Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Si3N4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 127 70 21 2685 1088 179 Max 129 71 22 2686 1102 181 Sum 4615 2527 757 96685 39389 6481 bravais-lattice index = 14 lattice parameter (alat) = 14.4326 a.u. unit-cell volume = 996.0896 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.432593 celldm(2)= 1.000000 celldm(3)= 0.382591 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 0.382591 ) 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 2.613758 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 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 ) ( -0.1912955 ) 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 ) ( -0.1912955 ) 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 ) ( -0.1912955 ) 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 ) ( 0.1912955 ) 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 ) ( 0.1912955 ) 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 ) ( 0.1912955 ) 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_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_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_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_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_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 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_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_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_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_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_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 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_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_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_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_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_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 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_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_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_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_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_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 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C6 3 60 deg rotation - cryst. axis [0,0,1] -C6 -3 60 deg rotation - cryst. axis [0,0,1] E C3 5 120 deg rotation - cryst. axis [0,0,1] -C3 -5 120 deg rotation - cryst. axis [0,0,1] E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E C3^2 6 120 deg rotation - cryst. axis [0,0,-1] -C3^2 -6 120 deg rotation - cryst. axis [0,0,-1] E C6^5 4 60 deg rotation - cryst. axis [0,0,-1] -C6^5 -4 60 deg rotation - cryst. axis [0,0,-1] E i 7 inversion -i -7 inversion E S3^5 9 inv. 60 deg rotation - cryst. axis [0,0,1] -S3^5 -9 inv. 60 deg rotation - cryst. axis [0,0,1] E S6^5 11 inv. 120 deg rotation - cryst. axis [0,0,1] -S6^5 -11 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h 8 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -8 inv. 180 deg rotation - cart. axis [0,0,1] E S6 12 inv. 120 deg rotation - cryst. axis [0,0,-1] -S6 -12 inv. 120 deg rotation - cryst. axis [0,0,-1] E S3 10 inv. 60 deg rotation - cryst. axis [0,0,-1] -S3 -10 inv. 60 deg rotation - cryst. axis [0,0,-1] E Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033003 k( 6) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0033003 k( 7) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033003 k( 8) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0033003 k( 9) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0033003 k( 11) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0033003 k( 12) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0033003 k( 13) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033003 k( 14) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0033003 k( 15) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0033003 k( 16) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0033003 k( 17) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033003 k( 18) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0033003 k( 19) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033003 k( 20) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0033003 k( 21) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033003 k( 22) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0033003 k( 23) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0033003 k( 24) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0033003 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 27) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0033003 k( 28) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0033003 k( 29) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0033003 k( 30) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0033003 k( 32) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0033003 k( 33) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 34) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0033003 k( 35) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0033003 k( 36) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0033003 k( 37) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0033003 k( 38) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0033003 k( 39) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0033003 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 41) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 42) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0033003 k( 43) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0033003 k( 44) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0033003 k( 45) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0033003 k( 46) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0033003 k( 47) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0033003 k( 48) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033003 k( 49) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0033003 k( 50) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0033003 k( 51) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0033003 k( 52) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0033003 k( 53) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0033003 k( 54) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0033003 k( 55) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033003 k( 56) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0033003 k( 57) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0033003 k( 58) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0033003 k( 59) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0033003 k( 60) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0033003 k( 61) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0033003 k( 62) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033003 k( 63) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0033003 k( 64) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0033003 k( 65) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0033003 k( 66) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0033003 k( 67) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0033003 k( 68) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0033003 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 71) = ( 0.0000000 0.0000000 0.0242015), wk = 0.0033003 k( 72) = ( 0.0000000 0.0000000 0.0484029), wk = 0.0033003 k( 73) = ( 0.0000000 0.0000000 0.0726044), wk = 0.0033003 k( 74) = ( 0.0000000 0.0000000 0.0968058), wk = 0.0033003 k( 75) = ( 0.0000000 0.0000000 0.1210073), wk = 0.0033003 k( 76) = ( 0.0000000 0.0000000 0.1452088), wk = 0.0033003 k( 77) = ( 0.0000000 0.0000000 0.1694102), wk = 0.0033003 k( 78) = ( 0.0000000 0.0000000 0.1936117), wk = 0.0033003 k( 79) = ( 0.0000000 0.0000000 0.2178131), wk = 0.0033003 k( 80) = ( 0.0000000 0.0000000 0.2420146), wk = 0.0033003 k( 81) = ( 0.0000000 0.0000000 0.2662161), wk = 0.0033003 k( 82) = ( 0.0000000 0.0000000 0.2904175), wk = 0.0033003 k( 83) = ( 0.0000000 0.0000000 0.3146190), wk = 0.0033003 k( 84) = ( 0.0000000 0.0000000 0.3388204), wk = 0.0033003 k( 85) = ( 0.0000000 0.0000000 0.3630219), wk = 0.0033003 k( 86) = ( 0.0000000 0.0000000 0.3872234), wk = 0.0033003 k( 87) = ( 0.0000000 0.0000000 0.4114248), wk = 0.0033003 k( 88) = ( 0.0000000 0.0000000 0.4356263), wk = 0.0033003 k( 89) = ( 0.0000000 0.0000000 0.4598278), wk = 0.0033003 k( 90) = ( 0.0000000 0.0000000 0.4840292), wk = 0.0033003 k( 91) = ( 0.0000000 0.0000000 0.5082307), wk = 0.0033003 k( 92) = ( 0.0000000 0.0000000 0.5324321), wk = 0.0033003 k( 93) = ( 0.0000000 0.0000000 0.5566336), wk = 0.0033003 k( 94) = ( 0.0000000 0.0000000 0.5808350), wk = 0.0033003 k( 95) = ( 0.0000000 0.0000000 0.6050365), wk = 0.0033003 k( 96) = ( 0.0000000 0.0000000 0.6292380), wk = 0.0033003 k( 97) = ( 0.0000000 0.0000000 0.6534394), wk = 0.0033003 k( 98) = ( 0.0000000 0.0000000 0.6776409), wk = 0.0033003 k( 99) = ( 0.0000000 0.0000000 0.7018423), wk = 0.0033003 k( 100) = ( 0.0000000 0.0000000 0.7260438), wk = 0.0033003 k( 101) = ( 0.0000000 0.0000000 0.7502453), wk = 0.0033003 k( 102) = ( 0.0000000 0.0000000 0.7744467), wk = 0.0033003 k( 103) = ( 0.0000000 0.0000000 0.7986482), wk = 0.0033003 k( 104) = ( 0.0000000 0.0000000 0.8228496), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.8470511), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.8712526), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.8954540), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.9196555), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.9438569), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.9680584), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.9922599), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 1.0164613), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 1.0406628), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 1.0648643), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 1.0890657), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 1.1132672), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 1.1374686), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 1.1616701), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 1.1858715), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 1.2100730), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 1.2342745), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 1.2584759), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 1.2826774), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 1.3068789), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 1.3068789), wk = 0.0033003 k( 126) = ( 0.0208333 0.0120281 1.3068789), wk = 0.0033003 k( 127) = ( 0.0416667 0.0240563 1.3068789), wk = 0.0033003 k( 128) = ( 0.0625000 0.0360844 1.3068789), wk = 0.0033003 k( 129) = ( 0.0833333 0.0481125 1.3068789), wk = 0.0033003 k( 130) = ( 0.1041667 0.0601407 1.3068789), wk = 0.0033003 k( 131) = ( 0.1250000 0.0721688 1.3068789), wk = 0.0033003 k( 132) = ( 0.1458333 0.0841969 1.3068789), wk = 0.0033003 k( 133) = ( 0.1666667 0.0962250 1.3068789), wk = 0.0033003 k( 134) = ( 0.1875000 0.1082532 1.3068789), wk = 0.0033003 k( 135) = ( 0.2083333 0.1202813 1.3068789), wk = 0.0033003 k( 136) = ( 0.2291667 0.1323094 1.3068789), wk = 0.0033003 k( 137) = ( 0.2500000 0.1443376 1.3068789), wk = 0.0033003 k( 138) = ( 0.2708333 0.1563657 1.3068789), wk = 0.0033003 k( 139) = ( 0.2916667 0.1683938 1.3068789), wk = 0.0033003 k( 140) = ( 0.3125000 0.1804220 1.3068789), wk = 0.0033003 k( 141) = ( 0.3333333 0.1924501 1.3068789), wk = 0.0033003 k( 142) = ( 0.3541667 0.2044782 1.3068789), wk = 0.0033003 k( 143) = ( 0.3750000 0.2165064 1.3068789), wk = 0.0033003 k( 144) = ( 0.3958333 0.2285345 1.3068789), wk = 0.0033003 k( 145) = ( 0.4166667 0.2405626 1.3068789), wk = 0.0033003 k( 146) = ( 0.4375000 0.2525907 1.3068789), wk = 0.0033003 k( 147) = ( 0.4583333 0.2646189 1.3068789), wk = 0.0033003 k( 148) = ( 0.4791667 0.2766470 1.3068789), wk = 0.0033003 k( 149) = ( 0.5000000 0.2886751 1.3068789), wk = 0.0033003 k( 150) = ( 0.5000000 0.2886751 1.3068789), wk = 0.0033003 k( 151) = ( 0.4880952 0.3092948 1.3068789), wk = 0.0033003 k( 152) = ( 0.4761905 0.3299144 1.3068789), wk = 0.0033003 k( 153) = ( 0.4642857 0.3505341 1.3068789), wk = 0.0033003 k( 154) = ( 0.4523810 0.3711537 1.3068789), wk = 0.0033003 k( 155) = ( 0.4404762 0.3917734 1.3068789), wk = 0.0033003 k( 156) = ( 0.4285714 0.4123930 1.3068789), wk = 0.0033003 k( 157) = ( 0.4166667 0.4330127 1.3068789), wk = 0.0033003 k( 158) = ( 0.4047619 0.4536324 1.3068789), wk = 0.0033003 k( 159) = ( 0.3928571 0.4742520 1.3068789), wk = 0.0033003 k( 160) = ( 0.3809524 0.4948717 1.3068789), wk = 0.0033003 k( 161) = ( 0.3690476 0.5154913 1.3068789), wk = 0.0033003 k( 162) = ( 0.3571429 0.5361110 1.3068789), wk = 0.0033003 k( 163) = ( 0.3452381 0.5567306 1.3068789), wk = 0.0033003 k( 164) = ( 0.3333333 0.5773503 1.3068789), wk = 0.0033003 k( 165) = ( 0.3333333 0.5773503 1.3068789), wk = 0.0033003 k( 166) = ( 0.3214286 0.5567306 1.3068789), wk = 0.0033003 k( 167) = ( 0.3095238 0.5361110 1.3068789), wk = 0.0033003 k( 168) = ( 0.2976190 0.5154913 1.3068789), wk = 0.0033003 k( 169) = ( 0.2857143 0.4948717 1.3068789), wk = 0.0033003 k( 170) = ( 0.2738095 0.4742520 1.3068789), wk = 0.0033003 k( 171) = ( 0.2619048 0.4536324 1.3068789), wk = 0.0033003 k( 172) = ( 0.2500000 0.4330127 1.3068789), wk = 0.0033003 k( 173) = ( 0.2380952 0.4123931 1.3068789), wk = 0.0033003 k( 174) = ( 0.2261905 0.3917734 1.3068789), wk = 0.0033003 k( 175) = ( 0.2142857 0.3711537 1.3068789), wk = 0.0033003 k( 176) = ( 0.2023810 0.3505341 1.3068789), wk = 0.0033003 k( 177) = ( 0.1904762 0.3299144 1.3068789), wk = 0.0033003 k( 178) = ( 0.1785714 0.3092948 1.3068789), wk = 0.0033003 k( 179) = ( 0.1666667 0.2886751 1.3068789), wk = 0.0033003 k( 180) = ( 0.1547619 0.2680555 1.3068789), wk = 0.0033003 k( 181) = ( 0.1428571 0.2474358 1.3068789), wk = 0.0033003 k( 182) = ( 0.1309524 0.2268162 1.3068789), wk = 0.0033003 k( 183) = ( 0.1190476 0.2061965 1.3068789), wk = 0.0033003 k( 184) = ( 0.1071429 0.1855769 1.3068789), wk = 0.0033003 k( 185) = ( 0.0952381 0.1649572 1.3068789), wk = 0.0033003 k( 186) = ( 0.0833333 0.1443376 1.3068789), wk = 0.0033003 k( 187) = ( 0.0714286 0.1237179 1.3068789), wk = 0.0033003 k( 188) = ( 0.0595238 0.1030983 1.3068789), wk = 0.0033003 k( 189) = ( 0.0476191 0.0824786 1.3068789), wk = 0.0033003 k( 190) = ( 0.0357143 0.0618590 1.3068789), wk = 0.0033003 k( 191) = ( 0.0238095 0.0412393 1.3068789), wk = 0.0033003 k( 192) = ( 0.0119048 0.0206196 1.3068789), wk = 0.0033003 k( 193) = ( 0.0000000 0.0000000 1.3068789), wk = 0.0033003 k( 194) = ( 0.5000000 0.2886751 1.3068789), wk = 0.0033003 k( 195) = ( 0.5000000 0.2886751 1.2826774), wk = 0.0033003 k( 196) = ( 0.5000000 0.2886751 1.2584759), wk = 0.0033003 k( 197) = ( 0.5000000 0.2886751 1.2342745), wk = 0.0033003 k( 198) = ( 0.5000000 0.2886751 1.2100730), wk = 0.0033003 k( 199) = ( 0.5000000 0.2886751 1.1858715), wk = 0.0033003 k( 200) = ( 0.5000000 0.2886751 1.1616701), wk = 0.0033003 k( 201) = ( 0.5000000 0.2886751 1.1374686), wk = 0.0033003 k( 202) = ( 0.5000000 0.2886751 1.1132672), wk = 0.0033003 k( 203) = ( 0.5000000 0.2886751 1.0890657), wk = 0.0033003 k( 204) = ( 0.5000000 0.2886751 1.0648643), wk = 0.0033003 k( 205) = ( 0.5000000 0.2886751 1.0406628), wk = 0.0033003 k( 206) = ( 0.5000000 0.2886751 1.0164613), wk = 0.0033003 k( 207) = ( 0.5000000 0.2886751 0.9922599), wk = 0.0033003 k( 208) = ( 0.5000000 0.2886751 0.9680584), wk = 0.0033003 k( 209) = ( 0.5000000 0.2886751 0.9438569), wk = 0.0033003 k( 210) = ( 0.5000000 0.2886751 0.9196555), wk = 0.0033003 k( 211) = ( 0.5000000 0.2886751 0.8954540), wk = 0.0033003 k( 212) = ( 0.5000000 0.2886751 0.8712526), wk = 0.0033003 k( 213) = ( 0.5000000 0.2886751 0.8470511), wk = 0.0033003 k( 214) = ( 0.5000000 0.2886751 0.8228496), wk = 0.0033003 k( 215) = ( 0.5000000 0.2886751 0.7986482), wk = 0.0033003 k( 216) = ( 0.5000000 0.2886751 0.7744467), wk = 0.0033003 k( 217) = ( 0.5000000 0.2886751 0.7502453), wk = 0.0033003 k( 218) = ( 0.5000000 0.2886751 0.7260438), wk = 0.0033003 k( 219) = ( 0.5000000 0.2886751 0.7018423), wk = 0.0033003 k( 220) = ( 0.5000000 0.2886751 0.6776409), wk = 0.0033003 k( 221) = ( 0.5000000 0.2886751 0.6534394), wk = 0.0033003 k( 222) = ( 0.5000000 0.2886751 0.6292380), wk = 0.0033003 k( 223) = ( 0.5000000 0.2886751 0.6050365), wk = 0.0033003 k( 224) = ( 0.5000000 0.2886751 0.5808350), wk = 0.0033003 k( 225) = ( 0.5000000 0.2886751 0.5566336), wk = 0.0033003 k( 226) = ( 0.5000000 0.2886751 0.5324321), wk = 0.0033003 k( 227) = ( 0.5000000 0.2886751 0.5082307), wk = 0.0033003 k( 228) = ( 0.5000000 0.2886751 0.4840292), wk = 0.0033003 k( 229) = ( 0.5000000 0.2886751 0.4598278), wk = 0.0033003 k( 230) = ( 0.5000000 0.2886751 0.4356263), wk = 0.0033003 k( 231) = ( 0.5000000 0.2886751 0.4114248), wk = 0.0033003 k( 232) = ( 0.5000000 0.2886751 0.3872234), wk = 0.0033003 k( 233) = ( 0.5000000 0.2886751 0.3630219), wk = 0.0033003 k( 234) = ( 0.5000000 0.2886751 0.3388204), wk = 0.0033003 k( 235) = ( 0.5000000 0.2886751 0.3146190), wk = 0.0033003 k( 236) = ( 0.5000000 0.2886751 0.2904175), wk = 0.0033003 k( 237) = ( 0.5000000 0.2886751 0.2662161), wk = 0.0033003 k( 238) = ( 0.5000000 0.2886751 0.2420146), wk = 0.0033003 k( 239) = ( 0.5000000 0.2886751 0.2178131), wk = 0.0033003 k( 240) = ( 0.5000000 0.2886751 0.1936117), wk = 0.0033003 k( 241) = ( 0.5000000 0.2886751 0.1694102), wk = 0.0033003 k( 242) = ( 0.5000000 0.2886751 0.1452088), wk = 0.0033003 k( 243) = ( 0.5000000 0.2886751 0.1210073), wk = 0.0033003 k( 244) = ( 0.5000000 0.2886751 0.0968058), wk = 0.0033003 k( 245) = ( 0.5000000 0.2886751 0.0726044), wk = 0.0033003 k( 246) = ( 0.5000000 0.2886751 0.0484029), wk = 0.0033003 k( 247) = ( 0.5000000 0.2886751 0.0242015), wk = 0.0033003 k( 248) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 249) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 250) = ( 0.3333333 0.5773503 0.0242015), wk = 0.0033003 k( 251) = ( 0.3333333 0.5773503 0.0484029), wk = 0.0033003 k( 252) = ( 0.3333333 0.5773503 0.0726044), wk = 0.0033003 k( 253) = ( 0.3333333 0.5773503 0.0968058), wk = 0.0033003 k( 254) = ( 0.3333333 0.5773503 0.1210073), wk = 0.0033003 k( 255) = ( 0.3333333 0.5773503 0.1452088), wk = 0.0033003 k( 256) = ( 0.3333333 0.5773503 0.1694102), wk = 0.0033003 k( 257) = ( 0.3333333 0.5773503 0.1936117), wk = 0.0033003 k( 258) = ( 0.3333333 0.5773503 0.2178131), wk = 0.0033003 k( 259) = ( 0.3333333 0.5773503 0.2420146), wk = 0.0033003 k( 260) = ( 0.3333333 0.5773503 0.2662161), wk = 0.0033003 k( 261) = ( 0.3333333 0.5773503 0.2904175), wk = 0.0033003 k( 262) = ( 0.3333333 0.5773503 0.3146190), wk = 0.0033003 k( 263) = ( 0.3333333 0.5773503 0.3388204), wk = 0.0033003 k( 264) = ( 0.3333333 0.5773503 0.3630219), wk = 0.0033003 k( 265) = ( 0.3333333 0.5773503 0.3872234), wk = 0.0033003 k( 266) = ( 0.3333333 0.5773503 0.4114248), wk = 0.0033003 k( 267) = ( 0.3333333 0.5773503 0.4356263), wk = 0.0033003 k( 268) = ( 0.3333333 0.5773503 0.4598278), wk = 0.0033003 k( 269) = ( 0.3333333 0.5773503 0.4840292), wk = 0.0033003 k( 270) = ( 0.3333333 0.5773503 0.5082307), wk = 0.0033003 k( 271) = ( 0.3333333 0.5773503 0.5324321), wk = 0.0033003 k( 272) = ( 0.3333333 0.5773503 0.5566336), wk = 0.0033003 k( 273) = ( 0.3333333 0.5773503 0.5808350), wk = 0.0033003 k( 274) = ( 0.3333333 0.5773503 0.6050365), wk = 0.0033003 k( 275) = ( 0.3333333 0.5773503 0.6292380), wk = 0.0033003 k( 276) = ( 0.3333333 0.5773503 0.6534394), wk = 0.0033003 k( 277) = ( 0.3333333 0.5773503 0.6776409), wk = 0.0033003 k( 278) = ( 0.3333333 0.5773503 0.7018423), wk = 0.0033003 k( 279) = ( 0.3333333 0.5773503 0.7260438), wk = 0.0033003 k( 280) = ( 0.3333333 0.5773503 0.7502453), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 0.7744467), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.7986482), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.8228496), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.8470511), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.8712526), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.8954540), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.9196555), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.9438569), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.9680584), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.9922599), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 1.0164613), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 1.0406628), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 1.0648643), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 1.0890657), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 1.1132672), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 1.1374686), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 1.1616701), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 1.1858715), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 1.2100730), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 1.2342745), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 1.2584759), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 1.2826774), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 1.3068789), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0208333 0.0000000 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0033003 k( 6) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0033003 k( 7) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033003 k( 8) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0033003 k( 9) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0033003 k( 10) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0033003 k( 11) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0033003 k( 12) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0033003 k( 13) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033003 k( 14) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0033003 k( 15) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0033003 k( 16) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0033003 k( 19) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033003 k( 20) = ( 0.3958333 0.0000000 -0.0000000), wk = 0.0033003 k( 21) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0033003 k( 23) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0033003 k( 24) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0033003 k( 25) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 26) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 27) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0033003 k( 28) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0033003 k( 29) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0033003 k( 30) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0033003 k( 32) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0033003 k( 33) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033003 k( 34) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0033003 k( 35) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0033003 k( 36) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0033003 k( 37) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0033003 k( 38) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0033003 k( 39) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0033003 k( 40) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 41) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 42) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0033003 k( 43) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0033003 k( 44) = ( 0.2976190 0.2976191 0.0000000), wk = 0.0033003 k( 45) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0033003 k( 46) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0033003 k( 47) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0033003 k( 48) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033003 k( 49) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0033003 k( 50) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0033003 k( 51) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0033003 k( 52) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0033003 k( 53) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0033003 k( 54) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0033003 k( 55) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033003 k( 56) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0033003 k( 57) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0033003 k( 58) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0033003 k( 59) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0033003 k( 60) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0033003 k( 61) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0033003 k( 62) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033003 k( 63) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0033003 k( 64) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0033003 k( 65) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0033003 k( 66) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0033003 k( 67) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0033003 k( 68) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0033003 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 71) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0033003 k( 72) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0033003 k( 73) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033003 k( 74) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0033003 k( 75) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0033003 k( 76) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033003 k( 77) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0033003 k( 78) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0033003 k( 79) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033003 k( 80) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0033003 k( 81) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0033003 k( 82) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033003 k( 83) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0033003 k( 84) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0033003 k( 85) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033003 k( 86) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0033003 k( 87) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0033003 k( 88) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033003 k( 89) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0033003 k( 90) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0033003 k( 91) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033003 k( 92) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0033003 k( 93) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0033003 k( 94) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033003 k( 95) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0033003 k( 96) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0033003 k( 97) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 98) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0033003 k( 99) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0033003 k( 100) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033003 k( 101) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0033003 k( 102) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0033003 k( 103) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033003 k( 104) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 126) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0033003 k( 127) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0033003 k( 128) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0033003 k( 129) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0033003 k( 130) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0033003 k( 131) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033003 k( 132) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0033003 k( 133) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0033003 k( 134) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0033003 k( 135) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0033003 k( 136) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0033003 k( 137) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033003 k( 138) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0033003 k( 139) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0033003 k( 140) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0033003 k( 152) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0033003 k( 153) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0033003 k( 154) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0033003 k( 155) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0033003 k( 156) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0033003 k( 157) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 158) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0033003 k( 159) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0033003 k( 160) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0033003 k( 161) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0033003 k( 162) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0033003 k( 163) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0033003 k( 164) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 165) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 166) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0033003 k( 167) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0033003 k( 168) = ( 0.2976190 0.2976191 0.5000000), wk = 0.0033003 k( 169) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0033003 k( 170) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0033003 k( 171) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0033003 k( 172) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033003 k( 173) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0033003 k( 174) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0033003 k( 175) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0033003 k( 176) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0033003 k( 177) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0033003 k( 178) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0033003 k( 179) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033003 k( 180) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0033003 k( 181) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0033003 k( 182) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0033003 k( 183) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0033003 k( 184) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0033003 k( 185) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0033003 k( 186) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033003 k( 187) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0033003 k( 188) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0033003 k( 189) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0033003 k( 190) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0033003 k( 191) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0033003 k( 192) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0033003 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 195) = ( 0.5000000 0.0000000 0.4907407), wk = 0.0033003 k( 196) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0033003 k( 197) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033003 k( 198) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0033003 k( 199) = ( 0.5000000 0.0000000 0.4537037), wk = 0.0033003 k( 200) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033003 k( 201) = ( 0.5000000 0.0000000 0.4351852), wk = 0.0033003 k( 202) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0033003 k( 203) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033003 k( 204) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0033003 k( 205) = ( 0.5000000 0.0000000 0.3981481), wk = 0.0033003 k( 206) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033003 k( 207) = ( 0.5000000 0.0000000 0.3796296), wk = 0.0033003 k( 208) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0033003 k( 209) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033003 k( 210) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0033003 k( 211) = ( 0.5000000 0.0000000 0.3425926), wk = 0.0033003 k( 212) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033003 k( 213) = ( 0.5000000 0.0000000 0.3240741), wk = 0.0033003 k( 214) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0033003 k( 215) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033003 k( 216) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0033003 k( 217) = ( 0.5000000 0.0000000 0.2870370), wk = 0.0033003 k( 218) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033003 k( 219) = ( 0.5000000 0.0000000 0.2685185), wk = 0.0033003 k( 220) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0033003 k( 221) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 222) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0033003 k( 223) = ( 0.5000000 0.0000000 0.2314815), wk = 0.0033003 k( 224) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033003 k( 225) = ( 0.5000000 0.0000000 0.2129630), wk = 0.0033003 k( 226) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0033003 k( 227) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033003 k( 228) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0033003 k( 229) = ( 0.5000000 0.0000000 0.1759259), wk = 0.0033003 k( 230) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033003 k( 231) = ( 0.5000000 0.0000000 0.1574074), wk = 0.0033003 k( 232) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0033003 k( 233) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033003 k( 234) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0033003 k( 235) = ( 0.5000000 0.0000000 0.1203704), wk = 0.0033003 k( 236) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033003 k( 237) = ( 0.5000000 0.0000000 0.1018518), wk = 0.0033003 k( 238) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0033003 k( 239) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033003 k( 240) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0033003 k( 241) = ( 0.5000000 0.0000000 0.0648148), wk = 0.0033003 k( 242) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033003 k( 243) = ( 0.5000000 0.0000000 0.0462963), wk = 0.0033003 k( 244) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0033003 k( 245) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033003 k( 246) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0033003 k( 247) = ( 0.5000000 0.0000000 0.0092593), wk = 0.0033003 k( 248) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 249) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 250) = ( 0.3333333 0.3333333 0.0092593), wk = 0.0033003 k( 251) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0033003 k( 252) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033003 k( 253) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0033003 k( 254) = ( 0.3333333 0.3333333 0.0462963), wk = 0.0033003 k( 255) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033003 k( 256) = ( 0.3333333 0.3333333 0.0648148), wk = 0.0033003 k( 257) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0033003 k( 258) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033003 k( 259) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0033003 k( 260) = ( 0.3333333 0.3333333 0.1018518), wk = 0.0033003 k( 261) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033003 k( 262) = ( 0.3333333 0.3333333 0.1203704), wk = 0.0033003 k( 263) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0033003 k( 264) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033003 k( 265) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0033003 k( 266) = ( 0.3333333 0.3333333 0.1574074), wk = 0.0033003 k( 267) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033003 k( 268) = ( 0.3333333 0.3333333 0.1759259), wk = 0.0033003 k( 269) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0033003 k( 270) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033003 k( 271) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0033003 k( 272) = ( 0.3333333 0.3333333 0.2129630), wk = 0.0033003 k( 273) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033003 k( 274) = ( 0.3333333 0.3333333 0.2314815), wk = 0.0033003 k( 275) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0033003 k( 276) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 277) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0033003 k( 278) = ( 0.3333333 0.3333333 0.2685185), wk = 0.0033003 k( 279) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033003 k( 280) = ( 0.3333333 0.3333333 0.2870370), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.3240741), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.3425926), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.3796296), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.3981481), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.4351852), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.4537037), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4907407), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 96685 G-vectors FFT dimensions: ( 90, 90, 32) Smooth grid: 39389 G-vectors FFT dimensions: ( 64, 64, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 288, 76) NL pseudopotentials 0.69 Mb ( 144, 316) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2686) G-vector shells 0.01 Mb ( 1088) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 288, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.73 Mb ( 316, 2, 76) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si3N4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.4 secs Computing kpt #: 13 total cpu time spent up to now is 13.4 secs Computing kpt #: 14 total cpu time spent up to now is 14.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.2 secs Computing kpt #: 17 total cpu time spent up to now is 17.1 secs Computing kpt #: 18 total cpu time spent up to now is 18.1 secs Computing kpt #: 19 total cpu time spent up to now is 19.0 secs Computing kpt #: 20 total cpu time spent up to now is 20.0 secs Computing kpt #: 21 total cpu time spent up to now is 21.2 secs Computing kpt #: 22 total cpu time spent up to now is 22.6 secs Computing kpt #: 23 total cpu time spent up to now is 23.8 secs Computing kpt #: 24 total cpu time spent up to now is 24.9 secs Computing kpt #: 25 total cpu time spent up to now is 26.0 secs Computing kpt #: 26 total cpu time spent up to now is 27.2 secs Computing kpt #: 27 total cpu time spent up to now is 28.3 secs Computing kpt #: 28 total cpu time spent up to now is 29.5 secs Computing kpt #: 29 total cpu time spent up to now is 30.6 secs Computing kpt #: 30 total cpu time spent up to now is 31.7 secs Computing kpt #: 31 total cpu time spent up to now is 32.9 secs Computing kpt #: 32 total cpu time spent up to now is 34.0 secs Computing kpt #: 33 total cpu time spent up to now is 35.2 secs Computing kpt #: 34 total cpu time spent up to now is 36.3 secs Computing kpt #: 35 total cpu time spent up to now is 37.4 secs Computing kpt #: 36 total cpu time spent up to now is 38.4 secs Computing kpt #: 37 total cpu time spent up to now is 39.6 secs Computing kpt #: 38 total cpu time spent up to now is 40.7 secs Computing kpt #: 39 total cpu time spent up to now is 41.8 secs Computing kpt #: 40 total cpu time spent up to now is 42.9 secs Computing kpt #: 41 total cpu time spent up to now is 43.9 secs Computing kpt #: 42 total cpu time spent up to now is 44.9 secs Computing kpt #: 43 total cpu time spent up to now is 46.0 secs Computing kpt #: 44 total cpu time spent up to now is 47.1 secs Computing kpt #: 45 total cpu time spent up to now is 48.3 secs Computing kpt #: 46 total cpu time spent up to now is 49.4 secs Computing kpt #: 47 total cpu time spent up to now is 50.5 secs Computing kpt #: 48 total cpu time spent up to now is 51.6 secs Computing kpt #: 49 total cpu time spent up to now is 52.8 secs Computing kpt #: 50 total cpu time spent up to now is 53.8 secs Computing kpt #: 51 total cpu time spent up to now is 54.8 secs Computing kpt #: 52 total cpu time spent up to now is 55.8 secs Computing kpt #: 53 total cpu time spent up to now is 56.7 secs Computing kpt #: 54 total cpu time spent up to now is 57.7 secs Computing kpt #: 55 total cpu time spent up to now is 58.6 secs Computing kpt #: 56 total cpu time spent up to now is 59.6 secs Computing kpt #: 57 total cpu time spent up to now is 60.5 secs Computing kpt #: 58 total cpu time spent up to now is 61.4 secs Computing kpt #: 59 total cpu time spent up to now is 62.3 secs Computing kpt #: 60 total cpu time spent up to now is 63.2 secs Computing kpt #: 61 total cpu time spent up to now is 64.2 secs Computing kpt #: 62 total cpu time spent up to now is 65.1 secs Computing kpt #: 63 total cpu time spent up to now is 66.0 secs Computing kpt #: 64 total cpu time spent up to now is 66.9 secs Computing kpt #: 65 total cpu time spent up to now is 67.7 secs Computing kpt #: 66 total cpu time spent up to now is 68.6 secs Computing kpt #: 67 total cpu time spent up to now is 69.5 secs Computing kpt #: 68 total cpu time spent up to now is 70.4 secs Computing kpt #: 69 total cpu time spent up to now is 71.3 secs Computing kpt #: 70 total cpu time spent up to now is 72.2 secs Computing kpt #: 71 total cpu time spent up to now is 73.0 secs Computing kpt #: 72 total cpu time spent up to now is 73.9 secs Computing kpt #: 73 total cpu time spent up to now is 74.8 secs Computing kpt #: 74 total cpu time spent up to now is 75.7 secs Computing kpt #: 75 total cpu time spent up to now is 76.6 secs Computing kpt #: 76 total cpu time spent up to now is 77.5 secs Computing kpt #: 77 total cpu time spent up to now is 78.4 secs Computing kpt #: 78 total cpu time spent up to now is 79.2 secs Computing kpt #: 79 total cpu time spent up to now is 80.2 secs Computing kpt #: 80 total cpu time spent up to now is 81.0 secs Computing kpt #: 81 total cpu time spent up to now is 82.0 secs Computing kpt #: 82 total cpu time spent up to now is 82.9 secs Computing kpt #: 83 total cpu time spent up to now is 83.8 secs Computing kpt #: 84 total cpu time spent up to now is 84.7 secs Computing kpt #: 85 total cpu time spent up to now is 85.7 secs Computing kpt #: 86 total cpu time spent up to now is 86.8 secs Computing kpt #: 87 total cpu time spent up to now is 88.0 secs Computing kpt #: 88 total cpu time spent up to now is 89.2 secs Computing kpt #: 89 total cpu time spent up to now is 90.4 secs Computing kpt #: 90 total cpu time spent up to now is 91.7 secs Computing kpt #: 91 total cpu time spent up to now is 93.3 secs Computing kpt #: 92 total cpu time spent up to now is 94.6 secs Computing kpt #: 93 total cpu time spent up to now is 96.4 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 95 total cpu time spent up to now is 100.5 secs Computing kpt #: 96 total cpu time spent up to now is 102.0 secs Computing kpt #: 97 total cpu time spent up to now is 103.6 secs Computing kpt #: 98 total cpu time spent up to now is 106.2 secs Computing kpt #: 99 total cpu time spent up to now is 107.6 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.3 secs Computing kpt #: 101 total cpu time spent up to now is 111.8 secs Computing kpt #: 102 total cpu time spent up to now is 113.8 secs Computing kpt #: 103 total cpu time spent up to now is 115.3 secs Computing kpt #: 104 total cpu time spent up to now is 116.6 secs Computing kpt #: 105 total cpu time spent up to now is 118.9 secs Computing kpt #: 106 total cpu time spent up to now is 121.2 secs Computing kpt #: 107 total cpu time spent up to now is 123.2 secs Computing kpt #: 108 total cpu time spent up to now is 125.4 secs Computing kpt #: 109 total cpu time spent up to now is 127.7 secs Computing kpt #: 110 total cpu time spent up to now is 129.9 secs Computing kpt #: 111 total cpu time spent up to now is 132.2 secs Computing kpt #: 112 total cpu time spent up to now is 134.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.7 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.5 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.2 secs Computing kpt #: 117 total cpu time spent up to now is 147.9 secs Computing kpt #: 118 total cpu time spent up to now is 149.7 secs Computing kpt #: 119 total cpu time spent up to now is 151.4 secs Computing kpt #: 120 total cpu time spent up to now is 153.4 secs Computing kpt #: 121 total cpu time spent up to now is 155.5 secs Computing kpt #: 122 total cpu time spent up to now is 158.0 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.0 secs Computing kpt #: 126 total cpu time spent up to now is 169.6 secs Computing kpt #: 127 total cpu time spent up to now is 172.1 secs Computing kpt #: 128 total cpu time spent up to now is 174.1 secs Computing kpt #: 129 total cpu time spent up to now is 175.8 secs Computing kpt #: 130 total cpu time spent up to now is 177.1 secs Computing kpt #: 131 total cpu time spent up to now is 178.4 secs Computing kpt #: 132 total cpu time spent up to now is 179.6 secs Computing kpt #: 133 total cpu time spent up to now is 180.7 secs Computing kpt #: 134 total cpu time spent up to now is 181.9 secs Computing kpt #: 135 total cpu time spent up to now is 183.0 secs Computing kpt #: 136 total cpu time spent up to now is 184.1 secs Computing kpt #: 137 total cpu time spent up to now is 185.2 secs Computing kpt #: 138 total cpu time spent up to now is 186.3 secs Computing kpt #: 139 total cpu time spent up to now is 187.5 secs Computing kpt #: 140 total cpu time spent up to now is 188.5 secs Computing kpt #: 141 total cpu time spent up to now is 189.5 secs Computing kpt #: 142 total cpu time spent up to now is 190.4 secs Computing kpt #: 143 total cpu time spent up to now is 191.4 secs Computing kpt #: 144 total cpu time spent up to now is 192.4 secs Computing kpt #: 145 total cpu time spent up to now is 193.3 secs Computing kpt #: 146 total cpu time spent up to now is 194.3 secs Computing kpt #: 147 total cpu time spent up to now is 195.2 secs Computing kpt #: 148 total cpu time spent up to now is 196.1 secs Computing kpt #: 149 total cpu time spent up to now is 197.1 secs Computing kpt #: 150 total cpu time spent up to now is 198.0 secs Computing kpt #: 151 total cpu time spent up to now is 199.0 secs Computing kpt #: 152 total cpu time spent up to now is 199.9 secs Computing kpt #: 153 total cpu time spent up to now is 200.8 secs Computing kpt #: 154 total cpu time spent up to now is 201.8 secs Computing kpt #: 155 total cpu time spent up to now is 202.7 secs Computing kpt #: 156 total cpu time spent up to now is 203.7 secs Computing kpt #: 157 total cpu time spent up to now is 204.6 secs Computing kpt #: 158 total cpu time spent up to now is 205.6 secs Computing kpt #: 159 total cpu time spent up to now is 206.5 secs Computing kpt #: 160 total cpu time spent up to now is 207.5 secs Computing kpt #: 161 total cpu time spent up to now is 208.4 secs Computing kpt #: 162 total cpu time spent up to now is 209.3 secs Computing kpt #: 163 total cpu time spent up to now is 210.3 secs Computing kpt #: 164 total cpu time spent up to now is 211.2 secs Computing kpt #: 165 total cpu time spent up to now is 212.2 secs Computing kpt #: 166 total cpu time spent up to now is 213.1 secs Computing kpt #: 167 total cpu time spent up to now is 214.1 secs Computing kpt #: 168 total cpu time spent up to now is 215.0 secs Computing kpt #: 169 total cpu time spent up to now is 216.0 secs Computing kpt #: 170 total cpu time spent up to now is 216.9 secs Computing kpt #: 171 total cpu time spent up to now is 217.9 secs Computing kpt #: 172 total cpu time spent up to now is 218.8 secs Computing kpt #: 173 total cpu time spent up to now is 219.8 secs Computing kpt #: 174 total cpu time spent up to now is 220.8 secs Computing kpt #: 175 total cpu time spent up to now is 221.7 secs Computing kpt #: 176 total cpu time spent up to now is 222.8 secs Computing kpt #: 177 total cpu time spent up to now is 223.8 secs Computing kpt #: 178 total cpu time spent up to now is 224.9 secs Computing kpt #: 179 total cpu time spent up to now is 226.0 secs Computing kpt #: 180 total cpu time spent up to now is 227.1 secs Computing kpt #: 181 total cpu time spent up to now is 228.2 secs Computing kpt #: 182 total cpu time spent up to now is 229.3 secs Computing kpt #: 183 total cpu time spent up to now is 230.5 secs Computing kpt #: 184 total cpu time spent up to now is 231.6 secs Computing kpt #: 185 total cpu time spent up to now is 232.8 secs Computing kpt #: 186 total cpu time spent up to now is 234.0 secs Computing kpt #: 187 total cpu time spent up to now is 235.3 secs Computing kpt #: 188 total cpu time spent up to now is 236.8 secs Computing kpt #: 189 total cpu time spent up to now is 238.4 secs Computing kpt #: 190 total cpu time spent up to now is 240.3 secs Computing kpt #: 191 total cpu time spent up to now is 243.1 secs Computing kpt #: 192 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 246.2 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.1 secs Computing kpt #: 194 total cpu time spent up to now is 250.0 secs Computing kpt #: 195 total cpu time spent up to now is 251.0 secs Computing kpt #: 196 total cpu time spent up to now is 251.9 secs Computing kpt #: 197 total cpu time spent up to now is 252.9 secs Computing kpt #: 198 total cpu time spent up to now is 253.8 secs Computing kpt #: 199 total cpu time spent up to now is 254.8 secs Computing kpt #: 200 total cpu time spent up to now is 255.7 secs Computing kpt #: 201 total cpu time spent up to now is 256.7 secs Computing kpt #: 202 total cpu time spent up to now is 257.6 secs Computing kpt #: 203 total cpu time spent up to now is 258.6 secs Computing kpt #: 204 total cpu time spent up to now is 259.6 secs Computing kpt #: 205 total cpu time spent up to now is 260.8 secs Computing kpt #: 206 total cpu time spent up to now is 261.9 secs Computing kpt #: 207 total cpu time spent up to now is 263.0 secs Computing kpt #: 208 total cpu time spent up to now is 264.2 secs Computing kpt #: 209 total cpu time spent up to now is 265.4 secs Computing kpt #: 210 total cpu time spent up to now is 266.6 secs Computing kpt #: 211 total cpu time spent up to now is 268.0 secs Computing kpt #: 212 total cpu time spent up to now is 269.4 secs Computing kpt #: 213 total cpu time spent up to now is 270.9 secs Computing kpt #: 214 total cpu time spent up to now is 272.4 secs Computing kpt #: 215 total cpu time spent up to now is 273.9 secs Computing kpt #: 216 total cpu time spent up to now is 275.0 secs Computing kpt #: 217 total cpu time spent up to now is 276.1 secs Computing kpt #: 218 total cpu time spent up to now is 277.1 secs Computing kpt #: 219 total cpu time spent up to now is 278.3 secs Computing kpt #: 220 total cpu time spent up to now is 279.5 secs Computing kpt #: 221 total cpu time spent up to now is 280.7 secs Computing kpt #: 222 total cpu time spent up to now is 281.9 secs Computing kpt #: 223 total cpu time spent up to now is 283.1 secs Computing kpt #: 224 total cpu time spent up to now is 284.3 secs Computing kpt #: 225 total cpu time spent up to now is 285.5 secs Computing kpt #: 226 total cpu time spent up to now is 286.7 secs Computing kpt #: 227 total cpu time spent up to now is 287.9 secs Computing kpt #: 228 total cpu time spent up to now is 289.0 secs Computing kpt #: 229 total cpu time spent up to now is 290.2 secs Computing kpt #: 230 total cpu time spent up to now is 291.4 secs Computing kpt #: 231 total cpu time spent up to now is 292.6 secs Computing kpt #: 232 total cpu time spent up to now is 293.7 secs Computing kpt #: 233 total cpu time spent up to now is 294.9 secs Computing kpt #: 234 total cpu time spent up to now is 296.1 secs Computing kpt #: 235 total cpu time spent up to now is 297.2 secs Computing kpt #: 236 total cpu time spent up to now is 298.4 secs Computing kpt #: 237 total cpu time spent up to now is 299.5 secs Computing kpt #: 238 total cpu time spent up to now is 300.7 secs Computing kpt #: 239 total cpu time spent up to now is 301.9 secs Computing kpt #: 240 total cpu time spent up to now is 303.0 secs Computing kpt #: 241 total cpu time spent up to now is 304.2 secs Computing kpt #: 242 total cpu time spent up to now is 305.3 secs Computing kpt #: 243 total cpu time spent up to now is 306.5 secs Computing kpt #: 244 total cpu time spent up to now is 307.6 secs Computing kpt #: 245 total cpu time spent up to now is 308.8 secs Computing kpt #: 246 total cpu time spent up to now is 309.9 secs Computing kpt #: 247 total cpu time spent up to now is 311.0 secs Computing kpt #: 248 total cpu time spent up to now is 312.2 secs Computing kpt #: 249 total cpu time spent up to now is 313.5 secs Computing kpt #: 250 total cpu time spent up to now is 314.6 secs Computing kpt #: 251 total cpu time spent up to now is 315.6 secs Computing kpt #: 252 total cpu time spent up to now is 316.6 secs Computing kpt #: 253 total cpu time spent up to now is 317.7 secs Computing kpt #: 254 total cpu time spent up to now is 318.9 secs Computing kpt #: 255 total cpu time spent up to now is 320.0 secs Computing kpt #: 256 total cpu time spent up to now is 321.4 secs Computing kpt #: 257 total cpu time spent up to now is 322.7 secs Computing kpt #: 258 total cpu time spent up to now is 323.8 secs Computing kpt #: 259 total cpu time spent up to now is 325.0 secs Computing kpt #: 260 total cpu time spent up to now is 326.1 secs Computing kpt #: 261 total cpu time spent up to now is 327.3 secs Computing kpt #: 262 total cpu time spent up to now is 328.4 secs Computing kpt #: 263 total cpu time spent up to now is 329.6 secs Computing kpt #: 264 total cpu time spent up to now is 330.7 secs Computing kpt #: 265 total cpu time spent up to now is 331.8 secs Computing kpt #: 266 total cpu time spent up to now is 332.9 secs Computing kpt #: 267 total cpu time spent up to now is 334.0 secs Computing kpt #: 268 total cpu time spent up to now is 335.2 secs Computing kpt #: 269 total cpu time spent up to now is 336.3 secs Computing kpt #: 270 total cpu time spent up to now is 337.5 secs Computing kpt #: 271 total cpu time spent up to now is 338.6 secs Computing kpt #: 272 total cpu time spent up to now is 339.8 secs Computing kpt #: 273 total cpu time spent up to now is 340.9 secs Computing kpt #: 274 total cpu time spent up to now is 342.1 secs Computing kpt #: 275 total cpu time spent up to now is 343.2 secs Computing kpt #: 276 total cpu time spent up to now is 344.3 secs Computing kpt #: 277 total cpu time spent up to now is 345.5 secs Computing kpt #: 278 total cpu time spent up to now is 346.6 secs Computing kpt #: 279 total cpu time spent up to now is 347.7 secs Computing kpt #: 280 total cpu time spent up to now is 348.9 secs Computing kpt #: 281 total cpu time spent up to now is 350.0 secs Computing kpt #: 282 total cpu time spent up to now is 351.1 secs Computing kpt #: 283 total cpu time spent up to now is 352.2 secs Computing kpt #: 284 total cpu time spent up to now is 353.4 secs Computing kpt #: 285 total cpu time spent up to now is 354.6 secs Computing kpt #: 286 total cpu time spent up to now is 355.7 secs Computing kpt #: 287 total cpu time spent up to now is 356.9 secs Computing kpt #: 288 total cpu time spent up to now is 358.0 secs Computing kpt #: 289 total cpu time spent up to now is 359.2 secs Computing kpt #: 290 total cpu time spent up to now is 360.3 secs Computing kpt #: 291 total cpu time spent up to now is 361.4 secs Computing kpt #: 292 total cpu time spent up to now is 362.5 secs Computing kpt #: 293 total cpu time spent up to now is 363.7 secs Computing kpt #: 294 total cpu time spent up to now is 364.6 secs Computing kpt #: 295 total cpu time spent up to now is 365.7 secs Computing kpt #: 296 total cpu time spent up to now is 366.6 secs Computing kpt #: 297 total cpu time spent up to now is 367.6 secs Computing kpt #: 298 total cpu time spent up to now is 368.6 secs Computing kpt #: 299 total cpu time spent up to now is 369.5 secs Computing kpt #: 300 total cpu time spent up to now is 370.5 secs Computing kpt #: 301 total cpu time spent up to now is 371.4 secs Computing kpt #: 302 total cpu time spent up to now is 372.4 secs Computing kpt #: 303 total cpu time spent up to now is 373.3 secs ethr = 1.56E-08, avg # of iterations = 29.7 total cpu time spent up to now is 373.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4871 PWs) bands (ev): -10.8168 -10.8168 -10.0840 -10.0840 -7.9550 -7.9550 -7.9536 -7.9536 -7.4806 -7.4806 -7.4794 -7.4794 -7.4472 -7.4472 -5.8527 -5.8527 -0.5671 -0.5671 -0.5610 -0.5610 -0.4813 -0.4813 -0.4758 -0.4758 0.2793 0.2793 1.6845 1.6845 1.6871 1.6871 3.6915 3.6915 3.8332 3.8332 4.1282 4.1282 4.1348 4.1348 4.9928 4.9928 5.0246 5.0246 5.0547 5.0547 5.0547 5.0547 5.4889 5.4889 5.4891 5.4891 6.2948 6.2948 6.5850 6.5850 6.6483 6.6483 6.6511 6.6511 6.8004 6.8004 6.8089 6.8089 8.2260 8.2260 12.5749 12.5749 12.7140 12.7140 12.8686 12.8686 12.8740 12.8740 13.3277 13.3277 13.3316 13.3316 k = 0.0208 0.0120-0.0000 ( 4889 PWs) bands (ev): -10.8162 -10.8162 -10.0848 -10.0848 -7.9593 -7.9593 -7.9563 -7.9563 -7.4771 -7.4771 -7.4757 -7.4757 -7.4451 -7.4451 -5.8538 -5.8538 -0.5947 -0.5947 -0.5885 -0.5885 -0.4636 -0.4636 -0.4519 -0.4519 0.2920 0.2920 1.6864 1.6864 1.6892 1.6892 3.6931 3.6931 3.8339 3.8339 4.1265 4.1265 4.1334 4.1334 4.9925 4.9925 5.0219 5.0219 5.0532 5.0532 5.0540 5.0540 5.4901 5.4901 5.4926 5.4926 6.2950 6.2950 6.5845 6.5845 6.6432 6.6432 6.6470 6.6470 6.8022 6.8022 6.8110 6.8110 8.2246 8.2246 12.5760 12.5760 12.7151 12.7151 12.8705 12.8705 12.8761 12.8761 13.3279 13.3279 13.3321 13.3321 k = 0.0417 0.0241-0.0000 ( 4891 PWs) bands (ev): -10.8143 -10.8143 -10.0871 -10.0871 -7.9732 -7.9732 -7.9628 -7.9628 -7.4680 -7.4680 -7.4669 -7.4669 -7.4359 -7.4359 -5.8573 -5.8573 -0.6522 -0.6522 -0.6379 -0.6379 -0.4406 -0.4406 -0.4060 -0.4060 0.3285 0.3285 1.6913 1.6913 1.6964 1.6964 3.6980 3.6980 3.8360 3.8360 4.1207 4.1207 4.1303 4.1303 4.9915 4.9915 5.0131 5.0131 5.0501 5.0501 5.0519 5.0519 5.4933 5.4933 5.5029 5.5029 6.2954 6.2954 6.5831 6.5831 6.6272 6.6272 6.6371 6.6371 6.8056 6.8056 6.8185 6.8185 8.2205 8.2205 12.5794 12.5794 12.7182 12.7182 12.8751 12.8751 12.8838 12.8838 13.3276 13.3276 13.3345 13.3345 k = 0.0625 0.0361-0.0000 ( 4897 PWs) bands (ev): -10.8113 -10.8113 -10.0910 -10.0910 -7.9943 -7.9943 -7.9727 -7.9727 -7.4612 -7.4612 -7.4526 -7.4526 -7.4145 -7.4145 -5.8631 -5.8631 -0.7236 -0.7236 -0.6900 -0.6900 -0.4252 -0.4252 -0.3568 -0.3568 0.3849 0.3849 1.6987 1.6987 1.7090 1.7090 3.7060 3.7060 3.8396 3.8396 4.1095 4.1095 4.1265 4.1265 4.9897 4.9897 4.9973 4.9973 5.0474 5.0474 5.0485 5.0485 5.4985 5.4985 5.5188 5.5188 6.2961 6.2961 6.5806 6.5806 6.6017 6.6017 6.6230 6.6230 6.8078 6.8078 6.8312 6.8312 8.2138 8.2138 12.5850 12.5850 12.7223 12.7223 12.8823 12.8823 12.8978 12.8978 13.3264 13.3264 13.3395 13.3395 k = 0.0833 0.0481-0.0000 ( 4887 PWs) bands (ev): -10.8070 -10.8070 -10.0964 -10.0964 -8.0205 -8.0205 -7.9856 -7.9856 -7.4578 -7.4578 -7.4328 -7.4328 -7.3826 -7.3826 -5.8712 -5.8712 -0.8023 -0.8023 -0.7426 -0.7426 -0.4177 -0.4177 -0.3080 -0.3080 0.4565 0.4565 1.7087 1.7087 1.7270 1.7270 3.7169 3.7169 3.8445 3.8445 4.0936 4.0936 4.1219 4.1219 4.9739 4.9739 4.9884 4.9884 5.0441 5.0441 5.0457 5.0457 5.5055 5.5055 5.5392 5.5392 6.2971 6.2971 6.5671 6.5671 6.5782 6.5782 6.6060 6.6060 6.8083 6.8083 6.8473 6.8473 8.2045 8.2045 12.5928 12.5928 12.7263 12.7263 12.8935 12.8935 12.9176 12.9176 13.3248 13.3248 13.3470 13.3470 k = 0.1042 0.0601-0.0000 ( 4895 PWs) bands (ev): -10.8015 -10.8015 -10.1033 -10.1033 -8.0500 -8.0500 -8.0007 -8.0007 -7.4555 -7.4555 -7.4089 -7.4089 -7.3440 -7.3440 -5.8816 -5.8816 -0.8851 -0.8851 -0.7947 -0.7947 -0.4168 -0.4168 -0.2606 -0.2606 0.5390 0.5390 1.7210 1.7210 1.7502 1.7502 3.7302 3.7302 3.8508 3.8508 4.0733 4.0733 4.1163 4.1163 4.9466 4.9466 4.9858 4.9858 5.0387 5.0387 5.0446 5.0446 5.5143 5.5143 5.5626 5.5626 6.2984 6.2984 6.5269 6.5269 6.5734 6.5734 6.5874 6.5874 6.8068 6.8068 6.8654 6.8654 8.1925 8.1925 12.6027 12.6027 12.7287 12.7287 12.9097 12.9097 12.9428 12.9428 13.3234 13.3234 13.3569 13.3569 k = 0.1250 0.0722-0.0000 ( 4895 PWs) bands (ev): -10.7949 -10.7949 -10.1116 -10.1116 -8.0811 -8.0811 -8.0173 -8.0173 -7.4534 -7.4534 -7.3817 -7.3817 -7.3011 -7.3011 -5.8942 -5.8942 -0.9700 -0.9700 -0.8459 -0.8459 -0.4208 -0.4208 -0.2151 -0.2151 0.6292 0.6292 1.7354 1.7354 1.7787 1.7787 3.7452 3.7452 3.8585 3.8585 4.0492 4.0492 4.1098 4.1098 4.9157 4.9157 4.9830 4.9830 5.0325 5.0325 5.0438 5.0438 5.5244 5.5244 5.5881 5.5881 6.3000 6.3000 6.4801 6.4801 6.5648 6.5648 6.5710 6.5710 6.8031 6.8031 6.8849 6.8849 8.1780 8.1780 12.6147 12.6147 12.7287 12.7287 12.9315 12.9315 12.9730 12.9730 13.3226 13.3226 13.3694 13.3694 k = 0.1458 0.0842-0.0000 ( 4891 PWs) bands (ev): -10.7871 -10.7871 -10.1213 -10.1213 -8.1130 -8.1130 -8.0348 -8.0348 -7.4513 -7.4513 -7.3519 -7.3519 -7.2553 -7.2553 -5.9090 -5.9090 -1.0555 -1.0555 -0.8958 -0.8958 -0.4285 -0.4285 -0.1720 -0.1720 0.7245 0.7245 1.7514 1.7514 1.8123 1.8123 3.7607 3.7607 3.8675 3.8675 4.0219 4.0219 4.1029 4.1029 4.8823 4.8823 4.9801 4.9801 5.0256 5.0256 5.0431 5.0431 5.5358 5.5358 5.6146 5.6146 6.3018 6.3018 6.4277 6.4277 6.5456 6.5456 6.5638 6.5638 6.7972 6.7972 6.9055 6.9055 8.1610 8.1610 12.6287 12.6287 12.7261 12.7261 12.9583 12.9583 13.0077 13.0077 13.3229 13.3229 13.3847 13.3847 k = 0.1667 0.0962-0.0000 ( 4889 PWs) bands (ev): -10.7782 -10.7782 -10.1323 -10.1323 -8.1448 -8.1448 -8.0526 -8.0526 -7.4492 -7.4492 -7.3200 -7.3200 -7.2076 -7.2076 -5.9259 -5.9259 -1.1404 -1.1404 -0.9441 -0.9441 -0.4389 -0.4389 -0.1315 -0.1315 0.8231 0.8231 1.7689 1.7689 1.8511 1.8511 3.7746 3.7746 3.8779 3.8779 3.9925 3.9925 4.0967 4.0967 4.8472 4.8472 4.9771 4.9771 5.0184 5.0184 5.0426 5.0426 5.5482 5.5482 5.6416 5.6416 6.3040 6.3040 6.3702 6.3702 6.5249 6.5249 6.5572 6.5572 6.7895 6.7895 6.9269 6.9269 8.1417 8.1417 12.6445 12.6445 12.7212 12.7212 12.9894 12.9894 13.0464 13.0464 13.3248 13.3248 13.4033 13.4033 k = 0.1875 0.1083-0.0000 ( 4891 PWs) bands (ev): -10.7683 -10.7683 -10.1446 -10.1446 -8.1759 -8.1759 -8.0705 -8.0705 -7.4470 -7.4470 -7.2867 -7.2867 -7.1587 -7.1587 -5.9450 -5.9450 -1.2238 -1.2238 -0.9906 -0.9906 -0.4513 -0.4513 -0.0939 -0.0939 0.9236 0.9236 1.7873 1.7873 1.8949 1.8949 3.7833 3.7833 3.8896 3.8896 3.9626 3.9626 4.0929 4.0929 4.8109 4.8109 4.9742 4.9742 5.0109 5.0109 5.0420 5.0420 5.5612 5.5612 5.6686 5.6686 6.3050 6.3050 6.3093 6.3093 6.5042 6.5042 6.5499 6.5499 6.7802 6.7802 6.9491 6.9491 8.1201 8.1201 12.6614 12.6614 12.7150 12.7150 13.0232 13.0232 13.0882 13.0882 13.3288 13.3288 13.4260 13.4260 k = 0.2083 0.1203-0.0000 ( 4892 PWs) bands (ev): -10.7573 -10.7573 -10.1580 -10.1580 -8.2059 -8.2059 -8.0880 -8.0880 -7.4447 -7.4447 -7.2523 -7.2523 -7.1092 -7.1092 -5.9660 -5.9660 -1.3049 -1.3049 -1.0349 -1.0349 -0.4650 -0.4650 -0.0593 -0.0593 1.0249 1.0249 1.8063 1.8063 1.9436 1.9436 3.7820 3.7820 3.9026 3.9026 3.9341 3.9341 4.0944 4.0944 4.7739 4.7739 4.9716 4.9716 5.0033 5.0033 5.0415 5.0415 5.5748 5.5748 5.6950 5.6950 6.2415 6.2415 6.3093 6.3093 6.4838 6.4838 6.5421 6.5421 6.7695 6.7695 6.9719 6.9719 8.0965 8.0965 12.6769 12.6769 12.7103 12.7103 13.0579 13.0579 13.1324 13.1324 13.3354 13.3354 13.4535 13.4535 k = 0.2292 0.1323-0.0000 ( 4892 PWs) bands (ev): -10.7454 -10.7454 -10.1725 -10.1725 -8.2345 -8.2345 -8.1051 -8.1051 -7.4424 -7.4424 -7.2173 -7.2173 -7.0596 -7.0596 -5.9889 -5.9889 -1.3833 -1.3833 -1.0770 -1.0770 -0.4795 -0.4795 -0.0277 -0.0277 1.1261 1.1261 1.8256 1.8256 1.9969 1.9969 3.7666 3.7666 3.9078 3.9078 3.9171 3.9171 4.1042 4.1042 4.7364 4.7364 4.9694 4.9694 4.9957 4.9957 5.0410 5.0410 5.5887 5.5887 5.7206 5.7206 6.1715 6.1715 6.3124 6.3124 6.4641 6.4641 6.5337 6.5337 6.7577 6.7577 6.9954 6.9954 8.0710 8.0710 12.6816 12.6816 12.7170 12.7170 13.0916 13.0916 13.1777 13.1777 13.3454 13.3454 13.4866 13.4866 k = 0.2500 0.1443-0.0000 ( 4902 PWs) bands (ev): -10.7327 -10.7327 -10.1880 -10.1880 -8.2616 -8.2616 -8.1213 -8.1213 -7.4400 -7.4400 -7.1822 -7.1822 -7.0101 -7.0101 -6.0137 -6.0137 -1.4582 -1.4582 -1.1166 -1.1166 -0.4944 -0.4944 0.0008 0.0008 1.2264 1.2264 1.8447 1.8447 2.0545 2.0545 3.7369 3.7369 3.8823 3.8823 3.9324 3.9324 4.1245 4.1245 4.6988 4.6988 4.9678 4.9678 4.9883 4.9883 5.0405 5.0405 5.6027 5.6027 5.7451 5.7451 6.0982 6.0982 6.3158 6.3158 6.4453 6.4453 6.5247 6.5247 6.7453 6.7453 7.0193 7.0193 8.0439 8.0439 12.6743 12.6743 12.7365 12.7365 13.1223 13.1223 13.2226 13.2226 13.3600 13.3600 13.5262 13.5262 k = 0.2708 0.1564-0.0000 ( 4904 PWs) bands (ev): -10.7191 -10.7191 -10.2043 -10.2043 -8.2868 -8.2868 -8.1367 -8.1367 -7.4377 -7.4377 -7.1473 -7.1473 -6.9612 -6.9612 -6.0402 -6.0402 -1.5292 -1.5292 -1.1535 -1.1535 -0.5093 -0.5093 0.0263 0.0263 1.3251 1.3251 1.8635 1.8635 2.1161 2.1161 3.6968 3.6968 3.8541 3.8541 3.9490 3.9490 4.1549 4.1549 4.6614 4.6614 4.9668 4.9668 4.9812 4.9812 5.0400 5.0400 5.6165 5.6165 5.7683 5.7683 6.0223 6.0223 6.3196 6.3196 6.4275 6.4275 6.5153 6.5153 6.7325 6.7325 7.0438 7.0438 8.0154 8.0154 12.6636 12.6636 12.7605 12.7605 13.1484 13.1484 13.2644 13.2644 13.3816 13.3816 13.5725 13.5725 k = 0.2917 0.1684-0.0000 ( 4896 PWs) bands (ev): -10.7049 -10.7049 -10.2212 -10.2212 -8.3101 -8.3101 -8.1510 -8.1510 -7.4354 -7.4354 -7.1130 -7.1130 -6.9130 -6.9130 -6.0683 -6.0683 -1.5959 -1.5959 -1.1876 -1.1876 -0.5239 -0.5239 0.0489 0.0489 1.4214 1.4214 1.8815 1.8815 2.1811 2.1811 3.6498 3.6498 3.8214 3.8214 3.9667 3.9667 4.1938 4.1938 4.6243 4.6243 4.9666 4.9666 4.9745 4.9745 5.0396 5.0396 5.6300 5.6300 5.7900 5.7900 5.9443 5.9443 6.3237 6.3237 6.4110 6.4110 6.5056 6.5056 6.7196 6.7196 7.0687 7.0687 7.9860 7.9860 12.6518 12.6518 12.7868 12.7868 13.1688 13.1688 13.3000 13.3000 13.4126 13.4126 13.6251 13.6251 k = 0.3125 0.1804-0.0000 ( 4904 PWs) bands (ev): -10.6902 -10.6902 -10.2385 -10.2385 -8.3314 -8.3314 -8.1642 -8.1642 -7.4332 -7.4332 -7.0799 -7.0799 -6.8658 -6.8658 -6.0978 -6.0978 -1.6577 -1.6577 -1.2189 -1.2189 -0.5379 -0.5379 0.0687 0.0687 1.5145 1.5145 1.8984 1.8984 2.2490 2.2490 3.5985 3.5985 3.7841 3.7841 3.9854 3.9854 4.2391 4.2391 4.5877 4.5877 4.9667 4.9667 4.9689 4.9689 5.0392 5.0392 5.6429 5.6429 5.8098 5.8098 5.8648 5.8648 6.3281 6.3281 6.3959 6.3959 6.4956 6.4956 6.7070 6.7070 7.0937 7.0937 7.9560 7.9560 12.6400 12.6400 12.8146 12.8146 13.1829 13.1829 13.3283 13.3283 13.4535 13.4535 13.6833 13.6833 k = 0.3333 0.1925-0.0000 ( 4912 PWs) bands (ev): -10.6751 -10.6751 -10.2561 -10.2561 -8.3505 -8.3505 -8.1762 -8.1762 -7.4311 -7.4311 -7.0483 -7.0483 -6.8198 -6.8198 -6.1285 -6.1285 -1.7144 -1.7144 -1.2471 -1.2471 -0.5511 -0.5511 0.0858 0.0858 1.6036 1.6036 1.9142 1.9142 2.3191 2.3191 3.5445 3.5445 3.7430 3.7430 4.0049 4.0049 4.2889 4.2889 4.5520 4.5520 4.9620 4.9620 4.9697 4.9697 5.0387 5.0387 5.6551 5.6551 5.7839 5.7839 5.8284 5.8284 6.3328 6.3328 6.3822 6.3822 6.4856 6.4856 6.6948 6.6948 7.1187 7.1187 7.9258 7.9258 12.6284 12.6284 12.8436 12.8436 13.1909 13.1909 13.3511 13.3511 13.5011 13.5011 13.7459 13.7459 k = 0.3542 0.2045-0.0000 ( 4908 PWs) bands (ev): -10.6598 -10.6598 -10.2737 -10.2737 -8.3675 -8.3675 -8.1869 -8.1869 -7.4292 -7.4292 -7.0188 -7.0188 -6.7751 -6.7751 -6.1602 -6.1602 -1.7654 -1.7654 -1.2722 -1.2722 -0.5632 -0.5632 0.1005 0.1005 1.6878 1.6878 1.9286 1.9286 2.3906 2.3906 3.4889 3.4889 3.6991 3.6991 4.0252 4.0252 4.3418 4.3418 4.5173 4.5173 4.9568 4.9568 4.9729 4.9729 5.0384 5.0384 5.6664 5.6664 5.7035 5.7035 5.8445 5.8445 6.3378 6.3378 6.3702 6.3702 6.4756 6.4756 6.6835 6.6835 7.1434 7.1434 7.8960 7.8960 12.6175 12.6175 12.8734 12.8734 13.1932 13.1932 13.3706 13.3706 13.5517 13.5517 13.8115 13.8115 k = 0.3750 0.2165-0.0000 ( 4910 PWs) bands (ev): -10.6447 -10.6447 -10.2910 -10.2910 -8.3823 -8.3823 -8.1962 -8.1962 -7.4274 -7.4274 -6.9919 -6.9919 -6.7320 -6.7320 -6.1925 -6.1925 -1.8104 -1.8104 -1.2942 -1.2942 -0.5740 -0.5740 0.1129 0.1129 1.7658 1.7658 1.9413 1.9413 2.4624 2.4624 3.4330 3.4330 3.6537 3.6537 4.0458 4.0458 4.3960 4.3960 4.4840 4.4840 4.9521 4.9521 4.9778 4.9778 5.0380 5.0380 5.6237 5.6237 5.6766 5.6766 5.8588 5.8588 6.3429 6.3429 6.3600 6.3600 6.4656 6.4656 6.6731 6.6731 7.1672 7.1672 7.8672 7.8672 12.6076 12.6076 12.9038 12.9038 13.1902 13.1902 13.3880 13.3880 13.6023 13.6023 13.8785 13.8785 k = 0.3958 0.2285-0.0000 ( 4914 PWs) bands (ev): -10.6301 -10.6301 -10.3074 -10.3074 -8.3949 -8.3949 -8.2042 -8.2042 -7.4259 -7.4259 -6.9681 -6.9681 -6.6907 -6.6907 -6.2251 -6.2251 -1.8491 -1.8491 -1.3128 -1.3128 -0.5835 -0.5835 0.1230 0.1230 1.8364 1.8364 1.9523 1.9523 2.5331 2.5331 3.3778 3.3778 3.6086 3.6086 4.0665 4.0665 4.4490 4.4490 4.4531 4.4531 4.9481 4.9481 4.9848 4.9848 5.0377 5.0377 5.5459 5.5459 5.6856 5.6856 5.8709 5.8709 6.3465 6.3465 6.3532 6.3532 6.4560 6.4560 6.6639 6.6639 7.1896 7.1896 7.8403 7.8403 12.5988 12.5988 12.9344 12.9344 13.1826 13.1826 13.4034 13.4034 13.6506 13.6506 13.9452 13.9452 k = 0.4167 0.2406-0.0000 ( 4920 PWs) bands (ev): -10.6165 -10.6165 -10.3226 -10.3226 -8.4052 -8.4052 -8.2108 -8.2108 -7.4246 -7.4246 -6.9478 -6.9478 -6.6519 -6.6519 -6.2572 -6.2572 -1.8812 -1.8812 -1.3281 -1.3281 -0.5914 -0.5914 0.1312 0.1312 1.8979 1.8979 1.9615 1.9615 2.6010 2.6010 3.3246 3.3246 3.5658 3.5658 4.0867 4.0867 4.4233 4.4233 4.5005 4.5005 4.9448 4.9448 4.9942 4.9942 5.0375 5.0375 5.4716 5.4716 5.6931 5.6931 5.8809 5.8809 6.3425 6.3425 6.3557 6.3557 6.4469 6.4469 6.6561 6.6561 7.2100 7.2100 7.8160 7.8160 12.5914 12.5914 12.9648 12.9648 13.1709 13.1709 13.4167 13.4167 13.6944 13.6944 14.0088 14.0088 k = 0.4375 0.2526-0.0000 ( 4918 PWs) bands (ev): -10.6047 -10.6047 -10.3358 -10.3358 -8.4133 -8.4133 -8.2160 -8.2160 -7.4236 -7.4236 -6.9315 -6.9315 -6.6164 -6.6164 -6.2876 -6.2876 -1.9065 -1.9065 -1.3401 -1.3401 -0.5976 -0.5976 0.1374 0.1374 1.9485 1.9485 1.9688 1.9688 2.6633 2.6633 3.2754 3.2754 3.5279 3.5279 4.1054 4.1054 4.3977 4.3977 4.5457 4.5457 4.9422 4.9422 5.0067 5.0067 5.0373 5.0373 5.4034 5.4034 5.6992 5.6992 5.8888 5.8888 6.3373 6.3373 6.3607 6.3607 6.4387 6.4387 6.6500 6.6500 7.2273 7.2273 7.7954 7.7954 12.5854 12.5854 12.9944 12.9944 13.1556 13.1556 13.4275 13.4275 13.7316 13.7316 14.0635 14.0635 k = 0.4583 0.2646-0.0000 ( 4922 PWs) bands (ev): -10.5952 -10.5952 -10.3461 -10.3461 -8.4190 -8.4190 -8.2197 -8.2197 -7.4228 -7.4228 -6.9196 -6.9196 -6.5862 -6.5862 -6.3143 -6.3143 -1.9247 -1.9247 -1.3487 -1.3487 -0.6021 -0.6021 0.1417 0.1417 1.9736 1.9736 1.9870 1.9870 2.7159 2.7159 3.2334 3.2334 3.4979 3.4979 4.1212 4.1212 4.3769 4.3769 4.5816 4.5816 4.9403 4.9403 5.0215 5.0215 5.0371 5.0371 5.3451 5.3451 5.7035 5.7035 5.8944 5.8944 6.3334 6.3334 6.3654 6.3654 6.4318 6.4318 6.6454 6.6454 7.2407 7.2407 7.7796 7.7796 12.5811 12.5811 13.0224 13.0224 13.1379 13.1379 13.4355 13.4355 13.7601 13.7601 14.1002 14.1002 k = 0.4792 0.2766-0.0000 ( 4918 PWs) bands (ev): -10.5891 -10.5891 -10.3528 -10.3528 -8.4224 -8.4224 -8.2219 -8.2219 -7.4224 -7.4224 -6.9123 -6.9123 -6.5648 -6.5648 -6.3337 -6.3337 -1.9356 -1.9356 -1.3539 -1.3539 -0.6049 -0.6049 0.1443 0.1443 1.9769 1.9769 2.0106 2.0106 2.7526 2.7526 3.2037 3.2037 3.4784 3.4784 4.1321 4.1321 4.3630 4.3630 4.6050 4.6050 4.9392 4.9392 5.0351 5.0351 5.0373 5.0373 5.3033 5.3033 5.7062 5.7062 5.8977 5.8977 6.3311 6.3311 6.3689 6.3689 6.4271 6.4271 6.6427 6.6427 7.2492 7.2492 7.7696 7.7696 12.5785 12.5785 13.0466 13.0466 13.1198 13.1198 13.4405 13.4405 13.7780 13.7780 14.1167 14.1167 k = 0.5000 0.2887-0.0000 ( 4922 PWs) bands (ev): -10.5870 -10.5870 -10.3551 -10.3551 -8.4236 -8.4236 -8.2226 -8.2226 -7.4222 -7.4222 -6.9098 -6.9098 -6.5568 -6.5568 -6.3411 -6.3411 -1.9393 -1.9393 -1.3556 -1.3556 -0.6058 -0.6058 0.1452 0.1452 1.9780 1.9780 2.0186 2.0186 2.7661 2.7661 3.1926 3.1926 3.4717 3.4717 4.1360 4.1360 4.3581 4.3581 4.6131 4.6131 4.9388 4.9388 5.0369 5.0369 5.0416 5.0416 5.2876 5.2876 5.7071 5.7071 5.8989 5.8989 6.3303 6.3303 6.3702 6.3702 6.4254 6.4254 6.6417 6.6417 7.2522 7.2522 7.7662 7.7662 12.5776 12.5776 13.0585 13.0585 13.1099 13.1099 13.4422 13.4422 13.7842 13.7842 14.1210 14.1210 k = 0.5000 0.2887-0.0000 ( 4922 PWs) bands (ev): -10.5870 -10.5870 -10.3551 -10.3551 -8.4236 -8.4236 -8.2226 -8.2226 -7.4222 -7.4222 -6.9098 -6.9098 -6.5568 -6.5568 -6.3411 -6.3411 -1.9393 -1.9393 -1.3556 -1.3556 -0.6058 -0.6058 0.1452 0.1452 1.9780 1.9780 2.0186 2.0186 2.7661 2.7661 3.1926 3.1926 3.4717 3.4717 4.1360 4.1360 4.3581 4.3581 4.6131 4.6131 4.9388 4.9388 5.0369 5.0369 5.0416 5.0416 5.2876 5.2876 5.7071 5.7071 5.8989 5.8989 6.3303 6.3303 6.3702 6.3702 6.4254 6.4254 6.6417 6.6417 7.2522 7.2522 7.7662 7.7662 12.5776 12.5776 13.0585 13.0585 13.1099 13.1099 13.4422 13.4422 13.7842 13.7842 14.1210 14.1210 k = 0.4881 0.3093-0.0000 ( 4912 PWs) bands (ev): -10.5863 -10.5863 -10.3558 -10.3558 -8.4286 -8.4286 -8.2162 -8.2162 -7.4261 -7.4261 -6.9062 -6.9062 -6.5567 -6.5567 -6.3418 -6.3418 -1.9425 -1.9425 -1.3521 -1.3521 -0.6091 -0.6091 0.1458 0.1458 1.9807 1.9807 2.0228 2.0228 2.7645 2.7645 3.1911 3.1911 3.4691 3.4691 4.1368 4.1368 4.3581 4.3581 4.6140 4.6140 4.9271 4.9271 5.0434 5.0434 5.0489 5.0489 5.2888 5.2888 5.7044 5.7044 5.9007 5.9007 6.3191 6.3191 6.3701 6.3701 6.4253 6.4253 6.6502 6.6502 7.2524 7.2524 7.7642 7.7642 12.5805 12.5805 13.0584 13.0584 13.1098 13.1098 13.4446 13.4446 13.7830 13.7830 14.1183 14.1183 k = 0.4762 0.3299-0.0000 ( 4912 PWs) bands (ev): -10.5845 -10.5845 -10.3576 -10.3576 -8.4420 -8.4420 -8.1987 -8.1987 -7.4372 -7.4372 -6.8958 -6.8958 -6.5564 -6.5564 -6.3441 -6.3441 -1.9518 -1.9518 -1.3419 -1.3419 -0.6188 -0.6188 0.1476 0.1476 1.9890 1.9890 2.0352 2.0352 2.7600 2.7600 3.1865 3.1865 3.4614 3.4614 4.1390 4.1390 4.3582 4.3582 4.6169 4.6169 4.9014 4.9014 5.0489 5.0489 5.0755 5.0755 5.2924 5.2924 5.6967 5.6967 5.9057 5.9057 6.2884 6.2884 6.3702 6.3702 6.4248 6.4248 6.6723 6.6723 7.2529 7.2529 7.7584 7.7584 12.5891 12.5891 13.0581 13.0581 13.1093 13.1093 13.4518 13.4518 13.7796 13.7796 14.1102 14.1102 k = 0.4643 0.3505-0.0000 ( 4908 PWs) bands (ev): -10.5814 -10.5814 -10.3608 -10.3608 -8.4603 -8.4603 -8.1735 -8.1735 -7.4548 -7.4548 -6.8794 -6.8794 -6.5559 -6.5559 -6.3479 -6.3479 -1.9662 -1.9662 -1.3258 -1.3258 -0.6346 -0.6346 0.1504 0.1504 2.0028 2.0028 2.0554 2.0554 2.7525 2.7525 3.1789 3.1789 3.4486 3.4486 4.1426 4.1426 4.3581 4.3581 4.6215 4.6215 4.8712 4.8712 5.0580 5.0580 5.1073 5.1073 5.2983 5.2983 5.6847 5.6847 5.9133 5.9133 6.2440 6.2440 6.3705 6.3705 6.4241 6.4241 6.7021 6.7021 7.2541 7.2541 7.7488 7.7488 12.6032 12.6032 13.0575 13.0575 13.1084 13.1084 13.4636 13.4636 13.7740 13.7740 14.0973 14.0973 k = 0.4524 0.3712-0.0000 ( 4900 PWs) bands (ev): -10.5770 -10.5770 -10.3652 -10.3652 -8.4807 -8.4807 -8.1435 -8.1435 -7.4777 -7.4777 -6.8583 -6.8583 -6.5554 -6.5554 -6.3531 -6.3531 -1.9846 -1.9846 -1.3048 -1.3048 -0.6558 -0.6558 0.1539 0.1539 2.0219 2.0219 2.0826 2.0826 2.7423 2.7423 3.1685 3.1685 3.4310 3.4310 4.1478 4.1478 4.3578 4.3578 4.6278 4.6278 4.8401 4.8401 5.0706 5.0706 5.1408 5.1408 5.3065 5.3065 5.6694 5.6694 5.9224 5.9224 6.1906 6.1906 6.3710 6.3710 6.4230 6.4230 6.7349 6.7349 7.2565 7.2565 7.7356 7.7356 12.6223 12.6223 13.0568 13.0568 13.1073 13.1073 13.4795 13.4795 13.7665 13.7665 14.0799 14.0799 k = 0.4405 0.3918-0.0000 ( 4896 PWs) bands (ev): -10.5715 -10.5715 -10.3708 -10.3708 -8.5014 -8.5014 -8.1106 -8.1106 -7.5045 -7.5045 -6.8336 -6.8336 -6.5550 -6.5550 -6.3599 -6.3599 -2.0057 -2.0057 -1.2800 -1.2800 -0.6817 -0.6817 0.1580 0.1580 2.0460 2.0460 2.1161 2.1161 2.7296 2.7296 3.1557 3.1557 3.4088 3.4088 4.1543 4.1543 4.3571 4.3571 4.6354 4.6354 4.8094 4.8094 5.0868 5.0868 5.1748 5.1748 5.3169 5.3169 5.6516 5.6516 5.9323 5.9323 6.1310 6.1310 6.3717 6.3717 6.4216 6.4216 6.7676 6.7676 7.2605 7.2605 7.7188 7.7188 12.6458 12.6458 13.0558 13.0558 13.1059 13.1059 13.4992 13.4992 13.7575 13.7575 14.0586 14.0586 k = 0.4286 0.4124-0.0000 ( 4898 PWs) bands (ev): -10.5647 -10.5647 -10.3776 -10.3776 -8.5214 -8.5214 -8.0759 -8.0759 -7.5341 -7.5341 -6.8063 -6.8063 -6.5548 -6.5548 -6.3681 -6.3681 -2.0282 -2.0282 -1.2524 -1.2524 -0.7115 -0.7115 0.1623 0.1623 2.0745 2.0745 2.1550 2.1550 2.7145 2.7145 3.1410 3.1410 3.3823 3.3823 4.1623 4.1623 4.3557 4.3557 4.6440 4.6440 4.7799 4.7799 5.1065 5.1065 5.2086 5.2086 5.3292 5.3292 5.6319 5.6319 5.9422 5.9422 6.0669 6.0669 6.3726 6.3726 6.4198 6.4198 6.7983 6.7983 7.2669 7.2669 7.6987 7.6987 12.6729 12.6729 13.0546 13.0546 13.1042 13.1042 13.5219 13.5219 13.7475 13.7475 14.0340 14.0340 k = 0.4167 0.4330-0.0000 ( 4902 PWs) bands (ev): -10.5568 -10.5568 -10.3857 -10.3857 -8.5399 -8.5399 -8.0402 -8.0402 -7.5658 -7.5658 -6.7773 -6.7773 -6.5550 -6.5550 -6.3777 -6.3777 -2.0509 -2.0509 -1.2227 -1.2227 -0.7443 -0.7443 0.1666 0.1666 2.1065 2.1065 2.1984 2.1984 2.6975 2.6975 3.1249 3.1249 3.3520 3.3520 4.1718 4.1718 4.3533 4.3533 4.6534 4.6534 4.7523 4.7523 5.1295 5.1295 5.2421 5.2421 5.3433 5.3433 5.6108 5.6108 5.9517 5.9517 5.9996 5.9996 6.3738 6.3738 6.4178 6.4178 6.8258 6.8258 7.2765 7.2765 7.6754 7.6754 12.7025 12.7025 13.0535 13.0535 13.1021 13.1021 13.5468 13.5468 13.7371 13.7371 14.0067 14.0067 k = 0.4048 0.4536-0.0000 ( 4910 PWs) bands (ev): -10.5477 -10.5477 -10.3949 -10.3949 -8.5565 -8.5565 -8.0041 -8.0041 -7.5988 -7.5988 -6.7473 -6.7473 -6.5557 -6.5557 -6.3886 -6.3886 -2.0729 -2.0729 -1.1916 -1.1916 -0.7794 -0.7794 0.1707 0.1707 2.1409 2.1409 2.2450 2.2450 2.6787 2.6787 3.1084 3.1084 3.3184 3.3184 4.1826 4.1826 4.3495 4.3495 4.6631 4.6631 4.7272 4.7272 5.1557 5.1557 5.2749 5.2749 5.3587 5.3587 5.5887 5.5887 5.9293 5.9293 5.9613 5.9613 6.3753 6.3753 6.4153 6.4153 6.8492 6.8492 7.2899 7.2899 7.6494 7.6494 12.7332 12.7332 13.0527 13.0527 13.0998 13.0998 13.5729 13.5729 13.7274 13.7274 13.9775 13.9775 k = 0.3929 0.4743-0.0000 ( 4908 PWs) bands (ev): -10.5376 -10.5376 -10.4052 -10.4052 -8.5709 -8.5709 -7.9679 -7.9679 -7.6325 -7.6325 -6.7168 -6.7168 -6.5574 -6.5574 -6.4008 -6.4008 -2.0933 -2.0933 -1.1596 -1.1596 -0.8158 -0.8158 0.1745 0.1745 2.1763 2.1763 2.2938 2.2938 2.6585 2.6585 3.0927 3.0927 3.2821 3.2821 4.1949 4.1949 4.3438 4.3438 4.6728 4.6728 4.7053 4.7053 5.1851 5.1851 5.3067 5.3067 5.3751 5.3751 5.5658 5.5658 5.8589 5.8589 5.9690 5.9690 6.3772 6.3772 6.4125 6.4125 6.8680 6.8680 7.3075 7.3075 7.6209 7.6209 12.7633 12.7633 13.0526 13.0526 13.0970 13.0970 13.5985 13.5985 13.7198 13.7198 13.9469 13.9469 k = 0.3810 0.4949-0.0000 ( 4907 PWs) bands (ev): -10.5263 -10.5263 -10.4166 -10.4166 -8.5829 -8.5829 -7.9322 -7.9322 -7.6664 -7.6664 -6.6864 -6.6864 -6.5601 -6.5601 -6.4138 -6.4138 -2.1112 -2.1112 -1.1271 -1.1271 -0.8530 -0.8530 0.1777 0.1777 2.2104 2.2104 2.3434 2.3434 2.6369 2.6369 3.0797 3.0797 3.2440 3.2440 4.2086 4.2086 4.3357 4.3357 4.6819 4.6819 4.6870 4.6870 5.2173 5.2173 5.3375 5.3375 5.3914 5.3914 5.5424 5.5424 5.7886 5.7886 5.9758 5.9758 6.3794 6.3794 6.4094 6.4094 6.8823 6.8823 7.3294 7.3294 7.5902 7.5902 12.7909 12.7909 13.0540 13.0540 13.0938 13.0938 13.6206 13.6206 13.7175 13.7175 13.9155 13.9155 k = 0.3690 0.5155-0.0000 ( 4895 PWs) bands (ev): -10.5141 -10.5141 -10.4291 -10.4291 -8.5924 -8.5924 -7.8970 -7.8970 -7.7002 -7.7002 -6.6567 -6.6567 -6.5643 -6.5643 -6.4274 -6.4274 -2.1260 -2.1260 -1.0943 -1.0943 -0.8901 -0.8901 0.1804 0.1804 2.2409 2.2409 2.3927 2.3927 2.6138 2.6138 3.0715 3.0715 3.2052 3.2052 4.2236 4.2236 4.3251 4.3251 4.6725 4.6725 4.6902 4.6902 5.2523 5.2523 5.3670 5.3670 5.4055 5.4055 5.5187 5.5187 5.7216 5.7216 5.9813 5.9813 6.3822 6.3822 6.4059 6.4059 6.8924 6.8924 7.3554 7.3554 7.5577 7.5577 12.8139 12.8139 13.0573 13.0573 13.0902 13.0902 13.6352 13.6352 13.7244 13.7244 13.8841 13.8841 k = 0.3571 0.5361-0.0000 ( 4899 PWs) bands (ev): -10.5009 -10.5009 -10.4424 -10.4424 -8.5992 -8.5992 -7.8628 -7.8628 -7.7335 -7.7335 -6.6288 -6.6288 -6.5701 -6.5701 -6.4406 -6.4406 -2.1372 -2.1372 -1.0614 -1.0614 -0.9267 -0.9267 0.1824 0.1824 2.2649 2.2649 2.4404 2.4404 2.5885 2.5885 3.0708 3.0708 3.1669 3.1669 4.2400 4.2400 4.3116 4.3116 4.6624 4.6624 4.6968 4.6968 5.2899 5.2899 5.3951 5.3951 5.4127 5.4127 5.4947 5.4947 5.6631 5.6631 5.9854 5.9854 6.3854 6.3854 6.4021 6.4021 6.8988 6.8988 7.3850 7.3850 7.5237 7.5237 12.8306 12.8306 13.0627 13.0627 13.0861 13.0861 13.6411 13.6411 13.7419 13.7419 13.8532 13.8532 k = 0.3452 0.5567-0.0000 ( 4891 PWs) bands (ev): -10.4867 -10.4867 -10.4567 -10.4567 -8.6033 -8.6033 -7.8297 -7.8297 -7.7661 -7.7661 -6.6047 -6.6047 -6.5777 -6.5777 -6.4515 -6.4515 -2.1442 -2.1442 -1.0285 -1.0285 -0.9620 -0.9620 0.1837 0.1837 2.2800 2.2800 2.4854 2.4854 2.5598 2.5598 3.0801 3.0801 3.1313 3.1313 4.2578 4.2578 4.2954 4.2954 4.6566 4.6566 4.7014 4.7014 5.3298 5.3298 5.4041 5.4041 5.4218 5.4218 5.4706 5.4706 5.6228 5.6228 5.9879 5.9879 6.3892 6.3892 6.3980 6.3980 6.9021 6.9021 7.4177 7.4177 7.4887 7.4887 12.8402 12.8402 13.0693 13.0693 13.0816 13.0816 13.6422 13.6422 13.7664 13.7664 13.8231 13.8231 k = 0.3333 0.5774-0.0000 ( 4881 PWs) bands (ev): -10.4718 -10.4718 -10.4717 -10.4717 -8.6047 -8.6047 -7.7994 -7.7994 -7.7962 -7.7962 -6.5900 -6.5900 -6.5857 -6.5857 -6.4562 -6.4562 -2.1466 -2.1466 -0.9965 -0.9965 -0.9949 -0.9949 0.1841 0.1841 2.2851 2.2851 2.5225 2.5225 2.5291 2.5291 3.1003 3.1003 3.1014 3.1014 4.2768 4.2768 4.2768 4.2768 4.6547 4.6547 4.7031 4.7031 5.3699 5.3699 5.3741 5.3741 5.4466 5.4466 5.4466 5.4466 5.6097 5.6097 5.9887 5.9887 6.3935 6.3935 6.3935 6.3935 6.9031 6.9031 7.4511 7.4511 7.4545 7.4545 12.8432 12.8432 13.0744 13.0744 13.0777 13.0777 13.6421 13.6421 13.7912 13.7912 13.7970 13.7970 k = 0.3333 0.5774-0.0000 ( 4881 PWs) bands (ev): -10.4718 -10.4718 -10.4717 -10.4717 -8.6047 -8.6047 -7.7994 -7.7994 -7.7962 -7.7962 -6.5900 -6.5900 -6.5857 -6.5857 -6.4562 -6.4562 -2.1466 -2.1466 -0.9965 -0.9965 -0.9949 -0.9949 0.1841 0.1841 2.2851 2.2851 2.5225 2.5225 2.5291 2.5291 3.1003 3.1003 3.1014 3.1014 4.2768 4.2768 4.2768 4.2768 4.6547 4.6547 4.7031 4.7031 5.3699 5.3699 5.3741 5.3741 5.4466 5.4466 5.4466 5.4466 5.6097 5.6097 5.9887 5.9887 6.3935 6.3935 6.3935 6.3935 6.9031 6.9031 7.4511 7.4511 7.4545 7.4545 12.8432 12.8432 13.0744 13.0744 13.0777 13.0777 13.6421 13.6421 13.7912 13.7912 13.7970 13.7970 k = 0.3214 0.5567-0.0000 ( 4891 PWs) bands (ev): -10.4875 -10.4875 -10.4559 -10.4559 -8.6034 -8.6034 -7.8284 -7.8284 -7.7674 -7.7674 -6.6005 -6.6005 -6.5832 -6.5832 -6.4502 -6.4502 -2.1441 -2.1441 -1.0273 -1.0273 -0.9631 -0.9631 0.1836 0.1836 2.2803 2.2803 2.4853 2.4853 2.5583 2.5583 3.0793 3.0793 3.1331 3.1331 4.2562 4.2562 4.2971 4.2971 4.6564 4.6564 4.7010 4.7010 5.3215 5.3215 5.4161 5.4161 5.4227 5.4227 5.4696 5.4696 5.6195 5.6195 5.9878 5.9878 6.3888 6.3888 6.3984 6.3984 6.9023 6.9023 7.4165 7.4165 7.4898 7.4898 12.8407 12.8407 13.0695 13.0695 13.0808 13.0808 13.6423 13.6423 13.7664 13.7664 13.8226 13.8226 k = 0.3095 0.5361-0.0000 ( 4895 PWs) bands (ev): -10.5038 -10.5038 -10.4394 -10.4394 -8.5993 -8.5993 -7.8576 -7.8576 -7.7386 -7.7386 -6.6154 -6.6154 -6.5919 -6.5919 -6.4327 -6.4327 -2.1363 -2.1363 -1.0563 -1.0563 -0.9308 -0.9308 0.1822 0.1822 2.2671 2.2671 2.4380 2.4380 2.5788 2.5788 3.0707 3.0707 3.1755 3.1755 4.2340 4.2340 4.3187 4.3187 4.6613 4.6613 4.6942 4.6942 5.2638 5.2638 5.3990 5.3990 5.4619 5.4619 5.4908 5.4908 5.6429 5.6429 5.9852 5.9852 6.3837 6.3837 6.4040 6.4040 6.9002 6.9002 7.3802 7.3802 7.5280 7.5280 12.8341 12.8341 13.0619 13.0619 13.0821 13.0821 13.6428 13.6428 13.7405 13.7405 13.8504 13.8504 k = 0.2976 0.5155-0.0000 ( 4913 PWs) bands (ev): -10.5206 -10.5206 -10.4223 -10.4223 -8.5925 -8.5925 -7.8853 -7.8853 -7.7114 -7.7114 -6.6330 -6.6330 -6.6097 -6.6097 -6.4077 -6.4077 -2.1232 -2.1232 -1.0824 -1.0824 -0.8987 -0.8987 0.1798 0.1798 2.2467 2.2467 2.3840 2.3840 2.5841 2.5841 3.0782 3.0782 3.2257 3.2257 4.2107 4.2107 4.3415 4.3415 4.6689 4.6689 4.6814 4.6814 5.2061 5.2061 5.3756 5.3756 5.5089 5.5089 5.5102 5.5102 5.6740 5.6740 5.9807 5.9807 6.3785 6.3785 6.4101 6.4101 6.8971 6.8971 7.3442 7.3442 7.5672 7.5672 12.8246 12.8246 13.0518 13.0518 13.0808 13.0808 13.6423 13.6423 13.7160 13.7160 13.8768 13.8768 k = 0.2857 0.4949-0.0000 ( 4913 PWs) bands (ev): -10.5378 -10.5378 -10.4046 -10.4046 -8.5830 -8.5830 -7.9114 -7.9114 -7.6859 -7.6859 -6.6535 -6.6535 -6.6331 -6.6331 -6.3786 -6.3786 -2.1045 -2.1045 -1.1053 -1.1053 -0.8669 -0.8669 0.1762 0.1762 2.2200 2.2200 2.3247 2.3247 2.5735 2.5735 3.1025 3.1025 3.2815 3.2815 4.1868 4.1868 4.3655 4.3655 4.6613 4.6613 4.6789 4.6789 5.1528 5.1528 5.3527 5.3527 5.5269 5.5269 5.5580 5.5580 5.7102 5.7102 5.9743 5.9743 6.3731 6.3731 6.4169 6.4169 6.8935 6.8935 7.3086 7.3086 7.6069 7.6069 12.8134 12.8134 13.0384 13.0384 13.0778 13.0778 13.6392 13.6392 13.6925 13.6925 13.9005 13.9005 k = 0.2738 0.4743-0.0000 ( 4913 PWs) bands (ev): -10.5552 -10.5552 -10.3864 -10.3864 -8.5710 -8.5710 -7.9357 -7.9357 -7.6621 -7.6621 -6.6769 -6.6769 -6.6603 -6.6603 -6.3474 -6.3474 -2.0802 -2.0802 -1.1247 -1.1247 -0.8354 -0.8354 0.1714 0.1714 2.1854 2.1854 2.2636 2.2636 2.5493 2.5493 3.1406 3.1406 3.3408 3.3408 4.1626 4.1626 4.3907 4.3907 4.6329 4.6329 4.6909 4.6909 5.1066 5.1066 5.3302 5.3302 5.5418 5.5418 5.6079 5.6079 5.7502 5.7502 5.9660 5.9660 6.3677 6.3677 6.4243 6.4243 6.8894 6.8894 7.2739 7.2739 7.6470 7.6470 12.8013 12.8013 13.0210 13.0210 13.0744 13.0744 13.6322 13.6322 13.6695 13.6695 13.9197 13.9197 k = 0.2619 0.4536-0.0000 ( 4909 PWs) bands (ev): -10.5728 -10.5728 -10.3679 -10.3679 -8.5565 -8.5565 -7.9582 -7.9582 -7.6400 -7.6400 -6.7030 -6.7030 -6.6902 -6.6902 -6.3151 -6.3151 -2.0503 -2.0503 -1.1403 -1.1403 -0.8043 -0.8043 0.1653 0.1653 2.1368 2.1368 2.2085 2.2085 2.5150 2.5150 3.1887 3.1887 3.4018 3.4018 4.1383 4.1383 4.4169 4.4169 4.5962 4.5962 4.7045 4.7045 5.0687 5.0687 5.3082 5.3082 5.5545 5.5545 5.6590 5.6590 5.7932 5.7932 5.9559 5.9559 6.3622 6.3622 6.4323 6.4323 6.8851 6.8851 7.2401 7.2401 7.6871 7.6871 12.7888 12.7888 12.9999 12.9999 13.0714 13.0714 13.6209 13.6209 13.6454 13.6454 13.9308 13.9308 k = 0.2500 0.4330-0.0000 ( 4911 PWs) bands (ev): -10.5905 -10.5905 -10.3491 -10.3491 -8.5396 -8.5396 -7.9786 -7.9786 -7.6196 -7.6196 -6.7320 -6.7320 -6.7223 -6.7223 -6.2823 -6.2823 -2.0148 -2.0148 -1.1521 -1.1521 -0.7735 -0.7735 0.1577 0.1577 2.0703 2.0703 2.1648 2.1648 2.4737 2.4737 3.2434 3.2434 3.4631 3.4631 4.1143 4.1143 4.4442 4.4442 4.5518 4.5518 4.7196 4.7196 5.0392 5.0392 5.2868 5.2868 5.5651 5.5651 5.7111 5.7111 5.8388 5.8388 5.9439 5.9439 6.3567 6.3567 6.4408 6.4408 6.8806 6.8806 7.2075 7.2075 7.7269 7.7269 12.7765 12.7765 12.9757 12.9757 13.0690 13.0690 13.6063 13.6063 13.6185 13.6185 13.9281 13.9281 k = 0.2381 0.4124-0.0000 ( 4911 PWs) bands (ev): -10.6080 -10.6080 -10.3301 -10.3301 -8.5204 -8.5204 -7.9969 -7.9969 -7.6009 -7.6009 -6.7640 -6.7640 -6.7560 -6.7560 -6.2494 -6.2494 -1.9738 -1.9738 -1.1597 -1.1597 -0.7432 -0.7432 0.1486 0.1486 1.9916 1.9916 2.1277 2.1277 2.4276 2.4276 3.3019 3.3019 3.5235 3.5235 4.0906 4.0906 4.4725 4.4725 4.5018 4.5018 4.7359 4.7359 5.0170 5.0170 5.2661 5.2661 5.5735 5.5735 5.7641 5.7641 5.8863 5.8863 5.9300 5.9300 6.3513 6.3513 6.4496 6.4496 6.8761 6.8761 7.1761 7.1761 7.7663 7.7663 12.7648 12.7648 12.9494 12.9494 13.0673 13.0673 13.5868 13.5868 13.5900 13.5900 13.9061 13.9061 k = 0.2262 0.3918-0.0000 ( 4911 PWs) bands (ev): -10.6254 -10.6254 -10.3111 -10.3111 -8.4990 -8.4990 -8.0130 -8.0130 -7.5837 -7.5837 -6.7991 -6.7991 -6.7909 -6.7909 -6.2166 -6.2166 -1.9276 -1.9276 -1.1632 -1.1632 -0.7133 -0.7133 0.1377 0.1377 1.9063 1.9063 2.0931 2.0931 2.3783 2.3783 3.3624 3.3624 3.5821 3.5821 4.0675 4.0675 4.4480 4.4480 4.5019 4.5019 4.7532 4.7532 5.0007 5.0007 5.2460 5.2460 5.5798 5.5798 5.8179 5.8179 5.9137 5.9137 5.9362 5.9362 6.3460 6.3460 6.4589 6.4589 6.8715 6.8715 7.1462 7.1462 7.8050 7.8050 12.7541 12.7541 12.9216 12.9216 13.0663 13.0663 13.5506 13.5506 13.5722 13.5722 13.8655 13.8655 k = 0.2143 0.3712-0.0000 ( 4909 PWs) bands (ev): -10.6425 -10.6425 -10.2921 -10.2921 -8.4755 -8.4755 -8.0268 -8.0268 -7.5681 -7.5681 -6.8368 -6.8368 -6.8269 -6.8269 -6.1843 -6.1843 -1.8762 -1.8762 -1.1623 -1.1623 -0.6840 -0.6840 0.1251 0.1251 1.8163 1.8163 2.0594 2.0594 2.3270 2.3270 3.4233 3.4233 3.6379 3.6379 4.0451 4.0451 4.3927 4.3927 4.5321 4.5321 4.7714 4.7714 4.9890 4.9890 5.2267 5.2267 5.5839 5.5839 5.8720 5.8720 5.8967 5.8967 5.9866 5.9866 6.3409 6.3409 6.4684 6.4684 6.8670 6.8670 7.1178 7.1178 7.8430 7.8430 12.7445 12.7445 12.8930 12.8930 13.0658 13.0658 13.5095 13.5095 13.5539 13.5539 13.8132 13.8132 k = 0.2024 0.3505-0.0000 ( 4897 PWs) bands (ev): -10.6592 -10.6592 -10.2733 -10.2733 -8.4500 -8.4500 -8.0382 -8.0382 -7.5539 -7.5539 -6.8766 -6.8766 -6.8643 -6.8643 -6.1526 -6.1526 -1.8199 -1.8199 -1.1571 -1.1571 -0.6553 -0.6553 0.1105 0.1105 1.7230 1.7230 2.0264 2.0264 2.2744 2.2744 3.4838 3.4838 3.6903 3.6903 4.0236 4.0236 4.3377 4.3377 4.5631 4.5631 4.7904 4.7904 4.9807 4.9807 5.2082 5.2082 5.5862 5.5862 5.8765 5.8765 5.9281 5.9281 6.0380 6.0380 6.3360 6.3360 6.4782 6.4782 6.8626 6.8626 7.0908 7.0908 7.8800 7.8800 12.7363 12.7363 12.8642 12.8642 13.0657 13.0657 13.4643 13.4643 13.5354 13.5354 13.7551 13.7551 k = 0.1905 0.3299-0.0000 ( 4901 PWs) bands (ev): -10.6755 -10.6755 -10.2548 -10.2548 -8.4226 -8.4226 -8.0472 -8.0472 -7.5411 -7.5411 -6.9182 -6.9182 -6.9029 -6.9029 -6.1217 -6.1217 -1.7589 -1.7589 -1.1476 -1.1476 -0.6273 -0.6273 0.0937 0.0937 1.6268 1.6268 1.9940 1.9940 2.2213 2.2213 3.5426 3.5426 3.7386 3.7386 4.0029 4.0029 4.2846 4.2846 4.5948 4.5948 4.8099 4.8099 4.9750 4.9750 5.1906 5.1906 5.5865 5.5865 5.8556 5.8556 5.9836 5.9836 6.0899 6.0899 6.3313 6.3313 6.4879 6.4879 6.8582 6.8582 7.0653 7.0653 7.9158 7.9158 12.7296 12.7296 12.8357 12.8357 13.0655 13.0655 13.4161 13.4161 13.5168 13.5168 13.6947 13.6947 k = 0.1786 0.3093-0.0000 ( 4901 PWs) bands (ev): -10.6911 -10.6911 -10.2368 -10.2368 -8.3935 -8.3935 -8.0537 -8.0537 -7.5295 -7.5295 -6.9611 -6.9611 -6.9428 -6.9428 -6.0919 -6.0919 -1.6936 -1.6936 -1.1337 -1.1337 -0.6002 -0.6002 0.0747 0.0747 1.5285 1.5285 1.9624 1.9624 2.1682 2.1682 3.5991 3.5991 3.7823 3.7823 3.9832 3.9832 4.2349 4.2349 4.6272 4.6272 4.8299 4.8299 4.9713 4.9713 5.1738 5.1738 5.5850 5.5850 5.8330 5.8330 6.0395 6.0395 6.1419 6.1419 6.3269 6.3269 6.4977 6.4977 6.8539 6.8539 7.0413 7.0413 7.9503 7.9503 12.7243 12.7243 12.8080 12.8080 13.0649 13.0649 13.3659 13.3659 13.4979 13.4979 13.6346 13.6346 k = 0.1667 0.2887-0.0000 ( 4907 PWs) bands (ev): -10.7062 -10.7062 -10.2192 -10.2192 -8.3628 -8.3628 -8.0578 -8.0578 -7.5192 -7.5192 -7.0051 -7.0051 -6.9837 -6.9837 -6.0633 -6.0633 -1.6242 -1.6242 -1.1155 -1.1155 -0.5740 -0.5740 0.0532 0.0532 1.4284 1.4284 1.9316 1.9316 2.1157 2.1157 3.6520 3.6520 3.8208 3.8208 3.9646 3.9646 4.1902 4.1902 4.6602 4.6602 4.8502 4.8502 4.9693 4.9693 5.1579 5.1579 5.5820 5.5820 5.8090 5.8090 6.0955 6.0955 6.1934 6.1934 6.3227 6.3227 6.5073 6.5073 6.8498 6.8498 7.0186 7.0186 7.9833 7.9833 12.7202 12.7202 12.7815 12.7815 13.0632 13.0632 13.3147 13.3147 13.4788 13.4788 13.5768 13.5768 k = 0.1548 0.2681-0.0000 ( 4913 PWs) bands (ev): -10.7205 -10.7205 -10.2023 -10.2023 -8.3307 -8.3307 -8.0593 -8.0593 -7.5100 -7.5100 -7.0498 -7.0498 -7.0255 -7.0255 -6.0360 -6.0360 -1.5511 -1.5511 -1.0931 -1.0931 -0.5489 -0.5489 0.0291 0.0291 1.3269 1.3269 1.9018 1.9018 2.0643 2.0643 3.6997 3.6997 3.8540 3.8540 3.9470 3.9470 4.1521 4.1521 4.6936 4.6936 4.8706 4.8706 4.9686 4.9686 5.1430 5.1430 5.5774 5.5774 5.7836 5.7836 6.1512 6.1512 6.2441 6.2441 6.3189 6.3189 6.5167 6.5167 6.8458 6.8458 6.9972 6.9972 8.0147 8.0147 12.7168 12.7168 12.7569 12.7569 13.0594 13.0594 13.2635 13.2635 13.4588 13.4588 13.5237 13.5237 k = 0.1429 0.2474-0.0000 ( 4899 PWs) bands (ev): -10.7340 -10.7340 -10.1862 -10.1862 -8.2973 -8.2973 -8.0583 -8.0583 -7.5018 -7.5018 -7.0950 -7.0950 -7.0680 -7.0680 -6.0102 -6.0102 -1.4746 -1.4746 -1.0667 -1.0667 -0.5251 -0.5251 0.0024 0.0024 1.2246 1.2246 1.8732 1.8732 2.0145 2.0145 3.7399 3.7399 3.8824 3.8824 3.9306 3.9306 4.1228 4.1228 4.7274 4.7274 4.8911 4.8911 4.9690 4.9690 5.1291 5.1291 5.5715 5.5715 5.7572 5.7572 6.2063 6.2063 6.2935 6.2935 6.3155 6.3155 6.5259 6.5259 6.8420 6.8420 6.9770 6.9770 8.0444 8.0444 12.7115 12.7115 12.7371 12.7371 13.0526 13.0526 13.2132 13.2132 13.4362 13.4362 13.4790 13.4790 k = 0.1310 0.2268-0.0000 ( 4907 PWs) bands (ev): -10.7467 -10.7467 -10.1709 -10.1709 -8.2629 -8.2629 -8.0550 -8.0550 -7.4946 -7.4946 -7.1402 -7.1402 -7.1109 -7.1109 -5.9860 -5.9860 -1.3951 -1.3951 -1.0364 -1.0364 -0.5029 -0.5029 -0.0271 -0.0271 1.1218 1.1218 1.8460 1.8460 1.9667 1.9667 3.7686 3.7686 3.9081 3.9081 3.9155 3.9155 4.1037 4.1037 4.7612 4.7612 4.9114 4.9114 4.9703 4.9703 5.1162 5.1162 5.5645 5.5645 5.7297 5.7297 6.2604 6.2604 6.3118 6.3118 6.3417 6.3417 6.5346 6.5346 6.8382 6.8382 6.9578 6.9578 8.0722 8.0722 12.6983 12.6983 12.7279 12.7279 13.0415 13.0415 13.1647 13.1647 13.4089 13.4089 13.4466 13.4466 k = 0.1190 0.2062-0.0000 ( 4901 PWs) bands (ev): -10.7584 -10.7584 -10.1566 -10.1566 -8.2277 -8.2277 -8.0494 -8.0494 -7.4882 -7.4882 -7.1850 -7.1850 -7.1540 -7.1540 -5.9636 -5.9636 -1.3131 -1.3131 -1.0024 -1.0024 -0.4823 -0.4823 -0.0594 -0.0594 1.0192 1.0192 1.8203 1.8203 1.9215 1.9215 3.7828 3.7828 3.9013 3.9013 3.9350 3.9350 4.0947 4.0947 4.7950 4.7950 4.9314 4.9314 4.9723 4.9723 5.1044 5.1044 5.5566 5.5566 5.7016 5.7016 6.3080 6.3080 6.3140 6.3140 6.3875 6.3875 6.5429 6.5429 6.8347 6.8347 6.9395 6.9395 8.0979 8.0979 12.6797 12.6797 12.7266 12.7266 13.0253 13.0253 13.1188 13.1188 13.3806 13.3806 13.4244 13.4244 k = 0.1071 0.1856-0.0000 ( 4905 PWs) bands (ev): -10.7692 -10.7692 -10.1434 -10.1434 -8.1919 -8.1919 -8.0416 -8.0416 -7.4827 -7.4827 -7.2291 -7.2291 -7.1969 -7.1969 -5.9430 -5.9430 -1.2289 -1.2289 -0.9650 -0.9650 -0.4638 -0.4638 -0.0946 -0.0946 0.9172 0.9172 1.7964 1.7964 1.8793 1.8793 3.7829 3.7829 3.8885 3.8885 3.9640 3.9640 4.0937 4.0937 4.8285 4.8285 4.9507 4.9507 4.9747 4.9747 5.0936 5.0936 5.5480 5.5480 5.6730 5.6730 6.3061 6.3061 6.3642 6.3642 6.4308 6.4308 6.5505 6.5505 6.8312 6.8312 6.9220 6.9220 8.1216 8.1216 12.6609 12.6609 12.7277 12.7277 13.0040 13.0040 13.0760 13.0760 13.3575 13.3575 13.4067 13.4067 k = 0.0952 0.1650-0.0000 ( 4909 PWs) bands (ev): -10.7790 -10.7790 -10.1314 -10.1314 -8.1559 -8.1559 -8.0320 -8.0320 -7.4781 -7.4781 -7.2719 -7.2719 -7.2392 -7.2392 -5.9244 -5.9244 -1.1432 -1.1432 -0.9244 -0.9244 -0.4477 -0.4477 -0.1326 -0.1326 0.8166 0.8166 1.7744 1.7744 1.8404 1.8404 3.7737 3.7737 3.8770 3.8770 3.9942 3.9942 4.0975 4.0975 4.8615 4.8615 4.9693 4.9693 4.9775 4.9775 5.0840 5.0840 5.5389 5.5389 5.6444 5.6444 6.3037 6.3037 6.4127 6.4127 6.4715 6.4715 6.5576 6.5576 6.8277 6.8277 6.9051 6.9051 8.1430 8.1430 12.6435 12.6435 12.7293 12.7293 12.9793 12.9793 13.0366 13.0366 13.3415 13.3415 13.3912 13.3912 k = 0.0833 0.1443-0.0000 ( 4897 PWs) bands (ev): -10.7877 -10.7877 -10.1205 -10.1205 -8.1201 -8.1201 -8.0208 -8.0208 -7.4741 -7.4741 -7.3128 -7.3128 -7.2806 -7.2806 -5.9078 -5.9078 -1.0566 -1.0566 -0.8809 -0.8809 -0.4345 -0.4345 -0.1733 -0.1733 0.7184 0.7184 1.7544 1.7544 1.8054 1.8054 3.7597 3.7597 3.8669 3.8669 4.0235 4.0235 4.1037 4.1037 4.8934 4.8934 4.9803 4.9803 4.9870 4.9870 5.0755 5.0755 5.5298 5.5298 5.6160 5.6160 6.3016 6.3016 6.4586 6.4586 6.5090 6.5090 6.5640 6.5640 6.8243 6.8243 6.8888 6.8888 8.1621 8.1621 12.6278 12.6278 12.7306 12.7306 12.9535 12.9535 13.0007 13.0007 13.3319 13.3319 13.3775 13.3775 k = 0.0714 0.1237-0.0000 ( 4883 PWs) bands (ev): -10.7953 -10.7953 -10.1110 -10.1110 -8.0852 -8.0852 -8.0085 -8.0085 -7.4710 -7.4710 -7.3513 -7.3513 -7.3203 -7.3203 -5.8934 -5.8934 -0.9700 -0.9700 -0.8350 -0.8350 -0.4248 -0.4248 -0.2165 -0.2165 0.6239 0.6239 1.7368 1.7368 1.7744 1.7744 3.7443 3.7443 3.8580 3.8580 4.0506 4.0506 4.1104 4.1104 4.9238 4.9238 4.9833 4.9833 5.0032 5.0032 5.0682 5.0682 5.5208 5.5208 5.5886 5.5886 6.2999 6.2999 6.5013 6.5013 6.5429 6.5429 6.5698 6.5698 6.8208 6.8208 6.8730 6.8730 8.1789 8.1789 12.6140 12.6140 12.7308 12.7308 12.9293 12.9293 12.9684 12.9684 13.3270 13.3270 13.3654 13.3654 k = 0.0595 0.1031-0.0000 ( 4887 PWs) bands (ev): -10.8018 -10.8018 -10.1029 -10.1029 -8.0518 -8.0518 -7.9957 -7.9957 -7.4687 -7.4687 -7.3866 -7.3866 -7.3574 -7.3574 -5.8810 -5.8810 -0.8844 -0.8844 -0.7870 -0.7870 -0.4194 -0.4194 -0.2619 -0.2619 0.5347 0.5347 1.7215 1.7215 1.7477 1.7477 3.7295 3.7295 3.8504 3.8504 4.0743 4.0743 4.1167 4.1167 4.9520 4.9520 4.9860 4.9860 5.0178 5.0178 5.0622 5.0622 5.5122 5.5122 5.5625 5.5625 6.2983 6.2983 6.5401 6.5401 6.5709 6.5709 6.5767 6.5767 6.8172 6.8172 6.8576 6.8576 8.1932 8.1932 12.6021 12.6021 12.7294 12.7294 12.9089 12.9089 12.9401 12.9401 13.3254 13.3254 13.3549 13.3549 k = 0.0476 0.0825-0.0000 ( 4891 PWs) bands (ev): -10.8072 -10.8072 -10.0961 -10.0961 -8.0210 -8.0210 -7.9831 -7.9831 -7.4675 -7.4675 -7.4177 -7.4177 -7.3907 -7.3907 -5.8708 -5.8708 -0.8012 -0.8012 -0.7374 -0.7374 -0.4194 -0.4194 -0.3093 -0.3093 0.4533 0.4533 1.7087 1.7087 1.7257 1.7257 3.7164 3.7164 3.8443 3.8443 4.0943 4.0943 4.1221 4.1221 4.9770 4.9770 4.9886 4.9886 5.0304 5.0304 5.0576 5.0576 5.5045 5.5045 5.5388 5.5388 6.2971 6.2971 6.5736 6.5736 6.5791 6.5791 6.5997 6.5997 6.8134 6.8134 6.8429 6.8429 8.2049 8.2049 12.5924 12.5924 12.7263 12.7263 12.8932 12.8932 12.9161 12.9161 13.3256 13.3256 13.3461 13.3461 k = 0.0357 0.0619-0.0000 ( 4891 PWs) bands (ev): -10.8114 -10.8114 -10.0909 -10.0909 -7.9941 -7.9941 -7.9717 -7.9717 -7.4680 -7.4680 -7.4437 -7.4437 -7.4181 -7.4181 -5.8629 -5.8629 -0.7225 -0.7225 -0.6868 -0.6868 -0.4263 -0.4263 -0.3580 -0.3580 0.3829 0.3829 1.6986 1.6986 1.7084 1.7084 3.7057 3.7057 3.8394 3.8394 4.1099 4.1099 4.1267 4.1267 4.9898 4.9898 4.9986 4.9986 5.0408 5.0408 5.0547 5.0547 5.4981 5.4981 5.5185 5.5185 6.2961 6.2961 6.5807 6.5807 6.6049 6.6049 6.6208 6.6208 6.8096 6.8096 6.8293 6.8293 8.2141 8.2141 12.5848 12.5848 12.7222 12.7222 12.8822 12.8822 12.8971 12.8971 13.3266 13.3266 13.3392 13.3392 k = 0.0238 0.0412-0.0000 ( 4889 PWs) bands (ev): -10.8144 -10.8144 -10.0871 -10.0871 -7.9729 -7.9729 -7.9624 -7.9624 -7.4715 -7.4715 -7.4634 -7.4634 -7.4366 -7.4366 -5.8572 -5.8572 -0.6514 -0.6514 -0.6362 -0.6362 -0.4413 -0.4413 -0.4068 -0.4068 0.3275 0.3275 1.6912 1.6912 1.6961 1.6961 3.6979 3.6979 3.8360 3.8360 4.1208 4.1208 4.1304 4.1304 4.9915 4.9915 5.0135 5.0135 5.0484 5.0484 5.0536 5.0536 5.4931 5.4931 5.5027 5.5027 6.2954 6.2954 6.5831 6.5831 6.6282 6.6282 6.6367 6.6367 6.8059 6.8059 6.8180 6.8180 8.2207 8.2207 12.5793 12.5793 12.7181 12.7181 12.8750 12.8750 12.8836 12.8836 13.3276 13.3276 13.3344 13.3344 k = 0.0119 0.0206-0.0000 ( 4887 PWs) bands (ev): -10.8162 -10.8162 -10.0848 -10.0848 -7.9593 -7.9593 -7.9563 -7.9563 -7.4774 -7.4774 -7.4756 -7.4756 -7.4451 -7.4451 -5.8538 -5.8538 -0.5942 -0.5942 -0.5879 -0.5879 -0.4639 -0.4639 -0.4523 -0.4523 0.2917 0.2917 1.6863 1.6863 1.6891 1.6891 3.6931 3.6931 3.8339 3.8339 4.1266 4.1266 4.1334 4.1334 4.9925 4.9925 5.0220 5.0220 5.0531 5.0531 5.0541 5.0541 5.4901 5.4901 5.4925 5.4925 6.2949 6.2949 6.5845 6.5845 6.6434 6.6434 6.6471 6.6471 6.8022 6.8022 6.8109 6.8109 8.2246 8.2246 12.5760 12.5760 12.7151 12.7151 12.8705 12.8705 12.8761 12.8761 13.3279 13.3279 13.3321 13.3321 k = 0.0000 0.0000 0.0000 ( 4871 PWs) bands (ev): -10.8168 -10.8168 -10.0840 -10.0840 -7.9550 -7.9550 -7.9536 -7.9536 -7.4806 -7.4806 -7.4794 -7.4794 -7.4472 -7.4472 -5.8527 -5.8527 -0.5671 -0.5671 -0.5610 -0.5610 -0.4813 -0.4813 -0.4758 -0.4758 0.2793 0.2793 1.6845 1.6845 1.6871 1.6871 3.6915 3.6915 3.8332 3.8332 4.1282 4.1282 4.1348 4.1348 4.9928 4.9928 5.0246 5.0246 5.0547 5.0547 5.0547 5.0547 5.4889 5.4889 5.4891 5.4891 6.2948 6.2948 6.5850 6.5850 6.6483 6.6483 6.6511 6.6511 6.8004 6.8004 6.8089 6.8089 8.2260 8.2260 12.5749 12.5749 12.7140 12.7140 12.8686 12.8686 12.8740 12.8740 13.3277 13.3277 13.3316 13.3316 k = 0.0000 0.0000 0.0000 ( 4871 PWs) bands (ev): -10.8168 -10.8168 -10.0840 -10.0840 -7.9550 -7.9550 -7.9536 -7.9536 -7.4806 -7.4806 -7.4794 -7.4794 -7.4472 -7.4472 -5.8527 -5.8527 -0.5671 -0.5671 -0.5610 -0.5610 -0.4813 -0.4813 -0.4758 -0.4758 0.2793 0.2793 1.6845 1.6845 1.6871 1.6871 3.6915 3.6915 3.8332 3.8332 4.1282 4.1282 4.1348 4.1348 4.9928 4.9928 5.0246 5.0246 5.0547 5.0547 5.0547 5.0547 5.4889 5.4889 5.4891 5.4891 6.2948 6.2948 6.5850 6.5850 6.6483 6.6483 6.6511 6.6511 6.8004 6.8004 6.8089 6.8089 8.2260 8.2260 12.5749 12.5749 12.7140 12.7140 12.8686 12.8686 12.8740 12.8740 13.3277 13.3277 13.3316 13.3316 k = 0.0000 0.0000 0.0242 ( 4889 PWs) bands (ev): -10.8160 -10.8160 -10.0834 -10.0834 -7.9540 -7.9540 -7.9527 -7.9527 -7.4798 -7.4798 -7.4786 -7.4786 -7.4467 -7.4467 -5.8524 -5.8524 -0.5668 -0.5668 -0.5607 -0.5607 -0.4812 -0.4812 -0.4757 -0.4757 0.2799 0.2799 1.6851 1.6851 1.6877 1.6877 3.6906 3.6906 3.8286 3.8286 4.1264 4.1264 4.1330 4.1330 4.9648 4.9648 5.0493 5.0493 5.0494 5.0494 5.0506 5.0506 5.4861 5.4861 5.4862 5.4862 6.2909 6.2909 6.5802 6.5802 6.6493 6.6493 6.6521 6.6521 6.8004 6.8004 6.8089 6.8089 8.2269 8.2269 12.5820 12.5820 12.7178 12.7178 12.8719 12.8719 12.8773 12.8773 13.3329 13.3329 13.3369 13.3369 k = 0.0000 0.0000 0.0484 ( 4889 PWs) bands (ev): -10.8135 -10.8135 -10.0817 -10.0817 -7.9513 -7.9513 -7.9500 -7.9500 -7.4772 -7.4772 -7.4761 -7.4761 -7.4451 -7.4451 -5.8517 -5.8517 -0.5657 -0.5657 -0.5597 -0.5597 -0.4807 -0.4807 -0.4752 -0.4752 0.2816 0.2816 1.6871 1.6871 1.6897 1.6897 3.6881 3.6881 3.8147 3.8147 4.1210 4.1210 4.1276 4.1276 4.9238 4.9238 5.0335 5.0335 5.0335 5.0335 5.0857 5.0857 5.4776 5.4776 5.4777 5.4777 6.2794 6.2794 6.5660 6.5660 6.6523 6.6523 6.6552 6.6552 6.8006 6.8006 6.8092 6.8092 8.2296 8.2296 12.6030 12.6030 12.7291 12.7291 12.8818 12.8818 12.8872 12.8872 13.3486 13.3486 13.3526 13.3526 k = 0.0000 0.0000 0.0726 ( 4877 PWs) bands (ev): -10.8094 -10.8094 -10.0788 -10.0788 -7.9467 -7.9467 -7.9454 -7.9454 -7.4730 -7.4730 -7.4718 -7.4718 -7.4424 -7.4424 -5.8505 -5.8505 -0.5640 -0.5640 -0.5580 -0.5580 -0.4799 -0.4799 -0.4745 -0.4745 0.2844 0.2844 1.6905 1.6905 1.6931 1.6931 3.6836 3.6836 3.7918 3.7918 4.1120 4.1120 4.1185 4.1185 4.8809 4.8809 5.0074 5.0074 5.0074 5.0074 5.1192 5.1192 5.4637 5.4637 5.4638 5.4638 6.2604 6.2604 6.5426 6.5426 6.6572 6.6572 6.6601 6.6601 6.8011 6.8011 6.8096 6.8096 8.2340 8.2340 12.6379 12.6379 12.7479 12.7479 12.8979 12.8979 12.9033 12.9033 13.3746 13.3746 13.3786 13.3786 k = 0.0000 0.0000 0.0968 ( 4877 PWs) bands (ev): -10.8037 -10.8037 -10.0747 -10.0747 -7.9403 -7.9403 -7.9390 -7.9390 -7.4671 -7.4671 -7.4659 -7.4659 -7.4386 -7.4386 -5.8489 -5.8489 -0.5617 -0.5617 -0.5557 -0.5557 -0.4789 -0.4789 -0.4735 -0.4735 0.2883 0.2883 1.6952 1.6952 1.6977 1.6977 3.6770 3.6770 3.7599 3.7599 4.0992 4.0992 4.1055 4.1055 4.8372 4.8372 4.9715 4.9715 4.9716 4.9716 5.1500 5.1500 5.4447 5.4447 5.4449 5.4449 6.2342 6.2342 6.5101 6.5101 6.6637 6.6637 6.6667 6.6667 6.8017 6.8017 6.8102 6.8102 8.2400 8.2400 12.6863 12.6863 12.7737 12.7737 12.9200 12.9200 12.9255 12.9255 13.4106 13.4106 13.4147 13.4147 k = 0.0000 0.0000 0.1210 ( 4883 PWs) bands (ev): -10.7963 -10.7963 -10.0695 -10.0695 -7.9320 -7.9320 -7.9307 -7.9307 -7.4595 -7.4595 -7.4583 -7.4583 -7.4338 -7.4338 -5.8468 -5.8468 -0.5587 -0.5587 -0.5527 -0.5527 -0.4777 -0.4777 -0.4722 -0.4722 0.2933 0.2933 1.7012 1.7012 1.7037 1.7037 3.6677 3.6677 3.7197 3.7197 4.0825 4.0825 4.0886 4.0886 4.7937 4.7937 4.9265 4.9265 4.9266 4.9266 5.1779 5.1779 5.4210 5.4210 5.4214 5.4214 6.2009 6.2009 6.4692 6.4692 6.6715 6.6715 6.6745 6.6745 6.8024 6.8024 6.8109 6.8109 8.2473 8.2473 12.7476 12.7476 12.8064 12.8064 12.9476 12.9476 12.9531 12.9531 13.4561 13.4561 13.4602 13.4602 k = 0.0000 0.0000 0.1452 ( 4883 PWs) bands (ev): -10.7874 -10.7874 -10.0631 -10.0631 -7.9220 -7.9220 -7.9207 -7.9207 -7.4502 -7.4502 -7.4490 -7.4490 -7.4279 -7.4279 -5.8444 -5.8444 -0.5551 -0.5551 -0.5491 -0.5491 -0.4762 -0.4762 -0.4708 -0.4708 0.2994 0.2994 1.7085 1.7085 1.7110 1.7110 3.6552 3.6552 3.6714 3.6714 4.0616 4.0616 4.0674 4.0674 4.7511 4.7511 4.8731 4.8731 4.8732 4.8732 5.2024 5.2024 5.3935 5.3935 5.3941 5.3941 6.1613 6.1613 6.4204 6.4204 6.6803 6.6803 6.6833 6.6833 6.8033 6.8033 6.8118 6.8118 8.2557 8.2557 12.8215 12.8215 12.8455 12.8455 12.9799 12.9799 12.9856 12.9856 13.5107 13.5107 13.5149 13.5149 k = 0.0000 0.0000 0.1694 ( 4889 PWs) bands (ev): -10.7768 -10.7768 -10.0557 -10.0557 -7.9101 -7.9101 -7.9088 -7.9088 -7.4393 -7.4393 -7.4381 -7.4381 -7.4210 -7.4210 -5.8415 -5.8415 -0.5510 -0.5510 -0.5450 -0.5450 -0.4746 -0.4746 -0.4692 -0.4692 0.3065 0.3065 1.7171 1.7171 1.7196 1.7196 3.6156 3.6156 3.6390 3.6390 4.0362 4.0362 4.0418 4.0418 4.7104 4.7104 4.8120 4.8120 4.8122 4.8122 5.2233 5.2233 5.3626 5.3626 5.3635 5.3635 6.1158 6.1158 6.3642 6.3642 6.6898 6.6898 6.6928 6.6928 6.8043 6.8043 6.8127 6.8127 8.2649 8.2649 12.8904 12.8904 12.9072 12.9072 13.0164 13.0164 13.0222 13.0222 13.5737 13.5737 13.5779 13.5779 k = 0.0000 0.0000 0.1936 ( 4889 PWs) bands (ev): -10.7646 -10.7646 -10.0471 -10.0471 -7.8965 -7.8965 -7.8952 -7.8952 -7.4267 -7.4267 -7.4256 -7.4256 -7.4130 -7.4130 -5.8383 -5.8383 -0.5463 -0.5463 -0.5404 -0.5404 -0.4729 -0.4729 -0.4675 -0.4675 0.3147 0.3147 1.7270 1.7270 1.7295 1.7295 3.5530 3.5530 3.6182 3.6182 4.0062 4.0062 4.0114 4.0114 4.6725 4.6725 4.7442 4.7442 4.7444 4.7444 5.2401 5.2401 5.3294 5.3294 5.3304 5.3304 6.0648 6.0648 6.3019 6.3019 6.6996 6.6996 6.7027 6.7027 6.8055 6.8055 6.8138 6.8138 8.2747 8.2747 12.9408 12.9408 13.0040 13.0040 13.0562 13.0562 13.0622 13.0622 13.6443 13.6443 13.6487 13.6487 k = 0.0000 0.0000 0.2178 ( 4889 PWs) bands (ev): -10.7509 -10.7509 -10.0374 -10.0374 -7.8811 -7.8811 -7.8798 -7.8798 -7.4125 -7.4125 -7.4114 -7.4114 -7.4040 -7.4040 -5.8347 -5.8347 -0.5412 -0.5412 -0.5353 -0.5353 -0.4712 -0.4712 -0.4659 -0.4659 0.3239 0.3239 1.7382 1.7382 1.7407 1.7407 3.4840 3.4840 3.5924 3.5924 3.9712 3.9712 3.9760 3.9760 4.6383 4.6383 4.6703 4.6703 4.6705 4.6705 5.2521 5.2521 5.2949 5.2949 5.2956 5.2956 6.0088 6.0088 6.2342 6.2342 6.7096 6.7096 6.7128 6.7128 6.8067 6.8067 6.8150 6.8150 8.2848 8.2848 12.9961 12.9961 13.0984 13.0984 13.1044 13.1044 13.1111 13.1111 13.7219 13.7219 13.7263 13.7263 k = 0.0000 0.0000 0.2420 ( 4889 PWs) bands (ev): -10.7356 -10.7356 -10.0267 -10.0267 -7.8639 -7.8639 -7.8626 -7.8626 -7.3968 -7.3968 -7.3956 -7.3956 -7.3941 -7.3941 -5.8309 -5.8309 -0.5356 -0.5356 -0.5298 -0.5298 -0.4696 -0.4696 -0.4643 -0.4643 0.3340 0.3340 1.7507 1.7507 1.7531 1.7531 3.4093 3.4093 3.5607 3.5607 3.9311 3.9311 3.9355 3.9355 4.5912 4.5912 4.5915 4.5915 4.6088 4.6088 5.2514 5.2514 5.2598 5.2598 5.2671 5.2671 5.9483 5.9483 6.1624 6.1624 6.7196 6.7196 6.7228 6.7228 6.8081 6.8081 6.8163 6.8163 8.2949 8.2949 13.0559 13.0559 13.1418 13.1418 13.1481 13.1481 13.2277 13.2277 13.8054 13.8054 13.8099 13.8099 k = 0.0000 0.0000 0.2662 ( 4889 PWs) bands (ev): -10.7188 -10.7188 -10.0150 -10.0150 -7.8450 -7.8450 -7.8437 -7.8437 -7.3831 -7.3831 -7.3794 -7.3794 -7.3783 -7.3783 -5.8268 -5.8268 -0.5298 -0.5298 -0.5240 -0.5240 -0.4681 -0.4681 -0.4629 -0.4629 0.3450 0.3450 1.7644 1.7644 1.7668 1.7668 3.3297 3.3297 3.5228 3.5228 3.8857 3.8857 3.8897 3.8897 4.5077 4.5077 4.5081 4.5081 4.5845 4.5845 5.2194 5.2194 5.2236 5.2236 5.2646 5.2646 5.8840 5.8840 6.0878 6.0878 6.7292 6.7292 6.7325 6.7325 6.8097 6.8097 6.8178 6.8178 8.3048 8.3048 13.1194 13.1194 13.1856 13.1856 13.1921 13.1921 13.3529 13.3529 13.8939 13.8939 13.8985 13.8985 k = 0.0000 0.0000 0.2904 ( 4889 PWs) bands (ev): -10.7005 -10.7005 -10.0022 -10.0022 -7.8243 -7.8243 -7.8230 -7.8230 -7.3711 -7.3711 -7.3605 -7.3605 -7.3594 -7.3594 -5.8226 -5.8226 -0.5237 -0.5237 -0.5180 -0.5180 -0.4670 -0.4670 -0.4618 -0.4618 0.3569 0.3569 1.7793 1.7793 1.7817 1.7817 3.2456 3.2456 3.4784 3.4784 3.8351 3.8351 3.8386 3.8386 4.4206 4.4206 4.4209 4.4209 4.5661 4.5661 5.1835 5.1835 5.1877 5.1877 5.2594 5.2594 5.8163 5.8163 6.0122 6.0122 6.7385 6.7385 6.7418 6.7418 6.8114 6.8114 6.8193 6.8193 8.3143 8.3143 13.1864 13.1864 13.2286 13.2286 13.2352 13.2352 13.4858 13.4858 13.9862 13.9862 13.9909 13.9909 k = 0.0000 0.0000 0.3146 ( 4913 PWs) bands (ev): -10.6808 -10.6808 -9.9885 -9.9885 -7.8020 -7.8020 -7.8007 -7.8007 -7.3582 -7.3582 -7.3401 -7.3401 -7.3391 -7.3391 -5.8182 -5.8182 -0.5174 -0.5174 -0.5118 -0.5118 -0.4662 -0.4662 -0.4611 -0.4611 0.3695 0.3695 1.7954 1.7954 1.7977 1.7977 3.1578 3.1578 3.4274 3.4274 3.7791 3.7791 3.7822 3.7822 4.3304 4.3304 4.3308 4.3308 4.5537 4.5537 5.1479 5.1479 5.1525 5.1525 5.2462 5.2462 5.7456 5.7456 5.9376 5.9376 6.7473 6.7473 6.7507 6.7507 6.8132 6.8132 6.8210 6.8210 8.3230 8.3230 13.2560 13.2560 13.2697 13.2697 13.2763 13.2763 13.6255 13.6255 14.0812 14.0812 14.0859 14.0859 k = 0.0000 0.0000 0.3388 ( 4901 PWs) bands (ev): -10.6595 -10.6595 -9.9738 -9.9738 -7.7780 -7.7780 -7.7767 -7.7767 -7.3444 -7.3444 -7.3183 -7.3183 -7.3172 -7.3172 -5.8138 -5.8138 -0.5111 -0.5111 -0.5055 -0.5055 -0.4659 -0.4659 -0.4609 -0.4609 0.3830 0.3830 1.8126 1.8126 1.8150 1.8150 3.0669 3.0669 3.3703 3.3703 3.7182 3.7182 3.7208 3.7208 4.2381 4.2381 4.2386 4.2386 4.5474 4.5474 5.1134 5.1134 5.1183 5.1183 5.2230 5.2230 5.6726 5.6726 5.8665 5.8665 6.7556 6.7556 6.7590 6.7590 6.8152 6.8152 6.8229 6.8229 8.3310 8.3310 13.3066 13.3066 13.3141 13.3141 13.3293 13.3293 13.7709 13.7709 14.1774 14.1774 14.1821 14.1821 k = 0.0000 0.0000 0.3630 ( 4889 PWs) bands (ev): -10.6369 -10.6369 -9.9582 -9.9582 -7.7523 -7.7523 -7.7511 -7.7511 -7.3297 -7.3297 -7.2950 -7.2950 -7.2939 -7.2939 -5.8094 -5.8094 -0.5048 -0.5048 -0.4994 -0.4994 -0.4663 -0.4663 -0.4613 -0.4613 0.3971 0.3971 1.8310 1.8310 1.8333 1.8333 2.9737 2.9737 3.3074 3.3074 3.6524 3.6524 3.6546 3.6546 4.1442 4.1442 4.1448 4.1448 4.5468 4.5468 5.0801 5.0801 5.0855 5.0855 5.1879 5.1879 5.5976 5.5976 5.8016 5.8016 6.7633 6.7633 6.7668 6.7668 6.8174 6.8174 6.8250 6.8250 8.3379 8.3379 13.3397 13.3397 13.3474 13.3474 13.4037 13.4037 13.9211 13.9211 14.2730 14.2730 14.2778 14.2778 k = 0.0000 0.0000 0.3872 ( 4889 PWs) bands (ev): -10.6129 -10.6129 -9.9418 -9.9418 -7.7251 -7.7251 -7.7239 -7.7239 -7.3141 -7.3141 -7.2703 -7.2703 -7.2692 -7.2692 -5.8050 -5.8050 -0.4987 -0.4987 -0.4934 -0.4934 -0.4675 -0.4675 -0.4626 -0.4626 0.4118 0.4118 1.8505 1.8505 1.8527 1.8527 2.8785 2.8785 3.2393 3.2393 3.5823 3.5823 3.5841 3.5841 4.0494 4.0494 4.0500 4.0500 4.5516 4.5516 5.0481 5.0481 5.0540 5.0540 5.1391 5.1391 5.5210 5.5210 5.7449 5.7449 6.7704 6.7704 6.7739 6.7739 6.8197 6.8197 6.8272 6.8272 8.3436 8.3436 13.3669 13.3669 13.3748 13.3748 13.4800 13.4800 14.0747 14.0747 14.3662 14.3662 14.3708 14.3708 k = 0.0000 0.0000 0.4114 ( 4889 PWs) bands (ev): -10.5875 -10.5875 -9.9246 -9.9246 -7.6963 -7.6963 -7.6951 -7.6951 -7.2976 -7.2976 -7.2442 -7.2442 -7.2432 -7.2432 -5.8008 -5.8008 -0.4930 -0.4930 -0.4877 -0.4877 -0.4696 -0.4696 -0.4648 -0.4648 0.4271 0.4271 1.8711 1.8711 1.8732 1.8732 2.7821 2.7821 3.1666 3.1666 3.5084 3.5084 3.5097 3.5097 3.9543 3.9543 3.9549 3.9549 4.5614 4.5614 5.0172 5.0172 5.0238 5.0238 5.0764 5.0764 5.4432 5.4432 5.6974 5.6974 6.7768 6.7768 6.7804 6.7804 6.8223 6.8223 6.8296 6.8296 8.3479 8.3479 13.3871 13.3871 13.3951 13.3951 13.5577 13.5577 14.2304 14.2304 14.4542 14.4542 14.4586 14.4586 k = 0.0000 0.0000 0.4356 ( 4889 PWs) bands (ev): -10.5609 -10.5609 -9.9066 -9.9066 -7.6660 -7.6660 -7.6648 -7.6648 -7.2803 -7.2803 -7.2169 -7.2169 -7.2159 -7.2159 -5.7969 -5.7969 -0.4877 -0.4877 -0.4825 -0.4825 -0.4728 -0.4728 -0.4681 -0.4681 0.4428 0.4428 1.8926 1.8926 1.8947 1.8947 2.6849 2.6849 3.0900 3.0900 3.4312 3.4312 3.4322 3.4322 3.8594 3.8594 3.8601 3.8601 4.5756 4.5756 4.9855 4.9855 4.9948 4.9948 5.0026 5.0026 5.3648 5.3648 5.6589 5.6589 6.7827 6.7827 6.7862 6.7862 6.8251 6.8251 6.8323 6.8323 8.3508 8.3508 13.3991 13.3991 13.4073 13.4073 13.6366 13.6366 14.3867 14.3867 14.5339 14.5339 14.5380 14.5380 k = 0.0000 0.0000 0.4598 ( 4914 PWs) bands (ev): -10.5330 -10.5330 -9.8879 -9.8879 -7.6342 -7.6342 -7.6329 -7.6329 -7.2622 -7.2622 -7.1883 -7.1883 -7.1873 -7.1873 -5.7932 -5.7932 -0.4832 -0.4832 -0.4779 -0.4779 -0.4774 -0.4774 -0.4726 -0.4726 0.4589 0.4589 1.9151 1.9151 1.9171 1.9171 2.5875 2.5875 3.0101 3.0101 3.3513 3.3513 3.3519 3.3519 3.7654 3.7654 3.7662 3.7662 4.5938 4.5938 4.9109 4.9109 4.9612 4.9612 4.9669 4.9669 5.2860 5.2860 5.6280 5.6280 6.7878 6.7878 6.7914 6.7914 6.8280 6.8280 6.8351 6.8351 8.3519 8.3519 13.4021 13.4021 13.4104 13.4104 13.7163 13.7163 14.5415 14.5415 14.6014 14.6014 14.6048 14.6048 k = 0.0000 0.0000 0.4840 ( 4914 PWs) bands (ev): -10.5040 -10.5040 -9.8685 -9.8685 -7.6009 -7.6009 -7.5997 -7.5997 -7.2434 -7.2434 -7.1586 -7.1586 -7.1576 -7.1576 -5.7899 -5.7899 -0.4833 -0.4833 -0.4806 -0.4806 -0.4773 -0.4773 -0.4741 -0.4741 0.4753 0.4753 1.9384 1.9384 1.9404 1.9404 2.4904 2.4904 2.9277 2.9277 3.2695 3.2695 3.2697 3.2697 3.6728 3.6728 3.6737 3.6737 4.6154 4.6154 4.8147 4.8147 4.9333 4.9333 4.9398 4.9398 5.2073 5.2073 5.6030 5.6030 6.7924 6.7924 6.7961 6.7961 6.8313 6.8313 6.8382 6.8382 8.3513 8.3513 13.3955 13.3955 13.4038 13.4038 13.7966 13.7966 14.6515 14.6515 14.6544 14.6544 14.6929 14.6929 k = 0.0000 0.0000 0.5082 ( 4902 PWs) bands (ev): -10.4737 -10.4737 -9.8485 -9.8485 -7.5662 -7.5662 -7.5651 -7.5651 -7.2237 -7.2237 -7.1277 -7.1277 -7.1267 -7.1267 -5.7871 -5.7871 -0.4909 -0.4909 -0.4868 -0.4868 -0.4758 -0.4758 -0.4713 -0.4713 0.4919 0.4919 1.9627 1.9627 1.9646 1.9646 2.3942 2.3942 2.8433 2.8433 3.1863 3.1863 3.1863 3.1863 3.5822 3.5822 3.5831 3.5831 4.6397 4.6397 4.7114 4.7114 4.9064 4.9064 4.9134 4.9134 5.1289 5.1289 5.5822 5.5822 6.7965 6.7965 6.8002 6.8002 6.8349 6.8349 6.8416 6.8416 8.3488 8.3488 13.3792 13.3792 13.3875 13.3875 13.8773 13.8773 14.6803 14.6803 14.6822 14.6822 14.8366 14.8366 k = 0.0000 0.0000 0.5324 ( 4908 PWs) bands (ev): -10.4424 -10.4424 -9.8280 -9.8280 -7.5303 -7.5303 -7.5291 -7.5291 -7.2034 -7.2034 -7.0958 -7.0958 -7.0948 -7.0948 -5.7849 -5.7849 -0.5002 -0.5002 -0.4961 -0.4961 -0.4741 -0.4741 -0.4697 -0.4697 0.5085 0.5085 1.9876 1.9876 1.9895 1.9895 2.2991 2.2991 2.7574 2.7574 3.1021 3.1021 3.1025 3.1025 3.4940 3.4940 3.4950 3.4950 4.6014 4.6014 4.6680 4.6680 4.8800 4.8800 4.8873 4.8873 5.0515 5.0515 5.5646 5.5646 6.8000 6.8000 6.8037 6.8037 6.8387 6.8387 6.8452 6.8452 8.3443 8.3443 13.3533 13.3533 13.3615 13.3615 13.9582 13.9582 14.6837 14.6837 14.6846 14.6846 14.9691 14.9691 k = 0.0000 0.0000 0.5566 ( 4908 PWs) bands (ev): -10.4101 -10.4101 -9.8070 -9.8070 -7.4930 -7.4930 -7.4918 -7.4918 -7.1824 -7.1824 -7.0629 -7.0629 -7.0619 -7.0619 -5.7833 -5.7833 -0.5114 -0.5114 -0.5075 -0.5075 -0.4737 -0.4737 -0.4694 -0.4694 0.5251 0.5251 2.0132 2.0132 2.0150 2.0150 2.2056 2.2056 2.6704 2.6704 3.0180 3.0180 3.0187 3.0187 3.4087 3.4087 3.4098 3.4098 4.4889 4.4889 4.6967 4.6967 4.8538 4.8538 4.8613 4.8613 4.9751 4.9751 5.5492 5.5492 6.8030 6.8030 6.8067 6.8067 6.8428 6.8428 6.8491 6.8491 8.3376 8.3376 13.3186 13.3186 13.3266 13.3266 14.0391 14.0391 14.6615 14.6615 14.6616 14.6616 15.0854 15.0854 k = 0.0000 0.0000 0.5808 ( 4932 PWs) bands (ev): -10.3768 -10.3768 -9.7856 -9.7856 -7.4545 -7.4545 -7.4533 -7.4533 -7.1608 -7.1608 -7.0291 -7.0291 -7.0282 -7.0282 -5.7825 -5.7825 -0.5248 -0.5248 -0.5209 -0.5209 -0.4749 -0.4749 -0.4707 -0.4707 0.5416 0.5416 2.0393 2.0393 2.0410 2.0410 2.1142 2.1142 2.5829 2.5829 2.9346 2.9346 2.9355 2.9355 3.3269 3.3269 3.3281 3.3281 4.3732 4.3732 4.7271 4.7271 4.8275 4.8275 4.8352 4.8352 4.9001 4.9001 5.5356 5.5356 6.8055 6.8055 6.8092 6.8092 6.8471 6.8471 6.8532 6.8532 8.3287 8.3287 13.2760 13.2760 13.2838 13.2838 14.1199 14.1199 14.6160 14.6160 14.6164 14.6164 15.1817 15.1956 k = 0.0000 0.0000 0.6050 ( 4932 PWs) bands (ev): -10.3427 -10.3427 -9.7639 -9.7639 -7.4149 -7.4149 -7.4137 -7.4137 -7.1385 -7.1385 -6.9946 -6.9946 -6.9936 -6.9936 -5.7826 -5.7826 -0.5402 -0.5402 -0.5365 -0.5365 -0.4779 -0.4779 -0.4739 -0.4739 0.5579 0.5579 2.0252 2.0252 2.0657 2.0657 2.0673 2.0673 2.4952 2.4952 2.8525 2.8525 2.8536 2.8536 3.2491 3.2491 3.2503 3.2503 4.2555 4.2555 4.7584 4.7584 4.8009 4.8009 4.8088 4.8088 4.8271 4.8271 5.5238 5.5238 6.8076 6.8076 6.8114 6.8114 6.8517 6.8517 6.8576 6.8576 8.3175 8.3175 13.2265 13.2265 13.2341 13.2341 14.2002 14.2002 14.5526 14.5526 14.5533 14.5533 15.2051 15.2053 k = 0.0000 0.0000 0.6292 ( 4938 PWs) bands (ev): -10.3077 -10.3077 -9.7419 -9.7419 -7.3741 -7.3741 -7.3730 -7.3730 -7.1157 -7.1157 -6.9593 -6.9593 -6.9584 -6.9584 -5.7836 -5.7836 -0.5580 -0.5580 -0.5544 -0.5544 -0.4829 -0.4829 -0.4790 -0.4790 0.5738 0.5738 1.9390 1.9390 2.0923 2.0923 2.0938 2.0938 2.4076 2.4076 2.7722 2.7722 2.7736 2.7736 3.1756 3.1756 3.1769 3.1769 4.1365 4.1365 4.7562 4.7562 4.7738 4.7738 4.7818 4.7818 4.7900 4.7900 5.5139 5.5139 6.8094 6.8094 6.8131 6.8131 6.8565 6.8565 6.8622 6.8622 8.3038 8.3038 13.1715 13.1715 13.1788 13.1788 14.2800 14.2800 14.4762 14.4762 14.4771 14.4771 15.2202 15.2203 k = 0.0000 0.0000 0.6534 ( 4938 PWs) bands (ev): -10.2720 -10.2720 -9.7198 -9.7198 -7.3324 -7.3324 -7.3313 -7.3313 -7.0922 -7.0922 -6.9234 -6.9234 -6.9226 -6.9226 -5.7856 -5.7856 -0.5781 -0.5781 -0.5747 -0.5747 -0.4901 -0.4901 -0.4864 -0.4864 0.5892 0.5892 1.8560 1.8560 2.1188 2.1188 2.1202 2.1202 2.3206 2.3206 2.6944 2.6944 2.6960 2.6960 3.1071 3.1071 3.1085 3.1085 4.0166 4.0166 4.6877 4.6877 4.7460 4.7460 4.7541 4.7541 4.8208 4.8208 5.5062 5.5062 6.8108 6.8108 6.8145 6.8145 6.8616 6.8616 6.8670 6.8670 8.2876 8.2876 13.1123 13.1123 13.1193 13.1193 14.3591 14.3591 14.3909 14.3909 14.3918 14.3918 15.2396 15.2398 k = 0.0000 0.0000 0.6776 ( 4926 PWs) bands (ev): -10.2356 -10.2356 -9.6975 -9.6975 -7.2898 -7.2898 -7.2887 -7.2887 -7.0683 -7.0683 -6.8871 -6.8871 -6.8863 -6.8863 -5.7887 -5.7887 -0.6006 -0.6006 -0.5973 -0.5973 -0.4997 -0.4997 -0.4962 -0.4962 0.6041 0.6041 1.7764 1.7764 2.1449 2.1449 2.1463 2.1463 2.2345 2.2345 2.6195 2.6195 2.6213 2.6213 3.0439 3.0439 3.0455 3.0455 3.8963 3.8963 4.6219 4.6219 4.7173 4.7173 4.7256 4.7256 4.8500 4.8500 5.5016 5.5016 6.8119 6.8119 6.8156 6.8156 6.8668 6.8668 6.8721 6.8721 8.2689 8.2689 13.0500 13.0500 13.0567 13.0567 14.2997 14.2997 14.3007 14.3007 14.4373 14.4373 15.2624 15.2626 k = 0.0000 0.0000 0.7018 ( 4920 PWs) bands (ev): -10.1987 -10.1987 -9.6753 -9.6753 -7.2463 -7.2463 -7.2453 -7.2453 -7.0439 -7.0439 -6.8504 -6.8504 -6.8496 -6.8496 -5.7930 -5.7930 -0.6255 -0.6255 -0.6224 -0.6224 -0.5118 -0.5118 -0.5086 -0.5086 0.6184 0.6184 1.7005 1.7005 2.1494 2.1494 2.1701 2.1701 2.1715 2.1715 2.5480 2.5480 2.5501 2.5501 2.9868 2.9868 2.9884 2.9884 3.7760 3.7760 4.5592 4.5592 4.6876 4.6876 4.6960 4.6960 4.8765 4.8765 5.5008 5.5008 6.8127 6.8127 6.8164 6.8164 6.8722 6.8722 6.8772 6.8772 8.2475 8.2475 12.9857 12.9857 12.9921 12.9921 14.2050 14.2050 14.2058 14.2058 14.5145 14.5145 15.2875 15.2875 k = 0.0000 0.0000 0.7260 ( 4932 PWs) bands (ev): -10.1613 -10.1613 -9.6532 -9.6532 -7.2022 -7.2022 -7.2011 -7.2011 -7.0190 -7.0190 -6.8135 -6.8135 -6.8127 -6.8127 -5.7987 -5.7987 -0.6527 -0.6527 -0.6497 -0.6497 -0.5268 -0.5268 -0.5237 -0.5237 0.6318 0.6318 1.6286 1.6286 2.0657 2.0657 2.1940 2.1940 2.1953 2.1953 2.4804 2.4804 2.4827 2.4827 2.9361 2.9361 2.9379 2.9379 3.6560 3.6560 4.4998 4.4998 4.6568 4.6568 4.6652 4.6652 4.8989 4.8989 5.5048 5.5048 6.8134 6.8134 6.8171 6.8171 6.8776 6.8776 6.8824 6.8824 8.2232 8.2232 12.9204 12.9204 12.9266 12.9266 14.1081 14.1081 14.1088 14.1088 14.5903 14.5903 15.3140 15.3148 k = 0.0000 0.0000 0.7502 ( 4920 PWs) bands (ev): -10.1235 -10.1235 -9.6313 -9.6313 -7.1574 -7.1574 -7.1563 -7.1563 -6.9937 -6.9937 -6.7764 -6.7764 -6.7757 -6.7757 -5.8056 -5.8056 -0.6821 -0.6821 -0.6793 -0.6793 -0.5445 -0.5445 -0.5417 -0.5417 0.6445 0.6445 1.5610 1.5610 1.9837 1.9837 2.2160 2.2160 2.2173 2.2173 2.4170 2.4170 2.4195 2.4195 2.8927 2.8927 2.8946 2.8946 3.5367 3.5367 4.4439 4.4439 4.6247 4.6247 4.6332 4.6332 4.9162 4.9162 5.5147 5.5147 6.8139 6.8139 6.8176 6.8176 6.8830 6.8830 6.8876 6.8876 8.1963 8.1963 12.8551 12.8551 12.8610 12.8610 14.0103 14.0103 14.0110 14.0110 14.6646 14.6646 15.3411 15.3411 k = 0.0000 0.0000 0.7744 ( 4932 PWs) bands (ev): -10.0854 -10.0854 -9.6096 -9.6096 -7.1121 -7.1121 -7.1111 -7.1111 -6.9679 -6.9679 -6.7395 -6.7395 -6.7387 -6.7387 -5.8140 -5.8140 -0.7136 -0.7136 -0.7110 -0.7110 -0.5652 -0.5652 -0.5626 -0.5626 0.6563 0.6563 1.4977 1.4977 1.9034 1.9034 2.2352 2.2352 2.2365 2.2365 2.3581 2.3581 2.3607 2.3607 2.8572 2.8572 2.8592 2.8592 3.4181 3.4181 4.3917 4.3917 4.5913 4.5913 4.5998 4.5998 4.9274 4.9274 5.5314 5.5314 6.8144 6.8144 6.8180 6.8180 6.8884 6.8884 6.8927 6.8927 8.1665 8.1665 12.7904 12.7904 12.7961 12.7961 13.9125 13.9125 13.9129 13.9129 14.7371 14.7371 15.3678 15.3679 k = 0.0000 0.0000 0.7986 ( 4926 PWs) bands (ev): -10.0472 -10.0472 -9.5884 -9.5884 -7.0664 -7.0664 -7.0654 -7.0654 -6.9418 -6.9418 -6.7027 -6.7027 -6.7020 -6.7020 -5.8238 -5.8238 -0.7469 -0.7469 -0.7445 -0.7445 -0.5887 -0.5887 -0.5863 -0.5863 0.6672 0.6672 1.4391 1.4391 1.8252 1.8252 2.2510 2.2510 2.2523 2.2523 2.3041 2.3041 2.3068 2.3068 2.8303 2.8303 2.8325 2.8325 3.3006 3.3006 4.3435 4.3435 4.5565 4.5565 4.5650 4.5650 4.9319 4.9319 5.5552 5.5552 6.8148 6.8148 6.8184 6.8184 6.8938 6.8938 6.8978 6.8978 8.1339 8.1339 12.7272 12.7272 12.7327 12.7327 13.8151 13.8151 13.8154 13.8154 14.8078 14.8078 15.3937 15.3937 k = 0.0000 0.0000 0.8228 ( 4914 PWs) bands (ev): -10.0090 -10.0090 -9.5677 -9.5677 -7.0204 -7.0204 -7.0195 -7.0195 -6.9153 -6.9153 -6.6663 -6.6663 -6.6656 -6.6656 -5.8351 -5.8351 -0.7819 -0.7819 -0.7796 -0.7796 -0.6152 -0.6152 -0.6130 -0.6130 0.6773 0.6773 1.3853 1.3853 1.7493 1.7493 2.2539 2.2539 2.2577 2.2577 2.2635 2.2635 2.2638 2.2638 2.8126 2.8126 2.8150 2.8150 3.1844 3.1844 4.2996 4.2996 4.5203 4.5203 4.5288 4.5288 4.9297 4.9297 5.5863 5.5863 6.8153 6.8153 6.8189 6.8189 6.8990 6.8990 6.9027 6.9027 8.0984 8.0984 12.6660 12.6660 12.6713 12.6713 13.7187 13.7187 13.7189 13.7189 14.8762 14.8762 15.4180 15.4180 k = 0.0000 0.0000 0.8471 ( 4920 PWs) bands (ev): -9.9708 -9.9708 -9.5476 -9.5476 -6.9743 -6.9743 -6.9734 -6.9734 -6.8884 -6.8884 -6.6304 -6.6304 -6.6298 -6.6298 -5.8479 -5.8479 -0.8182 -0.8182 -0.8161 -0.8161 -0.6444 -0.6444 -0.6424 -0.6424 0.6864 0.6864 1.3363 1.3363 1.6758 1.6758 2.2103 2.2103 2.2136 2.2136 2.2698 2.2698 2.2708 2.2708 2.8045 2.8045 2.8069 2.8069 3.0696 3.0696 4.2599 4.2599 4.4826 4.4826 4.4911 4.4911 4.9211 4.9211 5.6242 5.6242 6.8159 6.8159 6.8194 6.8194 6.9038 6.9038 6.9074 6.9074 8.0601 8.0601 12.6072 12.6072 12.6124 12.6124 13.6236 13.6236 13.6236 13.6236 14.9421 14.9421 15.4177 15.4178 k = 0.0000 0.0000 0.8713 ( 4920 PWs) bands (ev): -9.9328 -9.9328 -9.5282 -9.5282 -6.9283 -6.9283 -6.9274 -6.9274 -6.8612 -6.8612 -6.5953 -6.5953 -6.5947 -6.5947 -5.8622 -5.8622 -0.8555 -0.8555 -0.8535 -0.8535 -0.6761 -0.6761 -0.6744 -0.6744 0.6947 0.6947 1.2922 1.2922 1.6048 1.6048 2.1711 2.1711 2.1745 2.1745 2.2719 2.2719 2.2730 2.2730 2.8057 2.8057 2.8083 2.8083 2.9566 2.9566 4.2247 4.2247 4.4435 4.4435 4.4519 4.4519 4.9068 4.9068 5.6682 5.6682 6.8166 6.8166 6.8201 6.8201 6.9084 6.9084 6.9117 6.9117 8.0189 8.0189 12.5515 12.5515 12.5565 12.5565 13.5300 13.5300 13.5302 13.5302 15.0054 15.0054 15.4213 15.4213 k = 0.0000 0.0000 0.8955 ( 4896 PWs) bands (ev): -9.8951 -9.8951 -9.5097 -9.5097 -6.8824 -6.8824 -6.8816 -6.8816 -6.8337 -6.8337 -6.5611 -6.5611 -6.5605 -6.5605 -5.8781 -5.8781 -0.8934 -0.8934 -0.8916 -0.8916 -0.7102 -0.7102 -0.7087 -0.7087 0.7024 0.7024 1.2532 1.2532 1.5365 1.5365 2.1369 2.1369 2.1403 2.1403 2.2699 2.2699 2.2709 2.2709 2.8156 2.8156 2.8184 2.8184 2.8454 2.8454 4.1940 4.1940 4.4029 4.4029 4.4113 4.4113 4.8877 4.8877 5.7175 5.7175 6.8176 6.8176 6.8209 6.8209 6.9126 6.9126 6.9157 6.9157 7.9750 7.9750 12.4992 12.4992 12.5040 12.5040 13.4383 13.4383 13.4386 13.4386 15.0662 15.0662 15.4262 15.4262 k = 0.0000 0.0000 0.9197 ( 4908 PWs) bands (ev): -9.8578 -9.8578 -9.4921 -9.4921 -6.8369 -6.8369 -6.8361 -6.8361 -6.8058 -6.8058 -6.5280 -6.5280 -6.5275 -6.5275 -5.8955 -5.8955 -0.9316 -0.9316 -0.9299 -0.9299 -0.7464 -0.7464 -0.7450 -0.7450 0.7095 0.7095 1.2191 1.2191 1.4711 1.4711 2.1074 2.1074 2.1109 2.1109 2.2642 2.2642 2.2653 2.2653 2.7362 2.7362 2.8332 2.8332 2.8361 2.8361 4.1679 4.1679 4.3609 4.3609 4.3692 4.3692 4.8643 4.8643 5.7712 5.7712 6.8187 6.8187 6.8220 6.8220 6.9163 6.9163 6.9191 6.9191 7.9284 7.9284 12.4506 12.4506 12.4553 12.4553 13.3487 13.3487 13.3491 13.3491 15.1241 15.1241 15.4327 15.4327 k = 0.0000 0.0000 0.9439 ( 4914 PWs) bands (ev): -9.8212 -9.8212 -9.4756 -9.4756 -6.7919 -6.7919 -6.7913 -6.7913 -6.7775 -6.7775 -6.4963 -6.4963 -6.4958 -6.4958 -5.9144 -5.9144 -0.9696 -0.9696 -0.9680 -0.9680 -0.7842 -0.7842 -0.7830 -0.7830 0.7161 0.7161 1.1901 1.1901 1.4086 1.4086 2.0825 2.0825 2.0861 2.0861 2.2558 2.2558 2.2569 2.2569 2.6291 2.6291 2.8573 2.8573 2.8604 2.8604 4.1464 4.1464 4.3174 4.3174 4.3257 4.3257 4.8376 4.8376 5.8287 5.8287 6.8202 6.8202 6.8234 6.8234 6.9195 6.9195 6.9220 6.9220 7.8789 7.8789 12.4060 12.4060 12.4106 12.4106 13.2613 13.2613 13.2619 13.2619 15.1794 15.1794 15.4414 15.4414 k = 0.0000 0.0000 0.9681 ( 4920 PWs) bands (ev): -9.7852 -9.7852 -9.4603 -9.4603 -6.7504 -6.7504 -6.7475 -6.7475 -6.7457 -6.7457 -6.4661 -6.4661 -6.4656 -6.4656 -5.9348 -5.9348 -1.0070 -1.0070 -1.0055 -1.0055 -0.8233 -0.8233 -0.8223 -0.8223 0.7225 0.7225 1.1662 1.1662 1.3491 1.3491 2.0621 2.0621 2.0658 2.0658 2.2455 2.2455 2.2467 2.2467 2.5244 2.5244 2.8869 2.8869 2.8901 2.8901 4.1296 4.1296 4.2726 4.2726 4.2807 4.2807 4.8080 4.8080 5.8895 5.8895 6.8220 6.8220 6.8252 6.8252 6.9220 6.9220 6.9243 6.9243 7.8270 7.8270 12.3658 12.3658 12.3703 12.3703 13.1763 13.1763 13.1771 13.1771 15.2322 15.2322 15.4523 15.4523 k = 0.0000 0.0000 0.9923 ( 4914 PWs) bands (ev): -9.7501 -9.7501 -9.4463 -9.4463 -6.7209 -6.7209 -6.7041 -6.7041 -6.7031 -6.7031 -6.4376 -6.4376 -6.4372 -6.4372 -5.9565 -5.9565 -1.0433 -1.0433 -1.0420 -1.0420 -0.8633 -0.8633 -0.8624 -0.8624 0.7287 0.7287 1.1472 1.1472 1.2928 1.2928 2.0459 2.0459 2.0496 2.0496 2.2340 2.2340 2.2352 2.2352 2.4222 2.4222 2.9209 2.9209 2.9243 2.9243 4.1174 4.1174 4.2265 4.2265 4.2346 4.2346 4.7761 4.7761 5.9530 5.9530 6.8243 6.8243 6.8273 6.8273 6.9240 6.9240 6.9260 6.9260 7.7725 7.7725 12.3302 12.3302 12.3345 12.3345 13.0940 13.0940 13.0949 13.0949 15.2828 15.2828 15.4658 15.4658 k = 0.0000 0.0000 1.0165 ( 4926 PWs) bands (ev): -9.7160 -9.7160 -9.4337 -9.4337 -6.6918 -6.6918 -6.6618 -6.6618 -6.6609 -6.6609 -6.4111 -6.4111 -6.4108 -6.4108 -5.9796 -5.9796 -1.0783 -1.0783 -1.0770 -1.0770 -0.9036 -0.9036 -0.9029 -0.9029 0.7350 0.7350 1.1333 1.1333 1.2397 1.2397 2.0335 2.0335 2.0372 2.0372 2.2218 2.2218 2.2231 2.2231 2.3226 2.3226 2.9586 2.9586 2.9622 2.9622 4.1096 4.1096 4.1792 4.1792 4.1871 4.1871 4.7422 4.7422 6.0188 6.0188 6.8269 6.8269 6.8298 6.8298 6.9252 6.9252 6.9269 6.9269 7.7157 7.7157 12.2993 12.2993 12.3035 12.3035 13.0143 13.0143 13.0155 13.0155 15.3316 15.3316 15.4820 15.4820 k = 0.0000 0.0000 1.0407 ( 4932 PWs) bands (ev): -9.6829 -9.6829 -9.4226 -9.4226 -6.6625 -6.6625 -6.6207 -6.6207 -6.6199 -6.6199 -6.3869 -6.3869 -6.3865 -6.3865 -6.0039 -6.0039 -1.1113 -1.1113 -1.1101 -1.1101 -0.9439 -0.9439 -0.9433 -0.9433 0.7413 0.7413 1.1246 1.1246 1.1898 1.1898 2.0246 2.0246 2.0283 2.0283 2.2091 2.2091 2.2105 2.2105 2.2258 2.2258 2.9993 2.9993 3.0031 3.0031 4.1061 4.1061 4.1306 4.1306 4.1385 4.1385 4.7069 4.7069 6.0867 6.0867 6.8299 6.8299 6.8327 6.8327 6.9257 6.9257 6.9271 6.9271 7.6565 7.6565 12.2733 12.2733 12.2774 12.2774 12.9376 12.9376 12.9389 12.9389 15.3789 15.3789 15.5011 15.5011 k = 0.0000 0.0000 1.0649 ( 4926 PWs) bands (ev): -9.6512 -9.6512 -9.4132 -9.4132 -6.6330 -6.6330 -6.5812 -6.5812 -6.5804 -6.5804 -6.3650 -6.3650 -6.3647 -6.3647 -6.0294 -6.0294 -1.1420 -1.1420 -1.1409 -1.1409 -0.9835 -0.9835 -0.9831 -0.9831 0.7479 0.7479 1.1212 1.1212 1.1431 1.1431 2.0189 2.0189 2.0226 2.0226 2.1320 2.1320 2.1963 2.1963 2.1978 2.1978 3.0425 3.0425 3.0465 3.0465 4.0811 4.0811 4.0889 4.0889 4.1069 4.1069 4.6705 4.6705 6.1562 6.1562 6.8334 6.8334 6.8361 6.8361 6.9254 6.9254 6.9267 6.9267 7.5952 7.5952 12.2524 12.2524 12.2564 12.2564 12.8639 12.8639 12.8653 12.8653 15.4253 15.4253 15.5232 15.5232 k = 0.0000 0.0000 1.0891 ( 4932 PWs) bands (ev): -9.6208 -9.6208 -9.4055 -9.4055 -6.6031 -6.6031 -6.5433 -6.5433 -6.5426 -6.5426 -6.3457 -6.3457 -6.3454 -6.3454 -6.0559 -6.0559 -1.1700 -1.1700 -1.1690 -1.1690 -1.0222 -1.0222 -1.0219 -1.0219 0.7548 0.7548 1.0997 1.0997 1.1231 1.1231 2.0161 2.0161 2.0198 2.0198 2.0412 2.0412 2.1834 2.1834 2.1851 2.1851 3.0878 3.0878 3.0920 3.0920 4.0306 4.0306 4.0382 4.0382 4.1118 4.1118 4.6332 4.6332 6.2271 6.2271 6.8373 6.8373 6.8399 6.8399 6.9244 6.9244 6.9254 6.9254 7.5319 7.5319 12.2366 12.2366 12.2405 12.2405 12.7934 12.7934 12.7950 12.7950 15.4709 15.4709 15.5316 15.5320 k = 0.0000 0.0000 1.1133 ( 4926 PWs) bands (ev): -9.5919 -9.5919 -9.3997 -9.3997 -6.5731 -6.5731 -6.5074 -6.5074 -6.5068 -6.5068 -6.3291 -6.3291 -6.3290 -6.3290 -6.0834 -6.0834 -1.1950 -1.1950 -1.1940 -1.1940 -1.0593 -1.0593 -1.0591 -1.0591 0.7619 0.7619 1.0596 1.0596 1.1305 1.1305 1.9536 1.9536 2.0159 2.0159 2.0196 2.0196 2.1706 2.1706 2.1724 2.1724 3.1349 3.1349 3.1393 3.1393 3.9792 3.9792 3.9867 3.9867 4.1205 4.1205 4.5954 4.5954 6.2992 6.2992 6.8417 6.8417 6.8442 6.8442 6.9227 6.9227 6.9234 6.9234 7.4667 7.4667 12.2260 12.2260 12.2298 12.2298 12.7262 12.7262 12.7280 12.7280 15.5149 15.5149 15.5344 15.5346 k = 0.0000 0.0000 1.1375 ( 4950 PWs) bands (ev): -9.5646 -9.5646 -9.3958 -9.3958 -6.5427 -6.5427 -6.4737 -6.4737 -6.4731 -6.4731 -6.3156 -6.3156 -6.3155 -6.3155 -6.1118 -6.1118 -1.2166 -1.2166 -1.2157 -1.2157 -1.0946 -1.0946 -1.0945 -1.0945 0.7694 0.7694 1.0226 1.0226 1.1435 1.1435 1.8695 1.8695 2.0180 2.0180 2.0216 2.0216 2.1579 2.1579 2.1598 2.1598 3.1835 3.1835 3.1881 3.1881 3.9271 3.9271 3.9344 3.9344 4.1330 4.1330 4.5573 4.5573 6.3723 6.3723 6.8464 6.8464 6.8488 6.8488 6.9203 6.9203 6.9207 6.9207 7.3998 7.3998 12.2207 12.2207 12.2243 12.2243 12.6625 12.6625 12.6645 12.6645 15.5318 15.5318 15.5406 15.5406 k = 0.0000 0.0000 1.1617 ( 4938 PWs) bands (ev): -9.5391 -9.5391 -9.3938 -9.3938 -6.5121 -6.5121 -6.4423 -6.4423 -6.4417 -6.4417 -6.3052 -6.3052 -6.3051 -6.3051 -6.1409 -6.1409 -1.2345 -1.2345 -1.2338 -1.2338 -1.1274 -1.1274 -1.1273 -1.1273 0.7774 0.7774 0.9888 0.9888 1.1621 1.1621 1.7889 1.7889 2.0220 2.0220 2.0255 2.0255 2.1453 2.1453 2.1473 2.1473 3.2335 3.2335 3.2383 3.2383 3.8743 3.8743 3.8814 3.8814 4.1489 4.1489 4.5191 4.5191 6.4463 6.4463 6.8516 6.8516 6.8538 6.8538 6.9172 6.9172 6.9174 6.9174 7.3313 7.3313 12.2205 12.2205 12.2241 12.2241 12.6025 12.6025 12.6046 12.6046 15.5341 15.5341 15.5423 15.5423 k = 0.0000 0.0000 1.1859 ( 4944 PWs) bands (ev): -9.5154 -9.5154 -9.3940 -9.3940 -6.4813 -6.4813 -6.4134 -6.4134 -6.4129 -6.4129 -6.2980 -6.2980 -6.2980 -6.2980 -6.1706 -6.1706 -1.2486 -1.2486 -1.2479 -1.2479 -1.1575 -1.1575 -1.1574 -1.1574 0.7860 0.7860 0.9581 0.9581 1.1865 1.1865 1.7121 1.7121 2.0277 2.0277 2.0312 2.0312 2.1328 2.1328 2.1350 2.1350 3.2844 3.2844 3.2895 3.2895 3.8209 3.8209 3.8279 3.8279 4.1680 4.1680 4.4811 4.4811 6.5208 6.5208 6.8571 6.8571 6.8590 6.8590 6.9134 6.9134 6.9134 6.9134 7.2614 7.2614 12.2257 12.2257 12.2291 12.2291 12.5463 12.5463 12.5485 12.5485 15.5366 15.5366 15.5449 15.5449 k = 0.0000 0.0000 1.2101 ( 4944 PWs) bands (ev): -9.4936 -9.4936 -9.3963 -9.3963 -6.4503 -6.4503 -6.3873 -6.3873 -6.3869 -6.3869 -6.2942 -6.2942 -6.2942 -6.2942 -6.2009 -6.2009 -1.2585 -1.2585 -1.2579 -1.2579 -1.1845 -1.1845 -1.1843 -1.1843 0.7954 0.7954 0.9304 0.9304 1.2164 1.2164 1.6391 1.6391 2.0348 2.0348 2.0382 2.0382 2.1204 2.1204 2.1228 2.1228 3.3364 3.3364 3.3416 3.3416 3.7671 3.7671 3.7739 3.7739 4.1900 4.1900 4.4436 4.4436 6.5957 6.5957 6.8628 6.8628 6.8646 6.8646 6.9089 6.9089 6.9092 6.9092 7.1902 7.1902 12.2360 12.2360 12.2393 12.2393 12.4940 12.4940 12.4964 12.4964 15.5400 15.5400 15.5484 15.5484 k = 0.0000 0.0000 1.2343 ( 4932 PWs) bands (ev): -9.4739 -9.4739 -9.4007 -9.4007 -6.4192 -6.4192 -6.3642 -6.3642 -6.3637 -6.3637 -6.2938 -6.2938 -6.2938 -6.2938 -6.2315 -6.2315 -1.2642 -1.2642 -1.2636 -1.2636 -1.2080 -1.2080 -1.2077 -1.2077 0.8059 0.8059 0.9055 0.9055 1.2519 1.2519 1.5702 1.5702 2.0432 2.0432 2.0464 2.0464 2.1083 2.1083 2.1107 2.1107 3.3890 3.3890 3.3945 3.3945 3.7130 3.7130 3.7197 3.7197 4.2149 4.2149 4.4068 4.4068 6.6709 6.6709 6.8687 6.8687 6.8704 6.8704 6.9039 6.9039 6.9044 6.9044 7.1180 7.1180 12.2514 12.2514 12.2547 12.2547 12.4458 12.4458 12.4483 12.4483 15.5447 15.5447 15.5533 15.5533 k = 0.0000 0.0000 1.2585 ( 4920 PWs) bands (ev): -9.4562 -9.4562 -9.4074 -9.4074 -6.3879 -6.3879 -6.3441 -6.3441 -6.3437 -6.3437 -6.2970 -6.2970 -6.2970 -6.2970 -6.2624 -6.2624 -1.2656 -1.2656 -1.2650 -1.2650 -1.2277 -1.2277 -1.2275 -1.2275 0.8178 0.8178 0.8833 0.8833 1.2927 1.2927 1.5055 1.5055 2.0525 2.0525 2.0557 2.0557 2.0963 2.0963 2.0989 2.0989 3.4424 3.4424 3.4480 3.4480 3.6588 3.6588 3.6653 3.6653 4.2422 4.2422 4.3710 4.3710 6.7462 6.7462 6.8748 6.8748 6.8762 6.8762 6.8986 6.8986 6.8993 6.8993 7.0448 7.0448 12.2719 12.2719 12.2750 12.2750 12.4019 12.4019 12.4046 12.4046 15.5509 15.5509 15.5597 15.5597 k = 0.0000 0.0000 1.2827 ( 4920 PWs) bands (ev): -9.4407 -9.4407 -9.4163 -9.4163 -6.3566 -6.3566 -6.3272 -6.3272 -6.3268 -6.3268 -6.3038 -6.3038 -6.3036 -6.3036 -6.2933 -6.2933 -1.2626 -1.2626 -1.2621 -1.2621 -1.2435 -1.2435 -1.2432 -1.2432 0.8311 0.8311 0.8637 0.8637 1.3386 1.3386 1.4452 1.4452 2.0626 2.0626 2.0657 2.0657 2.0847 2.0847 2.0874 2.0874 3.4961 3.4961 3.5020 3.5020 3.6045 3.6045 3.6107 3.6107 4.2717 4.2717 4.3364 4.3364 6.8213 6.8213 6.8809 6.8809 6.8821 6.8821 6.8929 6.8929 6.8938 6.8938 6.9709 6.9709 12.2973 12.2973 12.3003 12.3003 12.3624 12.3624 12.3652 12.3652 15.5587 15.5587 15.5678 15.5678 k = 0.0000 0.0000 1.3069 ( 4932 PWs) bands (ev): -9.4274 -9.4274 -9.4274 -9.4274 -6.3254 -6.3254 -6.3254 -6.3254 -6.3137 -6.3137 -6.3137 -6.3137 -6.3131 -6.3131 -6.3131 -6.3131 -1.2552 -1.2552 -1.2552 -1.2552 -1.2548 -1.2548 -1.2548 -1.2548 0.8464 0.8464 0.8464 0.8464 1.3895 1.3895 1.3895 1.3895 2.0734 2.0734 2.0734 2.0734 2.0763 2.0763 2.0763 2.0763 3.5502 3.5502 3.5502 3.5502 3.5563 3.5563 3.5563 3.5563 4.3032 4.3032 4.3032 4.3032 6.8869 6.8869 6.8869 6.8869 6.8878 6.8878 6.8878 6.8878 6.8965 6.8965 6.8965 6.8965 12.3275 12.3275 12.3275 12.3275 12.3304 12.3304 12.3304 12.3304 15.5684 15.5684 15.5684 15.5685 k = 0.0000 0.0000 1.3069 ( 4932 PWs) bands (ev): -9.4274 -9.4274 -9.4274 -9.4274 -6.3254 -6.3254 -6.3254 -6.3254 -6.3137 -6.3137 -6.3137 -6.3137 -6.3131 -6.3131 -6.3131 -6.3131 -1.2552 -1.2552 -1.2552 -1.2552 -1.2548 -1.2548 -1.2548 -1.2548 0.8464 0.8464 0.8464 0.8464 1.3895 1.3895 1.3895 1.3895 2.0734 2.0734 2.0734 2.0734 2.0763 2.0763 2.0763 2.0763 3.5502 3.5502 3.5502 3.5502 3.5563 3.5563 3.5563 3.5563 4.3032 4.3032 4.3032 4.3032 6.8869 6.8869 6.8869 6.8869 6.8878 6.8878 6.8878 6.8878 6.8965 6.8965 6.8965 6.8965 12.3275 12.3275 12.3275 12.3275 12.3304 12.3304 12.3304 12.3304 15.5684 15.5684 15.5684 15.5710 k = 0.0208 0.0120 1.3069 ( 4924 PWs) bands (ev): -9.4274 -9.4274 -9.4274 -9.4274 -6.3308 -6.3308 -6.3308 -6.3308 -6.3138 -6.3138 -6.3138 -6.3138 -6.3078 -6.3078 -6.3078 -6.3078 -1.2549 -1.2549 -1.2549 -1.2549 -1.2535 -1.2535 -1.2535 -1.2535 0.8456 0.8456 0.8456 0.8456 1.3863 1.3863 1.3863 1.3863 2.0736 2.0736 2.0738 2.0738 2.0769 2.0769 2.0770 2.0770 3.5489 3.5489 3.5494 3.5494 3.5564 3.5564 3.5569 3.5569 4.3055 4.3055 4.3055 4.3055 6.8660 6.8660 6.8660 6.8660 6.8877 6.8877 6.8877 6.8877 6.9182 6.9182 6.9182 6.9182 12.3283 12.3283 12.3283 12.3283 12.3324 12.3324 12.3324 12.3324 15.5607 15.5608 15.5608 15.5608 k = 0.0417 0.0241 1.3069 ( 4924 PWs) bands (ev): -9.4273 -9.4273 -9.4273 -9.4273 -6.3396 -6.3396 -6.3396 -6.3396 -6.3144 -6.3144 -6.3143 -6.3143 -6.2988 -6.2988 -6.2988 -6.2988 -1.2544 -1.2544 -1.2544 -1.2544 -1.2491 -1.2491 -1.2491 -1.2491 0.8435 0.8435 0.8435 0.8435 1.3767 1.3767 1.3767 1.3767 2.0733 2.0733 2.0738 2.0738 2.0798 2.0798 2.0803 2.0803 3.5421 3.5421 3.5436 3.5436 3.5604 3.5604 3.5619 3.5619 4.3123 4.3123 4.3123 4.3123 6.8413 6.8413 6.8414 6.8414 6.8883 6.8883 6.8884 6.8884 6.9441 6.9441 6.9442 6.9442 12.3285 12.3285 12.3286 12.3286 12.3403 12.3403 12.3404 12.3404 15.5350 15.5350 15.5353 15.5353 k = 0.0625 0.0361 1.3069 ( 4924 PWs) bands (ev): -9.4271 -9.4271 -9.4271 -9.4271 -6.3489 -6.3489 -6.3489 -6.3489 -6.3153 -6.3153 -6.3153 -6.3153 -6.2894 -6.2894 -6.2894 -6.2894 -1.2537 -1.2537 -1.2537 -1.2537 -1.2419 -1.2419 -1.2418 -1.2418 0.8398 0.8398 0.8398 0.8398 1.3610 1.3610 1.3610 1.3610 2.0723 2.0723 2.0730 2.0730 2.0854 2.0854 2.0862 2.0862 3.5299 3.5299 3.5323 3.5323 3.5687 3.5687 3.5711 3.5711 4.3233 4.3233 4.3234 4.3234 6.8173 6.8173 6.8174 6.8174 6.8894 6.8894 6.8895 6.8895 6.9702 6.9702 6.9703 6.9703 12.3283 12.3283 12.3284 12.3284 12.3542 12.3542 12.3543 12.3543 15.4928 15.4928 15.4933 15.4933 k = 0.0833 0.0481 1.3069 ( 4918 PWs) bands (ev): -9.4269 -9.4269 -9.4269 -9.4269 -6.3581 -6.3581 -6.3581 -6.3581 -6.3166 -6.3166 -6.3165 -6.3165 -6.2799 -6.2799 -6.2799 -6.2799 -1.2527 -1.2527 -1.2527 -1.2527 -1.2317 -1.2317 -1.2317 -1.2317 0.8345 0.8345 0.8345 0.8345 1.3397 1.3397 1.3398 1.3398 2.0707 2.0707 2.0717 2.0717 2.0934 2.0934 2.0946 2.0946 3.5133 3.5133 3.5164 3.5164 3.5804 3.5804 3.5836 3.5836 4.3381 4.3381 4.3382 4.3382 6.7943 6.7943 6.7944 6.7944 6.8909 6.8909 6.8911 6.8911 6.9962 6.9962 6.9963 6.9963 12.3280 12.3280 12.3281 12.3281 12.3736 12.3736 12.3737 12.3737 15.4378 15.4378 15.4385 15.4385 k = 0.1042 0.0601 1.3069 ( 4918 PWs) bands (ev): -9.4267 -9.4267 -9.4267 -9.4267 -6.3672 -6.3672 -6.3671 -6.3671 -6.3182 -6.3182 -6.3181 -6.3181 -6.2705 -6.2705 -6.2705 -6.2705 -1.2514 -1.2514 -1.2514 -1.2514 -1.2189 -1.2189 -1.2189 -1.2189 0.8276 0.8276 0.8276 0.8276 1.3135 1.3135 1.3137 1.3137 2.0688 2.0688 2.0700 2.0700 2.1036 2.1036 2.1051 2.1051 3.4928 3.4928 3.4965 3.4965 3.5950 3.5950 3.5988 3.5988 4.3562 4.3562 4.3565 4.3565 6.7723 6.7723 6.7725 6.7725 6.8929 6.8929 6.8932 6.8932 7.0217 7.0217 7.0219 7.0219 12.3274 12.3274 12.3276 12.3276 12.3984 12.3984 12.3985 12.3985 15.3727 15.3727 15.3738 15.3738 k = 0.1250 0.0722 1.3069 ( 4914 PWs) bands (ev): -9.4263 -9.4263 -9.4263 -9.4263 -6.3760 -6.3760 -6.3760 -6.3760 -6.3201 -6.3201 -6.3200 -6.3200 -6.2612 -6.2612 -6.2612 -6.2612 -1.2499 -1.2499 -1.2499 -1.2499 -1.2034 -1.2034 -1.2033 -1.2033 0.8189 0.8189 0.8190 0.8190 1.2831 1.2831 1.2834 1.2834 2.0667 2.0667 2.0681 2.0681 2.1160 2.1160 2.1179 2.1179 3.4688 3.4688 3.4731 3.4731 3.6119 3.6119 3.6162 3.6162 4.3771 4.3771 4.3775 4.3775 6.7516 6.7516 6.7518 6.7518 6.8954 6.8954 6.8957 6.8957 7.0468 7.0468 7.0469 7.0469 12.3268 12.3268 12.3270 12.3270 12.4284 12.4284 12.4286 12.4286 15.3000 15.3000 15.3013 15.3013 k = 0.1458 0.0842 1.3069 ( 4906 PWs) bands (ev): -9.4260 -9.4260 -9.4260 -9.4260 -6.3846 -6.3846 -6.3846 -6.3846 -6.3222 -6.3222 -6.3222 -6.3222 -6.2521 -6.2521 -6.2521 -6.2521 -1.2482 -1.2482 -1.2482 -1.2482 -1.1853 -1.1853 -1.1853 -1.1853 0.8083 0.8083 0.8085 0.8085 1.2494 1.2494 1.2498 1.2498 2.0644 2.0644 2.0658 2.0658 2.1306 2.1306 2.1328 2.1328 3.4418 3.4418 3.4466 3.4466 3.6306 3.6306 3.6354 3.6354 4.4003 4.4003 4.4008 4.4008 6.7322 6.7322 6.7324 6.7324 6.8984 6.8984 6.8988 6.8988 7.0710 7.0710 7.0712 7.0712 12.3259 12.3259 12.3261 12.3261 12.4634 12.4634 12.4637 12.4637 15.2212 15.2212 15.2229 15.2229 k = 0.1667 0.0962 1.3069 ( 4908 PWs) bands (ev): -9.4256 -9.4256 -9.4256 -9.4256 -6.3929 -6.3929 -6.3929 -6.3929 -6.3246 -6.3246 -6.3246 -6.3246 -6.2433 -6.2433 -6.2432 -6.2432 -1.2463 -1.2463 -1.2462 -1.2462 -1.1648 -1.1648 -1.1648 -1.1648 0.7956 0.7956 0.7959 0.7959 1.2132 1.2132 1.2138 1.2138 2.0619 2.0619 2.0635 2.0635 2.1471 2.1471 2.1497 2.1497 3.4121 3.4121 3.4173 3.4173 3.6505 3.6505 3.6557 3.6557 4.4251 4.4251 4.4257 4.4257 6.7143 6.7143 6.7145 6.7145 6.9019 6.9019 6.9023 6.9023 7.0944 7.0944 7.0946 7.0946 12.3249 12.3249 12.3251 12.3251 12.5034 12.5034 12.5037 12.5037 15.1378 15.1378 15.1398 15.1398 k = 0.1875 0.1083 1.3069 ( 4904 PWs) bands (ev): -9.4252 -9.4252 -9.4252 -9.4252 -6.4009 -6.4009 -6.4008 -6.4008 -6.3272 -6.3272 -6.3271 -6.3271 -6.2347 -6.2347 -6.2347 -6.2347 -1.2442 -1.2442 -1.2441 -1.2441 -1.1422 -1.1422 -1.1421 -1.1421 0.7806 0.7806 0.7810 0.7810 1.1756 1.1756 1.1764 1.1764 2.0594 2.0594 2.0610 2.0610 2.1657 2.1657 2.1686 2.1686 3.3800 3.3800 3.3856 3.3856 3.6712 3.6712 3.6766 3.6766 4.4512 4.4512 4.4520 4.4520 6.6977 6.6977 6.6979 6.6979 6.9059 6.9059 6.9064 6.9064 7.1167 7.1167 7.1169 7.1169 12.3236 12.3236 12.3239 12.3239 12.5480 12.5480 12.5484 12.5484 15.0510 15.0510 15.0533 15.0533 k = 0.2083 0.1203 1.3069 ( 4900 PWs) bands (ev): -9.4247 -9.4247 -9.4247 -9.4247 -6.4084 -6.4084 -6.4084 -6.4084 -6.3299 -6.3299 -6.3298 -6.3298 -6.2265 -6.2265 -6.2265 -6.2265 -1.2419 -1.2419 -1.2419 -1.2419 -1.1175 -1.1175 -1.1175 -1.1175 0.7630 0.7630 0.7635 0.7635 1.1377 1.1377 1.1386 1.1386 2.0570 2.0570 2.0585 2.0585 2.1863 2.1863 2.1895 2.1895 3.3460 3.3460 3.3519 3.3519 3.6922 3.6922 3.6978 3.6978 4.4781 4.4781 4.4790 4.4790 6.6827 6.6827 6.6829 6.6829 6.9104 6.9104 6.9109 6.9109 7.1378 7.1378 7.1381 7.1381 12.3222 12.3222 12.3225 12.3225 12.5969 12.5969 12.5974 12.5974 14.9616 14.9616 14.9642 14.9642 k = 0.2292 0.1323 1.3069 ( 4900 PWs) bands (ev): -9.4243 -9.4243 -9.4243 -9.4243 -6.4156 -6.4156 -6.4156 -6.4156 -6.3327 -6.3327 -6.3327 -6.3327 -6.2187 -6.2187 -6.2186 -6.2186 -1.2396 -1.2396 -1.2395 -1.2395 -1.0911 -1.0911 -1.0911 -1.0911 0.7426 0.7426 0.7432 0.7432 1.1003 1.1003 1.1014 1.1014 2.0545 2.0545 2.0561 2.0561 2.2088 2.2088 2.2123 2.2123 3.3103 3.3103 3.3163 3.3163 3.7130 3.7130 3.7186 3.7186 4.5052 4.5052 4.5063 4.5063 6.6690 6.6690 6.6693 6.6693 6.9154 6.9154 6.9159 6.9159 7.1576 7.1576 7.1579 7.1579 12.3205 12.3205 12.3209 12.3209 12.6501 12.6501 12.6506 12.6506 14.8705 14.8705 14.8733 14.8733 k = 0.2500 0.1443 1.3069 ( 4906 PWs) bands (ev): -9.4238 -9.4238 -9.4238 -9.4238 -6.4224 -6.4224 -6.4224 -6.4224 -6.3356 -6.3356 -6.3355 -6.3355 -6.2112 -6.2112 -6.2112 -6.2112 -1.2372 -1.2372 -1.2371 -1.2371 -1.0633 -1.0633 -1.0632 -1.0632 0.7192 0.7192 0.7199 0.7199 1.0646 1.0646 1.0658 1.0658 2.0522 2.0522 2.0537 2.0537 2.2331 2.2331 2.2369 2.2369 3.2731 3.2731 3.2793 3.2793 3.7333 3.7333 3.7389 3.7389 4.5323 4.5323 4.5335 4.5335 6.6568 6.6568 6.6570 6.6570 6.9207 6.9207 6.9213 6.9213 7.1760 7.1760 7.1763 7.1763 12.3187 12.3187 12.3190 12.3190 12.7070 12.7070 12.7077 12.7077 14.7783 14.7783 14.7813 14.7813 k = 0.2708 0.1564 1.3069 ( 4906 PWs) bands (ev): -9.4233 -9.4233 -9.4233 -9.4233 -6.4287 -6.4287 -6.4287 -6.4287 -6.3384 -6.3384 -6.3384 -6.3384 -6.2043 -6.2043 -6.2042 -6.2042 -1.2347 -1.2347 -1.2347 -1.2347 -1.0343 -1.0343 -1.0342 -1.0342 0.6929 0.6929 0.6937 0.6937 1.0314 1.0314 1.0327 1.0327 2.0500 2.0500 2.0515 2.0515 2.2592 2.2592 2.2633 2.2633 3.2347 3.2347 3.2410 3.2410 3.7527 3.7527 3.7582 3.7582 4.5590 4.5590 4.5602 4.5602 6.6459 6.6459 6.6462 6.6462 6.9264 6.9264 6.9270 6.9270 7.1930 7.1930 7.1933 7.1933 12.3166 12.3166 12.3169 12.3169 12.7676 12.7676 12.7683 12.7683 14.6855 14.6855 14.6887 14.6887 k = 0.2917 0.1684 1.3069 ( 4914 PWs) bands (ev): -9.4229 -9.4229 -9.4229 -9.4229 -6.4345 -6.4345 -6.4345 -6.4345 -6.3412 -6.3412 -6.3412 -6.3412 -6.1978 -6.1978 -6.1977 -6.1977 -1.2323 -1.2323 -1.2322 -1.2322 -1.0046 -1.0046 -1.0045 -1.0045 0.6637 0.6637 0.6646 0.6646 1.0013 1.0013 1.0026 1.0026 2.0480 2.0480 2.0494 2.0494 2.2869 2.2869 2.2912 2.2912 3.1954 3.1954 3.2018 3.2018 3.7710 3.7710 3.7762 3.7762 4.5848 4.5848 4.5860 4.5860 6.6364 6.6364 6.6366 6.6366 6.9323 6.9323 6.9329 6.9329 7.2084 7.2084 7.2087 7.2087 12.3144 12.3144 12.3147 12.3147 12.8313 12.8313 12.8322 12.8322 14.5926 14.5926 14.5958 14.5958 k = 0.3125 0.1804 1.3069 ( 4918 PWs) bands (ev): -9.4224 -9.4224 -9.4224 -9.4224 -6.4399 -6.4399 -6.4398 -6.4398 -6.3439 -6.3439 -6.3439 -6.3439 -6.1918 -6.1918 -6.1918 -6.1918 -1.2299 -1.2299 -1.2298 -1.2298 -0.9746 -0.9746 -0.9745 -0.9745 0.6324 0.6324 0.6332 0.6332 0.9746 0.9746 0.9759 0.9759 2.0462 2.0462 2.0474 2.0474 2.3161 2.3161 2.3206 2.3206 3.1555 3.1555 3.1619 3.1619 3.7879 3.7879 3.7929 3.7929 4.6094 4.6094 4.6105 4.6105 6.6281 6.6281 6.6283 6.6283 6.9384 6.9384 6.9389 6.9389 7.2223 7.2223 7.2226 7.2226 12.3120 12.3120 12.3123 12.3123 12.8979 12.8979 12.8989 12.8989 14.4999 14.4999 14.5033 14.5033 k = 0.3333 0.1925 1.3069 ( 4930 PWs) bands (ev): -9.4220 -9.4220 -9.4220 -9.4220 -6.4447 -6.4447 -6.4447 -6.4447 -6.3465 -6.3465 -6.3464 -6.3464 -6.1864 -6.1864 -6.1863 -6.1863 -1.2276 -1.2276 -1.2276 -1.2276 -0.9448 -0.9448 -0.9448 -0.9448 0.5996 0.5996 0.6004 0.6004 0.9515 0.9515 0.9528 0.9528 2.0445 2.0445 2.0457 2.0457 2.3464 2.3464 2.3511 2.3511 3.1153 3.1153 3.1217 3.1217 3.8034 3.8034 3.8079 3.8079 4.6324 4.6324 4.6335 4.6335 6.6209 6.6209 6.6211 6.6211 6.9444 6.9444 6.9449 6.9449 7.2346 7.2346 7.2349 7.2349 12.3096 12.3096 12.3099 12.3099 12.9670 12.9670 12.9681 12.9681 14.4079 14.4079 14.4113 14.4113 k = 0.3542 0.2045 1.3069 ( 4934 PWs) bands (ev): -9.4216 -9.4216 -9.4216 -9.4216 -6.4490 -6.4490 -6.4490 -6.4490 -6.3489 -6.3489 -6.3488 -6.3488 -6.1815 -6.1815 -6.1815 -6.1815 -1.2254 -1.2254 -1.2254 -1.2254 -0.9159 -0.9159 -0.9159 -0.9159 0.5665 0.5665 0.5672 0.5672 0.9318 0.9318 0.9330 0.9330 2.0431 2.0431 2.0441 2.0441 2.3777 2.3777 2.3824 2.3824 3.0753 3.0753 3.0815 3.0815 3.8172 3.8172 3.8213 3.8213 4.6536 4.6536 4.6546 4.6546 6.6147 6.6147 6.6149 6.6149 6.9502 6.9502 6.9507 6.9507 7.2454 7.2454 7.2457 7.2457 12.3072 12.3072 12.3075 12.3075 13.0380 13.0380 13.0393 13.0393 14.3170 14.3170 14.3204 14.3204 k = 0.3750 0.2165 1.3069 ( 4940 PWs) bands (ev): -9.4212 -9.4212 -9.4212 -9.4212 -6.4527 -6.4527 -6.4527 -6.4527 -6.3510 -6.3510 -6.3509 -6.3509 -6.1772 -6.1772 -6.1772 -6.1772 -1.2235 -1.2235 -1.2235 -1.2235 -0.8885 -0.8885 -0.8885 -0.8885 0.5342 0.5342 0.5349 0.5349 0.9154 0.9154 0.9164 0.9164 2.0418 2.0418 2.0428 2.0428 2.4094 2.4094 2.4141 2.4141 3.0360 3.0360 3.0420 3.0420 3.8293 3.8293 3.8329 3.8329 4.6726 4.6726 4.6736 4.6736 6.6096 6.6096 6.6098 6.6098 6.9557 6.9557 6.9562 6.9562 7.2546 7.2546 7.2549 7.2549 12.3048 12.3048 12.3051 12.3051 13.1105 13.1105 13.1119 13.1119 14.2277 14.2277 14.2310 14.2310 k = 0.3958 0.2285 1.3069 ( 4938 PWs) bands (ev): -9.4209 -9.4209 -9.4209 -9.4209 -6.4559 -6.4559 -6.4559 -6.4559 -6.3529 -6.3529 -6.3528 -6.3528 -6.1736 -6.1736 -6.1736 -6.1736 -1.2217 -1.2217 -1.2217 -1.2217 -0.8634 -0.8634 -0.8633 -0.8633 0.5041 0.5041 0.5047 0.5047 0.9019 0.9019 0.9027 0.9027 2.0408 2.0408 2.0416 2.0416 2.4409 2.4409 2.4455 2.4455 2.9981 2.9981 3.0038 3.0038 3.8397 3.8397 3.8428 3.8428 4.6892 4.6892 4.6901 4.6901 6.6054 6.6054 6.6055 6.6055 6.9608 6.9608 6.9612 6.9612 7.2624 7.2624 7.2627 7.2627 12.3026 12.3026 12.3029 12.3029 13.1836 13.1836 13.1851 13.1851 14.1407 14.1407 14.1439 14.1439 k = 0.4167 0.2406 1.3069 ( 4942 PWs) bands (ev): -9.4206 -9.4206 -9.4206 -9.4206 -6.4585 -6.4585 -6.4585 -6.4585 -6.3544 -6.3544 -6.3544 -6.3544 -6.1706 -6.1706 -6.1706 -6.1706 -1.2203 -1.2203 -1.2203 -1.2203 -0.8413 -0.8413 -0.8412 -0.8412 0.4773 0.4773 0.4778 0.4778 0.8911 0.8911 0.8918 0.8918 2.0400 2.0400 2.0406 2.0406 2.4712 2.4712 2.4755 2.4755 2.9626 2.9626 2.9678 2.9678 3.8482 3.8482 3.8508 3.8508 4.7032 4.7032 4.7038 4.7038 6.6020 6.6020 6.6022 6.6022 6.9652 6.9652 6.9655 6.9655 7.2687 7.2687 7.2689 7.2689 12.3007 12.3007 12.3009 12.3009 13.2560 13.2560 13.2576 13.2576 14.0571 14.0571 14.0600 14.0600 k = 0.4375 0.2526 1.3069 ( 4938 PWs) bands (ev): -9.4204 -9.4204 -9.4204 -9.4204 -6.4606 -6.4606 -6.4606 -6.4606 -6.3557 -6.3557 -6.3557 -6.3557 -6.1683 -6.1683 -6.1682 -6.1682 -1.2191 -1.2191 -1.2191 -1.2191 -0.8230 -0.8230 -0.8229 -0.8229 0.4551 0.4551 0.4554 0.4554 0.8829 0.8829 0.8835 0.8835 2.0394 2.0394 2.0399 2.0399 2.4991 2.4991 2.5028 2.5028 2.9311 2.9311 2.9356 2.9356 3.8550 3.8550 3.8569 3.8569 4.7142 4.7142 4.7148 4.7148 6.5995 6.5995 6.5996 6.5996 6.9688 6.9688 6.9690 6.9690 7.2736 7.2736 7.2737 7.2737 12.2991 12.2991 12.2993 12.2993 13.3258 13.3258 13.3273 13.3273 13.9789 13.9789 13.9816 13.9816 k = 0.4583 0.2646 1.3069 ( 4944 PWs) bands (ev): -9.4203 -9.4203 -9.4203 -9.4203 -6.4621 -6.4621 -6.4621 -6.4621 -6.3566 -6.3566 -6.3566 -6.3566 -6.1666 -6.1666 -6.1666 -6.1666 -1.2182 -1.2182 -1.2182 -1.2182 -0.8093 -0.8093 -0.8092 -0.8092 0.4383 0.4383 0.4386 0.4386 0.8772 0.8772 0.8775 0.8775 2.0390 2.0390 2.0393 2.0393 2.5224 2.5224 2.5253 2.5253 2.9057 2.9057 2.9091 2.9091 3.8599 3.8599 3.8612 3.8612 4.7223 4.7223 4.7227 4.7227 6.5977 6.5977 6.5978 6.5978 6.9714 6.9714 6.9716 6.9716 7.2770 7.2770 7.2771 7.2771 12.2979 12.2979 12.2980 12.2980 13.3886 13.3886 13.3901 13.3901 13.9103 13.9103 13.9125 13.9125 k = 0.4792 0.2766 1.3069 ( 4944 PWs) bands (ev): -9.4202 -9.4202 -9.4202 -9.4202 -6.4629 -6.4629 -6.4629 -6.4629 -6.3572 -6.3572 -6.3571 -6.3571 -6.1655 -6.1655 -6.1655 -6.1655 -1.2177 -1.2177 -1.2177 -1.2177 -0.8008 -0.8008 -0.8008 -0.8008 0.4280 0.4280 0.4281 0.4281 0.8738 0.8738 0.8740 0.8740 2.0388 2.0388 2.0389 2.0389 2.5386 2.5386 2.5402 2.5402 2.8891 2.8891 2.8909 2.8909 3.8629 3.8629 3.8636 3.8636 4.7272 4.7272 4.7274 4.7274 6.5966 6.5966 6.5967 6.5967 6.9731 6.9731 6.9732 6.9732 7.2791 7.2791 7.2791 7.2791 12.2972 12.2972 12.2973 12.2973 13.4364 13.4364 13.4373 13.4373 13.8596 13.8596 13.8609 13.8609 k = 0.5000 0.2887 1.3069 ( 4940 PWs) bands (ev): -9.4202 -9.4202 -9.4202 -9.4202 -6.4632 -6.4632 -6.4632 -6.4632 -6.3573 -6.3573 -6.3573 -6.3573 -6.1652 -6.1652 -6.1652 -6.1652 -1.2175 -1.2175 -1.2175 -1.2175 -0.7979 -0.7979 -0.7979 -0.7979 0.4245 0.4245 0.4245 0.4245 0.8727 0.8727 0.8727 0.8727 2.0388 2.0388 2.0388 2.0388 2.5449 2.5449 2.5449 2.5449 2.8838 2.8838 2.8838 2.8838 3.8642 3.8642 3.8642 3.8642 4.7289 4.7289 4.7289 4.7289 6.5963 6.5963 6.5963 6.5963 6.9737 6.9737 6.9737 6.9737 7.2798 7.2798 7.2798 7.2798 12.2970 12.2970 12.2970 12.2970 13.4555 13.4555 13.4555 13.4555 13.8404 13.8404 13.8404 13.8404 k = 0.5000 0.2887 1.3069 ( 4940 PWs) bands (ev): -9.4202 -9.4202 -9.4202 -9.4202 -6.4632 -6.4632 -6.4632 -6.4632 -6.3573 -6.3573 -6.3573 -6.3573 -6.1652 -6.1652 -6.1652 -6.1652 -1.2175 -1.2175 -1.2175 -1.2175 -0.7979 -0.7979 -0.7979 -0.7979 0.4245 0.4245 0.4245 0.4245 0.8727 0.8727 0.8727 0.8727 2.0388 2.0388 2.0388 2.0388 2.5449 2.5449 2.5449 2.5449 2.8838 2.8838 2.8838 2.8838 3.8642 3.8642 3.8642 3.8642 4.7289 4.7289 4.7289 4.7289 6.5963 6.5963 6.5963 6.5963 6.9737 6.9737 6.9737 6.9737 7.2798 7.2798 7.2798 7.2798 12.2970 12.2970 12.2970 12.2970 13.4555 13.4555 13.4555 13.4555 13.8404 13.8404 13.8404 13.8404 k = 0.4881 0.3093 1.3069 ( 4944 PWs) bands (ev): -9.4201 -9.4201 -9.4201 -9.4201 -6.4631 -6.4631 -6.4631 -6.4631 -6.3578 -6.3578 -6.3578 -6.3578 -6.1650 -6.1650 -6.1649 -6.1649 -1.2169 -1.2169 -1.2168 -1.2168 -0.7982 -0.7982 -0.7982 -0.7982 0.4244 0.4244 0.4245 0.4245 0.8735 0.8735 0.8739 0.8739 2.0322 2.0322 2.0329 2.0329 2.5476 2.5476 2.5478 2.5478 2.8874 2.8874 2.8879 2.8879 3.8613 3.8613 3.8619 3.8619 4.7294 4.7294 4.7303 4.7303 6.5966 6.5966 6.5967 6.5967 6.9741 6.9741 6.9742 6.9742 7.2792 7.2792 7.2792 7.2792 12.2993 12.2993 12.2996 12.2996 13.4531 13.4531 13.4533 13.4533 13.8409 13.8409 13.8409 13.8409 k = 0.4762 0.3299 1.3069 ( 4940 PWs) bands (ev): -9.4201 -9.4201 -9.4201 -9.4201 -6.4627 -6.4627 -6.4627 -6.4627 -6.3591 -6.3591 -6.3590 -6.3590 -6.1642 -6.1642 -6.1641 -6.1641 -1.2150 -1.2150 -1.2147 -1.2147 -0.7993 -0.7993 -0.7993 -0.7993 0.4241 0.4241 0.4245 0.4245 0.8761 0.8761 0.8771 0.8771 2.0142 2.0142 2.0154 2.0154 2.5551 2.5551 2.5555 2.5555 2.8985 2.8985 2.8996 2.8996 3.8534 3.8534 3.8544 3.8544 4.7317 4.7317 4.7335 4.7335 6.5974 6.5974 6.5976 6.5976 6.9756 6.9756 6.9759 6.9759 7.2775 7.2775 7.2775 7.2775 12.3066 12.3066 12.3070 12.3070 13.4460 13.4460 13.4465 13.4465 13.8423 13.8423 13.8424 13.8424 k = 0.4643 0.3505 1.3069 ( 4930 PWs) bands (ev): -9.4201 -9.4201 -9.4201 -9.4201 -6.4621 -6.4621 -6.4621 -6.4621 -6.3611 -6.3611 -6.3611 -6.3611 -6.1630 -6.1630 -6.1629 -6.1629 -1.2119 -1.2119 -1.2113 -1.2113 -0.8010 -0.8010 -0.8010 -0.8010 0.4237 0.4237 0.4242 0.4242 0.8805 0.8805 0.8820 0.8820 1.9869 1.9869 1.9886 1.9886 2.5657 2.5657 2.5662 2.5662 2.9166 2.9166 2.9184 2.9184 3.8407 3.8407 3.8422 3.8422 4.7356 4.7356 4.7384 4.7384 6.5988 6.5988 6.5991 6.5991 6.9781 6.9781 6.9785 6.9785 7.2746 7.2746 7.2746 7.2746 12.3185 12.3185 12.3192 12.3192 13.4346 13.4346 13.4353 13.4353 13.8447 13.8447 13.8448 13.8448 k = 0.4524 0.3712 1.3069 ( 4942 PWs) bands (ev): -9.4200 -9.4200 -9.4200 -9.4200 -6.4613 -6.4613 -6.4613 -6.4613 -6.3638 -6.3638 -6.3638 -6.3638 -6.1614 -6.1614 -6.1613 -6.1613 -1.2076 -1.2076 -1.2069 -1.2069 -0.8032 -0.8032 -0.8032 -0.8032 0.4231 0.4231 0.4238 0.4238 0.8865 0.8865 0.8884 0.8884 1.9531 1.9531 1.9551 1.9551 2.5776 2.5776 2.5779 2.5779 2.9410 2.9410 2.9434 2.9434 3.8236 3.8236 3.8255 3.8255 4.7410 4.7410 4.7445 4.7445 6.6006 6.6006 6.6010 6.6010 6.9816 6.9816 6.9821 6.9821 7.2708 7.2708 7.2708 7.2708 12.3348 12.3348 12.3357 12.3357 13.4190 13.4190 13.4199 13.4199 13.8478 13.8478 13.8480 13.8480 k = 0.4405 0.3918 1.3069 ( 4938 PWs) bands (ev): -9.4199 -9.4199 -9.4199 -9.4199 -6.4602 -6.4602 -6.4602 -6.4602 -6.3671 -6.3671 -6.3670 -6.3670 -6.1596 -6.1596 -6.1594 -6.1594 -1.2024 -1.2024 -1.2016 -1.2016 -0.8057 -0.8057 -0.8057 -0.8057 0.4224 0.4224 0.4233 0.4233 0.8937 0.8937 0.8961 0.8961 1.9155 1.9155 1.9179 1.9179 2.5893 2.5893 2.5895 2.5895 2.9704 2.9704 2.9735 2.9735 3.8029 3.8029 3.8051 3.8051 4.7474 4.7474 4.7517 4.7517 6.6028 6.6028 6.6032 6.6032 6.9860 6.9860 6.9867 6.9867 7.2660 7.2660 7.2660 7.2660 12.3550 12.3550 12.3561 12.3561 13.3998 13.3998 13.4009 13.4009 13.8516 13.8516 13.8518 13.8518 k = 0.4286 0.4124 1.3069 ( 4922 PWs) bands (ev): -9.4198 -9.4198 -9.4198 -9.4198 -6.4590 -6.4590 -6.4590 -6.4590 -6.3708 -6.3708 -6.3707 -6.3707 -6.1576 -6.1576 -6.1573 -6.1573 -1.1966 -1.1966 -1.1956 -1.1956 -0.8084 -0.8084 -0.8084 -0.8084 0.4214 0.4214 0.4224 0.4224 0.9018 0.9018 0.9048 0.9048 1.8764 1.8764 1.8791 1.8791 2.6001 2.6001 2.6003 2.6003 3.0033 3.0033 3.0071 3.0071 3.7792 3.7792 3.7817 3.7817 4.7546 4.7546 4.7596 4.7596 6.6050 6.6050 6.6056 6.6056 6.9914 6.9914 6.9921 6.9921 7.2605 7.2605 7.2605 7.2605 12.3785 12.3785 12.3798 12.3798 13.3777 13.3777 13.3790 13.3790 13.8558 13.8558 13.8560 13.8560 k = 0.4167 0.4330 1.3069 ( 4922 PWs) bands (ev): -9.4197 -9.4197 -9.4197 -9.4197 -6.4577 -6.4577 -6.4576 -6.4576 -6.3746 -6.3746 -6.3746 -6.3746 -6.1555 -6.1555 -6.1552 -6.1552 -1.1904 -1.1904 -1.1892 -1.1892 -0.8110 -0.8110 -0.8110 -0.8110 0.4201 0.4201 0.4213 0.4213 0.9103 0.9103 0.9138 0.9138 1.8379 1.8379 1.8409 1.8409 2.6097 2.6097 2.6101 2.6101 3.0381 3.0381 3.0425 3.0425 3.7534 3.7534 3.7561 3.7561 4.7621 4.7621 4.7677 4.7677 6.6073 6.6073 6.6079 6.6079 6.9975 6.9975 6.9983 6.9983 7.2544 7.2544 7.2544 7.2544 12.4044 12.4044 12.4059 12.4059 13.3537 13.3537 13.3551 13.3551 13.8600 13.8600 13.8603 13.8603 k = 0.4048 0.4536 1.3069 ( 4916 PWs) bands (ev): -9.4196 -9.4196 -9.4196 -9.4196 -6.4563 -6.4563 -6.4562 -6.4562 -6.3786 -6.3786 -6.3785 -6.3785 -6.1534 -6.1534 -6.1531 -6.1531 -1.1840 -1.1840 -1.1828 -1.1828 -0.8134 -0.8134 -0.8133 -0.8133 0.4186 0.4186 0.4200 0.4200 0.9187 0.9187 0.9228 0.9228 1.8015 1.8015 1.8048 1.8048 2.6180 2.6180 2.6187 2.6187 3.0730 3.0730 3.0781 3.0781 3.7267 3.7267 3.7294 3.7294 4.7696 4.7696 4.7757 4.7757 6.6094 6.6094 6.6101 6.6101 7.0041 7.0041 7.0050 7.0050 7.2480 7.2480 7.2481 7.2481 12.4317 12.4317 12.4334 12.4334 13.3288 13.3288 13.3304 13.3304 13.8638 13.8638 13.8641 13.8641 k = 0.3929 0.4743 1.3069 ( 4916 PWs) bands (ev): -9.4195 -9.4195 -9.4195 -9.4195 -6.4549 -6.4549 -6.4548 -6.4548 -6.3823 -6.3823 -6.3822 -6.3822 -6.1515 -6.1515 -6.1512 -6.1512 -1.1780 -1.1780 -1.1766 -1.1766 -0.8153 -0.8153 -0.8152 -0.8152 0.4168 0.4168 0.4183 0.4183 0.9265 0.9265 0.9311 0.9311 1.7686 1.7686 1.7723 1.7723 2.6253 2.6253 2.6262 2.6262 3.1064 3.1064 3.1121 3.1121 3.7002 3.7002 3.7029 3.7029 4.7768 4.7768 4.7832 4.7832 6.6113 6.6113 6.6120 6.6120 7.0109 7.0109 7.0120 7.0120 7.2416 7.2416 7.2417 7.2417 12.4590 12.4590 12.4609 12.4609 13.3045 13.3045 13.3063 13.3063 13.8668 13.8668 13.8672 13.8672 k = 0.3810 0.4949 1.3069 ( 4928 PWs) bands (ev): -9.4195 -9.4195 -9.4194 -9.4194 -6.4536 -6.4536 -6.4535 -6.4535 -6.3857 -6.3857 -6.3856 -6.3856 -6.1498 -6.1498 -6.1495 -6.1495 -1.1726 -1.1726 -1.1711 -1.1711 -0.8166 -0.8166 -0.8165 -0.8165 0.4148 0.4148 0.4165 0.4165 0.9333 0.9333 0.9384 0.9384 1.7406 1.7406 1.7445 1.7445 2.6315 2.6315 2.6327 2.6327 3.1365 3.1365 3.1428 3.1428 3.6753 3.6753 3.6779 3.6779 4.7832 4.7832 4.7900 4.7900 6.6128 6.6128 6.6135 6.6135 7.0176 7.0176 7.0187 7.0187 7.2355 7.2355 7.2356 7.2356 12.4848 12.4848 12.4869 12.4869 13.2824 13.2824 13.2843 13.2843 13.8687 13.8687 13.8690 13.8690 k = 0.3690 0.5155 1.3069 ( 4932 PWs) bands (ev): -9.4194 -9.4194 -9.4193 -9.4193 -6.4524 -6.4524 -6.4524 -6.4524 -6.3886 -6.3886 -6.3885 -6.3885 -6.1483 -6.1483 -6.1480 -6.1480 -1.1681 -1.1681 -1.1665 -1.1665 -0.8173 -0.8173 -0.8172 -0.8172 0.4128 0.4128 0.4146 0.4146 0.9387 0.9387 0.9442 0.9442 1.7182 1.7182 1.7223 1.7223 2.6367 2.6367 2.6381 2.6381 3.1617 3.1617 3.1686 3.1686 3.6538 3.6538 3.6562 3.6562 4.7886 4.7886 4.7956 4.7956 6.6139 6.6139 6.6147 6.6147 7.0237 7.0237 7.0248 7.0248 7.2302 7.2302 7.2303 7.2303 12.5073 12.5073 12.5095 12.5095 13.2641 13.2641 13.2661 13.2661 13.8692 13.8692 13.8695 13.8695 k = 0.3571 0.5361 1.3069 ( 4930 PWs) bands (ev): -9.4193 -9.4193 -9.4193 -9.4193 -6.4516 -6.4516 -6.4516 -6.4516 -6.3909 -6.3909 -6.3907 -6.3907 -6.1473 -6.1473 -6.1469 -6.1469 -1.1647 -1.1647 -1.1631 -1.1631 -0.8175 -0.8175 -0.8174 -0.8174 0.4110 0.4110 0.4129 0.4129 0.9424 0.9424 0.9482 0.9482 1.7020 1.7020 1.7064 1.7064 2.6407 2.6407 2.6423 2.6423 3.1804 3.1804 3.1878 3.1878 3.6372 3.6372 3.6394 3.6394 4.7927 4.7927 4.8000 4.8000 6.6147 6.6147 6.6155 6.6155 7.0285 7.0285 7.0297 7.0297 7.2260 7.2260 7.2261 7.2261 12.5247 12.5247 12.5271 12.5271 13.2510 13.2510 13.2530 13.2530 13.8683 13.8683 13.8687 13.8687 k = 0.3452 0.5567 1.3069 ( 4926 PWs) bands (ev): -9.4193 -9.4193 -9.4192 -9.4192 -6.4511 -6.4511 -6.4511 -6.4511 -6.3922 -6.3922 -6.3921 -6.3921 -6.1466 -6.1466 -6.1462 -6.1462 -1.1626 -1.1626 -1.1610 -1.1610 -0.8173 -0.8173 -0.8172 -0.8172 0.4096 0.4096 0.4115 0.4115 0.9444 0.9444 0.9505 0.9505 1.6925 1.6925 1.6969 1.6969 2.6434 2.6434 2.6451 2.6451 3.1917 3.1917 3.1994 3.1994 3.6269 3.6269 3.6290 3.6290 4.7954 4.7954 4.8027 4.8027 6.6152 6.6152 6.6160 6.6160 7.0318 7.0318 7.0330 7.0330 7.2234 7.2234 7.2235 7.2235 12.5356 12.5356 12.5381 12.5381 13.2436 13.2436 13.2456 13.2456 13.8668 13.8668 13.8672 13.8672 k = 0.3333 0.5774 1.3069 ( 4926 PWs) bands (ev): -9.4193 -9.4193 -9.4192 -9.4192 -6.4509 -6.4509 -6.4509 -6.4509 -6.3927 -6.3927 -6.3926 -6.3926 -6.1463 -6.1463 -6.1460 -6.1460 -1.1620 -1.1620 -1.1603 -1.1603 -0.8171 -0.8171 -0.8170 -0.8170 0.4090 0.4090 0.4110 0.4110 0.9451 0.9451 0.9512 0.9512 1.6893 1.6893 1.6938 1.6938 2.6444 2.6444 2.6461 2.6461 3.1953 3.1953 3.2031 3.2031 3.6235 3.6235 3.6255 3.6255 4.7963 4.7963 4.8037 4.8037 6.6153 6.6153 6.6161 6.6161 7.0329 7.0329 7.0341 7.0341 7.2225 7.2225 7.2226 7.2226 12.5393 12.5393 12.5418 12.5418 13.2415 13.2415 13.2435 13.2435 13.8659 13.8659 13.8663 13.8663 k = 0.3333 0.5774 1.3069 ( 4926 PWs) bands (ev): -9.4193 -9.4193 -9.4192 -9.4192 -6.4509 -6.4509 -6.4509 -6.4509 -6.3927 -6.3927 -6.3926 -6.3926 -6.1463 -6.1463 -6.1460 -6.1460 -1.1620 -1.1620 -1.1603 -1.1603 -0.8171 -0.8171 -0.8170 -0.8170 0.4090 0.4090 0.4110 0.4110 0.9451 0.9451 0.9512 0.9512 1.6893 1.6893 1.6938 1.6938 2.6444 2.6444 2.6461 2.6461 3.1953 3.1953 3.2031 3.2031 3.6235 3.6235 3.6255 3.6255 4.7963 4.7963 4.8037 4.8037 6.6153 6.6153 6.6161 6.6161 7.0329 7.0329 7.0341 7.0341 7.2225 7.2225 7.2226 7.2226 12.5393 12.5393 12.5418 12.5418 13.2415 13.2415 13.2435 13.2435 13.8659 13.8659 13.8663 13.8663 k = 0.3214 0.5567 1.3069 ( 4922 PWs) bands (ev): -9.4193 -9.4193 -9.4192 -9.4192 -6.4511 -6.4511 -6.4510 -6.4510 -6.3922 -6.3922 -6.3921 -6.3921 -6.1466 -6.1466 -6.1463 -6.1463 -1.1626 -1.1626 -1.1610 -1.1610 -0.8174 -0.8174 -0.8173 -0.8173 0.4098 0.4098 0.4117 0.4117 0.9446 0.9446 0.9507 0.9507 1.6923 1.6923 1.6968 1.6968 2.6432 2.6432 2.6449 2.6449 3.1922 3.1922 3.1999 3.1999 3.6265 3.6265 3.6287 3.6287 4.7953 4.7953 4.8027 4.8027 6.6152 6.6152 6.6160 6.6160 7.0317 7.0317 7.0330 7.0330 7.2234 7.2234 7.2235 7.2235 12.5358 12.5358 12.5383 12.5383 13.2427 13.2427 13.2447 13.2447 13.8676 13.8676 13.8681 13.8681 k = 0.3095 0.5361 1.3069 ( 4922 PWs) bands (ev): -9.4193 -9.4193 -9.4193 -9.4193 -6.4514 -6.4514 -6.4514 -6.4514 -6.3909 -6.3909 -6.3908 -6.3908 -6.1473 -6.1473 -6.1470 -6.1470 -1.1645 -1.1645 -1.1629 -1.1629 -0.8188 -0.8188 -0.8187 -0.8187 0.4123 0.4123 0.4142 0.4142 0.9436 0.9436 0.9495 0.9495 1.7007 1.7007 1.7050 1.7050 2.6395 2.6395 2.6410 2.6410 3.1846 3.1846 3.1919 3.1919 3.6348 3.6348 3.6370 3.6370 4.7923 4.7923 4.7995 4.7995 6.6150 6.6150 6.6158 6.6158 7.0284 7.0284 7.0296 7.0296 7.2257 7.2257 7.2258 7.2258 12.5261 12.5261 12.5286 12.5286 13.2440 13.2440 13.2461 13.2461 13.8748 13.8748 13.8751 13.8751 k = 0.2976 0.5155 1.3069 ( 4922 PWs) bands (ev): -9.4194 -9.4194 -9.4194 -9.4194 -6.4518 -6.4518 -6.4518 -6.4518 -6.3889 -6.3889 -6.3888 -6.3888 -6.1486 -6.1486 -6.1483 -6.1483 -1.1675 -1.1675 -1.1659 -1.1659 -0.8218 -0.8218 -0.8217 -0.8217 0.4172 0.4172 0.4190 0.4190 0.9425 0.9425 0.9481 0.9481 1.7137 1.7137 1.7178 1.7178 2.6325 2.6325 2.6338 2.6338 3.1747 3.1747 3.1815 3.1815 3.6465 3.6465 3.6489 3.6489 4.7871 4.7871 4.7942 4.7942 6.6147 6.6147 6.6155 6.6155 7.0231 7.0231 7.0243 7.0243 7.2290 7.2290 7.2291 7.2291 12.5117 12.5117 12.5141 12.5141 13.2416 13.2416 13.2437 13.2437 13.8902 13.8902 13.8905 13.8905 k = 0.2857 0.4949 1.3069 ( 4922 PWs) bands (ev): -9.4195 -9.4195 -9.4195 -9.4195 -6.4521 -6.4521 -6.4521 -6.4521 -6.3862 -6.3862 -6.3861 -6.3861 -6.1504 -6.1504 -6.1501 -6.1501 -1.1714 -1.1714 -1.1699 -1.1699 -0.8270 -0.8270 -0.8268 -0.8268 0.4249 0.4249 0.4266 0.4266 0.9419 0.9419 0.9471 0.9471 1.7304 1.7304 1.7344 1.7344 2.6218 2.6218 2.6227 2.6227 3.1650 3.1650 3.1712 3.1712 3.6601 3.6601 3.6626 3.6626 4.7796 4.7796 4.7865 4.7865 6.6145 6.6145 6.6153 6.6153 7.0163 7.0163 7.0175 7.0175 7.2327 7.2327 7.2328 7.2328 12.4940 12.4940 12.4964 12.4964 13.2322 13.2322 13.2345 13.2345 13.9163 13.9163 13.9164 13.9164 k = 0.2738 0.4743 1.3069 ( 4914 PWs) bands (ev): -9.4197 -9.4197 -9.4197 -9.4197 -6.4523 -6.4523 -6.4522 -6.4522 -6.3830 -6.3830 -6.3829 -6.3829 -6.1527 -6.1527 -6.1524 -6.1524 -1.1760 -1.1760 -1.1745 -1.1745 -0.8347 -0.8347 -0.8345 -0.8345 0.4359 0.4359 0.4375 0.4375 0.9422 0.9422 0.9470 0.9470 1.7502 1.7502 1.7539 1.7539 2.6070 2.6070 2.6075 2.6075 3.1574 3.1574 3.1629 3.1629 3.6743 3.6743 3.6769 3.6769 4.7698 4.7698 4.7764 4.7764 6.6145 6.6145 6.6152 6.6152 7.0084 7.0084 7.0096 7.0096 7.2362 7.2362 7.2364 7.2364 12.4746 12.4746 12.4770 12.4770 13.2141 13.2141 13.2165 13.2165 13.9541 13.9541 13.9541 13.9541 k = 0.2619 0.4536 1.3069 ( 4918 PWs) bands (ev): -9.4199 -9.4199 -9.4199 -9.4199 -6.4520 -6.4520 -6.4520 -6.4520 -6.3794 -6.3794 -6.3793 -6.3793 -6.1555 -6.1555 -6.1552 -6.1552 -1.1812 -1.1812 -1.1797 -1.1797 -0.8453 -0.8453 -0.8451 -0.8451 0.4505 0.4505 0.4520 0.4520 0.9438 0.9438 0.9480 0.9480 1.7721 1.7721 1.7756 1.7756 2.5879 2.5879 2.5879 2.5879 3.1533 3.1533 3.1579 3.1579 3.6879 3.6879 3.6905 3.6905 4.7577 4.7577 4.7640 4.7640 6.6148 6.6148 6.6155 6.6155 6.9997 6.9997 7.0009 7.0009 7.2391 7.2391 7.2392 7.2392 12.4546 12.4546 12.4570 12.4570 13.1868 13.1868 13.1894 13.1894 14.0031 14.0031 14.0033 14.0033 k = 0.2500 0.4330 1.3069 ( 4914 PWs) bands (ev): -9.4202 -9.4202 -9.4201 -9.4201 -6.4514 -6.4514 -6.4514 -6.4514 -6.3756 -6.3756 -6.3755 -6.3755 -6.1589 -6.1589 -6.1586 -6.1586 -1.1866 -1.1866 -1.1853 -1.1853 -0.8589 -0.8589 -0.8587 -0.8587 0.4688 0.4688 0.4701 0.4701 0.9469 0.9469 0.9507 0.9507 1.7955 1.7955 1.7987 1.7987 2.5642 2.5642 2.5647 2.5647 3.1533 3.1533 3.1571 3.1571 3.7002 3.7002 3.7029 3.7029 4.7433 4.7433 4.7492 4.7492 6.6155 6.6155 6.6162 6.6162 6.9907 6.9907 6.9918 6.9918 7.2408 7.2408 7.2410 7.2410 12.4351 12.4351 12.4376 12.4376 13.1514 13.1514 13.1541 13.1541 14.0620 14.0620 14.0624 14.0624 k = 0.2381 0.4124 1.3069 ( 4918 PWs) bands (ev): -9.4205 -9.4205 -9.4204 -9.4204 -6.4503 -6.4503 -6.4502 -6.4502 -6.3715 -6.3715 -6.3714 -6.3714 -6.1628 -6.1628 -6.1625 -6.1625 -1.1923 -1.1923 -1.1910 -1.1910 -0.8755 -0.8755 -0.8752 -0.8752 0.4906 0.4906 0.4917 0.4917 0.9519 0.9519 0.9551 0.9551 1.8197 1.8197 1.8227 1.8227 2.5368 2.5368 2.5378 2.5378 3.1577 3.1577 3.1608 3.1608 3.7108 3.7108 3.7134 3.7134 4.7266 4.7266 4.7321 4.7321 6.6167 6.6167 6.6174 6.6174 6.9814 6.9814 6.9825 6.9825 7.2410 7.2410 7.2412 7.2412 12.4167 12.4167 12.4192 12.4192 13.1092 13.1092 13.1120 13.1120 14.1292 14.1292 14.1297 14.1297 k = 0.2262 0.3918 1.3069 ( 4922 PWs) bands (ev): -9.4208 -9.4208 -9.4208 -9.4208 -6.4486 -6.4486 -6.4486 -6.4486 -6.3673 -6.3673 -6.3672 -6.3672 -6.1672 -6.1672 -6.1669 -6.1669 -1.1980 -1.1980 -1.1968 -1.1968 -0.8948 -0.8948 -0.8945 -0.8945 0.5156 0.5156 0.5166 0.5166 0.9589 0.9589 0.9615 0.9615 1.8443 1.8443 1.8470 1.8470 2.5064 2.5064 2.5078 2.5078 3.1665 3.1665 3.1689 3.1689 3.7191 3.7191 3.7216 3.7216 4.7078 4.7078 4.7129 4.7129 6.6186 6.6186 6.6193 6.6193 6.9722 6.9722 6.9733 6.9733 7.2395 7.2395 7.2397 7.2397 12.3999 12.3999 12.4025 12.4025 13.0618 13.0618 13.0647 13.0647 14.2029 14.2029 14.2034 14.2034 k = 0.2143 0.3712 1.3069 ( 4918 PWs) bands (ev): -9.4212 -9.4212 -9.4211 -9.4211 -6.4463 -6.4463 -6.4463 -6.4463 -6.3630 -6.3630 -6.3629 -6.3629 -6.1721 -6.1721 -6.1718 -6.1718 -1.2037 -1.2037 -1.2025 -1.2025 -0.9165 -0.9165 -0.9161 -0.9161 0.5433 0.5433 0.5441 0.5441 0.9681 0.9681 0.9702 0.9702 1.8687 1.8687 1.8712 1.8712 2.4737 2.4737 2.4754 2.4754 3.1792 3.1792 3.1810 3.1810 3.7250 3.7250 3.7274 3.7274 4.6870 4.6870 4.6916 4.6916 6.6213 6.6213 6.6220 6.6220 6.9633 6.9633 6.9644 6.9644 7.2360 7.2360 7.2363 7.2363 12.3850 12.3850 12.3876 12.3876 13.0106 13.0106 13.0135 13.0135 14.2814 14.2814 14.2820 14.2820 k = 0.2024 0.3505 1.3069 ( 4918 PWs) bands (ev): -9.4216 -9.4216 -9.4215 -9.4215 -6.4435 -6.4435 -6.4435 -6.4435 -6.3587 -6.3587 -6.3586 -6.3586 -6.1774 -6.1774 -6.1772 -6.1772 -1.2093 -1.2093 -1.2081 -1.2081 -0.9403 -0.9403 -0.9398 -0.9398 0.5730 0.5730 0.5737 0.5737 0.9799 0.9799 0.9815 0.9815 1.8926 1.8926 1.8948 1.8948 2.4395 2.4395 2.4415 2.4415 3.1956 3.1956 3.1969 3.1969 3.7282 3.7282 3.7304 3.7304 4.6644 4.6644 4.6685 4.6685 6.6249 6.6249 6.6256 6.6256 6.9548 6.9548 6.9558 6.9558 7.2305 7.2305 7.2308 7.2308 12.3720 12.3720 12.3746 12.3746 12.9568 12.9568 12.9598 12.9598 14.3636 14.3636 14.3643 14.3643 k = 0.1905 0.3299 1.3069 ( 4914 PWs) bands (ev): -9.4220 -9.4220 -9.4220 -9.4220 -6.4400 -6.4400 -6.4400 -6.4400 -6.3544 -6.3544 -6.3543 -6.3543 -6.1833 -6.1833 -6.1831 -6.1831 -1.2146 -1.2146 -1.2135 -1.2135 -0.9656 -0.9656 -0.9651 -0.9651 0.6039 0.6039 0.6043 0.6043 0.9945 0.9945 0.9956 0.9956 1.9156 1.9156 1.9177 1.9177 2.4045 2.4045 2.4067 2.4067 3.2150 3.2150 3.2159 3.2159 3.7286 3.7286 3.7307 3.7307 4.6403 4.6403 4.6439 4.6439 6.6296 6.6296 6.6302 6.6302 6.9467 6.9467 6.9477 6.9477 7.2229 7.2229 7.2232 7.2232 12.3611 12.3611 12.3637 12.3637 12.9016 12.9016 12.9045 12.9045 14.4485 14.4485 14.4492 14.4492 k = 0.1786 0.3093 1.3069 ( 4910 PWs) bands (ev): -9.4224 -9.4224 -9.4224 -9.4224 -6.4359 -6.4359 -6.4359 -6.4359 -6.3501 -6.3501 -6.3501 -6.3501 -6.1895 -6.1895 -6.1893 -6.1893 -1.2197 -1.2197 -1.2187 -1.2187 -0.9919 -0.9919 -0.9914 -0.9914 0.6349 0.6349 0.6351 0.6351 1.0122 1.0122 1.0129 1.0129 1.9375 1.9375 1.9394 1.9394 2.3693 2.3693 2.3717 2.3717 3.2371 3.2371 3.2375 3.2375 3.7262 3.7262 3.7281 3.7281 4.6147 4.6147 4.6179 4.6179 6.6354 6.6354 6.6360 6.6360 6.9391 6.9391 6.9401 6.9401 7.2131 7.2131 7.2134 7.2134 12.3520 12.3520 12.3546 12.3546 12.8458 12.8458 12.8487 12.8487 14.5351 14.5351 14.5358 14.5358 k = 0.1667 0.2887 1.3069 ( 4914 PWs) bands (ev): -9.4229 -9.4229 -9.4229 -9.4229 -6.4312 -6.4312 -6.4312 -6.4312 -6.3460 -6.3460 -6.3459 -6.3459 -6.1962 -6.1962 -6.1960 -6.1960 -1.2245 -1.2245 -1.2235 -1.2235 -1.0188 -1.0188 -1.0182 -1.0182 0.6652 0.6652 0.6652 0.6652 1.0333 1.0333 1.0335 1.0335 1.9580 1.9580 1.9598 1.9598 2.3346 2.3346 2.3371 2.3371 3.2612 3.2612 3.2614 3.2614 3.7210 3.7210 3.7227 3.7227 4.5881 4.5881 4.5908 4.5908 6.6425 6.6425 6.6431 6.6431 6.9320 6.9320 6.9330 6.9330 7.2012 7.2012 7.2015 7.2015 12.3448 12.3448 12.3473 12.3473 12.7902 12.7902 12.7930 12.7930 14.6228 14.6228 14.6237 14.6237 k = 0.1548 0.2681 1.3069 ( 4912 PWs) bands (ev): -9.4234 -9.4234 -9.4234 -9.4234 -6.4260 -6.4260 -6.4260 -6.4260 -6.3420 -6.3420 -6.3419 -6.3419 -6.2033 -6.2033 -6.2031 -6.2031 -1.2289 -1.2289 -1.2280 -1.2280 -1.0457 -1.0457 -1.0452 -1.0452 0.6937 0.6937 0.6938 0.6938 1.0577 1.0577 1.0578 1.0578 1.9770 1.9770 1.9786 1.9786 2.3008 2.3008 2.3033 2.3033 3.2870 3.2870 3.2870 3.2870 3.7132 3.7132 3.7148 3.7148 4.5606 4.5606 4.5629 4.5629 6.6510 6.6510 6.6515 6.6515 6.9255 6.9255 6.9264 6.9264 7.1873 7.1873 7.1877 7.1877 12.3391 12.3391 12.3415 12.3415 12.7355 12.7355 12.7382 12.7382 14.7112 14.7112 14.7121 14.7121 k = 0.1429 0.2474 1.3069 ( 4908 PWs) bands (ev): -9.4238 -9.4238 -9.4238 -9.4238 -6.4202 -6.4202 -6.4202 -6.4202 -6.3381 -6.3381 -6.3381 -6.3381 -6.2107 -6.2107 -6.2106 -6.2106 -1.2330 -1.2330 -1.2322 -1.2322 -1.0724 -1.0724 -1.0718 -1.0718 0.7198 0.7198 0.7200 0.7200 1.0854 1.0854 1.0857 1.0857 1.9943 1.9943 1.9959 1.9959 2.2684 2.2684 2.2708 2.2708 3.3138 3.3138 3.3140 3.3140 3.7029 3.7029 3.7043 3.7043 4.5328 4.5328 4.5346 4.5346 6.6610 6.6610 6.6615 6.6615 6.9195 6.9195 6.9204 6.9204 7.1716 7.1716 7.1719 7.1719 12.3348 12.3348 12.3372 12.3372 12.6823 12.6823 12.6849 12.6849 14.7997 14.7997 14.8007 14.8007 k = 0.1310 0.2268 1.3069 ( 4908 PWs) bands (ev): -9.4243 -9.4243 -9.4243 -9.4243 -6.4138 -6.4138 -6.4138 -6.4138 -6.3345 -6.3345 -6.3345 -6.3345 -6.2185 -6.2185 -6.2184 -6.2184 -1.2367 -1.2367 -1.2360 -1.2360 -1.0982 -1.0982 -1.0977 -1.0977 0.7432 0.7432 0.7434 0.7434 1.1161 1.1161 1.1166 1.1166 2.0099 2.0099 2.0114 2.0114 2.2377 2.2377 2.2401 2.2401 3.3415 3.3415 3.3418 3.3418 3.6904 3.6904 3.6916 3.6916 4.5048 4.5048 4.5063 4.5063 6.6724 6.6724 6.6729 6.6729 6.9141 6.9141 6.9150 6.9150 7.1541 7.1541 7.1544 7.1544 12.3317 12.3317 12.3340 12.3340 12.6313 12.6313 12.6337 12.6337 14.8878 14.8878 14.8889 14.8889 k = 0.1190 0.2062 1.3069 ( 4908 PWs) bands (ev): -9.4248 -9.4248 -9.4248 -9.4248 -6.4070 -6.4070 -6.4070 -6.4070 -6.3311 -6.3311 -6.3310 -6.3310 -6.2266 -6.2266 -6.2265 -6.2265 -1.2401 -1.2401 -1.2394 -1.2394 -1.1230 -1.1230 -1.1225 -1.1225 0.7637 0.7637 0.7639 0.7639 1.1493 1.1493 1.1498 1.1498 2.0237 2.0237 2.0251 2.0251 2.2092 2.2092 2.2114 2.2114 3.3694 3.3694 3.3699 3.3699 3.6761 3.6761 3.6771 3.6771 4.4770 4.4770 4.4782 4.4782 6.6854 6.6854 6.6859 6.6859 6.9092 6.9092 6.9101 6.9101 7.1349 7.1349 7.1352 7.1352 12.3296 12.3296 12.3317 12.3317 12.5829 12.5829 12.5851 12.5851 14.9752 14.9752 14.9764 14.9764 k = 0.1071 0.1856 1.3069 ( 4906 PWs) bands (ev): -9.4252 -9.4252 -9.4252 -9.4252 -6.3997 -6.3997 -6.3997 -6.3997 -6.3279 -6.3279 -6.3279 -6.3279 -6.2350 -6.2350 -6.2349 -6.2349 -1.2431 -1.2431 -1.2424 -1.2424 -1.1463 -1.1463 -1.1458 -1.1458 0.7813 0.7813 0.7816 0.7816 1.1839 1.1839 1.1845 1.1845 2.0357 2.0357 2.0370 2.0370 2.1830 2.1830 2.1850 2.1850 3.3973 3.3973 3.3977 3.3977 3.6603 3.6603 3.6612 3.6612 4.4499 4.4499 4.4507 4.4507 6.7000 6.7000 6.7004 6.7004 6.9049 6.9049 6.9057 6.9057 7.1142 7.1142 7.1146 7.1146 12.3282 12.3282 12.3302 12.3302 12.5376 12.5376 12.5397 12.5397 15.0612 15.0612 15.0625 15.0625 k = 0.0952 0.1650 1.3069 ( 4918 PWs) bands (ev): -9.4256 -9.4256 -9.4256 -9.4256 -6.3919 -6.3919 -6.3919 -6.3919 -6.3250 -6.3250 -6.3250 -6.3250 -6.2437 -6.2437 -6.2436 -6.2436 -1.2457 -1.2457 -1.2451 -1.2451 -1.1679 -1.1679 -1.1674 -1.1674 0.7963 0.7963 0.7965 0.7965 1.2190 1.2190 1.2195 1.2195 2.0459 2.0459 2.0470 2.0470 2.1594 2.1594 2.1612 2.1612 3.4244 3.4244 3.4249 3.4249 3.6437 3.6437 3.6445 3.6445 4.4237 4.4237 4.4243 4.4243 6.7161 6.7161 6.7165 6.7165 6.9011 6.9011 6.9018 6.9018 7.0923 7.0923 7.0926 7.0926 12.3275 12.3275 12.3293 12.3293 12.4959 12.4959 12.4978 12.4978 15.1451 15.1451 15.1466 15.1466 k = 0.0833 0.1443 1.3069 ( 4924 PWs) bands (ev): -9.4260 -9.4260 -9.4260 -9.4260 -6.3838 -6.3838 -6.3838 -6.3838 -6.3224 -6.3224 -6.3224 -6.3224 -6.2526 -6.2526 -6.2525 -6.2525 -1.2480 -1.2480 -1.2475 -1.2475 -1.1875 -1.1875 -1.1871 -1.1871 0.8089 0.8089 0.8091 0.8091 1.2533 1.2533 1.2537 1.2537 2.0542 2.0542 2.0553 2.0553 2.1387 2.1387 2.1403 2.1403 3.4505 3.4505 3.4509 3.4509 3.6267 3.6267 3.6274 3.6274 4.3989 4.3989 4.3993 4.3993 6.7338 6.7338 6.7341 6.7341 6.8978 6.8978 6.8984 6.8984 7.0692 7.0692 7.0694 7.0694 12.3272 12.3272 12.3288 12.3288 12.4581 12.4581 12.4598 12.4598 15.2262 15.2262 15.2278 15.2278 k = 0.0714 0.1237 1.3069 ( 4924 PWs) bands (ev): -9.4264 -9.4264 -9.4264 -9.4264 -6.3754 -6.3754 -6.3754 -6.3754 -6.3201 -6.3201 -6.3201 -6.3201 -6.2617 -6.2617 -6.2616 -6.2616 -1.2499 -1.2499 -1.2495 -1.2495 -1.2049 -1.2049 -1.2045 -1.2045 0.8194 0.8194 0.8195 0.8195 1.2857 1.2857 1.2860 1.2860 2.0608 2.0608 2.0618 2.0618 2.1209 2.1209 2.1223 2.1223 3.4748 3.4748 3.4752 3.4752 3.6102 3.6102 3.6107 3.6107 4.3759 4.3759 4.3762 4.3762 6.7530 6.7530 6.7532 6.7532 6.8950 6.8950 6.8955 6.8955 7.0452 7.0452 7.0454 7.0454 12.3272 12.3272 12.3287 12.3287 12.4247 12.4247 12.4262 12.4262 15.3032 15.3032 15.3049 15.3049 k = 0.0595 0.1031 1.3069 ( 4932 PWs) bands (ev): -9.4267 -9.4267 -9.4267 -9.4267 -6.3666 -6.3666 -6.3666 -6.3666 -6.3182 -6.3182 -6.3181 -6.3181 -6.2709 -6.2709 -6.2709 -6.2709 -1.2515 -1.2515 -1.2512 -1.2512 -1.2199 -1.2199 -1.2196 -1.2196 0.8279 0.8279 0.8280 0.8280 1.3152 1.3152 1.3154 1.3154 2.0659 2.0659 2.0667 2.0667 2.1062 2.1062 2.1073 2.1073 3.4968 3.4968 3.4972 3.4972 3.5946 3.5946 3.5950 3.5950 4.3553 4.3553 4.3554 4.3554 6.7734 6.7734 6.7737 6.7737 6.8926 6.8926 6.8930 6.8930 7.0204 7.0204 7.0206 7.0206 12.3274 12.3274 12.3287 12.3287 12.3959 12.3959 12.3972 12.3972 15.3748 15.3748 15.3764 15.3764 k = 0.0476 0.0825 1.3069 ( 4920 PWs) bands (ev): -9.4269 -9.4269 -9.4269 -9.4269 -6.3577 -6.3577 -6.3577 -6.3577 -6.3165 -6.3165 -6.3165 -6.3165 -6.2803 -6.2803 -6.2803 -6.2803 -1.2528 -1.2528 -1.2525 -1.2525 -1.2324 -1.2324 -1.2321 -1.2321 0.8347 0.8347 0.8348 0.8348 1.3408 1.3408 1.3409 1.3409 2.0695 2.0695 2.0702 2.0702 2.0945 2.0945 2.0953 2.0953 3.5159 3.5159 3.5163 3.5163 3.5808 3.5808 3.5811 3.5811 4.3375 4.3375 4.3375 4.3375 6.7952 6.7952 6.7954 6.7954 6.8907 6.8907 6.8911 6.8911 6.9951 6.9951 6.9952 6.9952 12.3278 12.3278 12.3287 12.3287 12.3721 12.3721 12.3730 12.3730 15.4390 15.4390 15.4406 15.4406 k = 0.0357 0.0619 1.3069 ( 4920 PWs) bands (ev): -9.4271 -9.4271 -9.4271 -9.4271 -6.3486 -6.3486 -6.3486 -6.3486 -6.3153 -6.3153 -6.3152 -6.3152 -6.2897 -6.2897 -6.2897 -6.2897 -1.2538 -1.2538 -1.2536 -1.2536 -1.2422 -1.2422 -1.2420 -1.2420 0.8399 0.8399 0.8399 0.8399 1.3616 1.3616 1.3616 1.3616 2.0719 2.0719 2.0725 2.0725 2.0857 2.0857 2.0863 2.0863 3.5316 3.5316 3.5318 3.5318 3.5693 3.5693 3.5696 3.5696 4.3229 4.3229 4.3229 4.3229 6.8180 6.8180 6.8182 6.8182 6.8893 6.8893 6.8895 6.8895 6.9694 6.9694 6.9695 6.9695 12.3281 12.3281 12.3288 12.3288 12.3533 12.3533 12.3540 12.3540 15.4935 15.4935 15.4949 15.4949 k = 0.0238 0.0412 1.3069 ( 4916 PWs) bands (ev): -9.4273 -9.4273 -9.4273 -9.4273 -6.3395 -6.3395 -6.3394 -6.3394 -6.3143 -6.3143 -6.3143 -6.3143 -6.2990 -6.2990 -6.2990 -6.2990 -1.2545 -1.2545 -1.2543 -1.2543 -1.2493 -1.2493 -1.2492 -1.2492 0.8435 0.8435 0.8435 0.8435 1.3769 1.3769 1.3770 1.3770 2.0733 2.0733 2.0737 2.0737 2.0799 2.0799 2.0802 2.0802 3.5430 3.5430 3.5431 3.5431 3.5609 3.5609 3.5611 3.5611 4.3121 4.3121 4.3121 4.3121 6.8418 6.8418 6.8419 6.8419 6.8882 6.8882 6.8884 6.8884 6.9436 6.9436 6.9437 6.9437 12.3283 12.3283 12.3288 12.3288 12.3399 12.3399 12.3404 12.3404 15.5353 15.5353 15.5363 15.5363 k = 0.0119 0.0206 1.3069 ( 4924 PWs) bands (ev): -9.4274 -9.4274 -9.4274 -9.4274 -6.3307 -6.3307 -6.3307 -6.3307 -6.3138 -6.3138 -6.3138 -6.3138 -6.3079 -6.3079 -6.3079 -6.3079 -1.2549 -1.2549 -1.2548 -1.2548 -1.2535 -1.2535 -1.2535 -1.2535 0.8457 0.8457 0.8457 0.8457 1.3864 1.3864 1.3864 1.3864 2.0737 2.0737 2.0737 2.0737 2.0769 2.0769 2.0770 2.0770 3.5492 3.5492 3.5492 3.5492 3.5566 3.5566 3.5567 3.5567 4.3054 4.3054 4.3054 4.3054 6.8662 6.8662 6.8663 6.8663 6.8877 6.8877 6.8877 6.8877 6.9179 6.9179 6.9180 6.9180 12.3282 12.3282 12.3284 12.3284 12.3322 12.3322 12.3324 12.3324 15.5608 15.5608 15.5611 15.5611 k = 0.0000 0.0000 1.3069 ( 4932 PWs) bands (ev): -9.4274 -9.4274 -9.4274 -9.4274 -6.3254 -6.3254 -6.3254 -6.3254 -6.3137 -6.3137 -6.3137 -6.3137 -6.3131 -6.3131 -6.3131 -6.3131 -1.2552 -1.2552 -1.2552 -1.2552 -1.2548 -1.2548 -1.2548 -1.2548 0.8464 0.8464 0.8464 0.8464 1.3895 1.3895 1.3895 1.3895 2.0734 2.0734 2.0734 2.0734 2.0763 2.0763 2.0763 2.0763 3.5502 3.5502 3.5502 3.5502 3.5563 3.5563 3.5563 3.5563 4.3032 4.3032 4.3032 4.3032 6.8869 6.8869 6.8869 6.8869 6.8878 6.8878 6.8878 6.8878 6.8965 6.8965 6.8965 6.8965 12.3275 12.3275 12.3275 12.3275 12.3304 12.3304 12.3304 12.3304 15.5684 15.5684 15.5684 15.5685 k = 0.5000 0.2887 1.3069 ( 4940 PWs) bands (ev): -9.4202 -9.4202 -9.4202 -9.4202 -6.4632 -6.4632 -6.4632 -6.4632 -6.3573 -6.3573 -6.3573 -6.3573 -6.1652 -6.1652 -6.1652 -6.1652 -1.2175 -1.2175 -1.2175 -1.2175 -0.7979 -0.7979 -0.7979 -0.7979 0.4245 0.4245 0.4245 0.4245 0.8727 0.8727 0.8727 0.8727 2.0388 2.0388 2.0388 2.0388 2.5449 2.5449 2.5449 2.5449 2.8838 2.8838 2.8838 2.8838 3.8642 3.8642 3.8642 3.8642 4.7289 4.7289 4.7289 4.7289 6.5963 6.5963 6.5963 6.5963 6.9737 6.9737 6.9737 6.9737 7.2798 7.2798 7.2798 7.2798 12.2970 12.2970 12.2970 12.2970 13.4555 13.4555 13.4555 13.4555 13.8404 13.8404 13.8404 13.8404 k = 0.5000 0.2887 1.2827 ( 4942 PWs) bands (ev): -9.4253 -9.4253 -9.4172 -9.4172 -6.4835 -6.4835 -6.4598 -6.4598 -6.3573 -6.3573 -6.3498 -6.3498 -6.1764 -6.1764 -6.1504 -6.1504 -1.2449 -1.2449 -1.1868 -1.1868 -0.8262 -0.8262 -0.7685 -0.7685 0.4168 0.4168 0.4362 0.4362 0.8700 0.8700 0.8775 0.8775 2.0302 2.0302 2.0484 2.0484 2.5363 2.5363 2.5563 2.5563 2.8696 2.8696 2.9000 2.9000 3.8559 3.8559 3.8742 3.8742 4.7096 4.7096 4.7476 4.7476 6.5729 6.5729 6.6164 6.6164 6.9506 6.9506 6.9950 6.9950 7.2763 7.2763 7.2868 7.2868 12.2687 12.2687 12.3289 12.3289 13.4047 13.4047 13.5020 13.5020 13.8430 13.8430 13.8458 13.8458 k = 0.5000 0.2887 1.2585 ( 4938 PWs) bands (ev): -9.4327 -9.4327 -9.4166 -9.4166 -6.5157 -6.5157 -6.4713 -6.4713 -6.3553 -6.3553 -6.3373 -6.3373 -6.1804 -6.1804 -6.1348 -6.1348 -1.2689 -1.2689 -1.1531 -1.1531 -0.8531 -0.8531 -0.7383 -0.7383 0.4134 0.4134 0.4517 0.4517 0.8696 0.8696 0.8840 0.8840 2.0230 2.0230 2.0590 2.0590 2.5309 2.5309 2.5702 2.5702 2.8571 2.8571 2.9184 2.9184 3.8493 3.8493 3.8860 3.8860 4.6898 4.6898 4.7655 4.7655 6.5467 6.5467 6.6326 6.6326 6.9262 6.9262 7.0141 7.0141 7.2774 7.2774 7.2966 7.2966 12.2441 12.2441 12.3646 12.3646 13.3519 13.3519 13.5413 13.5413 13.8551 13.8551 13.8584 13.8584 k = 0.5000 0.2887 1.2343 ( 4940 PWs) bands (ev): -9.4423 -9.4423 -9.4182 -9.4182 -6.5549 -6.5549 -6.4918 -6.4918 -6.3598 -6.3598 -6.3230 -6.3230 -6.1746 -6.1746 -6.1197 -6.1197 -1.2892 -1.2892 -1.1172 -1.1172 -0.8780 -0.8780 -0.7075 -0.7075 0.4144 0.4144 0.4704 0.4704 0.8720 0.8720 0.8919 0.8919 2.0175 2.0175 2.0701 2.0701 2.5286 2.5286 2.5863 2.5863 2.8463 2.8463 2.9389 2.9389 3.8444 3.8444 3.8994 3.8994 4.6698 4.6698 4.7824 4.7824 6.5184 6.5184 6.6442 6.6442 6.9012 6.9012 7.0306 7.0306 7.2834 7.2834 7.3081 7.3081 12.2231 12.2231 12.4039 12.4039 13.2988 13.2988 13.5707 13.5707 13.8710 13.8710 13.8849 13.8849 k = 0.5000 0.2887 1.2101 ( 4934 PWs) bands (ev): -9.4541 -9.4541 -9.4219 -9.4219 -6.5984 -6.5984 -6.5175 -6.5175 -6.3733 -6.3733 -6.3085 -6.3085 -6.1600 -6.1600 -6.1063 -6.1063 -1.3058 -1.3058 -1.0803 -1.0803 -0.8997 -0.8997 -0.6764 -0.6764 0.4198 0.4198 0.4918 0.4918 0.8780 0.8780 0.9010 0.9010 2.0142 2.0142 2.0818 2.0818 2.5295 2.5295 2.6043 2.6043 2.8374 2.8374 2.9619 2.9619 3.8412 3.8412 3.9145 3.9145 4.6498 4.6498 4.7981 4.7981 6.4884 6.4884 6.6508 6.6508 6.8759 6.8759 7.0447 7.0447 7.2947 7.2947 7.3208 7.3208 12.2059 12.2059 12.4470 12.4470 13.2463 13.2463 13.5899 13.5899 13.8894 13.8894 13.9261 13.9261 k = 0.5000 0.2887 1.1859 ( 4920 PWs) bands (ev): -9.4680 -9.4680 -9.4279 -9.4279 -6.6449 -6.6449 -6.5470 -6.5470 -6.3938 -6.3938 -6.2947 -6.2947 -6.1401 -6.1401 -6.0951 -6.0951 -1.3187 -1.3187 -1.0460 -1.0460 -0.9149 -0.9149 -0.6451 -0.6451 0.4298 0.4298 0.5154 0.5154 0.8882 0.8882 0.9112 0.9112 2.0136 2.0136 2.0941 2.0941 2.5335 2.5335 2.6240 2.6240 2.8304 2.8304 2.9872 2.9872 3.8396 3.8396 3.9311 3.9311 4.6301 4.6301 4.8124 4.8124 6.4573 6.4573 6.6520 6.6520 6.8508 6.8508 7.0571 7.0571 7.3108 7.3108 7.3342 7.3342 12.1922 12.1922 12.4937 12.4937 13.1952 13.1952 13.6008 13.6008 13.9104 13.9104 13.9795 13.9795 k = 0.5000 0.2887 1.1617 ( 4928 PWs) bands (ev): -9.4839 -9.4839 -9.4359 -9.4359 -6.6935 -6.6935 -6.5798 -6.5798 -6.4186 -6.4186 -6.2819 -6.2819 -6.1179 -6.1179 -6.0864 -6.0864 -1.3281 -1.3281 -1.0230 -1.0230 -0.9151 -0.9151 -0.6139 -0.6139 0.4441 0.4441 0.5402 0.5402 0.9034 0.9034 0.9224 0.9224 2.0160 2.0160 2.1069 2.1069 2.5401 2.5401 2.6452 2.6452 2.8256 2.8256 3.0149 3.0149 3.8394 3.8394 3.9490 3.9490 4.6110 4.6110 4.8253 4.8253 6.4253 6.4253 6.6478 6.6478 6.8261 6.8261 7.0683 7.0683 7.3307 7.3307 7.3477 7.3477 12.1822 12.1822 12.5441 12.5441 13.1458 13.1458 13.6064 13.6064 13.9338 13.9338 14.0419 14.0419 k = 0.5000 0.2887 1.1375 ( 4928 PWs) bands (ev): -9.5017 -9.5017 -9.4460 -9.4460 -6.7438 -6.7438 -6.6155 -6.6155 -6.4457 -6.4457 -6.2703 -6.2703 -6.0956 -6.0956 -6.0803 -6.0803 -1.3340 -1.3340 -1.0205 -1.0205 -0.8914 -0.8914 -0.5830 -0.5830 0.4628 0.4628 0.5658 0.5658 0.9244 0.9244 0.9345 0.9345 2.0218 2.0218 2.1205 2.1205 2.5486 2.5486 2.6679 2.6679 2.8238 2.8238 3.0448 3.0448 3.8406 3.8406 3.9683 3.9683 4.5926 4.5926 4.8365 4.8365 6.3928 6.3928 6.6384 6.6384 6.8021 6.8021 7.0791 7.0791 7.3536 7.3536 7.3611 7.3611 12.1759 12.1759 12.5982 12.5982 13.0986 13.0986 13.6092 13.6092 13.9594 13.9594 14.1110 14.1110 k = 0.5000 0.2887 1.1133 ( 4928 PWs) bands (ev): -9.5215 -9.5215 -9.4581 -9.4581 -6.7954 -6.7954 -6.6538 -6.6538 -6.4742 -6.4742 -6.2600 -6.2600 -6.0785 -6.0785 -6.0728 -6.0728 -1.3366 -1.3366 -1.0319 -1.0319 -0.8510 -0.8510 -0.5526 -0.5526 0.4857 0.4857 0.5916 0.5916 0.9463 0.9463 0.9530 0.9530 2.0317 2.0317 2.1349 2.1349 2.5581 2.5581 2.6921 2.6921 2.8258 2.8258 3.0767 3.0767 3.8432 3.8432 3.9887 3.9887 4.5754 4.5754 4.8460 4.8460 6.3601 6.3601 6.6242 6.6242 6.7790 6.7790 7.0896 7.0896 7.3739 7.3739 7.3789 7.3789 12.1733 12.1733 12.6560 12.6560 13.0536 13.0536 13.6110 13.6110 13.9872 13.9872 14.1849 14.1849 k = 0.5000 0.2887 1.0891 ( 4932 PWs) bands (ev): -9.5429 -9.5429 -9.4720 -9.4720 -6.8480 -6.8480 -6.6947 -6.6947 -6.5033 -6.5033 -6.2512 -6.2512 -6.0776 -6.0776 -6.0536 -6.0536 -1.3362 -1.3362 -1.0484 -1.0484 -0.8029 -0.8029 -0.5230 -0.5230 0.5127 0.5127 0.6172 0.6172 0.9604 0.9604 0.9871 0.9871 2.0459 2.0459 2.1503 2.1503 2.5672 2.5672 2.7179 2.7179 2.8326 2.8326 3.1103 3.1103 3.8471 3.8471 4.0100 4.0100 4.5595 4.5595 4.8536 4.8536 6.3275 6.3275 6.6057 6.6057 6.7569 6.7569 7.1002 7.1002 7.3864 7.3864 7.4051 7.4051 12.1742 12.1742 12.7174 12.7174 13.0112 13.0112 13.6128 13.6128 14.0172 14.0172 14.2624 14.2624 k = 0.5000 0.2887 1.0649 ( 4924 PWs) bands (ev): -9.5661 -9.5661 -9.4877 -9.4877 -6.9014 -6.9014 -6.7377 -6.7377 -6.5327 -6.5327 -6.2437 -6.2437 -6.0803 -6.0803 -6.0357 -6.0357 -1.3330 -1.3330 -1.0667 -1.0667 -0.7511 -0.7511 -0.4943 -0.4943 0.5436 0.5436 0.6428 0.6428 0.9750 0.9750 1.0287 1.0287 2.0649 2.0649 2.1669 2.1669 2.5748 2.5748 2.7453 2.7453 2.8456 2.8456 3.1452 3.1452 3.8521 3.8521 4.0322 4.0322 4.5455 4.5455 4.8595 4.8595 6.2952 6.2952 6.5836 6.5836 6.7359 6.7359 7.1105 7.1105 7.3983 7.3983 7.4321 7.4321 12.1788 12.1788 12.7824 12.7824 12.9715 12.9715 13.6154 13.6154 14.0494 14.0494 14.3427 14.3427 k = 0.5000 0.2887 1.0407 ( 4924 PWs) bands (ev): -9.5907 -9.5907 -9.5051 -9.5051 -6.9553 -6.9553 -6.7826 -6.7826 -6.5622 -6.5622 -6.2377 -6.2377 -6.0858 -6.0858 -6.0200 -6.0200 -1.3273 -1.3273 -1.0857 -1.0857 -0.6972 -0.6972 -0.4668 -0.4668 0.5782 0.5782 0.6689 0.6689 0.9904 0.9904 1.0772 1.0772 2.0889 2.0889 2.1848 2.1848 2.5797 2.5797 2.7746 2.7746 2.8654 2.8654 3.1809 3.1809 3.8583 3.8583 4.0550 4.0550 4.5335 4.5335 4.8634 4.8634 6.2634 6.2634 6.5584 6.5584 6.7161 6.7161 7.1206 7.1206 7.4093 7.4093 7.4593 7.4593 12.1871 12.1871 12.8509 12.8509 12.9346 12.9346 13.6194 13.6194 14.0838 14.0838 14.4252 14.4252 k = 0.5000 0.2887 1.0165 ( 4936 PWs) bands (ev): -9.6168 -9.6168 -9.5240 -9.5240 -7.0095 -7.0095 -6.8292 -6.8292 -6.5916 -6.5916 -6.2332 -6.2332 -6.0941 -6.0941 -6.0066 -6.0066 -1.3195 -1.3195 -1.1050 -1.1050 -0.6422 -0.6422 -0.4408 -0.4408 0.6165 0.6165 0.6959 0.6959 1.0067 1.0067 1.1320 1.1320 2.1182 2.1182 2.2042 2.2042 2.5815 2.5815 2.8057 2.8057 2.8927 2.8927 3.2172 3.2172 3.8657 3.8657 4.0782 4.0782 4.5239 4.5239 4.8655 4.8655 6.2322 6.2322 6.5307 6.5307 6.6976 6.6976 7.1302 7.1302 7.4194 7.4194 7.4863 7.4863 12.1990 12.1990 12.8999 12.8999 12.9237 12.9237 13.6249 13.6249 14.1205 14.1205 14.5093 14.5093 k = 0.5000 0.2887 0.9923 ( 4932 PWs) bands (ev): -9.6442 -9.6442 -9.5444 -9.5444 -7.0640 -7.0640 -6.8772 -6.8772 -6.6210 -6.6210 -6.2302 -6.2302 -6.1050 -6.1050 -5.9955 -5.9955 -1.3099 -1.3099 -1.1246 -1.1246 -0.5867 -0.5867 -0.4166 -0.4166 0.6584 0.6584 0.7248 0.7248 1.0243 1.0243 1.1927 1.1927 2.1530 2.1530 2.2252 2.2252 2.5802 2.5802 2.8388 2.8388 2.9273 2.9273 3.2534 3.2534 3.8742 3.8742 4.1017 4.1017 4.5171 4.5171 4.8658 4.8658 6.2019 6.2019 6.5010 6.5010 6.6803 6.6803 7.1391 7.1391 7.4286 7.4286 7.5129 7.5129 12.2146 12.2146 12.8693 12.8693 12.9988 12.9988 13.6322 13.6322 14.1594 14.1594 14.5944 14.5944 k = 0.5000 0.2887 0.9681 ( 4922 PWs) bands (ev): -9.6727 -9.6727 -9.5661 -9.5661 -7.1185 -7.1185 -6.9261 -6.9261 -6.6504 -6.6504 -6.2287 -6.2287 -6.1184 -6.1184 -5.9869 -5.9869 -1.2990 -1.2990 -1.1445 -1.1445 -0.5312 -0.5312 -0.3943 -0.3943 0.7038 0.7038 0.7561 0.7561 1.0432 1.0432 1.2585 1.2585 2.1932 2.1932 2.2480 2.2480 2.5763 2.5763 2.8739 2.8739 2.9687 2.9687 3.2891 3.2891 3.8841 3.8841 4.1254 4.1254 4.5133 4.5133 4.8643 4.8643 6.1726 6.1726 6.4696 6.4696 6.6644 6.6644 7.1471 7.1471 7.4370 7.4370 7.5388 7.5388 12.2338 12.2338 12.8413 12.8413 13.0777 13.0777 13.6416 13.6416 14.2006 14.2006 14.6800 14.6800 k = 0.5000 0.2887 0.9439 ( 4922 PWs) bands (ev): -9.7023 -9.7023 -9.5890 -9.5890 -7.1730 -7.1730 -6.9759 -6.9759 -6.6797 -6.6797 -6.2285 -6.2285 -6.1340 -6.1340 -5.9806 -5.9806 -1.2871 -1.2871 -1.1650 -1.1650 -0.4762 -0.4762 -0.3742 -0.3742 0.7526 0.7526 0.7906 0.7906 1.0638 1.0638 1.3289 1.3289 2.2388 2.2388 2.2725 2.2725 2.5704 2.5704 2.9110 2.9110 3.0162 3.0162 3.3238 3.3238 3.8956 3.8956 4.1491 4.1491 4.5130 4.5130 4.8612 4.8612 6.1442 6.1442 6.4370 6.4370 6.6497 6.6497 7.1541 7.1541 7.4444 7.4444 7.5637 7.5637 12.2566 12.2566 12.8165 12.8165 13.1598 13.1598 13.6529 13.6529 14.2439 14.2439 14.7653 14.7653 k = 0.5000 0.2887 0.9197 ( 4918 PWs) bands (ev): -9.7327 -9.7327 -9.6129 -9.6129 -7.2272 -7.2272 -7.0263 -7.0263 -6.7089 -6.7089 -6.2299 -6.2299 -6.1517 -6.1517 -5.9767 -5.9767 -1.2747 -1.2747 -1.1859 -1.1859 -0.4222 -0.4222 -0.3566 -0.3566 0.8047 0.8047 0.8288 0.8288 1.0863 1.0863 1.4034 1.4034 2.2894 2.2894 2.2990 2.2990 2.5633 2.5633 2.9501 2.9501 3.0692 3.0692 3.3571 3.3571 3.9090 3.9090 4.1727 4.1727 4.5163 4.5163 4.8566 4.8566 6.1171 6.1171 6.4034 6.4034 6.6362 6.6362 7.1599 7.1599 7.4509 7.4509 7.5876 7.5876 12.2831 12.2831 12.7948 12.7948 13.2449 13.2449 13.6663 13.6663 14.2892 14.2892 14.8494 14.8494 k = 0.5000 0.2887 0.8955 ( 4926 PWs) bands (ev): -9.7640 -9.7640 -9.6379 -9.6379 -7.2811 -7.2811 -7.0770 -7.0770 -6.7381 -6.7381 -6.2326 -6.2326 -6.1712 -6.1712 -5.9750 -5.9750 -1.2621 -1.2621 -1.2076 -1.2076 -0.3697 -0.3697 -0.3415 -0.3415 0.8599 0.8599 0.8712 0.8712 1.1109 1.1109 1.4814 1.4814 2.3259 2.3259 2.3461 2.3461 2.5558 2.5558 2.9909 2.9909 3.1272 3.1272 3.3884 3.3884 3.9246 3.9246 4.1960 4.1960 4.5233 4.5233 4.8507 4.8507 6.0912 6.0912 6.3691 6.3691 6.6239 6.6239 7.1645 7.1645 7.4564 7.4564 7.6103 7.6103 12.3132 12.3132 12.7762 12.7762 13.3330 13.3330 13.6817 13.6817 14.3363 14.3363 14.9311 14.9311 k = 0.5000 0.2887 0.8713 ( 4918 PWs) bands (ev): -9.7958 -9.7958 -9.6636 -9.6636 -7.3346 -7.3346 -7.1278 -7.1278 -6.7671 -6.7671 -6.2369 -6.2369 -6.1922 -6.1922 -5.9754 -5.9754 -1.2497 -1.2497 -1.2300 -1.2300 -0.3294 -0.3294 -0.3186 -0.3186 0.9154 0.9154 0.9206 0.9206 1.1381 1.1381 1.5625 1.5625 2.3544 2.3544 2.4067 2.4067 2.5493 2.5493 3.0336 3.0336 3.1896 3.1896 3.4173 3.4173 3.9432 3.9432 4.2190 4.2190 4.5342 4.5342 4.8436 4.8436 6.0666 6.0666 6.3343 6.3343 6.6126 6.6126 7.1678 7.1678 7.4611 7.4611 7.6319 7.6319 12.3468 12.3468 12.7608 12.7608 13.4237 13.4237 13.6991 13.6991 14.3850 14.3850 15.0087 15.0087 k = 0.5000 0.2887 0.8471 ( 4926 PWs) bands (ev): -9.8282 -9.8282 -9.6901 -9.6901 -7.3875 -7.3875 -7.1786 -7.1786 -6.7960 -6.7960 -6.2431 -6.2431 -6.2141 -6.2141 -5.9779 -5.9779 -1.2532 -1.2532 -1.2378 -1.2378 -0.3197 -0.3197 -0.2700 -0.2700 0.9675 0.9675 0.9807 0.9807 1.1682 1.1682 1.6463 1.6463 2.3820 2.3820 2.4716 2.4716 2.5458 2.5458 3.0780 3.0780 3.2558 3.2558 3.4432 3.4432 3.9652 3.9652 4.2417 4.2417 4.5489 4.5489 4.8357 4.8357 6.0435 6.0435 6.2992 6.2992 6.6023 6.6023 7.1698 7.1698 7.4649 7.4649 7.6521 7.6521 12.3839 12.3839 12.7486 12.7486 13.5168 13.5168 13.7184 13.7184 14.4349 14.4349 15.0801 15.0801 k = 0.5000 0.2887 0.8228 ( 4922 PWs) bands (ev): -9.8610 -9.8610 -9.7171 -9.7171 -7.4398 -7.4398 -7.2292 -7.2292 -6.8248 -6.8248 -6.2530 -6.2530 -6.2347 -6.2347 -5.9822 -5.9822 -1.2772 -1.2772 -1.2269 -1.2269 -0.3129 -0.3129 -0.2236 -0.2236 1.0231 1.0231 1.0440 1.0440 1.2016 1.2016 1.7322 1.7322 2.4056 2.4056 2.5400 2.5400 2.5495 2.5495 3.1239 3.1239 3.3255 3.3255 3.4661 3.4661 3.9913 3.9913 4.2641 4.2641 4.5673 4.5673 4.8272 4.8272 6.0218 6.0218 6.2641 6.2641 6.5928 6.5928 7.1704 7.1704 7.4677 7.4677 7.6710 7.6710 12.4245 12.4245 12.7395 12.7395 13.6118 13.6118 13.7395 13.7395 14.4858 14.4858 15.1430 15.1430 k = 0.5000 0.2887 0.7986 ( 4918 PWs) bands (ev): -9.8940 -9.8940 -9.7446 -9.7446 -7.4913 -7.4913 -7.2795 -7.2795 -6.8534 -6.8534 -6.2715 -6.2715 -6.2490 -6.2490 -5.9882 -5.9882 -1.3020 -1.3020 -1.2171 -1.2171 -0.3088 -0.3088 -0.1799 -0.1799 1.0828 1.0828 1.1088 1.1088 1.2392 1.2392 1.8198 1.8198 2.4207 2.4207 2.5636 2.5636 2.6129 2.6129 3.1714 3.1714 3.3982 3.3982 3.4855 3.4855 4.0220 4.0220 4.2861 4.2861 4.5894 4.5894 4.8184 4.8184 6.0016 6.0016 6.2290 6.2290 6.5842 6.5842 7.1697 7.1697 7.4697 7.4697 7.6885 7.6885 12.4685 12.4685 12.7335 12.7335 13.7083 13.7083 13.7622 13.7622 14.5373 14.5373 15.1953 15.1953 k = 0.5000 0.2887 0.7744 ( 4900 PWs) bands (ev): -9.9272 -9.9272 -9.7725 -9.7725 -7.5420 -7.5420 -7.3293 -7.3293 -6.8818 -6.8818 -6.2960 -6.2960 -6.2593 -6.2593 -5.9959 -5.9959 -1.3275 -1.3275 -1.2086 -1.2086 -0.3073 -0.3073 -0.1390 -0.1390 1.1467 1.1467 1.1734 1.1734 1.2823 1.2823 1.9086 1.9086 2.4255 2.4255 2.5923 2.5923 2.6878 2.6878 3.2205 3.2205 3.4733 3.4733 3.5019 3.5019 4.0576 4.0576 4.3077 4.3077 4.6148 4.6148 4.8095 4.8095 5.9830 5.9830 6.1941 6.1941 6.5762 6.5762 7.1677 7.1677 7.4709 7.4709 7.7048 7.7048 12.5158 12.5158 12.7304 12.7304 13.7861 13.7861 13.8055 13.8055 14.5890 14.5890 15.2026 15.2026 k = 0.5000 0.2887 0.7502 ( 4910 PWs) bands (ev): -9.9604 -9.9604 -9.8006 -9.8006 -7.5919 -7.5919 -7.3784 -7.3784 -6.9099 -6.9099 -6.3226 -6.3226 -6.2691 -6.2691 -6.0050 -6.0050 -1.3538 -1.3538 -1.2016 -1.2016 -0.3082 -0.3082 -0.1010 -0.1010 1.2144 1.2144 1.2353 1.2353 1.3330 1.3330 1.9980 1.9980 2.4228 2.4228 2.6323 2.6323 2.7647 2.7647 3.2713 3.2713 3.5146 3.5146 3.5511 3.5511 4.0982 4.0982 4.3291 4.3291 4.6434 4.6434 4.8009 4.8009 5.9659 5.9659 6.1595 6.1595 6.5687 6.5687 7.1643 7.1643 7.4712 7.4712 7.7196 7.7196 12.5663 12.5663 12.7303 12.7303 13.8114 13.8114 13.9023 13.9023 14.6404 14.6404 15.1798 15.1798 k = 0.5000 0.2887 0.7260 ( 4904 PWs) bands (ev): -9.9936 -9.9936 -9.8288 -9.8288 -7.6407 -7.6407 -7.4269 -7.4269 -6.9378 -6.9378 -6.3501 -6.3501 -6.2794 -6.2794 -6.0154 -6.0154 -1.3806 -1.3806 -1.1962 -1.1962 -0.3114 -0.3114 -0.0660 -0.0660 1.2853 1.2853 1.2925 1.2925 1.3928 1.3928 2.0871 2.0871 2.4165 2.4165 2.6806 2.6806 2.8431 2.8431 3.3239 3.3239 3.5254 3.5254 3.6300 3.6300 4.1439 4.1439 4.3504 4.3504 4.6750 4.6750 4.7930 4.7930 5.9506 5.9506 6.1255 6.1255 6.5618 6.5618 7.1596 7.1596 7.4707 7.4707 7.7331 7.7331 12.6198 12.6198 12.7328 12.7328 13.8375 13.8375 13.9975 13.9975 14.6913 14.6913 15.1577 15.1577 k = 0.5000 0.2887 0.7018 ( 4906 PWs) bands (ev): -10.0265 -10.0265 -9.8570 -9.8570 -7.6885 -7.6885 -7.4745 -7.4745 -6.9653 -6.9653 -6.3783 -6.3783 -6.2902 -6.2902 -6.0269 -6.0269 -1.4078 -1.4078 -1.1925 -1.1925 -0.3167 -0.3167 -0.0341 -0.0341 1.3442 1.3442 1.3600 1.3600 1.4611 1.4611 2.1742 2.1742 2.4103 2.4103 2.7350 2.7350 2.9221 2.9221 3.3785 3.3785 3.5344 3.5344 3.7101 3.7101 4.1941 4.1941 4.3718 4.3718 4.7092 4.7092 4.7862 4.7862 5.9369 5.9369 6.0921 6.0921 6.5551 6.5551 7.1537 7.1537 7.4694 7.4694 7.7452 7.7452 12.6761 12.6761 12.7380 12.7380 13.8641 13.8641 14.0889 14.0889 14.7415 14.7415 15.1375 15.1375 k = 0.5000 0.2887 0.6776 ( 4902 PWs) bands (ev): -10.0592 -10.0592 -9.8852 -9.8852 -7.7352 -7.7352 -7.5212 -7.5212 -6.9923 -6.9923 -6.4068 -6.4068 -6.3015 -6.3015 -6.0394 -6.0394 -1.4355 -1.4355 -1.1904 -1.1904 -0.3238 -0.3238 -0.0053 -0.0053 1.3935 1.3935 1.4365 1.4365 1.5353 1.5353 2.2546 2.2546 2.4097 2.4097 2.7944 2.7944 3.0011 3.0011 3.4349 3.4349 3.5429 3.5429 3.7906 3.7906 4.2486 4.2486 4.3935 4.3935 4.7461 4.7461 4.7810 4.7810 5.9251 5.9251 6.0594 6.0594 6.5488 6.5488 7.1465 7.1465 7.4673 7.4673 7.7561 7.7561 12.7341 12.7341 12.7466 12.7466 13.8909 13.8909 14.1739 14.1739 14.7914 14.7914 15.1205 15.1205 k = 0.5000 0.2887 0.6534 ( 4894 PWs) bands (ev): -10.0915 -10.0915 -9.9132 -9.9132 -7.7807 -7.7807 -7.5668 -7.5668 -7.0190 -7.0190 -6.4355 -6.4355 -6.3134 -6.3134 -6.0527 -6.0527 -1.4634 -1.4634 -1.1900 -1.1900 -0.3326 -0.3326 0.0206 0.0206 1.4412 1.4412 1.5149 1.5149 1.6132 1.6132 2.3129 2.3129 2.4304 2.4304 2.8580 2.8580 3.0793 3.0793 3.4909 3.4909 3.5540 3.5540 3.8708 3.8708 4.3068 4.3068 4.4159 4.4159 4.7775 4.7775 4.7856 4.7856 5.9151 5.9151 6.0275 6.0275 6.5428 6.5428 7.1382 7.1382 7.4644 7.4644 7.7657 7.7657 12.7545 12.7545 12.7973 12.7973 13.9176 13.9176 14.2486 14.2486 14.8419 14.8419 15.1082 15.1082 k = 0.5000 0.2887 0.6292 ( 4910 PWs) bands (ev): -10.1234 -10.1234 -9.9409 -9.9409 -7.8250 -7.8250 -7.6114 -7.6114 -7.0452 -7.0452 -6.4641 -6.4641 -6.3257 -6.3257 -6.0667 -6.0667 -1.4914 -1.4914 -1.1911 -1.1911 -0.3427 -0.3427 0.0435 0.0435 1.4880 1.4880 1.5941 1.5941 1.6931 1.6931 2.3329 2.3329 2.4890 2.4890 2.9253 2.9253 3.1560 3.1560 3.5330 3.5330 3.5825 3.5825 3.9497 3.9497 4.3680 4.3680 4.4396 4.4396 4.7767 4.7767 4.8272 4.8272 5.9071 5.9071 5.9966 5.9966 6.5368 6.5368 7.1288 7.1288 7.4608 7.4608 7.7741 7.7741 12.7660 12.7660 12.8608 12.8608 13.9437 13.9437 14.3086 14.3086 14.8934 14.8934 15.1024 15.1024 k = 0.5000 0.2887 0.6050 ( 4906 PWs) bands (ev): -10.1547 -10.1547 -9.9682 -9.9682 -7.8680 -7.8680 -7.6548 -7.6548 -7.0708 -7.0708 -6.4927 -6.4927 -6.3383 -6.3383 -6.0813 -6.0813 -1.5193 -1.5193 -1.1937 -1.1937 -0.3541 -0.3541 0.0638 0.0638 1.5339 1.5339 1.6734 1.6734 1.7740 1.7740 2.3339 2.3339 2.5664 2.5664 2.9961 2.9961 3.2306 3.2306 3.5507 3.5507 3.6399 3.6399 4.0260 4.0260 4.4315 4.4315 4.4655 4.4655 4.7788 4.7788 4.8714 4.8714 5.9011 5.9011 5.9668 5.9668 6.5310 6.5310 7.1183 7.1183 7.4564 7.4564 7.7813 7.7813 12.7789 12.7789 12.9263 12.9263 13.9688 13.9688 14.3501 14.3501 14.9441 14.9441 15.1067 15.1067 k = 0.5000 0.2887 0.5808 ( 4902 PWs) bands (ev): -10.1854 -10.1854 -9.9951 -9.9951 -7.9097 -7.9097 -7.6970 -7.6970 -7.0958 -7.0958 -6.5210 -6.5210 -6.3511 -6.3511 -6.0963 -6.0963 -1.5472 -1.5472 -1.1977 -1.1977 -0.3665 -0.3665 0.0814 0.0814 1.5787 1.5787 1.7513 1.7513 1.8551 1.8551 2.3314 2.3314 2.6475 2.6475 3.0699 3.0699 3.3023 3.3023 3.5634 3.5634 3.7077 3.7077 4.0983 4.0983 4.4928 4.4928 4.4986 4.4986 4.7842 4.7842 4.9182 4.9182 5.8973 5.8973 5.9382 5.9382 6.5251 6.5251 7.1068 7.1068 7.4513 7.4513 7.7874 7.7874 12.7929 12.7929 12.9933 12.9933 13.9924 13.9924 14.3711 14.3711 14.9831 14.9831 15.0995 15.0995 k = 0.5000 0.2887 0.5566 ( 4898 PWs) bands (ev): -10.2153 -10.2153 -10.0215 -10.0215 -7.9500 -7.9500 -7.7378 -7.7378 -7.1203 -7.1203 -6.5489 -6.5489 -6.3641 -6.3641 -6.1116 -6.1116 -1.5747 -1.5747 -1.2029 -1.2029 -0.3796 -0.3796 0.0965 0.0965 1.6222 1.6222 1.8259 1.8259 1.9357 1.9357 2.3308 2.3308 2.7278 2.7278 3.1464 3.1464 3.3696 3.3696 3.5790 3.5790 3.7796 3.7796 4.1645 4.1645 4.5284 4.5284 4.5632 4.5632 4.7932 4.7932 4.9677 4.9677 5.8960 5.8960 5.9110 5.9110 6.5193 6.5193 7.0944 7.0944 7.4455 7.4455 7.7925 7.7925 12.8075 12.8075 13.0613 13.0613 14.0141 14.0141 14.3728 14.3728 14.9966 14.9966 15.0287 15.0287 k = 0.5000 0.2887 0.5324 ( 4894 PWs) bands (ev): -10.2445 -10.2445 -10.0472 -10.0472 -7.9888 -7.9888 -7.7773 -7.7773 -7.1440 -7.1440 -6.5763 -6.5763 -6.3772 -6.3772 -6.1270 -6.1270 -1.6019 -1.6019 -1.2091 -1.2091 -0.3933 -0.3933 0.1094 0.1094 1.6640 1.6640 1.8945 1.8945 2.0150 2.0150 2.3357 2.3357 2.8056 2.8056 3.2253 3.2253 3.4303 3.4303 3.6019 3.6019 3.8539 3.8539 4.2228 4.2228 4.5694 4.5694 4.6293 4.6293 4.8060 4.8060 5.0202 5.0202 5.8854 5.8854 5.8971 5.8971 6.5134 6.5134 7.0809 7.0809 7.4390 7.4390 7.7965 7.7965 12.8224 12.8224 13.1297 13.1297 14.0335 14.0335 14.3580 14.3580 14.9484 14.9484 14.9854 14.9854 k = 0.5000 0.2887 0.5082 ( 4898 PWs) bands (ev): -10.2728 -10.2728 -10.0723 -10.0723 -8.0262 -8.0262 -7.8153 -7.8153 -7.1670 -7.1670 -6.6031 -6.6031 -6.3903 -6.3903 -6.1425 -6.1425 -1.6286 -1.6286 -1.2163 -1.2163 -0.4075 -0.4075 0.1202 0.1202 1.7038 1.7038 1.9538 1.9538 2.0924 2.0924 2.3495 2.3495 2.8797 2.8797 3.3061 3.3061 3.4808 3.4808 3.6367 3.6367 3.9293 3.9293 4.2719 4.2719 4.6181 4.6181 4.6949 4.6949 4.8226 4.8226 5.0757 5.0757 5.8616 5.8616 5.9010 5.9010 6.5074 6.5074 7.0666 7.0666 7.4319 7.4319 7.7996 7.7996 12.8369 12.8369 13.1979 13.1979 14.0503 14.0503 14.3302 14.3302 14.8600 14.8600 14.9537 14.9537 k = 0.5000 0.2887 0.4840 ( 4890 PWs) bands (ev): -10.3002 -10.3002 -10.0967 -10.0967 -8.0621 -8.0621 -7.8519 -7.8519 -7.1893 -7.1893 -6.6292 -6.6292 -6.4033 -6.4033 -6.1580 -6.1580 -1.6547 -1.6547 -1.2242 -1.2242 -0.4219 -0.4219 0.1291 0.1291 1.7412 1.7412 2.0001 2.0001 2.1672 2.1672 2.3756 2.3756 2.9495 2.9495 3.3884 3.3884 3.5197 3.5197 3.6856 3.6856 4.0048 4.0048 4.3122 4.3122 4.6745 4.6745 4.7593 4.7593 4.8427 4.8427 5.1344 5.1344 5.8397 5.8397 5.9079 5.9079 6.5013 6.5013 7.0514 7.0514 7.4241 7.4241 7.8017 7.8017 12.8506 12.8506 13.2650 13.2650 14.0641 14.0641 14.2924 14.2924 14.7646 14.7646 14.9020 14.9020 k = 0.5000 0.2887 0.4598 ( 4894 PWs) bands (ev): -10.3266 -10.3266 -10.1202 -10.1202 -8.0965 -8.0965 -7.8869 -7.8869 -7.2107 -7.2107 -6.6545 -6.6545 -6.4161 -6.4161 -6.1733 -6.1733 -1.6800 -1.6800 -1.2327 -1.2327 -0.4365 -0.4365 0.1363 0.1363 1.7760 1.7760 2.0316 2.0316 2.2388 2.2388 2.4155 2.4155 3.0145 3.0145 3.4717 3.4717 3.5506 3.5506 3.7457 3.7457 4.0793 4.0793 4.3451 4.3451 4.7374 4.7374 4.8219 4.8219 4.8657 4.8657 5.1960 5.1960 5.8203 5.8203 5.9180 5.9180 6.4950 6.4950 7.0354 7.0354 7.4158 7.4158 7.8031 7.8031 12.8626 12.8626 13.3299 13.3299 14.0750 14.0750 14.2472 14.2472 14.6639 14.6639 14.8301 14.8301 k = 0.5000 0.2887 0.4356 ( 4888 PWs) bands (ev): -10.3520 -10.3520 -10.1429 -10.1429 -8.1292 -8.1292 -7.9204 -7.9204 -7.2313 -7.2313 -6.6790 -6.6790 -6.4288 -6.4288 -6.1883 -6.1883 -1.7046 -1.7046 -1.2417 -1.2417 -0.4510 -0.4510 0.1420 0.1420 1.8081 1.8081 2.0496 2.0496 2.3065 2.3065 2.4675 2.4675 3.0744 3.0744 3.5551 3.5551 3.5786 3.5786 3.8126 3.8126 4.1521 4.1521 4.3731 4.3731 4.8047 4.8047 4.8818 4.8818 4.8918 4.8918 5.2602 5.2602 5.8036 5.8036 5.9315 5.9315 6.4885 6.4885 7.0186 7.0186 7.4069 7.4069 7.8036 7.8036 12.8725 12.8725 13.3913 13.3913 14.0831 14.0831 14.1964 14.1964 14.5591 14.5591 14.7399 14.7399 k = 0.5000 0.2887 0.4114 ( 4892 PWs) bands (ev): -10.3763 -10.3763 -10.1646 -10.1646 -8.1604 -8.1604 -7.9523 -7.9523 -7.2510 -7.2510 -6.7025 -6.7025 -6.4411 -6.4411 -6.2030 -6.2030 -1.7283 -1.7283 -1.2510 -1.2510 -0.4654 -0.4654 0.1463 0.1463 1.8374 1.8374 2.0575 2.0575 2.3698 2.3698 2.5278 2.5278 3.1291 3.1291 3.6062 3.6062 3.6386 3.6386 3.8833 3.8833 4.2222 4.2222 4.3985 4.3985 4.8745 4.8745 4.9171 4.9171 4.9417 4.9417 5.3263 5.3263 5.7903 5.7903 5.9486 5.9486 6.4818 6.4818 7.0010 7.0010 7.3975 7.3975 7.8034 7.8034 12.8795 12.8795 13.4472 13.4472 14.0888 14.0888 14.1416 14.1416 14.4521 14.4521 14.6358 14.6358 k = 0.5000 0.2887 0.3872 ( 4900 PWs) bands (ev): -10.3994 -10.3994 -10.1854 -10.1854 -8.1899 -8.1899 -7.9825 -7.9825 -7.2698 -7.2698 -6.7250 -6.7250 -6.4530 -6.4530 -6.2173 -6.2173 -1.7510 -1.7510 -1.2604 -1.2604 -0.4795 -0.4795 0.1495 0.1495 1.8639 1.8639 2.0587 2.0587 2.4281 2.4281 2.5925 2.5925 3.1785 3.1785 3.6362 3.6362 3.7201 3.7201 3.9557 3.9557 4.2891 4.2891 4.4233 4.4233 4.9401 4.9401 4.9499 4.9499 4.9973 4.9973 5.3931 5.3931 5.7814 5.7814 5.9692 5.9692 6.4749 6.4749 6.9826 6.9826 7.3876 7.3876 7.8026 7.8026 12.8828 12.8828 13.4955 13.4955 14.0832 14.0832 14.0933 14.0933 14.3450 14.3450 14.5233 14.5233 k = 0.5000 0.2887 0.3630 ( 4898 PWs) bands (ev): -10.4214 -10.4214 -10.2052 -10.2052 -8.2178 -8.2178 -8.0111 -8.0111 -7.2876 -7.2876 -6.7464 -6.7464 -6.4645 -6.4645 -6.2311 -6.2311 -1.7727 -1.7727 -1.2699 -1.2699 -0.4932 -0.4932 0.1517 0.1517 1.8877 1.8877 2.0558 2.0558 2.4812 2.4812 2.6585 2.6585 3.2228 3.2228 3.6689 3.6689 3.7993 3.7993 4.0286 4.0286 4.3525 4.3525 4.4492 4.4492 4.9697 4.9697 5.0184 5.0184 5.0503 5.0503 5.4590 5.4590 5.7784 5.7784 5.9935 5.9935 6.4677 6.4677 6.9636 6.9636 7.3773 7.3773 7.8013 7.8013 12.8819 12.8819 13.5333 13.5333 14.0230 14.0230 14.0944 14.0944 14.2420 14.2420 14.4080 14.4080 k = 0.5000 0.2887 0.3388 ( 4900 PWs) bands (ev): -10.4421 -10.4421 -10.2238 -10.2238 -8.2440 -8.2440 -8.0379 -8.0379 -7.3045 -7.3045 -6.7667 -6.7667 -6.4756 -6.4756 -6.2443 -6.2443 -1.7932 -1.7932 -1.2793 -1.2793 -0.5065 -0.5065 0.1530 0.1530 1.9088 1.9088 2.0503 2.0503 2.5287 2.5287 2.7239 2.7239 3.2623 3.2623 3.7043 3.7043 3.8750 3.8750 4.1011 4.1011 4.4122 4.4122 4.4775 4.4775 4.9949 4.9949 5.0883 5.0883 5.1007 5.1007 5.5216 5.5216 5.7833 5.7833 6.0211 6.0211 6.4603 6.4603 6.9437 6.9437 7.3667 7.3667 7.7994 7.7994 12.8762 12.8762 13.5576 13.5576 13.9597 13.9597 14.0790 14.0790 14.1609 14.1609 14.2950 14.2950 k = 0.5000 0.2887 0.3146 ( 4900 PWs) bands (ev): -10.4616 -10.4616 -10.2414 -10.2414 -8.2684 -8.2684 -8.0630 -8.0630 -7.3203 -7.3203 -6.7858 -6.7858 -6.4861 -6.4861 -6.2568 -6.2568 -1.8126 -1.8126 -1.2884 -1.2884 -0.5191 -0.5191 0.1537 0.1537 1.9275 1.9275 2.0435 2.0435 2.5707 2.5707 2.7870 2.7870 3.2971 3.2971 3.7425 3.7425 3.9461 3.9461 4.1719 4.1719 4.4683 4.4683 4.5093 4.5093 5.0179 5.0179 5.1431 5.1431 5.1611 5.1611 5.5779 5.5779 5.7993 5.7993 6.0518 6.0518 6.4526 6.4526 6.9230 6.9230 7.3558 7.3558 7.7971 7.7971 12.8654 12.8654 13.5655 13.5655 13.8924 13.8924 14.0086 14.0086 14.1435 14.1435 14.1898 14.1898 k = 0.5000 0.2887 0.2904 ( 4900 PWs) bands (ev): -10.4798 -10.4798 -10.2578 -10.2578 -8.2912 -8.2912 -8.0864 -8.0864 -7.3350 -7.3350 -6.8037 -6.8037 -6.4960 -6.4960 -6.2687 -6.2687 -1.8308 -1.8308 -1.2973 -1.2973 -0.5312 -0.5312 0.1538 0.1538 1.9438 1.9438 2.0360 2.0360 2.6074 2.6074 2.8470 2.8470 3.3277 3.3277 3.7830 3.7830 4.0116 4.0116 4.2401 4.2401 4.5211 4.5211 4.5454 4.5454 5.0382 5.0382 5.1837 5.1837 5.2288 5.2288 5.6248 5.6248 5.8292 5.8292 6.0848 6.0848 6.4448 6.4448 6.9017 6.9017 7.3447 7.3447 7.7944 7.7944 12.8493 12.8493 13.5555 13.5555 13.8189 13.8189 13.9209 13.9209 14.0969 14.0969 14.1551 14.1551 k = 0.5000 0.2887 0.2662 ( 4908 PWs) bands (ev): -10.4966 -10.4966 -10.2731 -10.2731 -8.3122 -8.3122 -8.1079 -8.1079 -7.3487 -7.3487 -6.8202 -6.8202 -6.5053 -6.5053 -6.2797 -6.2797 -1.8477 -1.8477 -1.3058 -1.3058 -0.5425 -0.5425 0.1535 0.1535 1.9580 1.9580 2.0282 2.0282 2.6389 2.6389 2.9029 2.9029 3.3544 3.3544 3.8250 3.8250 4.0709 4.0709 4.3044 4.3044 4.5711 4.5711 4.5859 4.5859 5.0555 5.0555 5.2179 5.2179 5.2948 5.2948 5.6622 5.6622 5.8728 5.8728 6.1194 6.1194 6.4370 6.4370 6.8795 6.8795 7.3336 7.3336 7.7915 7.7915 12.8283 12.8283 13.5274 13.5274 13.7383 13.7383 13.8389 13.8389 14.0207 14.0207 14.1728 14.1728 k = 0.5000 0.2887 0.2420 ( 4908 PWs) bands (ev): -10.5121 -10.5121 -10.2871 -10.2871 -8.3314 -8.3314 -8.1277 -8.1277 -7.3613 -7.3613 -6.8355 -6.8355 -6.5139 -6.5139 -6.2900 -6.2900 -1.8633 -1.8633 -1.3139 -1.3139 -0.5530 -0.5530 0.1528 0.1528 1.9702 1.9702 2.0205 2.0205 2.6658 2.6658 2.9543 2.9543 3.3775 3.3775 3.8676 3.8676 4.1236 4.1236 4.3636 4.3636 4.6191 4.6191 4.6305 4.6305 5.0698 5.0698 5.2454 5.2454 5.3581 5.3581 5.6937 5.6937 5.9263 5.9263 6.1549 6.1549 6.4291 6.4291 6.8566 6.8566 7.3225 7.3225 7.7884 7.7884 12.8030 12.8030 13.4831 13.4831 13.6522 13.6522 13.7668 13.7668 13.9609 13.9609 14.1914 14.1914 k = 0.5000 0.2887 0.2178 ( 4908 PWs) bands (ev): -10.5261 -10.5261 -10.2998 -10.2998 -8.3488 -8.3488 -8.1456 -8.1456 -7.3727 -7.3727 -6.8494 -6.8494 -6.5218 -6.5218 -6.2995 -6.2995 -1.8775 -1.8775 -1.3214 -1.3214 -0.5627 -0.5627 0.1519 0.1519 1.9807 1.9807 2.0132 2.0132 2.6884 2.6884 3.0008 3.0008 3.3975 3.3975 3.9101 3.9101 4.1699 4.1699 4.4167 4.4167 4.6657 4.6657 4.6783 4.6783 5.0808 5.0808 5.2661 5.2661 5.4180 5.4180 5.7228 5.7228 5.9846 5.9846 6.1901 6.1901 6.4215 6.4215 6.8330 6.8330 7.3116 7.3116 7.7852 7.7852 12.7742 12.7742 13.4272 13.4272 13.5643 13.5643 13.7049 13.7049 13.9149 13.9149 14.2069 14.2069 k = 0.5000 0.2887 0.1936 ( 4892 PWs) bands (ev): -10.5388 -10.5388 -10.3113 -10.3113 -8.3644 -8.3644 -8.1617 -8.1617 -7.3830 -7.3830 -6.8620 -6.8620 -6.5290 -6.5290 -6.3080 -6.3080 -1.8903 -1.8903 -1.3282 -1.3282 -0.5715 -0.5715 0.1509 0.1509 1.9895 1.9895 2.0063 2.0063 2.7072 2.7072 3.0422 3.0422 3.4145 3.4145 3.9513 3.9513 4.2103 4.2103 4.4630 4.4630 4.7111 4.7111 4.7279 4.7279 5.0887 5.0887 5.2807 5.2807 5.4739 5.4739 5.7515 5.7515 6.0445 6.0445 6.2240 6.2240 6.4146 6.4146 6.8086 6.8086 7.3011 7.3011 7.7820 7.7820 12.7434 12.7434 13.3652 13.3652 13.4786 13.4786 13.6515 13.6515 13.8795 13.8795 14.2157 14.2157 k = 0.5000 0.2887 0.1694 ( 4898 PWs) bands (ev): -10.5500 -10.5500 -10.3215 -10.3215 -8.3783 -8.3783 -8.1759 -8.1759 -7.3921 -7.3921 -6.8731 -6.8731 -6.5354 -6.5354 -6.3156 -6.3156 -1.9017 -1.9017 -1.3344 -1.3344 -0.5794 -0.5794 0.1499 0.1499 1.9969 1.9969 2.0000 2.0000 2.7227 2.7227 3.0784 3.0784 3.4288 3.4288 3.9902 3.9902 4.2451 4.2451 4.5021 4.5021 4.7552 4.7552 4.7779 4.7779 5.0936 5.0936 5.2897 5.2897 5.5251 5.5251 5.7799 5.7799 6.1035 6.1035 6.2552 6.2552 6.4088 6.4088 6.7836 6.7836 7.2910 7.2910 7.7788 7.7788 12.7118 12.7118 13.3025 13.3025 13.3983 13.3983 13.6047 13.6047 13.8523 13.8523 14.2154 14.2154 k = 0.5000 0.2887 0.1452 ( 4894 PWs) bands (ev): -10.5598 -10.5598 -10.3304 -10.3304 -8.3903 -8.3903 -8.1883 -8.1883 -7.4001 -7.4001 -6.8828 -6.8828 -6.5410 -6.5410 -6.3223 -6.3223 -1.9116 -1.9116 -1.3399 -1.3399 -0.5863 -0.5863 0.1488 0.1488 1.9943 1.9943 2.0031 2.0031 2.7353 2.7353 3.1095 3.1095 3.4408 3.4408 4.0261 4.0261 4.2750 4.2750 4.5342 4.5342 4.7972 4.7972 4.8267 4.8267 5.0955 5.0955 5.2944 5.2944 5.5712 5.5712 5.8073 5.8073 6.1602 6.1602 6.2824 6.2824 6.4048 6.4048 6.7581 6.7581 7.2817 7.2817 7.7758 7.7758 12.6810 12.6810 13.2430 13.2430 13.3254 13.3254 13.5636 13.5636 13.8314 13.8314 14.2057 14.2057 k = 0.5000 0.2887 0.1210 ( 4894 PWs) bands (ev): -10.5680 -10.5680 -10.3379 -10.3379 -8.4004 -8.4004 -8.1988 -8.1988 -7.4068 -7.4068 -6.8910 -6.8910 -6.5458 -6.5458 -6.3280 -6.3280 -1.9200 -1.9200 -1.3446 -1.3446 -0.5922 -0.5922 0.1478 0.1478 1.9894 1.9894 2.0081 2.0081 2.7453 2.7453 3.1354 3.1354 3.4506 3.4506 4.0580 4.0580 4.3002 4.3002 4.5600 4.5600 4.8360 4.8360 4.8730 4.8730 5.0945 5.0945 5.2957 5.2957 5.6113 5.6113 5.8328 5.8328 6.2133 6.2133 6.3038 6.3038 6.4038 6.4038 6.7323 6.7323 7.2733 7.2733 7.7731 7.7731 12.6523 12.6523 13.1895 13.1895 13.2616 13.2616 13.5279 13.5279 13.8154 13.8154 14.1889 14.1889 k = 0.5000 0.2887 0.0968 ( 4906 PWs) bands (ev): -10.5748 -10.5748 -10.3441 -10.3441 -8.4088 -8.4088 -8.2073 -8.2073 -7.4123 -7.4123 -6.8978 -6.8978 -6.5497 -6.5497 -6.3327 -6.3327 -1.9269 -1.9269 -1.3485 -1.3485 -0.5971 -0.5971 0.1469 0.1469 1.9853 1.9853 2.0120 2.0120 2.7531 2.7531 3.1562 3.1562 3.4584 3.4584 4.0852 4.0852 4.3208 4.3208 4.5799 4.5799 4.8704 4.8704 4.9156 4.9156 5.0905 5.0905 5.2948 5.2948 5.6450 5.6450 5.8553 5.8553 6.2618 6.2618 6.3184 6.3184 6.4065 6.4065 6.7069 6.7069 7.2661 7.2661 7.7707 7.7707 12.6269 12.6269 13.1437 13.1437 13.2081 13.2081 13.4978 13.4978 13.8034 13.8034 14.1689 14.1689 k = 0.5000 0.2887 0.0726 ( 4908 PWs) bands (ev): -10.5801 -10.5801 -10.3489 -10.3489 -8.4152 -8.4152 -8.2140 -8.2140 -7.4167 -7.4167 -6.9030 -6.9030 -6.5528 -6.5528 -6.3363 -6.3363 -1.9323 -1.9323 -1.3516 -1.3516 -0.6009 -0.6009 0.1462 0.1462 1.9821 1.9821 2.0149 2.0149 2.7589 2.7589 3.1723 3.1723 3.4643 3.4643 4.1070 4.1070 4.3370 4.3370 4.5948 4.5948 4.8991 4.8991 4.9539 4.9539 5.0833 5.0833 5.2927 5.2927 5.6718 5.6718 5.8738 5.8738 6.3038 6.3038 6.3267 6.3267 6.4123 6.4123 6.6829 6.6829 7.2602 7.2602 7.7688 7.7688 12.6060 12.6060 13.1070 13.1070 13.1656 13.1656 13.4739 13.4739 13.7946 13.7946 14.1498 14.1498 k = 0.5000 0.2887 0.0484 ( 4902 PWs) bands (ev): -10.5839 -10.5839 -10.3524 -10.3524 -8.4199 -8.4199 -8.2188 -8.2188 -7.4197 -7.4197 -6.9068 -6.9068 -6.5550 -6.5550 -6.3390 -6.3390 -1.9362 -1.9362 -1.3538 -1.3538 -0.6036 -0.6036 0.1456 0.1456 1.9798 1.9798 2.0170 2.0170 2.7629 2.7629 3.1837 3.1837 3.4684 3.4684 4.1231 4.1231 4.3487 4.3487 4.6051 4.6051 4.9207 4.9207 4.9874 4.9874 5.0726 5.0726 5.2902 5.2902 5.6913 5.6913 5.8875 5.8875 6.3280 6.3280 6.3401 6.3401 6.4188 6.4188 6.6621 6.6621 7.2558 7.2558 7.7674 7.7674 12.5904 12.5904 13.0802 13.0802 13.1348 13.1348 13.4564 13.4564 13.7887 13.7887 14.1343 14.1343 k = 0.5000 0.2887 0.0242 ( 4914 PWs) bands (ev): -10.5862 -10.5862 -10.3544 -10.3544 -8.4227 -8.4227 -8.2217 -8.2217 -7.4216 -7.4216 -6.9091 -6.9091 -6.5563 -6.5563 -6.3405 -6.3405 -1.9385 -1.9385 -1.3551 -1.3551 -0.6052 -0.6052 0.1453 0.1453 1.9784 1.9784 2.0182 2.0182 2.7653 2.7653 3.1904 3.1904 3.4709 3.4709 4.1328 4.1328 4.3558 4.3558 4.6111 4.6111 4.9342 4.9342 5.0157 5.0157 5.0582 5.0582 5.2883 5.2883 5.7031 5.7031 5.8960 5.8960 6.3300 6.3300 6.3621 6.3621 6.4236 6.4236 6.6472 6.6472 7.2531 7.2531 7.7665 7.7665 12.5808 12.5808 13.0639 13.0639 13.1162 13.1162 13.4458 13.4458 13.7853 13.7853 14.1244 14.1244 k = 0.5000 0.2887-0.0000 ( 4922 PWs) bands (ev): -10.5870 -10.5870 -10.3551 -10.3551 -8.4236 -8.4236 -8.2226 -8.2226 -7.4222 -7.4222 -6.9098 -6.9098 -6.5568 -6.5568 -6.3411 -6.3411 -1.9393 -1.9393 -1.3556 -1.3556 -0.6058 -0.6058 0.1452 0.1452 1.9780 1.9780 2.0186 2.0186 2.7661 2.7661 3.1926 3.1926 3.4717 3.4717 4.1360 4.1360 4.3581 4.3581 4.6131 4.6131 4.9388 4.9388 5.0369 5.0369 5.0416 5.0416 5.2876 5.2876 5.7071 5.7071 5.8989 5.8989 6.3303 6.3303 6.3702 6.3702 6.4254 6.4254 6.6417 6.6417 7.2522 7.2522 7.7662 7.7662 12.5776 12.5776 13.0585 13.0585 13.1099 13.1099 13.4422 13.4422 13.7842 13.7842 14.1210 14.1210 k = 0.3333 0.5774-0.0000 ( 4881 PWs) bands (ev): -10.4718 -10.4718 -10.4717 -10.4717 -8.6047 -8.6047 -7.7994 -7.7994 -7.7962 -7.7962 -6.5900 -6.5900 -6.5857 -6.5857 -6.4562 -6.4562 -2.1466 -2.1466 -0.9965 -0.9965 -0.9949 -0.9949 0.1841 0.1841 2.2851 2.2851 2.5225 2.5225 2.5291 2.5291 3.1003 3.1003 3.1014 3.1014 4.2768 4.2768 4.2768 4.2768 4.6547 4.6547 4.7031 4.7031 5.3699 5.3699 5.3741 5.3741 5.4466 5.4466 5.4466 5.4466 5.6097 5.6097 5.9887 5.9887 6.3935 6.3935 6.3935 6.3935 6.9031 6.9031 7.4511 7.4511 7.4545 7.4545 12.8432 12.8432 13.0744 13.0744 13.0777 13.0777 13.6421 13.6421 13.7912 13.7912 13.7970 13.7970 k = 0.3333 0.5774 0.0242 ( 4893 PWs) bands (ev): -10.4711 -10.4711 -10.4710 -10.4710 -8.6037 -8.6037 -7.7986 -7.7986 -7.7954 -7.7954 -6.5895 -6.5895 -6.5852 -6.5852 -6.4556 -6.4556 -2.1458 -2.1458 -0.9960 -0.9960 -0.9944 -0.9944 0.1843 0.1843 2.2853 2.2853 2.5216 2.5216 2.5281 2.5281 3.0995 3.0995 3.1006 3.1006 4.2740 4.2740 4.2741 4.2741 4.6451 4.6451 4.7058 4.7058 5.3620 5.3620 5.3658 5.3658 5.4502 5.4502 5.4507 5.4507 5.6082 5.6082 5.9869 5.9869 6.3908 6.3908 6.3908 6.3908 6.9046 6.9046 7.4517 7.4517 7.4550 7.4550 12.8457 12.8457 13.0798 13.0798 13.0831 13.0831 13.6434 13.6434 13.7951 13.7951 13.8009 13.8009 k = 0.3333 0.5774 0.0484 ( 4893 PWs) bands (ev): -10.4689 -10.4689 -10.4688 -10.4688 -8.6007 -8.6007 -7.7962 -7.7962 -7.7930 -7.7930 -6.5880 -6.5880 -6.5837 -6.5837 -6.4538 -6.4538 -2.1434 -2.1434 -0.9945 -0.9945 -0.9930 -0.9930 0.1850 0.1850 2.2859 2.2859 2.5189 2.5189 2.5253 2.5253 3.0969 3.0969 3.0980 3.0980 4.2658 4.2658 4.2658 4.2658 4.6208 4.6208 4.7097 4.7097 5.3416 5.3416 5.3447 5.3447 5.4580 5.4580 5.4591 5.4591 5.6035 5.6035 5.9817 5.9817 6.3828 6.3828 6.3828 6.3828 6.9090 6.9090 7.4533 7.4533 7.4566 7.4566 12.8529 12.8529 13.0960 13.0960 13.0993 13.0993 13.6478 13.6478 13.8068 13.8068 13.8126 13.8126 k = 0.3333 0.5774 0.0726 ( 4893 PWs) bands (ev): -10.4653 -10.4653 -10.4652 -10.4652 -8.5957 -8.5957 -7.7923 -7.7923 -7.7891 -7.7891 -6.5855 -6.5855 -6.5812 -6.5812 -6.4507 -6.4507 -2.1393 -2.1393 -0.9921 -0.9921 -0.9906 -0.9906 0.1860 0.1860 2.2870 2.2870 2.5143 2.5143 2.5206 2.5206 3.0926 3.0926 3.0936 3.0936 4.2524 4.2524 4.2525 4.2525 4.5863 4.5863 4.7107 4.7107 5.3130 5.3130 5.3154 5.3154 5.4656 5.4656 5.4674 5.4674 5.5950 5.5950 5.9740 5.9740 6.3698 6.3698 6.3699 6.3699 6.9161 6.9161 7.4559 7.4559 7.4593 7.4593 12.8641 12.8641 13.1226 13.1226 13.1259 13.1259 13.6555 13.6555 13.8260 13.8260 13.8318 13.8318 k = 0.3333 0.5774 0.0968 ( 4893 PWs) bands (ev): -10.4602 -10.4602 -10.4601 -10.4601 -8.5887 -8.5887 -7.7867 -7.7867 -7.7835 -7.7835 -6.5820 -6.5820 -6.5777 -6.5777 -6.4464 -6.4464 -2.1337 -2.1337 -0.9888 -0.9888 -0.9873 -0.9873 0.1875 0.1875 2.2885 2.2885 2.5076 2.5076 2.5139 2.5139 3.0863 3.0863 3.0874 3.0874 4.2341 4.2341 4.2343 4.2343 4.5429 4.5429 4.7078 4.7078 5.2782 5.2782 5.2801 5.2801 5.4711 5.4711 5.4733 5.4733 5.5815 5.5815 5.9652 5.9652 6.3523 6.3523 6.3524 6.3524 6.9256 6.9256 7.4595 7.4595 7.4629 7.4629 12.8784 12.8784 13.1591 13.1591 13.1624 13.1624 13.6675 13.6675 13.8520 13.8520 13.8578 13.8578 k = 0.3333 0.5774 0.1210 ( 4893 PWs) bands (ev): -10.4537 -10.4537 -10.4536 -10.4536 -8.5798 -8.5798 -7.7796 -7.7796 -7.7764 -7.7764 -6.5775 -6.5775 -6.5733 -6.5733 -6.4410 -6.4410 -2.1265 -2.1265 -0.9845 -0.9845 -0.9830 -0.9830 0.1894 0.1894 2.2904 2.2904 2.4988 2.4988 2.5049 2.5049 3.0780 3.0780 3.0791 3.0791 4.2115 4.2115 4.2117 4.2117 4.4914 4.4914 4.7009 4.7009 5.2381 5.2381 5.2396 5.2396 5.4735 5.4735 5.4760 5.4760 5.5621 5.5621 5.9566 5.9566 6.3307 6.3307 6.3310 6.3310 6.9371 6.9371 7.4639 7.4639 7.4674 7.4674 12.8942 12.8942 13.2047 13.2047 13.2080 13.2080 13.6846 13.6846 13.8840 13.8840 13.8899 13.8899 k = 0.3333 0.5774 0.1452 ( 4893 PWs) bands (ev): -10.4458 -10.4458 -10.4457 -10.4457 -8.5688 -8.5688 -7.7709 -7.7709 -7.7677 -7.7677 -6.5721 -6.5721 -6.5678 -6.5678 -6.4343 -6.4343 -2.1176 -2.1176 -0.9794 -0.9794 -0.9779 -0.9779 0.1915 0.1915 2.2927 2.2927 2.4878 2.4878 2.4937 2.4937 3.0675 3.0675 3.0685 3.0685 4.1850 4.1850 4.1854 4.1854 4.4323 4.4323 4.6899 4.6899 5.1934 5.1934 5.1945 5.1945 5.4721 5.4721 5.4749 5.4749 5.5359 5.5359 5.9497 5.9497 6.3060 6.3060 6.3063 6.3063 6.9502 6.9502 7.4691 7.4691 7.4726 7.4726 12.9099 12.9099 13.2584 13.2584 13.2616 13.2616 13.7081 13.7081 13.9212 13.9212 13.9271 13.9271 k = 0.3333 0.5774 0.1694 ( 4887 PWs) bands (ev): -10.4365 -10.4365 -10.4364 -10.4364 -8.5559 -8.5559 -7.7606 -7.7606 -7.7574 -7.7574 -6.5657 -6.5657 -6.5614 -6.5614 -6.4265 -6.4265 -2.1072 -2.1072 -0.9734 -0.9734 -0.9719 -0.9719 0.1940 0.1940 2.2952 2.2952 2.4742 2.4742 2.4798 2.4798 3.0545 3.0545 3.0556 3.0556 4.1555 4.1555 4.1560 4.1560 4.3662 4.3662 4.6749 4.6749 5.1444 5.1444 5.1452 5.1452 5.4665 5.4665 5.4698 5.4698 5.5024 5.5024 5.9456 5.9456 6.2789 6.2789 6.2794 6.2794 6.9645 6.9645 7.4749 7.4749 7.4784 7.4784 12.9239 12.9239 13.3186 13.3186 13.3219 13.3219 13.7390 13.7390 13.9622 13.9622 13.9682 13.9682 k = 0.3333 0.5774 0.1936 ( 4881 PWs) bands (ev): -10.4257 -10.4257 -10.4257 -10.4257 -8.5410 -8.5410 -7.7488 -7.7488 -7.7456 -7.7456 -6.5583 -6.5583 -6.5541 -6.5541 -6.4176 -6.4176 -2.0953 -2.0953 -0.9666 -0.9666 -0.9651 -0.9651 0.1968 0.1968 2.2981 2.2981 2.4579 2.4579 2.4632 2.4632 3.0388 3.0388 3.0399 3.0399 4.1236 4.1236 4.1243 4.1243 4.2939 4.2939 4.6559 4.6559 5.0918 5.0918 5.0923 5.0923 5.4534 5.4534 5.4599 5.4599 5.4646 5.4646 5.9448 5.9448 6.2506 6.2506 6.2513 6.2513 6.9797 6.9797 7.4812 7.4812 7.4847 7.4847 12.9345 12.9345 13.3836 13.3836 13.3869 13.3869 13.7783 13.7783 14.0061 14.0061 14.0121 14.0121 k = 0.3333 0.5774 0.2178 ( 4881 PWs) bands (ev): -10.4137 -10.4137 -10.4136 -10.4136 -8.5241 -8.5241 -7.7355 -7.7355 -7.7323 -7.7323 -6.5501 -6.5501 -6.5459 -6.5459 -6.4076 -6.4076 -2.0819 -2.0819 -0.9590 -0.9590 -0.9576 -0.9576 0.1997 0.1997 2.3011 2.3011 2.4385 2.4385 2.4435 2.4435 3.0201 3.0201 3.0212 3.0212 4.0901 4.0901 4.0909 4.0909 4.2160 4.2160 4.6327 4.6327 5.0362 5.0362 5.0363 5.0363 5.4122 5.4122 5.4433 5.4433 5.4448 5.4448 5.9473 5.9473 6.2220 6.2220 6.2230 6.2230 6.9954 6.9954 7.4878 7.4878 7.4913 7.4913 12.9405 12.9405 13.4510 13.4510 13.4542 13.4542 13.8261 13.8261 14.0520 14.0520 14.0580 14.0580 k = 0.3333 0.5774 0.2420 ( 4881 PWs) bands (ev): -10.4002 -10.4002 -10.4001 -10.4001 -8.5053 -8.5053 -7.7206 -7.7206 -7.7175 -7.7175 -6.5410 -6.5410 -6.5368 -6.5368 -6.3965 -6.3965 -2.0670 -2.0670 -0.9507 -0.9507 -0.9493 -0.9493 0.2027 0.2027 2.3043 2.3043 2.4157 2.4157 2.4204 2.4204 2.9982 2.9982 2.9994 2.9994 4.0557 4.0557 4.0566 4.0566 4.1333 4.1333 4.6049 4.6049 4.9780 4.9780 4.9781 4.9781 5.3599 5.3599 5.4222 5.4222 5.4241 5.4241 5.9529 5.9529 6.1943 6.1943 6.1956 6.1956 7.0114 7.0114 7.4946 7.4946 7.4982 7.4982 12.9414 12.9414 13.5177 13.5177 13.5208 13.5208 13.8823 13.8823 14.0998 14.0998 14.1058 14.1058 k = 0.3333 0.5774 0.2662 ( 4881 PWs) bands (ev): -10.3855 -10.3855 -10.3854 -10.3854 -8.4846 -8.4846 -7.7043 -7.7043 -7.7011 -7.7011 -6.5310 -6.5310 -6.5269 -6.5269 -6.3845 -6.3845 -2.0507 -2.0507 -0.9418 -0.9418 -0.9404 -0.9404 0.2058 0.2058 2.3075 2.3075 2.3894 2.3894 2.3936 2.3936 2.9729 2.9729 2.9741 2.9741 4.0211 4.0211 4.0220 4.0220 4.0468 4.0468 4.5723 4.5723 4.9178 4.9178 4.9182 4.9182 5.3031 5.3031 5.3954 5.3954 5.3973 5.3973 5.9612 5.9612 6.1686 6.1686 6.1701 6.1701 7.0276 7.0276 7.5016 7.5016 7.5053 7.5053 12.9370 12.9370 13.5798 13.5798 13.5827 13.5827 13.9460 13.9460 14.1505 14.1505 14.1565 14.1565 k = 0.3333 0.5774 0.2904 ( 4881 PWs) bands (ev): -10.3694 -10.3694 -10.3693 -10.3693 -8.4620 -8.4620 -7.6865 -7.6865 -7.6834 -7.6834 -6.5202 -6.5202 -6.5161 -6.5161 -6.3714 -6.3714 -2.0329 -2.0329 -0.9323 -0.9323 -0.9309 -0.9309 0.2088 0.2088 2.3106 2.3106 2.3592 2.3592 2.3629 2.3629 2.9438 2.9438 2.9451 2.9451 3.9560 3.9560 3.9869 3.9869 3.9886 3.9886 4.5345 4.5345 4.8567 4.8567 4.8573 4.8573 5.2435 5.2435 5.3626 5.3626 5.3643 5.3643 5.9719 5.9719 6.1455 6.1455 6.1473 6.1473 7.0436 7.0436 7.5087 7.5087 7.5123 7.5123 12.9275 12.9275 13.6331 13.6331 13.6359 13.6359 14.0156 14.0156 14.2060 14.2060 14.2121 14.2121 k = 0.3333 0.5774 0.3146 ( 4875 PWs) bands (ev): -10.3521 -10.3521 -10.3520 -10.3520 -8.4375 -8.4375 -7.6673 -7.6673 -7.6642 -7.6642 -6.5087 -6.5087 -6.5046 -6.5046 -6.3574 -6.3574 -2.0138 -2.0138 -0.9223 -0.9223 -0.9210 -0.9210 0.2117 0.2117 2.3134 2.3134 2.3248 2.3248 2.3282 2.3282 2.9110 2.9110 2.9124 2.9124 3.8635 3.8635 3.9536 3.9536 3.9553 3.9553 4.4910 4.4910 4.7951 4.7951 4.7960 4.7960 5.1824 5.1824 5.3238 5.3238 5.3253 5.3253 5.9846 5.9846 6.1256 6.1256 6.1278 6.1278 7.0594 7.0594 7.5156 7.5156 7.5194 7.5194 12.9137 12.9137 13.6738 13.6738 13.6764 13.6764 14.0893 14.0893 14.2685 14.2685 14.2748 14.2748 k = 0.3333 0.5774 0.3388 ( 4887 PWs) bands (ev): -10.3336 -10.3336 -10.3335 -10.3335 -8.4111 -8.4111 -7.6467 -7.6467 -7.6435 -7.6435 -6.4964 -6.4964 -6.4923 -6.4923 -6.3426 -6.3426 -1.9934 -1.9934 -0.9119 -0.9119 -0.9107 -0.9107 0.2144 0.2144 2.2862 2.2862 2.2888 2.2888 2.3162 2.3162 2.8743 2.8743 2.8757 2.8757 3.7691 3.7691 3.9215 3.9215 3.9234 3.9234 4.4415 4.4415 4.7339 4.7339 4.7349 4.7349 5.1208 5.1208 5.2793 5.2793 5.2805 5.2805 5.9990 5.9990 6.1092 6.1092 6.1118 6.1118 7.0749 7.0749 7.5225 7.5225 7.5262 7.5262 12.8960 12.8960 13.6997 13.6997 13.7020 13.7020 14.1652 14.1652 14.3391 14.3391 14.3457 14.3457 k = 0.3333 0.5774 0.3630 ( 4899 PWs) bands (ev): -10.3139 -10.3139 -10.3138 -10.3138 -8.3828 -8.3828 -7.6246 -7.6246 -7.6215 -7.6215 -6.4834 -6.4834 -6.4794 -6.4794 -6.3270 -6.3270 -1.9718 -1.9718 -0.9012 -0.9012 -0.9001 -0.9001 0.2167 0.2167 2.2432 2.2432 2.2453 2.2453 2.3181 2.3181 2.8335 2.8335 2.8351 2.8351 3.6736 3.6736 3.8909 3.8909 3.8929 3.8929 4.3858 4.3858 4.6736 4.6736 4.6749 4.6749 5.0599 5.0599 5.2299 5.2299 5.2307 5.2307 6.0150 6.0150 6.0964 6.0964 6.0993 6.0993 7.0900 7.0900 7.5290 7.5290 7.5328 7.5328 12.8753 12.8753 13.7104 13.7104 13.7125 13.7125 14.2409 14.2409 14.4170 14.4170 14.4240 14.4240 k = 0.3333 0.5774 0.3872 ( 4905 PWs) bands (ev): -10.2930 -10.2930 -10.2929 -10.2929 -8.3527 -8.3527 -7.6013 -7.6013 -7.5982 -7.5982 -6.4698 -6.4698 -6.4658 -6.4658 -6.3106 -6.3106 -1.9489 -1.9489 -0.8904 -0.8904 -0.8893 -0.8893 0.2185 0.2185 2.1960 2.1960 2.1975 2.1975 2.3192 2.3192 2.7887 2.7887 2.7903 2.7903 3.5780 3.5780 3.8616 3.8616 3.8638 3.8638 4.3240 4.3240 4.6149 4.6149 4.6162 4.6162 5.0004 5.0004 5.1764 5.1764 5.1768 5.1768 6.0323 6.0323 6.0871 6.0871 6.0902 6.0902 7.1045 7.1045 7.5353 7.5353 7.5391 7.5391 12.8522 12.8522 13.7075 13.7075 13.7094 13.7094 14.3142 14.3142 14.4999 14.4999 14.5074 14.5074 k = 0.3333 0.5774 0.4114 ( 4905 PWs) bands (ev): -10.2710 -10.2710 -10.2709 -10.2709 -8.3208 -8.3208 -7.5766 -7.5766 -7.5736 -7.5736 -6.4556 -6.4556 -6.4516 -6.4516 -6.2936 -6.2936 -1.9250 -1.9250 -0.8795 -0.8795 -0.8784 -0.8784 0.2197 0.2197 2.1445 2.1445 2.1455 2.1455 2.3192 2.3192 2.7399 2.7399 2.7416 2.7416 3.4828 3.4828 3.8337 3.8337 3.8362 3.8362 4.2561 4.2561 4.5580 4.5580 4.5595 4.5595 4.9425 4.9425 5.1199 5.1199 5.1200 5.1200 6.0509 6.0509 6.0808 6.0808 6.0842 6.0842 7.1185 7.1185 7.5412 7.5412 7.5451 7.5451 12.8275 12.8275 13.6931 13.6931 13.6947 13.6947 14.3831 14.3831 14.5843 14.5843 14.5924 14.5924 k = 0.3333 0.5774 0.4356 ( 4908 PWs) bands (ev): -10.2479 -10.2479 -10.2479 -10.2479 -8.2871 -8.2871 -7.5507 -7.5507 -7.5476 -7.5476 -6.4408 -6.4408 -6.4369 -6.4369 -6.2760 -6.2760 -1.8999 -1.8999 -0.8686 -0.8686 -0.8677 -0.8677 0.2201 0.2201 2.0892 2.0892 2.0897 2.0897 2.3178 2.3178 2.6872 2.6872 2.6888 2.6888 3.3891 3.3891 3.8070 3.8070 3.8097 3.8097 4.1828 4.1828 4.5034 4.5034 4.5048 4.5048 4.8865 4.8865 5.0613 5.0613 5.0618 5.0618 6.0704 6.0704 6.0776 6.0776 6.0810 6.0810 7.1320 7.1320 7.5467 7.5467 7.5506 7.5506 12.8017 12.8017 13.6693 13.6693 13.6707 13.6707 14.4456 14.4456 14.6664 14.6664 14.6752 14.6752 k = 0.3333 0.5774 0.4598 ( 4902 PWs) bands (ev): -10.2239 -10.2239 -10.2238 -10.2238 -8.2517 -8.2517 -7.5235 -7.5235 -7.5205 -7.5205 -6.4256 -6.4256 -6.4217 -6.4217 -6.2580 -6.2580 -1.8740 -1.8740 -0.8580 -0.8580 -0.8571 -0.8571 0.2197 0.2197 2.0304 2.0304 2.0304 2.0304 2.3143 2.3143 2.6304 2.6304 2.6320 2.6320 3.2978 3.2978 3.7812 3.7812 3.7841 3.7841 4.1047 4.1047 4.4510 4.4510 4.4524 4.4524 4.8323 4.8323 5.0023 5.0023 5.0032 5.0032 6.0761 6.0761 6.0801 6.0801 6.0918 6.0918 7.1449 7.1449 7.5517 7.5517 7.5556 7.5556 12.7754 12.7754 13.6380 13.6380 13.6393 13.6393 14.5004 14.5004 14.7422 14.7422 14.7516 14.7516 k = 0.3333 0.5774 0.4840 ( 4902 PWs) bands (ev): -10.1989 -10.1989 -10.1988 -10.1988 -8.2145 -8.2145 -7.4952 -7.4952 -7.4922 -7.4922 -6.4099 -6.4099 -6.4061 -6.4061 -6.2395 -6.2395 -1.8471 -1.8471 -0.8478 -0.8478 -0.8470 -0.8470 0.2182 0.2182 1.9681 1.9681 1.9685 1.9685 2.3083 2.3083 2.5698 2.5698 2.5714 2.5714 3.2098 3.2098 3.7560 3.7560 3.7591 3.7591 4.0226 4.0226 4.4006 4.4006 4.4018 4.4018 4.7796 4.7796 4.9441 4.9441 4.9456 4.9456 6.0772 6.0772 6.0813 6.0813 6.1135 6.1135 7.1572 7.1572 7.5562 7.5562 7.5601 7.5601 12.7492 12.7492 13.6008 13.6008 13.6020 13.6020 14.5463 14.5463 14.8077 14.8077 14.8177 14.8177 k = 0.3333 0.5774 0.5082 ( 4899 PWs) bands (ev): -10.1730 -10.1730 -10.1729 -10.1729 -8.1756 -8.1756 -7.4657 -7.4657 -7.4627 -7.4627 -6.3939 -6.3939 -6.3901 -6.3901 -6.2208 -6.2208 -1.8194 -1.8194 -0.8381 -0.8381 -0.8374 -0.8374 0.2155 0.2155 1.9034 1.9034 1.9043 1.9043 2.2989 2.2989 2.5055 2.5055 2.5070 2.5070 3.1263 3.1263 3.7310 3.7310 3.7345 3.7345 3.9374 3.9374 4.3519 4.3519 4.3528 4.3528 4.7280 4.7280 4.8883 4.8883 4.8904 4.8904 6.0801 6.0801 6.0843 6.0843 6.1363 6.1363 7.1687 7.1687 7.5600 7.5600 7.5639 7.5639 12.7234 12.7234 13.5591 13.5591 13.5601 13.5601 14.5829 14.5829 14.8590 14.8590 14.8694 14.8694 k = 0.3333 0.5774 0.5324 ( 4893 PWs) bands (ev): -10.1462 -10.1462 -10.1461 -10.1461 -8.1351 -8.1351 -7.4351 -7.4351 -7.4322 -7.4322 -6.3777 -6.3777 -6.3739 -6.3739 -6.2019 -6.2019 -1.7910 -1.7910 -0.8292 -0.8292 -0.8286 -0.8286 0.2115 0.2115 1.8369 1.8369 1.8383 1.8383 2.2853 2.2853 2.4377 2.4377 2.4390 2.4390 3.0483 3.0483 3.7059 3.7059 3.7097 3.7097 3.8501 3.8501 4.3044 4.3044 4.3049 4.3049 4.6773 4.6773 4.8361 4.8361 4.8389 4.8389 6.0845 6.0845 6.0889 6.0889 6.1599 6.1599 7.1796 7.1796 7.5631 7.5631 7.5671 7.5671 12.6984 12.6984 13.5140 13.5140 13.5148 13.5148 14.6102 14.6102 14.8931 14.8931 14.9037 14.9037 k = 0.3333 0.5774 0.5566 ( 4908 PWs) bands (ev): -10.1187 -10.1187 -10.1186 -10.1186 -8.0930 -8.0930 -7.4035 -7.4035 -7.4006 -7.4006 -6.3612 -6.3612 -6.3575 -6.3575 -6.1830 -6.1830 -1.7621 -1.7621 -0.8212 -0.8212 -0.8207 -0.8207 0.2060 0.2060 1.7693 1.7693 1.7710 1.7710 2.2667 2.2667 2.3666 2.3666 2.3677 2.3677 2.9770 2.9770 3.6803 3.6803 3.6844 3.6844 3.7616 3.7616 4.2576 4.2576 4.2576 4.2576 4.6271 4.6271 4.7887 4.7887 4.7922 4.7922 6.0904 6.0904 6.0948 6.0948 6.1843 6.1843 7.1897 7.1897 7.5655 7.5655 7.5695 7.5695 12.6747 12.6747 13.4662 13.4662 13.4669 13.4669 14.6285 14.6285 14.9087 14.9087 14.9191 14.9191 k = 0.3333 0.5774 0.5808 ( 4920 PWs) bands (ev): -10.0905 -10.0905 -10.0904 -10.0904 -8.0493 -8.0493 -7.3709 -7.3709 -7.3681 -7.3681 -6.3446 -6.3446 -6.3410 -6.3410 -6.1642 -6.1642 -1.7326 -1.7326 -0.8144 -0.8144 -0.8140 -0.8140 0.1989 0.1989 1.7012 1.7012 1.7033 1.7033 2.2421 2.2421 2.2925 2.2925 2.2935 2.2935 2.9135 2.9135 3.6537 3.6537 3.6580 3.6580 3.6729 3.6729 4.2106 4.2106 4.2111 4.2111 4.5771 4.5771 4.7473 4.7473 4.7514 4.7514 6.0975 6.0975 6.1020 6.1020 6.2095 6.2095 7.1990 7.1990 7.5671 7.5671 7.5710 7.5710 12.6526 12.6526 13.4167 13.4167 13.4173 13.4173 14.6384 14.6384 14.9066 14.9066 14.9164 14.9164 k = 0.3333 0.5774 0.6050 ( 4926 PWs) bands (ev): -10.0617 -10.0617 -10.0616 -10.0616 -8.0040 -8.0040 -7.3375 -7.3375 -7.3346 -7.3346 -6.3280 -6.3280 -6.3244 -6.3244 -6.1455 -6.1455 -1.7028 -1.7028 -0.8088 -0.8088 -0.8085 -0.8085 0.1900 0.1900 1.6332 1.6332 1.6356 1.6356 2.2104 2.2104 2.2159 2.2159 2.2174 2.2174 2.8584 2.8584 3.5845 3.5845 3.6256 3.6256 3.6304 3.6304 4.1639 4.1639 4.1648 4.1648 4.5271 4.5271 4.7123 4.7123 4.7171 4.7171 6.1057 6.1057 6.1103 6.1103 6.2354 6.2354 7.2076 7.2076 7.5678 7.5678 7.5718 7.5718 12.6324 12.6324 13.3660 13.3660 13.3665 13.3665 14.6408 14.6408 14.8891 14.8891 14.8982 14.8982 k = 0.3333 0.5774 0.6292 ( 4899 PWs) bands (ev): -10.0323 -10.0323 -10.0322 -10.0322 -7.9573 -7.9573 -7.3032 -7.3032 -7.3003 -7.3003 -6.3114 -6.3114 -6.3079 -6.3079 -6.1273 -6.1273 -1.6727 -1.6727 -0.8048 -0.8048 -0.8046 -0.8046 0.1793 0.1793 1.5660 1.5660 1.5687 1.5687 2.1372 2.1372 2.1375 2.1375 2.1739 2.1739 2.8119 2.8119 3.4978 3.4978 3.5955 3.5955 3.6005 3.6005 4.1177 4.1177 4.1190 4.1190 4.4769 4.4769 4.6840 4.6840 4.6894 4.6894 6.1150 6.1150 6.1197 6.1197 6.2620 6.2620 7.2154 7.2154 7.5677 7.5677 7.5716 7.5716 12.6142 12.6142 13.3149 13.3149 13.3152 13.3152 14.6364 14.6364 14.8594 14.8594 14.8675 14.8675 k = 0.3333 0.5774 0.6534 ( 4914 PWs) bands (ev): -10.0025 -10.0025 -10.0024 -10.0024 -7.9092 -7.9092 -7.2681 -7.2681 -7.2653 -7.2653 -6.2949 -6.2949 -6.2915 -6.2915 -6.1095 -6.1095 -1.6425 -1.6425 -0.8025 -0.8025 -0.8025 -0.8025 0.1666 0.1666 1.5000 1.5000 1.5029 1.5029 2.0568 2.0568 2.0570 2.0570 2.1304 2.1304 2.7733 2.7733 3.4133 3.4133 3.5629 3.5629 3.5680 3.5680 4.0726 4.0726 4.0742 4.0742 4.4264 4.4264 4.6622 4.6622 4.6681 4.6681 6.1253 6.1253 6.1299 6.1299 6.2892 6.2892 7.2224 7.2224 7.5665 7.5665 7.5704 7.5704 12.5985 12.5985 13.2636 13.2636 13.2638 13.2638 14.6260 14.6260 14.8203 14.8203 14.8276 14.8276 k = 0.3333 0.5774 0.6776 ( 4914 PWs) bands (ev): -9.9723 -9.9723 -9.9722 -9.9722 -7.8596 -7.8596 -7.2323 -7.2323 -7.2296 -7.2296 -6.2787 -6.2787 -6.2753 -6.2753 -6.0924 -6.0924 -1.6123 -1.6123 -0.8022 -0.8022 -0.8021 -0.8021 0.1520 0.1520 1.4358 1.4358 1.4389 1.4389 1.9753 1.9753 1.9753 1.9753 2.0820 2.0820 2.7413 2.7413 3.3322 3.3322 3.5272 3.5272 3.5324 3.5324 4.0296 4.0296 4.0313 4.0313 4.3755 4.3755 4.6465 4.6465 4.6528 4.6528 6.1365 6.1365 6.1411 6.1411 6.3169 6.3169 7.2285 7.2285 7.5644 7.5644 7.5682 7.5682 12.5852 12.5852 13.2127 13.2127 13.2129 13.2129 14.6103 14.6103 14.7745 14.7745 14.7810 14.7810 k = 0.3333 0.5774 0.7018 ( 4911 PWs) bands (ev): -9.9418 -9.9418 -9.9417 -9.9417 -7.8088 -7.8088 -7.1959 -7.1959 -7.1932 -7.1932 -6.2628 -6.2628 -6.2595 -6.2595 -6.0762 -6.0762 -1.5822 -1.5822 -0.8040 -0.8040 -0.8038 -0.8038 0.1353 0.1353 1.3737 1.3737 1.3771 1.3771 1.8929 1.8929 1.8932 1.8932 2.0302 2.0302 2.7142 2.7142 3.2553 3.2553 3.4881 3.4881 3.4933 3.4933 3.9893 3.9893 3.9910 3.9910 4.3243 4.3243 4.6362 4.6362 4.6428 4.6428 6.1487 6.1487 6.1533 6.1533 6.3451 6.3451 7.2337 7.2337 7.5611 7.5611 7.5649 7.5649 12.5747 12.5747 13.1626 13.1626 13.1626 13.1626 14.5900 14.5900 14.7241 14.7241 14.7298 14.7298 k = 0.3333 0.5774 0.7260 ( 4917 PWs) bands (ev): -9.9112 -9.9112 -9.9111 -9.9111 -7.7567 -7.7567 -7.1590 -7.1590 -7.1563 -7.1563 -6.2473 -6.2473 -6.2441 -6.2441 -6.0610 -6.0610 -1.5523 -1.5523 -0.8080 -0.8080 -0.8076 -0.8076 0.1166 0.1166 1.3141 1.3141 1.3176 1.3176 1.8106 1.8106 1.8111 1.8111 1.9762 1.9762 2.6900 2.6900 3.1838 3.1838 3.4456 3.4456 3.4507 3.4507 3.9524 3.9524 3.9539 3.9539 4.2727 4.2727 4.6305 4.6305 4.6374 4.6374 6.1619 6.1619 6.1664 6.1664 6.3737 6.3737 7.2380 7.2380 7.5567 7.5567 7.5605 7.5605 12.5669 12.5669 13.1134 13.1134 13.1135 13.1135 14.5658 14.5658 14.6707 14.6707 14.6757 14.6757 k = 0.3333 0.5774 0.7502 ( 4917 PWs) bands (ev): -9.8804 -9.8804 -9.8804 -9.8804 -7.7035 -7.7035 -7.1216 -7.1216 -7.1190 -7.1190 -6.2323 -6.2323 -6.2292 -6.2292 -6.0469 -6.0469 -1.5228 -1.5228 -0.8143 -0.8143 -0.8138 -0.8138 0.0958 0.0958 1.2572 1.2572 1.2609 1.2609 1.7288 1.7288 1.7296 1.7296 1.9215 1.9215 2.6665 2.6665 3.1191 3.1191 3.3999 3.3999 3.4047 3.4047 3.9191 3.9191 3.9204 3.9204 4.2208 4.2208 4.6288 4.6288 4.6359 4.6359 6.1760 6.1760 6.1804 6.1804 6.4028 6.4028 7.2413 7.2413 7.5512 7.5512 7.5549 7.5549 12.5621 12.5621 13.0656 13.0656 13.0658 13.0658 14.5382 14.5382 14.6155 14.6155 14.6199 14.6199 k = 0.3333 0.5774 0.7744 ( 4923 PWs) bands (ev): -9.8497 -9.8497 -9.8497 -9.8497 -7.6491 -7.6491 -7.0838 -7.0838 -7.0813 -7.0813 -6.2179 -6.2179 -6.2149 -6.2149 -6.0343 -6.0343 -1.4936 -1.4936 -0.8229 -0.8229 -0.8223 -0.8223 0.0730 0.0730 1.2031 1.2031 1.2068 1.2068 1.6482 1.6482 1.6492 1.6492 1.8670 1.8670 2.6419 2.6419 3.0624 3.0624 3.3513 3.3513 3.3559 3.3559 3.8894 3.8894 3.8904 3.8904 4.1686 4.1686 4.6304 4.6304 4.6376 4.6376 6.1910 6.1910 6.1954 6.1954 6.4321 6.4321 7.2437 7.2437 7.5444 7.5444 7.5480 7.5480 12.5603 12.5603 13.0194 13.0194 13.0197 13.0197 14.5075 14.5075 14.5595 14.5595 14.5633 14.5633 k = 0.3333 0.5774 0.7986 ( 4911 PWs) bands (ev): -9.8192 -9.8192 -9.8191 -9.8191 -7.5937 -7.5937 -7.0458 -7.0458 -7.0434 -7.0434 -6.2042 -6.2042 -6.2013 -6.2013 -6.0232 -6.0232 -1.4650 -1.4650 -0.8338 -0.8338 -0.8330 -0.8330 0.0483 0.0483 1.1517 1.1517 1.1555 1.1555 1.5694 1.5694 1.5708 1.5708 1.8138 1.8138 2.6142 2.6142 3.0151 3.0151 3.3008 3.3008 3.3050 3.3050 3.8631 3.8631 3.8637 3.8637 4.1164 4.1164 4.6347 4.6347 4.6420 4.6420 6.2071 6.2071 6.2113 6.2113 6.4617 6.4617 7.2452 7.2452 7.5364 7.5364 7.5399 7.5399 12.5616 12.5616 12.9749 12.9749 12.9753 12.9753 14.4740 14.4740 14.5035 14.5035 14.5069 14.5069 k = 0.3333 0.5774 0.8228 ( 4914 PWs) bands (ev): -9.7888 -9.7888 -9.7888 -9.7888 -7.5373 -7.5373 -7.0077 -7.0077 -7.0053 -7.0053 -6.1913 -6.1913 -6.1885 -6.1885 -6.0139 -6.0139 -1.4369 -1.4369 -0.8470 -0.8470 -0.8461 -0.8461 0.0216 0.0216 1.1027 1.1027 1.1066 1.1066 1.4932 1.4932 1.4949 1.4949 1.7626 1.7626 2.5822 2.5822 2.9777 2.9777 3.2488 3.2488 3.2528 3.2528 3.8397 3.8397 3.8400 3.8400 4.0641 4.0641 4.6411 4.6411 4.6485 4.6485 6.2241 6.2241 6.2282 6.2282 6.4915 6.4915 7.2456 7.2456 7.5271 7.5271 7.5306 7.5306 12.5660 12.5660 12.9324 12.9324 12.9329 12.9329 14.4376 14.4376 14.4482 14.4482 14.4512 14.4512 k = 0.3333 0.5774 0.8471 ( 4920 PWs) bands (ev): -9.7589 -9.7589 -9.7588 -9.7588 -7.4800 -7.4800 -6.9695 -6.9695 -6.9672 -6.9672 -6.1793 -6.1793 -6.1767 -6.1767 -6.0065 -6.0065 -1.4093 -1.4093 -0.8622 -0.8622 -0.8612 -0.8612 -0.0070 -0.0070 1.0559 1.0559 1.0597 1.0597 1.4203 1.4203 1.4223 1.4223 1.7140 1.7140 2.5456 2.5456 2.9503 2.9503 3.1964 3.1964 3.2001 3.2001 3.8187 3.8187 3.8188 3.8188 4.0119 4.0119 4.6491 4.6491 4.6566 4.6566 6.2422 6.2422 6.2461 6.2461 6.5214 6.5214 7.2450 7.2450 7.5165 7.5165 7.5199 7.5199 12.5734 12.5734 12.8919 12.8919 12.8925 12.8925 14.3940 14.3940 14.3956 14.3956 14.3995 14.3995 k = 0.3333 0.5774 0.8713 ( 4920 PWs) bands (ev): -9.7294 -9.7294 -9.7293 -9.7293 -7.4220 -7.4220 -6.9313 -6.9313 -6.9291 -6.9291 -6.1683 -6.1683 -6.1658 -6.1658 -6.0012 -6.0012 -1.3823 -1.3823 -0.8794 -0.8794 -0.8782 -0.8782 -0.0374 -0.0374 1.0106 1.0106 1.0143 1.0143 1.3516 1.3516 1.3540 1.3540 1.6687 1.6687 2.5049 2.5049 2.9320 2.9320 3.1443 3.1443 3.1477 3.1477 3.7994 3.7994 3.7998 3.7998 3.9600 3.9600 4.6585 4.6585 4.6660 4.6660 6.2613 6.2613 6.2650 6.2650 6.5514 6.5514 7.2434 7.2434 7.5046 7.5046 7.5079 7.5079 12.5840 12.5840 12.8536 12.8536 12.8544 12.8544 14.3414 14.3414 14.3432 14.3432 14.3569 14.3569 k = 0.3333 0.5774 0.8955 ( 4926 PWs) bands (ev): -9.7005 -9.7005 -9.7005 -9.7005 -7.3634 -7.3634 -6.8933 -6.8933 -6.8912 -6.8912 -6.1583 -6.1583 -6.1559 -6.1559 -5.9983 -5.9983 -1.3558 -1.3558 -0.8982 -0.8982 -0.8969 -0.8969 -0.0698 -0.0698 0.9661 0.9661 0.9696 0.9696 1.2880 1.2880 1.2910 1.2910 1.6271 1.6271 2.4613 2.4613 2.9212 2.9212 3.0931 3.0931 3.0963 3.0963 3.7818 3.7818 3.7825 3.7825 3.9085 3.9085 4.6687 4.6687 4.6763 4.6763 6.2814 6.2814 6.2849 6.2849 6.5814 6.5814 7.2407 7.2407 7.4915 7.4915 7.4946 7.4946 12.5976 12.5976 12.8176 12.8176 12.8184 12.8184 14.2908 14.2908 14.2923 14.2923 14.3114 14.3114 k = 0.3333 0.5774 0.9197 ( 4932 PWs) bands (ev): -9.6724 -9.6724 -9.6724 -9.6724 -7.3041 -7.3041 -6.8557 -6.8557 -6.8537 -6.8537 -6.1495 -6.1495 -6.1472 -6.1472 -5.9978 -5.9978 -1.3297 -1.3297 -0.9183 -0.9183 -0.9170 -0.9170 -0.1039 -0.1039 0.9217 0.9217 0.9249 0.9249 1.2305 1.2305 1.2339 1.2339 1.5899 1.5899 2.4158 2.4158 2.9165 2.9165 3.0433 3.0433 3.0463 3.0463 3.7656 3.7656 3.7665 3.7665 3.8575 3.8575 4.6796 4.6796 4.6871 4.6871 6.3024 6.3024 6.3057 6.3057 6.6113 6.6113 7.2370 7.2370 7.4770 7.4770 7.4800 7.4800 12.6143 12.6143 12.7839 12.7839 12.7848 12.7848 14.2424 14.2424 14.2435 14.2435 14.2622 14.2622 k = 0.3333 0.5774 0.9439 ( 4938 PWs) bands (ev): -9.6452 -9.6452 -9.6451 -9.6451 -7.2444 -7.2444 -6.8184 -6.8184 -6.8165 -6.8165 -6.1418 -6.1418 -6.1397 -6.1397 -6.0000 -6.0000 -1.3039 -1.3039 -0.9395 -0.9395 -0.9381 -0.9381 -0.1399 -0.1399 0.8767 0.8767 0.8797 0.8797 1.1796 1.1796 1.1835 1.1835 1.5574 1.5574 2.3692 2.3692 2.9167 2.9167 2.9956 2.9956 2.9984 2.9984 3.7504 3.7504 3.7515 3.7515 3.8073 3.8073 4.6908 4.6908 4.6983 4.6983 6.3244 6.3244 6.3275 6.3275 6.6411 6.6411 7.2322 7.2322 7.4614 7.4614 7.4642 7.4642 12.6339 12.6339 12.7525 12.7525 12.7535 12.7535 14.1966 14.1966 14.1970 14.1970 14.2093 14.2093 k = 0.3333 0.5774 0.9681 ( 4926 PWs) bands (ev): -9.6189 -9.6189 -9.6188 -9.6188 -7.1844 -7.1844 -6.7818 -6.7818 -6.7800 -6.7800 -6.1355 -6.1355 -6.1335 -6.1335 -6.0049 -6.0049 -1.2781 -1.2781 -0.9613 -0.9613 -0.9599 -0.9599 -0.1778 -0.1778 0.8309 0.8309 0.8336 0.8336 1.1357 1.1357 1.1401 1.1401 1.5299 1.5299 2.3221 2.3221 2.9209 2.9209 2.9502 2.9502 2.9529 2.9529 3.7361 3.7361 3.7374 3.7374 3.7579 3.7579 4.7021 4.7021 4.7096 4.7096 6.3473 6.3473 6.3501 6.3501 6.6707 6.6707 7.2263 7.2263 7.4446 7.4446 7.4472 7.4472 12.6564 12.6564 12.7237 12.7237 12.7245 12.7245 14.1493 14.1493 14.1534 14.1534 14.1564 14.1564 k = 0.3333 0.5774 0.9923 ( 4926 PWs) bands (ev): -9.5937 -9.5937 -9.5937 -9.5937 -7.1241 -7.1241 -6.7458 -6.7458 -6.7442 -6.7442 -6.1304 -6.1304 -6.1286 -6.1286 -6.0127 -6.0127 -1.2523 -1.2523 -0.9834 -0.9834 -0.9819 -0.9819 -0.2174 -0.2174 0.7845 0.7845 0.7869 0.7869 1.0986 1.0986 1.1035 1.1035 1.5079 1.5079 2.2750 2.2750 2.9076 2.9076 2.9101 2.9101 2.9284 2.9284 3.7094 3.7094 3.7226 3.7226 3.7241 3.7241 4.7133 4.7133 4.7208 4.7208 6.3710 6.3710 6.3735 6.3735 6.7000 6.7000 7.2194 7.2194 7.4267 7.4267 7.4292 7.4292 12.6804 12.6804 12.6979 12.6979 12.6984 12.6984 14.0900 14.0900 14.1131 14.1131 14.1143 14.1143 k = 0.3333 0.5774 1.0165 ( 4926 PWs) bands (ev): -9.5698 -9.5698 -9.5697 -9.5697 -7.0638 -7.0638 -6.7108 -6.7108 -6.7092 -6.7092 -6.1266 -6.1266 -6.1250 -6.1250 -6.0235 -6.0235 -1.2262 -1.2262 -1.0055 -1.0055 -1.0040 -1.0040 -0.2589 -0.2589 0.7380 0.7380 0.7402 0.7402 1.0677 1.0677 1.0729 1.0729 1.4916 1.4916 2.2279 2.2279 2.8679 2.8679 2.8703 2.8703 2.9385 2.9385 3.6621 3.6621 3.7097 3.7097 3.7113 3.7113 4.7242 4.7242 4.7317 4.7317 6.3953 6.3953 6.3975 6.3975 6.7291 6.7291 7.2114 7.2114 7.4079 7.4079 7.4102 7.4102 12.6712 12.6712 12.6735 12.6735 12.7114 12.7114 14.0262 14.0262 14.0758 14.0758 14.0766 14.0766 k = 0.3333 0.5774 1.0407 ( 4935 PWs) bands (ev): -9.5473 -9.5473 -9.5472 -9.5472 -7.0036 -7.0036 -6.6768 -6.6768 -6.6754 -6.6754 -6.1242 -6.1242 -6.1227 -6.1227 -6.0374 -6.0374 -1.1996 -1.1996 -1.0271 -1.0271 -1.0256 -1.0256 -0.3019 -0.3019 0.6921 0.6921 0.6942 0.6942 1.0422 1.0422 1.0477 1.0477 1.4810 1.4810 2.1810 2.1810 2.8313 2.8313 2.8336 2.8336 2.9509 2.9509 3.6160 3.6160 3.6975 3.6975 3.6992 3.6992 4.7347 4.7347 4.7422 4.7422 6.4200 6.4200 6.4219 6.4219 6.7577 6.7577 7.2023 7.2023 7.3884 7.3884 7.3904 7.3904 12.6494 12.6494 12.6515 12.6515 12.7420 12.7420 13.9600 13.9600 14.0416 14.0416 14.0421 14.0421 k = 0.3333 0.5774 1.0649 ( 4929 PWs) bands (ev): -9.5262 -9.5262 -9.5261 -9.5261 -6.9435 -6.9435 -6.6441 -6.6441 -6.6428 -6.6428 -6.1231 -6.1231 -6.1218 -6.1218 -6.0545 -6.0545 -1.1722 -1.1722 -1.0480 -1.0480 -1.0464 -1.0464 -0.3465 -0.3465 0.6478 0.6478 0.6498 0.6498 1.0213 1.0213 1.0269 1.0269 1.4761 1.4761 2.1342 2.1342 2.7980 2.7980 2.8002 2.8002 2.9655 2.9655 3.5712 3.5712 3.6860 3.6860 3.6878 3.6878 4.7446 4.7446 4.7522 4.7522 6.4450 6.4450 6.4466 6.4466 6.7860 6.7860 7.1922 7.1922 7.3682 7.3682 7.3701 7.3701 12.6296 12.6296 12.6316 12.6316 12.7756 12.7756 13.8923 13.8923 14.0104 14.0104 14.0107 14.0107 k = 0.3333 0.5774 1.0891 ( 4917 PWs) bands (ev): -9.5067 -9.5067 -9.5067 -9.5067 -6.8839 -6.8839 -6.6128 -6.6128 -6.6116 -6.6116 -6.1232 -6.1232 -6.1220 -6.1220 -6.0747 -6.0747 -1.1437 -1.1437 -1.0678 -1.0678 -1.0662 -1.0662 -0.3923 -0.3923 0.6058 0.6058 0.6078 0.6078 1.0040 1.0040 1.0099 1.0099 1.4769 1.4769 2.0877 2.0877 2.7681 2.7681 2.7701 2.7701 2.9819 2.9819 3.5277 3.5277 3.6752 3.6752 3.6770 3.6770 4.7539 4.7539 4.7614 4.7614 6.4699 6.4699 6.4712 6.4712 6.8138 6.8138 7.1810 7.1810 7.3478 7.3478 7.3494 7.3494 12.6118 12.6118 12.6139 12.6139 12.8118 12.8118 13.8238 13.8238 13.9824 13.9824 13.9826 13.9826 k = 0.3333 0.5774 1.1133 ( 4926 PWs) bands (ev): -9.4890 -9.4890 -9.4890 -9.4890 -6.8248 -6.8248 -6.5832 -6.5832 -6.5822 -6.5822 -6.1246 -6.1246 -6.1234 -6.1234 -6.0980 -6.0980 -1.1141 -1.1141 -1.0863 -1.0863 -1.0847 -1.0847 -0.4393 -0.4393 0.5668 0.5668 0.5687 0.5687 0.9899 0.9899 0.9958 0.9958 1.4833 1.4833 2.0413 2.0413 2.7414 2.7414 2.7434 2.7434 3.0001 3.0001 3.4856 3.4856 3.6651 3.6651 3.6671 3.6671 4.7625 4.7625 4.7699 4.7699 6.4945 6.4945 6.4955 6.4955 6.8410 6.8410 7.1687 7.1687 7.3274 7.3274 7.3287 7.3287 12.5962 12.5962 12.5983 12.5983 12.8505 12.8505 13.7550 13.7550 13.9575 13.9575 13.9575 13.9575 k = 0.3333 0.5774 1.1375 ( 4932 PWs) bands (ev): -9.4731 -9.4731 -9.4730 -9.4730 -6.7664 -6.7664 -6.5557 -6.5557 -6.5548 -6.5548 -6.1288 -6.1288 -6.1259 -6.1259 -6.1226 -6.1226 -1.1032 -1.1032 -1.1016 -1.1016 -1.0829 -1.0829 -0.4870 -0.4870 0.5313 0.5313 0.5332 0.5332 0.9782 0.9782 0.9842 0.9842 1.4949 1.4949 1.9952 1.9952 2.7182 2.7182 2.7201 2.7201 3.0199 3.0199 3.4449 3.4449 3.6560 3.6560 3.6579 3.6579 4.7701 4.7701 4.7776 4.7776 6.5183 6.5183 6.5189 6.5189 6.8676 6.8676 7.1553 7.1553 7.3073 7.3073 7.3084 7.3084 12.5825 12.5825 12.5847 12.5847 12.8916 12.8916 13.6866 13.6866 13.9357 13.9357 13.9358 13.9358 k = 0.3333 0.5774 1.1617 ( 4926 PWs) bands (ev): -9.4591 -9.4591 -9.4590 -9.4590 -6.7089 -6.7089 -6.5304 -6.5304 -6.5297 -6.5297 -6.1549 -6.1549 -6.1292 -6.1292 -6.1291 -6.1291 -1.1183 -1.1183 -1.1166 -1.1166 -1.0503 -1.0503 -0.5352 -0.5352 0.4998 0.4998 0.5017 0.5017 0.9688 0.9688 0.9748 0.9748 1.5114 1.5114 1.9494 1.9494 2.6983 2.6983 2.7001 2.7001 3.0413 3.0413 3.4056 3.4056 3.6477 3.6477 3.6497 3.6497 4.7769 4.7769 4.7844 4.7844 6.5408 6.5408 6.5412 6.5412 6.8935 6.8935 7.1409 7.1409 7.2881 7.2881 7.2890 7.2890 12.5708 12.5708 12.5731 12.5731 12.9351 12.9351 13.6190 13.6190 13.9169 13.9169 13.9171 13.9171 k = 0.3333 0.5774 1.1859 ( 4935 PWs) bands (ev): -9.4471 -9.4471 -9.4470 -9.4470 -6.6524 -6.6524 -6.5078 -6.5078 -6.5073 -6.5073 -6.1875 -6.1875 -6.1329 -6.1329 -6.1328 -6.1328 -1.1313 -1.1313 -1.1297 -1.1297 -1.0159 -1.0159 -0.5836 -0.5836 0.4726 0.4726 0.4745 0.4745 0.9612 0.9612 0.9673 0.9673 1.5325 1.5325 1.9041 1.9041 2.6815 2.6815 2.6834 2.6834 3.0642 3.0642 3.3678 3.3678 3.6406 3.6406 3.6426 3.6426 4.7827 4.7827 4.7902 4.7902 6.5616 6.5616 6.5616 6.5616 6.9188 6.9188 7.1255 7.1255 7.2703 7.2703 7.2709 7.2709 12.5611 12.5611 12.5634 12.5634 12.9809 12.9809 13.5524 13.5524 13.9011 13.9011 13.9014 13.9014 k = 0.3333 0.5774 1.2101 ( 4920 PWs) bands (ev): -9.4372 -9.4372 -9.4371 -9.4371 -6.5972 -6.5972 -6.4884 -6.4884 -6.4880 -6.4880 -6.2231 -6.2231 -6.1368 -6.1368 -6.1367 -6.1367 -1.1422 -1.1422 -1.1405 -1.1405 -0.9797 -0.9797 -0.6318 -0.6318 0.4500 0.4500 0.4519 0.4519 0.9552 0.9552 0.9613 0.9613 1.5577 1.5577 1.8593 1.8593 2.6681 2.6681 2.6698 2.6698 3.0884 3.0884 3.3313 3.3313 3.6346 3.6346 3.6366 3.6366 4.7876 4.7876 4.7950 4.7950 6.5796 6.5796 6.5799 6.5799 6.9434 6.9434 7.1091 7.1091 7.2544 7.2544 7.2548 7.2548 12.5532 12.5532 12.5555 12.5555 13.0290 13.0290 13.4871 13.4871 13.8883 13.8883 13.8887 13.8887 k = 0.3333 0.5774 1.2343 ( 4932 PWs) bands (ev): -9.4294 -9.4294 -9.4293 -9.4293 -6.5434 -6.5434 -6.4725 -6.4725 -6.4722 -6.4722 -6.2616 -6.2616 -6.1405 -6.1405 -6.1404 -6.1404 -1.1508 -1.1508 -1.1491 -1.1491 -0.9416 -0.9416 -0.6795 -0.6795 0.4322 0.4322 0.4341 0.4341 0.9507 0.9507 0.9568 0.9568 1.5866 1.5866 1.8155 1.8155 2.6576 2.6576 2.6594 2.6594 3.1140 3.1140 3.2963 3.2963 3.6298 3.6298 3.6318 3.6318 4.7914 4.7914 4.7988 4.7988 6.5946 6.5946 6.5951 6.5951 6.9672 6.9672 7.0916 7.0916 7.2411 7.2411 7.2413 7.2413 12.5471 12.5471 12.5495 12.5495 13.0792 13.0792 13.4233 13.4233 13.8785 13.8785 13.8788 13.8788 k = 0.3333 0.5774 1.2585 ( 4926 PWs) bands (ev): -9.4238 -9.4238 -9.4237 -9.4237 -6.4913 -6.4913 -6.4607 -6.4607 -6.4605 -6.4605 -6.3028 -6.3028 -6.1436 -6.1436 -6.1433 -6.1433 -1.1570 -1.1570 -1.1553 -1.1553 -0.9018 -0.9018 -0.7265 -0.7265 0.4194 0.4194 0.4213 0.4213 0.9475 0.9475 0.9537 0.9537 1.6189 1.6189 1.7727 1.7727 2.6503 2.6503 2.6520 2.6520 3.1410 3.1410 3.2626 3.2626 3.6263 3.6263 3.6283 3.6283 4.7941 4.7941 4.8015 4.8015 6.6059 6.6059 6.6065 6.6065 6.9901 6.9901 7.0732 7.0732 7.2311 7.2311 7.2311 7.2311 12.5428 12.5428 12.5452 12.5452 13.1316 13.1316 13.3612 13.3612 13.8715 13.8715 13.8719 13.8719 k = 0.3333 0.5774 1.2827 ( 4920 PWs) bands (ev): -9.4204 -9.4204 -9.4204 -9.4204 -6.4535 -6.4535 -6.4534 -6.4534 -6.4408 -6.4408 -6.3465 -6.3465 -6.1456 -6.1456 -6.1453 -6.1453 -1.1607 -1.1607 -1.1590 -1.1590 -0.8603 -0.8603 -0.7724 -0.7724 0.4116 0.4116 0.4136 0.4136 0.9457 0.9457 0.9518 0.9518 1.6539 1.6539 1.7313 1.7313 2.6458 2.6458 2.6475 2.6475 3.1693 3.1693 3.2304 3.2304 3.6242 3.6242 3.6263 3.6263 4.7958 4.7958 4.8031 4.8031 6.6129 6.6129 6.6137 6.6137 7.0123 7.0123 7.0538 7.0538 7.2247 7.2247 7.2248 7.2248 12.5402 12.5402 12.5426 12.5426 13.1861 13.1861 13.3010 13.3010 13.8673 13.8673 13.8677 13.8677 k = 0.3333 0.5774 1.3069 ( 4926 PWs) bands (ev): -9.4193 -9.4193 -9.4192 -9.4192 -6.4509 -6.4509 -6.4509 -6.4509 -6.3927 -6.3927 -6.3926 -6.3926 -6.1463 -6.1463 -6.1460 -6.1460 -1.1620 -1.1620 -1.1603 -1.1603 -0.8171 -0.8171 -0.8170 -0.8170 0.4090 0.4090 0.4110 0.4110 0.9451 0.9451 0.9512 0.9512 1.6893 1.6893 1.6938 1.6938 2.6444 2.6444 2.6461 2.6461 3.1953 3.1953 3.2031 3.2031 3.6235 3.6235 3.6255 3.6255 4.7963 4.7963 4.8037 4.8037 6.6153 6.6153 6.6161 6.6161 7.0329 7.0329 7.0341 7.0341 7.2225 7.2225 7.2226 7.2226 12.5393 12.5393 12.5418 12.5418 13.2415 13.2415 13.2435 13.2435 13.8659 13.8659 13.8663 13.8663 Writing output data file Si3N4.save init_run : 0.28s CPU 0.54s WALL ( 1 calls) electrons : 367.20s CPU 371.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 367.20s CPU 371.71s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.13s WALL ( 303 calls) cegterg : 338.56s CPU 342.11s WALL ( 597 calls) Called by sum_band: Called by *egterg: h_psi : 178.47s CPU 180.60s WALL ( 9888 calls) s_psi : 17.85s CPU 18.03s WALL ( 9888 calls) g_psi : 0.40s CPU 0.41s WALL ( 8988 calls) cdiaghg : 129.21s CPU 130.70s WALL ( 9291 calls) cegterg:over : 13.83s CPU 13.88s WALL ( 8988 calls) cegterg:upda : 12.10s CPU 12.05s WALL ( 8988 calls) cegterg:last : 5.17s CPU 5.12s WALL ( 1203 calls) cdiaghg:chol : 7.68s CPU 7.59s WALL ( 9291 calls) cdiaghg:inve : 5.39s CPU 5.56s WALL ( 9291 calls) cdiaghg:para : 9.72s CPU 9.73s WALL ( 18582 calls) Called by h_psi: h_psi:vloc : 136.85s CPU 138.88s WALL ( 9888 calls) h_psi:vnl : 41.08s CPU 41.23s WALL ( 9888 calls) add_vuspsi : 21.86s CPU 21.86s WALL ( 9888 calls) General routines calbec : 19.17s CPU 19.33s WALL ( 9888 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.82s CPU 129.83s WALL ( 1226092 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.53s WALL ( 606 calls) Parallel routines fft_scatter : 43.61s CPU 44.56s WALL ( 1226115 calls) PWSCF : 6m29.07s CPU 6m48.57s WALL This run was terminated on: 21: 1:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=