 -11.3519 -11.1529 -11.1529 -10.8665 -10.8665 -10.7467 -10.7467 -10.6046 -10.6046 -10.5864 -10.5864 -0.8215 -0.8215 -0.7029 -0.7029 -0.3644 -0.3644 -0.1614 -0.1614 -0.0062 -0.0062 0.0491 0.0491 0.3112 0.3112 0.4863 0.4863 0.7935 0.7935 0.9230 0.9230 1.0407 1.0407 1.2676 1.2676 1.4020 1.4020 1.5930 1.5930 1.6445 1.6445 1.6994 1.6994 1.9581 1.9581 2.1702 2.1702 6.6962 6.6962 6.9998 6.9998 7.0806 7.0806 7.3114 7.3114 7.4398 7.4398 k = 0.5000 0.2887 0.0712 ( 8528 PWs) bands (ev): -11.3558 -11.3558 -11.1553 -11.1553 -10.8664 -10.8664 -10.7461 -10.7461 -10.6027 -10.6027 -10.5844 -10.5844 -0.8229 -0.8229 -0.7109 -0.7109 -0.3167 -0.3167 -0.1458 -0.1458 -0.0268 -0.0268 0.0296 0.0296 0.2775 0.2775 0.4767 0.4767 0.8003 0.8003 0.9548 0.9548 1.0423 1.0423 1.3055 1.3055 1.4053 1.4053 1.5626 1.5626 1.6301 1.6301 1.6931 1.6931 1.9614 1.9614 2.1767 2.1767 6.6887 6.6887 6.9993 6.9993 7.0887 7.0887 7.3045 7.3045 7.4268 7.4268 k = 0.5000 0.2887 0.0475 ( 8536 PWs) bands (ev): -11.3585 -11.3585 -11.1570 -11.1570 -10.8664 -10.8664 -10.7457 -10.7457 -10.6014 -10.6014 -10.5829 -10.5829 -0.8239 -0.8239 -0.7166 -0.7166 -0.2731 -0.2731 -0.1285 -0.1285 -0.0483 -0.0483 0.0065 0.0065 0.2538 0.2538 0.4698 0.4698 0.8052 0.8052 0.9803 0.9803 1.0423 1.0423 1.3434 1.3434 1.4077 1.4077 1.5271 1.5271 1.6192 1.6192 1.6911 1.6911 1.9639 1.9639 2.1814 2.1814 6.6834 6.6834 6.9981 6.9981 7.0970 7.0970 7.3007 7.3007 7.4137 7.4137 k = 0.5000 0.2887 0.0237 ( 8546 PWs) bands (ev): -11.3601 -11.3601 -11.1580 -11.1580 -10.8664 -10.8664 -10.7455 -10.7455 -10.6006 -10.6006 -10.5820 -10.5820 -0.8246 -0.8246 -0.7201 -0.7201 -0.2393 -0.2393 -0.1104 -0.1104 -0.0699 -0.0699 -0.0148 -0.0148 0.2400 0.2400 0.4656 0.4656 0.8080 0.8080 0.9978 0.9978 1.0409 1.0409 1.3781 1.3781 1.4086 1.4086 1.4935 1.4935 1.6115 1.6115 1.6909 1.6909 1.9654 1.9654 2.1843 2.1843 6.6803 6.6803 6.9972 6.9972 7.1032 7.1032 7.2994 7.2994 7.4005 7.4005 k = 0.5000 0.2887-0.0000 ( 8532 PWs) bands (ev): -11.3607 -11.3607 -11.1583 -11.1583 -10.8663 -10.8663 -10.7454 -10.7454 -10.6003 -10.6003 -10.5817 -10.5817 -0.8248 -0.8248 -0.7213 -0.7213 -0.2257 -0.2257 -0.0951 -0.0951 -0.0867 -0.0867 -0.0241 -0.0241 0.2356 0.2356 0.4642 0.4642 0.8090 0.8090 1.0044 1.0044 1.0399 1.0399 1.3976 1.3976 1.4071 1.4071 1.4762 1.4762 1.6088 1.6088 1.6910 1.6910 1.9659 1.9659 2.1852 2.1852 6.6793 6.6793 6.9968 6.9968 7.1054 7.1054 7.2993 7.2993 7.3951 7.3951 k = 0.3333 0.5774-0.0000 ( 8544 PWs) bands (ev): -11.2569 -11.2569 -11.2430 -11.2430 -10.9490 -10.9490 -10.6400 -10.6400 -10.6347 -10.6347 -10.5908 -10.5908 -0.7530 -0.7530 -0.7311 -0.7311 -0.5410 -0.5410 -0.1719 -0.1719 0.1082 0.1082 0.1148 0.1148 0.4009 0.4009 0.4346 0.4346 0.8594 0.8594 0.8969 0.8969 1.0084 1.0084 1.2056 1.2056 1.4425 1.4425 1.5004 1.5004 1.5059 1.5059 1.8521 1.8521 2.0836 2.0836 2.0973 2.0973 6.8454 6.8454 6.9246 6.9246 7.0304 7.0304 7.0761 7.0761 7.7346 7.7346 k = 0.3333 0.5774 0.0237 ( 8556 PWs) bands (ev): -11.2564 -11.2564 -11.2425 -11.2425 -10.9489 -10.9489 -10.6402 -10.6402 -10.6349 -10.6349 -10.5911 -10.5911 -0.7524 -0.7524 -0.7305 -0.7305 -0.5459 -0.5459 -0.1658 -0.1658 0.1058 0.1058 0.1118 0.1118 0.4036 0.4036 0.4365 0.4365 0.8580 0.8580 0.8953 0.8953 1.0049 1.0049 1.2058 1.2058 1.4439 1.4439 1.5021 1.5021 1.5075 1.5075 1.8516 1.8516 2.0827 2.0827 2.0965 2.0965 6.8461 6.8461 6.9251 6.9251 7.0309 7.0309 7.0793 7.0793 7.7319 7.7319 k = 0.3333 0.5774 0.0475 ( 8538 PWs) bands (ev): -11.2551 -11.2551 -11.2412 -11.2412 -10.9488 -10.9488 -10.6408 -10.6408 -10.6356 -10.6356 -10.5920 -10.5920 -0.7505 -0.7505 -0.7288 -0.7288 -0.5599 -0.5599 -0.1485 -0.1485 0.0989 0.0989 0.1034 0.1034 0.4114 0.4114 0.4420 0.4420 0.8541 0.8541 0.8909 0.8909 0.9947 0.9947 1.2061 1.2061 1.4485 1.4485 1.5073 1.5073 1.5124 1.5124 1.8500 1.8500 2.0801 2.0801 2.0944 2.0944 6.8480 6.8480 6.9265 6.9265 7.0325 7.0325 7.0883 7.0883 7.7245 7.7245 k = 0.3333 0.5774 0.0712 ( 8544 PWs) bands (ev): -11.2528 -11.2528 -11.2390 -11.2390 -10.9485 -10.9485 -10.6419 -10.6419 -10.6367 -10.6367 -10.5934 -10.5934 -0.7475 -0.7475 -0.7260 -0.7260 -0.5805 -0.5805 -0.1222 -0.1222 0.0882 0.0882 0.0906 0.0906 0.4230 0.4230 0.4503 0.4503 0.8481 0.8481 0.8840 0.8840 0.9793 0.9793 1.2045 1.2045 1.4565 1.4565 1.5155 1.5155 1.5201 1.5201 1.8474 1.8474 2.0758 2.0758 2.0910 2.0910 6.8513 6.8513 6.9289 6.9289 7.0357 7.0357 7.1028 7.1028 7.7144 7.7144 k = 0.3333 0.5774 0.0950 ( 8538 PWs) bands (ev): -11.2496 -11.2496 -11.2358 -11.2358 -10.9480 -10.9480 -10.6433 -10.6433 -10.6382 -10.6382 -10.5954 -10.5954 -0.7434 -0.7434 -0.7222 -0.7222 -0.6053 -0.6053 -0.0895 -0.0895 0.0743 0.0743 0.0746 0.0746 0.4372 0.4372 0.4605 0.4605 0.8406 0.8406 0.8752 0.8752 0.9599 0.9599 1.1996 1.1996 1.4681 1.4681 1.5264 1.5264 1.5304 1.5304 1.8440 1.8440 2.0699 2.0699 2.0863 2.0863 6.8560 6.8560 6.9323 6.9323 7.0406 7.0406 7.1222 7.1222 7.7035 7.7035 k = 0.3333 0.5774 0.1187 ( 8538 PWs) bands (ev): -11.2456 -11.2456 -11.2319 -11.2319 -10.9475 -10.9475 -10.6452 -10.6452 -10.6402 -10.6402 -10.5980 -10.5980 -0.7384 -0.7384 -0.7177 -0.7177 -0.6325 -0.6325 -0.0524 -0.0524 0.0567 0.0567 0.0583 0.0583 0.4525 0.4525 0.4716 0.4716 0.8325 0.8325 0.8656 0.8656 0.9377 0.9377 1.1901 1.1901 1.4830 1.4830 1.5392 1.5392 1.5428 1.5428 1.8398 1.8398 2.0625 2.0625 2.0805 2.0805 6.8621 6.8621 6.9369 6.9369 7.0473 7.0473 7.1462 7.1462 7.6932 7.6932 k = 0.3333 0.5774 0.1425 ( 8529 PWs) bands (ev): -11.2407 -11.2407 -11.2271 -11.2271 -10.9468 -10.9468 -10.6474 -10.6474 -10.6427 -10.6427 -10.6011 -10.6011 -0.7325 -0.7325 -0.7128 -0.7128 -0.6603 -0.6603 -0.0129 -0.0129 0.0382 0.0382 0.0408 0.0408 0.4679 0.4679 0.4824 0.4824 0.8247 0.8247 0.8561 0.8561 0.9136 0.9136 1.1758 1.1758 1.5007 1.5007 1.5535 1.5535 1.5567 1.5567 1.8351 1.8351 2.0537 2.0537 2.0738 2.0738 6.8696 6.8696 6.9428 6.9428 7.0556 7.0556 7.1746 7.1746 7.6845 7.6845 k = 0.3333 0.5774 0.1662 ( 8520 PWs) bands (ev): -11.2349 -11.2349 -11.2214 -11.2214 -10.9460 -10.9460 -10.6501 -10.6501 -10.6455 -10.6455 -10.6048 -10.6048 -0.7262 -0.7262 -0.7089 -0.7089 -0.6868 -0.6868 0.0125 0.0125 0.0225 0.0225 0.0355 0.0355 0.4822 0.4822 0.4923 0.4923 0.8181 0.8181 0.8475 0.8475 0.8881 0.8881 1.1568 1.1568 1.5201 1.5201 1.5684 1.5684 1.5717 1.5717 1.8302 1.8302 2.0438 2.0438 2.0665 2.0665 6.8787 6.8787 6.9501 6.9501 7.0652 7.0652 7.2070 7.2070 7.6778 7.6778 k = 0.3333 0.5774 0.1899 ( 8544 PWs) bands (ev): -11.2284 -11.2284 -11.2150 -11.2150 -10.9450 -10.9450 -10.6532 -10.6532 -10.6488 -10.6488 -10.6090 -10.6090 -0.7200 -0.7200 -0.7196 -0.7196 -0.6974 -0.6974 -0.0037 -0.0037 0.0038 0.0038 0.0756 0.0756 0.4947 0.4947 0.5004 0.5004 0.8137 0.8137 0.8406 0.8406 0.8618 0.8618 1.1340 1.1340 1.5397 1.5397 1.5833 1.5833 1.5877 1.5877 1.8253 1.8253 2.0331 2.0331 2.0588 2.0588 6.8893 6.8893 6.9589 6.9589 7.0757 7.0757 7.2433 7.2433 7.6737 7.6737 k = 0.3333 0.5774 0.2137 ( 8544 PWs) bands (ev): -11.2210 -11.2210 -11.2078 -11.2078 -10.9439 -10.9439 -10.6566 -10.6566 -10.6525 -10.6525 -10.6136 -10.6136 -0.7447 -0.7447 -0.7129 -0.7129 -0.6934 -0.6934 -0.0222 -0.0222 -0.0146 -0.0146 0.1192 0.1192 0.5047 0.5047 0.5063 0.5063 0.8121 0.8121 0.8292 0.8292 0.8419 0.8419 1.1081 1.1081 1.5577 1.5577 1.5974 1.5974 1.6046 1.6046 1.8208 1.8208 2.0219 2.0219 2.0511 2.0511 6.9015 6.9015 6.9695 6.9695 7.0868 7.0868 7.2832 7.2832 7.6722 7.6723 k = 0.3333 0.5774 0.2374 ( 8568 PWs) bands (ev): -11.2130 -11.2130 -11.1999 -11.1999 -10.9427 -10.9427 -10.6605 -10.6605 -10.6566 -10.6566 -10.6188 -10.6188 -0.7691 -0.7691 -0.7065 -0.7065 -0.6885 -0.6885 -0.0400 -0.0400 -0.0326 -0.0326 0.1630 0.1630 0.5101 0.5101 0.5120 0.5120 0.8017 0.8017 0.8138 0.8138 0.8402 0.8402 1.0800 1.0800 1.5727 1.5727 1.6101 1.6101 1.6225 1.6225 1.8174 1.8174 2.0105 2.0105 2.0438 2.0438 6.9154 6.9154 6.9818 6.9818 7.0983 7.0983 7.3263 7.3263 7.6735 7.6735 k = 0.3333 0.5774 0.2612 ( 8556 PWs) bands (ev): -11.2042 -11.2042 -11.1913 -11.1913 -10.9413 -10.9413 -10.6647 -10.6647 -10.6610 -10.6610 -10.6244 -10.6244 -0.7918 -0.7918 -0.7008 -0.7008 -0.6842 -0.6842 -0.0568 -0.0568 -0.0499 -0.0499 0.2063 0.2063 0.5120 0.5120 0.5168 0.5168 0.7708 0.7708 0.8187 0.8187 0.8440 0.8440 1.0510 1.0510 1.5837 1.5837 1.6207 1.6207 1.6402 1.6402 1.8158 1.8158 1.9994 1.9994 2.0372 2.0372 6.9310 6.9310 6.9962 6.9962 7.1099 7.1099 7.3723 7.3723 7.6775 7.6775 k = 0.3333 0.5774 0.2849 ( 8556 PWs) bands (ev): -11.1947 -11.1947 -11.1821 -11.1821 -10.9397 -10.9397 -10.6693 -10.6693 -10.6659 -10.6659 -10.6305 -10.6305 -0.8127 -0.8127 -0.6959 -0.6959 -0.6808 -0.6808 -0.0722 -0.0722 -0.0663 -0.0663 0.2488 0.2488 0.5127 0.5127 0.5195 0.5195 0.7377 0.7377 0.8266 0.8266 0.8516 0.8516 1.0221 1.0221 1.5906 1.5906 1.6284 1.6284 1.6563 1.6563 1.8170 1.8170 1.9892 1.9892 2.0317 2.0317 6.9483 6.9483 7.0127 7.0127 7.1214 7.1214 7.4207 7.4207 7.6842 7.6842 k = 0.3333 0.5774 0.3086 ( 8559 PWs) bands (ev): -11.1847 -11.1847 -11.1722 -11.1722 -10.9379 -10.9379 -10.6742 -10.6742 -10.6711 -10.6711 -10.6370 -10.6370 -0.8313 -0.8313 -0.6922 -0.6922 -0.6788 -0.6788 -0.0862 -0.0862 -0.0817 -0.0817 0.2899 0.2899 0.5130 0.5130 0.5211 0.5211 0.7021 0.7021 0.8370 0.8370 0.8621 0.8621 0.9946 0.9946 1.5934 1.5934 1.6327 1.6327 1.6690 1.6690 1.8221 1.8221 1.9803 1.9803 2.0275 2.0275 6.9672 6.9672 7.0314 7.0314 7.1328 7.1328 7.4709 7.4709 7.6937 7.6937 k = 0.3333 0.5774 0.3324 ( 8553 PWs) bands (ev): -11.1740 -11.1740 -11.1618 -11.1618 -10.9359 -10.9359 -10.6796 -10.6796 -10.6767 -10.6767 -10.6438 -10.6438 -0.8476 -0.8476 -0.6899 -0.6899 -0.6784 -0.6784 -0.0987 -0.0987 -0.0959 -0.0959 0.3292 0.3292 0.5138 0.5138 0.5221 0.5221 0.6640 0.6640 0.8493 0.8493 0.8749 0.8749 0.9695 0.9695 1.5923 1.5923 1.6332 1.6332 1.6772 1.6772 1.8317 1.8317 1.9730 1.9730 2.0246 2.0246 6.9876 6.9876 7.0524 7.0524 7.1443 7.1443 7.5221 7.5221 7.7060 7.7060 k = 0.3333 0.5774 0.3561 ( 8544 PWs) bands (ev): -11.1629 -11.1629 -11.1509 -11.1509 -10.9338 -10.9338 -10.6852 -10.6852 -10.6826 -10.6826 -10.6510 -10.6510 -0.8615 -0.8615 -0.6893 -0.6893 -0.6796 -0.6796 -0.1099 -0.1099 -0.1091 -0.1091 0.3660 0.3660 0.5160 0.5160 0.5230 0.5230 0.6242 0.6242 0.8630 0.8630 0.8882 0.8882 0.9485 0.9485 1.5873 1.5873 1.6295 1.6295 1.6813 1.6813 1.8454 1.8454 1.9675 1.9675 2.0231 2.0231 7.0091 7.0091 7.0756 7.0756 7.1561 7.1561 7.5729 7.5729 7.7214 7.7214 k = 0.3333 0.5774 0.3799 ( 8562 PWs) bands (ev): -11.1512 -11.1512 -11.1395 -11.1395 -10.9314 -10.9314 -10.6912 -10.6912 -10.6889 -10.6889 -10.6586 -10.6586 -0.8728 -0.8728 -0.6903 -0.6903 -0.6827 -0.6827 -0.1212 -0.1212 -0.1199 -0.1199 0.3993 0.3993 0.5200 0.5200 0.5218 0.5218 0.5858 0.5858 0.8777 0.8777 0.8981 0.8981 0.9355 0.9355 1.5788 1.5788 1.6218 1.6218 1.6823 1.6823 1.8620 1.8620 1.9637 1.9637 2.0226 2.0226 7.0313 7.0313 7.1011 7.1011 7.1689 7.1689 7.6213 7.6213 7.7404 7.7405 k = 0.3333 0.5774 0.4036 ( 8571 PWs) bands (ev): -11.1391 -11.1391 -11.1277 -11.1277 -10.9289 -10.9289 -10.6976 -10.6976 -10.6955 -10.6955 -10.6664 -10.6664 -0.8815 -0.8815 -0.6932 -0.6932 -0.6875 -0.6875 -0.1323 -0.1323 -0.1286 -0.1286 0.4266 0.4266 0.5090 0.5090 0.5266 0.5266 0.5617 0.5617 0.8929 0.8929 0.8960 0.8960 0.9387 0.9387 1.5670 1.5670 1.6105 1.6105 1.6817 1.6817 1.8801 1.8801 1.9614 1.9614 2.0229 2.0229 7.0537 7.0537 7.1288 7.1288 7.1833 7.1833 7.6644 7.6644 7.7586 7.7586 k = 0.3333 0.5774 0.4274 ( 8541 PWs) bands (ev): -11.1267 -11.1267 -11.1155 -11.1155 -10.9261 -10.9261 -10.7043 -10.7043 -10.7024 -10.7024 -10.6745 -10.6745 -0.8874 -0.8874 -0.6977 -0.6977 -0.6939 -0.6939 -0.1425 -0.1425 -0.1364 -0.1364 0.4324 0.4324 0.4913 0.4913 0.5359 0.5359 0.5610 0.5610 0.8868 0.8868 0.9083 0.9083 0.9527 0.9527 1.5525 1.5525 1.5961 1.5961 1.6808 1.6808 1.8986 1.8986 1.9601 1.9601 2.0235 2.0235 7.0756 7.0756 7.1587 7.1587 7.2003 7.2003 7.6997 7.6997 7.7777 7.7777 k = 0.3333 0.5774 0.4511 ( 8550 PWs) bands (ev): -11.1139 -11.1139 -11.1031 -11.1031 -10.9230 -10.9230 -10.7113 -10.7113 -10.7097 -10.7097 -10.6828 -10.6828 -0.8907 -0.8907 -0.7039 -0.7039 -0.7019 -0.7019 -0.1518 -0.1518 -0.1434 -0.1434 0.3968 0.3968 0.5022 0.5022 0.5480 0.5480 0.5704 0.5704 0.8778 0.8778 0.9237 0.9237 0.9696 0.9696 1.5357 1.5357 1.5793 1.5793 1.6804 1.6804 1.9165 1.9165 1.9593 1.9593 2.0241 2.0241 7.0963 7.0963 7.1905 7.1905 7.2208 7.2208 7.7271 7.7271 7.7979 7.7979 k = 0.3333 0.5774 0.4748 ( 8547 PWs) bands (ev): -11.1008 -11.1008 -11.0903 -11.0903 -10.9198 -10.9198 -10.7186 -10.7186 -10.7172 -10.7172 -10.6913 -10.6913 -0.8912 -0.8912 -0.7114 -0.7114 -0.7112 -0.7112 -0.1603 -0.1603 -0.1497 -0.1497 0.3459 0.3459 0.5219 0.5219 0.5629 0.5629 0.5843 0.5843 0.8707 0.8707 0.9388 0.9388 0.9870 0.9870 1.5175 1.5175 1.5609 1.5609 1.6813 1.6813 1.9331 1.9331 1.9585 1.9585 2.0244 2.0244 7.1155 7.1155 7.2241 7.2241 7.2451 7.2451 7.7484 7.7484 7.8189 7.8189 k = 0.3333 0.5774 0.4986 ( 8541 PWs) bands (ev): -11.0875 -11.0875 -11.0774 -11.0774 -10.9163 -10.9163 -10.7263 -10.7263 -10.7250 -10.7250 -10.7000 -10.7000 -0.8888 -0.8888 -0.7216 -0.7216 -0.7202 -0.7202 -0.1680 -0.1680 -0.1553 -0.1553 0.2907 0.2907 0.5417 0.5417 0.5805 0.5805 0.6007 0.6007 0.8654 0.8654 0.9533 0.9533 1.0042 1.0042 1.4985 1.4985 1.5415 1.5415 1.6837 1.6837 1.9479 1.9479 1.9572 1.9572 2.0242 2.0242 7.1333 7.1333 7.2592 7.2592 7.2733 7.2733 7.7648 7.7648 7.8405 7.8406 k = 0.3333 0.5774 0.5223 ( 8538 PWs) bands (ev): -11.0740 -11.0740 -11.0643 -11.0643 -10.9125 -10.9125 -10.7342 -10.7342 -10.7331 -10.7331 -10.7089 -10.7089 -0.8837 -0.8837 -0.7328 -0.7328 -0.7300 -0.7300 -0.1751 -0.1751 -0.1604 -0.1604 0.2336 0.2336 0.5606 0.5606 0.6004 0.6004 0.6187 0.6187 0.8616 0.8616 0.9671 0.9671 1.0205 1.0205 1.4797 1.4797 1.5219 1.5219 1.6881 1.6881 1.9551 1.9551 1.9603 1.9603 2.0234 2.0234 7.1503 7.1503 7.2958 7.2958 7.3048 7.3048 7.7762 7.7762 7.8560 7.8560 k = 0.3333 0.5774 0.5461 ( 8532 PWs) bands (ev): -11.0604 -11.0604 -11.0510 -11.0510 -10.9085 -10.9085 -10.7425 -10.7425 -10.7415 -10.7415 -10.7178 -10.7178 -0.8758 -0.8758 -0.7445 -0.7445 -0.7405 -0.7405 -0.1814 -0.1814 -0.1649 -0.1649 0.1754 0.1754 0.5784 0.5784 0.6222 0.6222 0.6377 0.6377 0.8586 0.8586 0.9799 0.9799 1.0356 1.0356 1.4617 1.4617 1.5028 1.5028 1.6946 1.6946 1.9520 1.9520 1.9699 1.9699 2.0220 2.0220 7.1671 7.1671 7.3333 7.3333 7.3391 7.3391 7.7822 7.7822 7.8679 7.8679 k = 0.3333 0.5774 0.5698 ( 8526 PWs) bands (ev): -11.0467 -11.0467 -11.0378 -11.0378 -10.9041 -10.9041 -10.7510 -10.7510 -10.7501 -10.7501 -10.7268 -10.7268 -0.8650 -0.8650 -0.7565 -0.7565 -0.7514 -0.7514 -0.1871 -0.1871 -0.1689 -0.1689 0.1168 0.1168 0.5949 0.5949 0.6455 0.6455 0.6578 0.6578 0.8560 0.8560 0.9914 0.9914 1.0488 1.0488 1.4454 1.4454 1.4847 1.4847 1.7033 1.7033 1.9476 1.9476 1.9760 1.9760 2.0204 2.0204 7.1843 7.1843 7.3717 7.3717 7.3754 7.3754 7.7827 7.7827 7.8807 7.8807 k = 0.3333 0.5774 0.5936 ( 8544 PWs) bands (ev): -11.0329 -11.0329 -11.0244 -11.0244 -10.8996 -10.8996 -10.7598 -10.7598 -10.7589 -10.7589 -10.7359 -10.7359 -0.8515 -0.8515 -0.7684 -0.7684 -0.7625 -0.7625 -0.1920 -0.1920 -0.1725 -0.1725 0.0582 0.0582 0.6101 0.6101 0.6697 0.6697 0.6786 0.6786 0.8532 0.8532 1.0013 1.0013 1.0596 1.0596 1.4316 1.4316 1.4683 1.4683 1.7142 1.7142 1.9420 1.9420 1.9782 1.9782 2.0188 2.0188 7.2024 7.2024 7.4104 7.4104 7.4131 7.4131 7.7783 7.7783 7.8938 7.8938 k = 0.3333 0.5774 0.6173 ( 8556 PWs) bands (ev): -11.0193 -11.0193 -11.0112 -11.0112 -10.8947 -10.8947 -10.7689 -10.7689 -10.7680 -10.7680 -10.7449 -10.7449 -0.8353 -0.8353 -0.7800 -0.7800 -0.7735 -0.7735 -0.1964 -0.1964 -0.1756 -0.1756 -0.0000 -0.0000 0.6241 0.6241 0.6945 0.6945 0.7001 0.7001 0.8500 0.8500 1.0093 1.0093 1.0674 1.0674 1.4212 1.4212 1.4542 1.4542 1.7272 1.7272 1.9350 1.9350 1.9763 1.9763 2.0173 2.0173 7.2216 7.2216 7.4492 7.4492 7.4518 7.4518 7.7695 7.7695 7.9063 7.9063 k = 0.3333 0.5774 0.6410 ( 8553 PWs) bands (ev): -11.0056 -11.0056 -10.9980 -10.9980 -10.8896 -10.8896 -10.7782 -10.7782 -10.7774 -10.7774 -10.7540 -10.7540 -0.8171 -0.8171 -0.7904 -0.7904 -0.7842 -0.7842 -0.2001 -0.2001 -0.1785 -0.1785 -0.0574 -0.0574 0.6372 0.6372 0.7194 0.7194 0.7216 0.7216 0.8460 0.8460 1.0153 1.0153 1.0719 1.0719 1.4147 1.4147 1.4427 1.4427 1.7422 1.7422 1.9269 1.9269 1.9711 1.9711 2.0154 2.0154 7.2421 7.2421 7.4876 7.4876 7.4907 7.4907 7.7573 7.7573 7.9175 7.9175 k = 0.3333 0.5774 0.6648 ( 8529 PWs) bands (ev): -10.9922 -10.9922 -10.9849 -10.9849 -10.8842 -10.8842 -10.7877 -10.7877 -10.7868 -10.7868 -10.7629 -10.7629 -0.8064 -0.8064 -0.7944 -0.7944 -0.7899 -0.7899 -0.2032 -0.2032 -0.1818 -0.1818 -0.1132 -0.1132 0.6497 0.6497 0.7427 0.7427 0.7438 0.7438 0.8414 0.8414 1.0189 1.0189 1.0728 1.0728 1.4122 1.4122 1.4343 1.4343 1.7588 1.7588 1.9179 1.9179 1.9634 1.9634 2.0124 2.0124 7.2639 7.2639 7.5250 7.5250 7.5294 7.5294 7.7422 7.7422 7.9265 7.9265 k = 0.3333 0.5774 0.6885 ( 8529 PWs) bands (ev): -10.9789 -10.9789 -10.9720 -10.9720 -10.8785 -10.8785 -10.7974 -10.7974 -10.7965 -10.7965 -10.7719 -10.7719 -0.8139 -0.8139 -0.8038 -0.8038 -0.7676 -0.7676 -0.2058 -0.2058 -0.1910 -0.1910 -0.1616 -0.1616 0.6617 0.6617 0.7624 0.7624 0.7673 0.7673 0.8365 0.8365 1.0201 1.0201 1.0704 1.0704 1.4137 1.4137 1.4288 1.4288 1.7768 1.7768 1.9081 1.9081 1.9541 1.9541 2.0077 2.0077 7.2869 7.2869 7.5611 7.5611 7.5671 7.5671 7.7252 7.7252 7.9327 7.9327 k = 0.3333 0.5774 0.7123 ( 8538 PWs) bands (ev): -10.9659 -10.9659 -10.9594 -10.9594 -10.8725 -10.8725 -10.8072 -10.8072 -10.8063 -10.8063 -10.7807 -10.7807 -0.8225 -0.8225 -0.8124 -0.8124 -0.7407 -0.7407 -0.2312 -0.2312 -0.2078 -0.2078 -0.1773 -0.1773 0.6735 0.6735 0.7792 0.7792 0.7895 0.7895 0.8325 0.8325 1.0191 1.0191 1.0650 1.0650 1.4184 1.4184 1.4262 1.4262 1.7958 1.7958 1.8980 1.8980 1.9438 1.9438 2.0011 2.0011 7.3109 7.3109 7.5951 7.5951 7.6019 7.6019 7.7079 7.7079 7.9355 7.9355 k = 0.3333 0.5774 0.7360 ( 8532 PWs) bands (ev): -10.9533 -10.9533 -10.9472 -10.9472 -10.8663 -10.8663 -10.8171 -10.8171 -10.8160 -10.8160 -10.7894 -10.7894 -0.8301 -0.8301 -0.8199 -0.8199 -0.7109 -0.7109 -0.2825 -0.2825 -0.2095 -0.2095 -0.1802 -0.1802 0.6851 0.6851 0.7898 0.7898 0.8100 0.8100 0.8322 0.8322 1.0161 1.0161 1.0577 1.0577 1.4254 1.4254 1.4260 1.4260 1.8154 1.8154 1.8880 1.8880 1.9335 1.9335 1.9924 1.9924 7.3356 7.3356 7.6263 7.6263 7.6288 7.6288 7.6957 7.6957 7.9347 7.9347 k = 0.3333 0.5774 0.7597 ( 8550 PWs) bands (ev): -10.9413 -10.9413 -10.9355 -10.9355 -10.8599 -10.8599 -10.8269 -10.8269 -10.8257 -10.8257 -10.7979 -10.7979 -0.8366 -0.8366 -0.8262 -0.8262 -0.6786 -0.6786 -0.3337 -0.3337 -0.2107 -0.2107 -0.1814 -0.1814 0.6965 0.6965 0.7912 0.7912 0.8284 0.8284 0.8386 0.8386 1.0116 1.0116 1.0493 1.0493 1.4275 1.4275 1.4334 1.4334 1.8351 1.8351 1.8786 1.8786 1.9238 1.9238 1.9819 1.9819 7.3603 7.3603 7.6340 7.6340 7.6538 7.6538 7.7024 7.7024 7.9301 7.9301 k = 0.3333 0.5774 0.7835 ( 8553 PWs) bands (ev): -10.9302 -10.9302 -10.9246 -10.9246 -10.8533 -10.8533 -10.8362 -10.8362 -10.8347 -10.8347 -10.8062 -10.8062 -0.8418 -0.8418 -0.8312 -0.8312 -0.6438 -0.6438 -0.3833 -0.3833 -0.2116 -0.2116 -0.1821 -0.1821 0.7075 0.7075 0.7862 0.7862 0.8441 0.8441 0.8487 0.8487 1.0064 1.0064 1.0409 1.0409 1.4300 1.4300 1.4413 1.4413 1.8541 1.8541 1.8705 1.8705 1.9159 1.9159 1.9696 1.9696 7.3839 7.3839 7.6203 7.6203 7.6767 7.6767 7.7251 7.7251 7.9225 7.9225 k = 0.3333 0.5774 0.8072 ( 8559 PWs) bands (ev): -10.9206 -10.9206 -10.9150 -10.9150 -10.8479 -10.8479 -10.8446 -10.8446 -10.8416 -10.8416 -10.8144 -10.8144 -0.8455 -0.8455 -0.8348 -0.8348 -0.6068 -0.6068 -0.4310 -0.4310 -0.2122 -0.2122 -0.1825 -0.1825 0.7176 0.7176 0.7789 0.7789 0.8563 0.8563 0.8582 0.8582 1.0015 1.0015 1.0336 1.0336 1.4325 1.4325 1.4479 1.4479 1.8641 1.8641 1.8710 1.8710 1.9114 1.9114 1.9558 1.9558 7.4049 7.4049 7.6030 7.6030 7.6941 7.6941 7.7488 7.7488 7.9131 7.9131 k = 0.3333 0.5774 0.8310 ( 8568 PWs) bands (ev): -10.9136 -10.9136 -10.9080 -10.9080 -10.8509 -10.8509 -10.8508 -10.8508 -10.8380 -10.8380 -10.8221 -10.8221 -0.8478 -0.8478 -0.8370 -0.8370 -0.5685 -0.5685 -0.4758 -0.4758 -0.2126 -0.2126 -0.1827 -0.1827 0.7257 0.7257 0.7722 0.7722 0.8643 0.8643 0.8647 0.8647 0.9978 0.9978 1.0286 1.0286 1.4343 1.4343 1.4523 1.4523 1.8601 1.8601 1.8822 1.8822 1.9137 1.9137 1.9412 1.9412 7.4203 7.4203 7.5892 7.5892 7.7049 7.7049 7.7665 7.7665 7.9047 7.9047 k = 0.3333 0.5774 0.8547 ( 8562 PWs) bands (ev): -10.9109 -10.9109 -10.9053 -10.9053 -10.8533 -10.8533 -10.8530 -10.8530 -10.8330 -10.8330 -10.8275 -10.8275 -0.8485 -0.8485 -0.8378 -0.8378 -0.5399 -0.5399 -0.5065 -0.5065 -0.2127 -0.2127 -0.1827 -0.1827 0.7291 0.7291 0.7693 0.7693 0.8670 0.8670 0.8670 0.8670 0.9965 0.9965 1.0268 1.0268 1.4350 1.4350 1.4538 1.4538 1.8587 1.8587 1.8853 1.8853 1.9211 1.9211 1.9303 1.9303 7.4262 7.4262 7.5838 7.5838 7.7086 7.7086 7.7733 7.7733 7.9011 7.9011 Writing output data file LaCl3.save init_run : 3.35s CPU 13.85s WALL ( 1 calls) electrons : 1588.60s CPU 1599.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 1588.53s CPU 1599.51s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.81s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.05s CPU 0.44s WALL ( 1 calls) newd : 0.70s CPU 0.91s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.19s WALL ( 255 calls) cegterg : 1518.50s CPU 1526.22s WALL ( 1076 calls) Called by sum_band: Called by *egterg: h_psi : 736.17s CPU 749.01s WALL ( 20501 calls) s_psi : 110.23s CPU 110.51s WALL ( 20501 calls) g_psi : 2.08s CPU 2.10s WALL ( 19170 calls) cdiaghg : 442.62s CPU 438.22s WALL ( 19425 calls) cegterg:over : 124.91s CPU 121.03s WALL ( 19170 calls) cegterg:upda : 41.84s CPU 47.94s WALL ( 19170 calls) cegterg:last : 34.99s CPU 36.04s WALL ( 2876 calls) Called by h_psi: h_psi:vloc : 500.91s CPU 510.52s WALL ( 20501 calls) h_psi:vnl : 234.19s CPU 236.38s WALL ( 20501 calls) add_vuspsi : 99.27s CPU 105.33s WALL ( 20501 calls) General routines calbec : 134.82s CPU 130.88s WALL ( 20501 calls) fft : 0.39s CPU 1.46s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 479.57s CPU 486.27s WALL ( 1865616 calls) interpolate : 0.10s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.98s WALL ( 510 calls) Parallel routines fft_scatter : 312.03s CPU 312.45s WALL ( 1865639 calls) PWSCF : 27m33.67s CPU 30m 1.90s WALL This run was terminated on: 7:29:11 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=