Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:44: 3 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: ./MgO.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 20 5 1088 516 81 Max 33 21 6 1097 526 88 Sum 1165 721 211 39255 18747 3063 bravais-lattice index = 14 lattice parameter (alat) = 6.6554 a.u. unit-cell volume = 307.0481 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.655426 celldm(2)= 1.000000 celldm(3)= 1.202675 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.202675 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.831480 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 O 6.00 15.99940 O( 1.00) Mg 10.00 24.30500 Mg( 1.00) 24 Sym. Ops., with inversion, found (12 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 ) ( -0.6013373 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6013373 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6013373 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6013373 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -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 ) ( -0.6013373 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -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 ) ( -0.6013373 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6013373 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6013373 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6013373 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6013373 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6013373 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6013373 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 407 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0096154 0.0055514 -0.0000000), wk = 0.0024570 k( 3) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0024570 k( 4) = ( 0.0288462 0.0166543 -0.0000000), wk = 0.0024570 k( 5) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0024570 k( 6) = ( 0.0480769 0.0277572 -0.0000000), wk = 0.0024570 k( 7) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0024570 k( 8) = ( 0.0673077 0.0388601 -0.0000000), wk = 0.0024570 k( 9) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0024570 k( 10) = ( 0.0865385 0.0499630 -0.0000000), wk = 0.0024570 k( 11) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0024570 k( 12) = ( 0.1057692 0.0610659 -0.0000000), wk = 0.0024570 k( 13) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0024570 k( 14) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0024570 k( 15) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0024570 k( 16) = ( 0.1442308 0.0832717 -0.0000000), wk = 0.0024570 k( 17) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0024570 k( 18) = ( 0.1634615 0.0943746 -0.0000000), wk = 0.0024570 k( 19) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0024570 k( 20) = ( 0.1826923 0.1054775 -0.0000000), wk = 0.0024570 k( 21) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0024570 k( 22) = ( 0.2019231 0.1165803 -0.0000000), wk = 0.0024570 k( 23) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0024570 k( 24) = ( 0.2211539 0.1276832 -0.0000000), wk = 0.0024570 k( 25) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0024570 k( 26) = ( 0.2403846 0.1387861 -0.0000000), wk = 0.0024570 k( 27) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0024570 k( 28) = ( 0.2596154 0.1498890 -0.0000000), wk = 0.0024570 k( 29) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0024570 k( 30) = ( 0.2788462 0.1609919 -0.0000000), wk = 0.0024570 k( 31) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0024570 k( 32) = ( 0.2980769 0.1720948 -0.0000000), wk = 0.0024570 k( 33) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0024570 k( 34) = ( 0.3173077 0.1831977 -0.0000000), wk = 0.0024570 k( 35) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0024570 k( 36) = ( 0.3365385 0.1943006 -0.0000000), wk = 0.0024570 k( 37) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0024570 k( 38) = ( 0.3557692 0.2054035 -0.0000000), wk = 0.0024570 k( 39) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0024570 k( 40) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0024570 k( 41) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0024570 k( 42) = ( 0.3942308 0.2276092 -0.0000000), wk = 0.0024570 k( 43) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0024570 k( 44) = ( 0.4134615 0.2387121 -0.0000000), wk = 0.0024570 k( 45) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0024570 k( 46) = ( 0.4326923 0.2498150 -0.0000000), wk = 0.0024570 k( 47) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0024570 k( 48) = ( 0.4519231 0.2609179 -0.0000000), wk = 0.0024570 k( 49) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0024570 k( 50) = ( 0.4711538 0.2720208 -0.0000000), wk = 0.0024570 k( 51) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0024570 k( 52) = ( 0.4903846 0.2831237 -0.0000000), wk = 0.0024570 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024570 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024570 k( 55) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0024570 k( 56) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0024570 k( 57) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0024570 k( 58) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0024570 k( 59) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0024570 k( 60) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0024570 k( 61) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0024570 k( 62) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0024570 k( 63) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0024570 k( 64) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0024570 k( 65) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0024570 k( 66) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0024570 k( 67) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0024570 k( 68) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0024570 k( 69) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0024570 k( 70) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0024570 k( 71) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0024570 k( 72) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0024570 k( 73) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0024570 k( 74) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0024570 k( 75) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0024570 k( 76) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0024570 k( 77) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0024570 k( 78) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0024570 k( 79) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0024570 k( 80) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0024570 k( 81) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0024570 k( 82) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0024570 k( 83) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0024570 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024570 k( 85) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024570 k( 86) = ( 0.3277778 0.5677278 -0.0000000), wk = 0.0024570 k( 87) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0024570 k( 88) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0024570 k( 89) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0024570 k( 90) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0024570 k( 92) = ( 0.2944444 0.5099927 -0.0000000), wk = 0.0024570 k( 93) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0024570 k( 94) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0024570 k( 95) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0024570 k( 96) = ( 0.2722222 0.4715027 -0.0000000), wk = 0.0024570 k( 97) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0024570 k( 98) = ( 0.2611111 0.4522577 -0.0000000), wk = 0.0024570 k( 99) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0024570 k( 100) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0024570 k( 101) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0024570 k( 102) = ( 0.2388889 0.4137677 -0.0000000), wk = 0.0024570 k( 103) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0024570 k( 104) = ( 0.2277778 0.3945227 -0.0000000), wk = 0.0024570 k( 105) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0024570 k( 106) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0024570 k( 107) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0024570 k( 108) = ( 0.2055556 0.3560327 -0.0000000), wk = 0.0024570 k( 109) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0024570 k( 110) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0024570 k( 111) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0024570 k( 112) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0024570 k( 113) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0024570 k( 114) = ( 0.1722222 0.2982976 -0.0000000), wk = 0.0024570 k( 115) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0024570 k( 116) = ( 0.1611111 0.2790526 -0.0000000), wk = 0.0024570 k( 117) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0024570 k( 118) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0024570 k( 119) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0024570 k( 120) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0024570 k( 121) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0024570 k( 122) = ( 0.1277778 0.2213176 -0.0000000), wk = 0.0024570 k( 123) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0024570 k( 124) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0024570 k( 125) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0024570 k( 126) = ( 0.1055556 0.1828276 -0.0000000), wk = 0.0024570 k( 127) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0024570 k( 128) = ( 0.0944444 0.1635826 -0.0000000), wk = 0.0024570 k( 129) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0024570 k( 130) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0024570 k( 131) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0024570 k( 132) = ( 0.0722222 0.1250926 -0.0000000), wk = 0.0024570 k( 133) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0024570 k( 134) = ( 0.0611111 0.1058475 -0.0000000), wk = 0.0024570 k( 135) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0024570 k( 136) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0024570 k( 137) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0024570 k( 138) = ( 0.0388889 0.0673575 -0.0000000), wk = 0.0024570 k( 139) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0024570 k( 140) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0024570 k( 141) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0024570 k( 142) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0024570 k( 143) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0024570 k( 144) = ( 0.0055556 0.0096225 -0.0000000), wk = 0.0024570 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 147) = ( 0.0000000 0.0000000 0.0109405), wk = 0.0024570 k( 148) = ( 0.0000000 0.0000000 0.0218811), wk = 0.0024570 k( 149) = ( 0.0000000 0.0000000 0.0328216), wk = 0.0024570 k( 150) = ( 0.0000000 0.0000000 0.0437621), wk = 0.0024570 k( 151) = ( 0.0000000 0.0000000 0.0547026), wk = 0.0024570 k( 152) = ( 0.0000000 0.0000000 0.0656432), wk = 0.0024570 k( 153) = ( 0.0000000 0.0000000 0.0765837), wk = 0.0024570 k( 154) = ( 0.0000000 0.0000000 0.0875242), wk = 0.0024570 k( 155) = ( 0.0000000 0.0000000 0.0984647), wk = 0.0024570 k( 156) = ( 0.0000000 0.0000000 0.1094053), wk = 0.0024570 k( 157) = ( 0.0000000 0.0000000 0.1203458), wk = 0.0024570 k( 158) = ( 0.0000000 0.0000000 0.1312863), wk = 0.0024570 k( 159) = ( 0.0000000 0.0000000 0.1422268), wk = 0.0024570 k( 160) = ( 0.0000000 0.0000000 0.1531674), wk = 0.0024570 k( 161) = ( 0.0000000 0.0000000 0.1641079), wk = 0.0024570 k( 162) = ( 0.0000000 0.0000000 0.1750484), wk = 0.0024570 k( 163) = ( 0.0000000 0.0000000 0.1859890), wk = 0.0024570 k( 164) = ( 0.0000000 0.0000000 0.1969295), wk = 0.0024570 k( 165) = ( 0.0000000 0.0000000 0.2078700), wk = 0.0024570 k( 166) = ( 0.0000000 0.0000000 0.2188105), wk = 0.0024570 k( 167) = ( 0.0000000 0.0000000 0.2297511), wk = 0.0024570 k( 168) = ( 0.0000000 0.0000000 0.2406916), wk = 0.0024570 k( 169) = ( 0.0000000 0.0000000 0.2516321), wk = 0.0024570 k( 170) = ( 0.0000000 0.0000000 0.2625726), wk = 0.0024570 k( 171) = ( 0.0000000 0.0000000 0.2735132), wk = 0.0024570 k( 172) = ( 0.0000000 0.0000000 0.2844537), wk = 0.0024570 k( 173) = ( 0.0000000 0.0000000 0.2953942), wk = 0.0024570 k( 174) = ( 0.0000000 0.0000000 0.3063347), wk = 0.0024570 k( 175) = ( 0.0000000 0.0000000 0.3172753), wk = 0.0024570 k( 176) = ( 0.0000000 0.0000000 0.3282158), wk = 0.0024570 k( 177) = ( 0.0000000 0.0000000 0.3391563), wk = 0.0024570 k( 178) = ( 0.0000000 0.0000000 0.3500969), wk = 0.0024570 k( 179) = ( 0.0000000 0.0000000 0.3610374), wk = 0.0024570 k( 180) = ( 0.0000000 0.0000000 0.3719779), wk = 0.0024570 k( 181) = ( 0.0000000 0.0000000 0.3829184), wk = 0.0024570 k( 182) = ( 0.0000000 0.0000000 0.3938590), wk = 0.0024570 k( 183) = ( 0.0000000 0.0000000 0.4047995), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.4157400), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.4157400), wk = 0.0024570 k( 186) = ( 0.0096154 0.0055514 0.4157400), wk = 0.0024570 k( 187) = ( 0.0192308 0.0111029 0.4157400), wk = 0.0024570 k( 188) = ( 0.0288462 0.0166543 0.4157400), wk = 0.0024570 k( 189) = ( 0.0384615 0.0222058 0.4157400), wk = 0.0024570 k( 190) = ( 0.0480769 0.0277572 0.4157400), wk = 0.0024570 k( 191) = ( 0.0576923 0.0333087 0.4157400), wk = 0.0024570 k( 192) = ( 0.0673077 0.0388601 0.4157400), wk = 0.0024570 k( 193) = ( 0.0769231 0.0444116 0.4157400), wk = 0.0024570 k( 194) = ( 0.0865385 0.0499630 0.4157400), wk = 0.0024570 k( 195) = ( 0.0961538 0.0555145 0.4157400), wk = 0.0024570 k( 196) = ( 0.1057692 0.0610659 0.4157400), wk = 0.0024570 k( 197) = ( 0.1153846 0.0666173 0.4157400), wk = 0.0024570 k( 198) = ( 0.1250000 0.0721688 0.4157400), wk = 0.0024570 k( 199) = ( 0.1346154 0.0777202 0.4157400), wk = 0.0024570 k( 200) = ( 0.1442308 0.0832717 0.4157400), wk = 0.0024570 k( 201) = ( 0.1538461 0.0888231 0.4157400), wk = 0.0024570 k( 202) = ( 0.1634615 0.0943746 0.4157400), wk = 0.0024570 k( 203) = ( 0.1730769 0.0999260 0.4157400), wk = 0.0024570 k( 204) = ( 0.1826923 0.1054775 0.4157400), wk = 0.0024570 k( 205) = ( 0.1923077 0.1110289 0.4157400), wk = 0.0024570 k( 206) = ( 0.2019231 0.1165803 0.4157400), wk = 0.0024570 k( 207) = ( 0.2115385 0.1221318 0.4157400), wk = 0.0024570 k( 208) = ( 0.2211539 0.1276832 0.4157400), wk = 0.0024570 k( 209) = ( 0.2307692 0.1332347 0.4157400), wk = 0.0024570 k( 210) = ( 0.2403846 0.1387861 0.4157400), wk = 0.0024570 k( 211) = ( 0.2500000 0.1443376 0.4157400), wk = 0.0024570 k( 212) = ( 0.2596154 0.1498890 0.4157400), wk = 0.0024570 k( 213) = ( 0.2692308 0.1554405 0.4157400), wk = 0.0024570 k( 214) = ( 0.2788462 0.1609919 0.4157400), wk = 0.0024570 k( 215) = ( 0.2884615 0.1665433 0.4157400), wk = 0.0024570 k( 216) = ( 0.2980769 0.1720948 0.4157400), wk = 0.0024570 k( 217) = ( 0.3076923 0.1776462 0.4157400), wk = 0.0024570 k( 218) = ( 0.3173077 0.1831977 0.4157400), wk = 0.0024570 k( 219) = ( 0.3269231 0.1887491 0.4157400), wk = 0.0024570 k( 220) = ( 0.3365385 0.1943006 0.4157400), wk = 0.0024570 k( 221) = ( 0.3461538 0.1998520 0.4157400), wk = 0.0024570 k( 222) = ( 0.3557692 0.2054035 0.4157400), wk = 0.0024570 k( 223) = ( 0.3653846 0.2109549 0.4157400), wk = 0.0024570 k( 224) = ( 0.3750000 0.2165064 0.4157400), wk = 0.0024570 k( 225) = ( 0.3846154 0.2220578 0.4157400), wk = 0.0024570 k( 226) = ( 0.3942308 0.2276092 0.4157400), wk = 0.0024570 k( 227) = ( 0.4038462 0.2331607 0.4157400), wk = 0.0024570 k( 228) = ( 0.4134615 0.2387121 0.4157400), wk = 0.0024570 k( 229) = ( 0.4230769 0.2442636 0.4157400), wk = 0.0024570 k( 230) = ( 0.4326923 0.2498150 0.4157400), wk = 0.0024570 k( 231) = ( 0.4423077 0.2553665 0.4157400), wk = 0.0024570 k( 232) = ( 0.4519231 0.2609179 0.4157400), wk = 0.0024570 k( 233) = ( 0.4615385 0.2664694 0.4157400), wk = 0.0024570 k( 234) = ( 0.4711538 0.2720208 0.4157400), wk = 0.0024570 k( 235) = ( 0.4807692 0.2775722 0.4157400), wk = 0.0024570 k( 236) = ( 0.4903846 0.2831237 0.4157400), wk = 0.0024570 k( 237) = ( 0.5000000 0.2886751 0.4157400), wk = 0.0024570 k( 238) = ( 0.5000000 0.2886751 0.4157400), wk = 0.0024570 k( 239) = ( 0.4944444 0.2982976 0.4157400), wk = 0.0024570 k( 240) = ( 0.4888889 0.3079201 0.4157400), wk = 0.0024570 k( 241) = ( 0.4833333 0.3175426 0.4157400), wk = 0.0024570 k( 242) = ( 0.4777778 0.3271651 0.4157400), wk = 0.0024570 k( 243) = ( 0.4722222 0.3367877 0.4157400), wk = 0.0024570 k( 244) = ( 0.4666667 0.3464102 0.4157400), wk = 0.0024570 k( 245) = ( 0.4611111 0.3560327 0.4157400), wk = 0.0024570 k( 246) = ( 0.4555556 0.3656552 0.4157400), wk = 0.0024570 k( 247) = ( 0.4500000 0.3752777 0.4157400), wk = 0.0024570 k( 248) = ( 0.4444444 0.3849002 0.4157400), wk = 0.0024570 k( 249) = ( 0.4388889 0.3945227 0.4157400), wk = 0.0024570 k( 250) = ( 0.4333333 0.4041452 0.4157400), wk = 0.0024570 k( 251) = ( 0.4277778 0.4137677 0.4157400), wk = 0.0024570 k( 252) = ( 0.4222222 0.4233902 0.4157400), wk = 0.0024570 k( 253) = ( 0.4166667 0.4330127 0.4157400), wk = 0.0024570 k( 254) = ( 0.4111111 0.4426352 0.4157400), wk = 0.0024570 k( 255) = ( 0.4055556 0.4522577 0.4157400), wk = 0.0024570 k( 256) = ( 0.4000000 0.4618802 0.4157400), wk = 0.0024570 k( 257) = ( 0.3944444 0.4715027 0.4157400), wk = 0.0024570 k( 258) = ( 0.3888889 0.4811252 0.4157400), wk = 0.0024570 k( 259) = ( 0.3833333 0.4907477 0.4157400), wk = 0.0024570 k( 260) = ( 0.3777778 0.5003702 0.4157400), wk = 0.0024570 k( 261) = ( 0.3722222 0.5099927 0.4157400), wk = 0.0024570 k( 262) = ( 0.3666667 0.5196152 0.4157400), wk = 0.0024570 k( 263) = ( 0.3611111 0.5292377 0.4157400), wk = 0.0024570 k( 264) = ( 0.3555556 0.5388603 0.4157400), wk = 0.0024570 k( 265) = ( 0.3500000 0.5484828 0.4157400), wk = 0.0024570 k( 266) = ( 0.3444444 0.5581053 0.4157400), wk = 0.0024570 k( 267) = ( 0.3388889 0.5677278 0.4157400), wk = 0.0024570 k( 268) = ( 0.3333333 0.5773503 0.4157400), wk = 0.0024570 k( 269) = ( 0.3333333 0.5773503 0.4157400), wk = 0.0024570 k( 270) = ( 0.3277778 0.5677278 0.4157400), wk = 0.0024570 k( 271) = ( 0.3222222 0.5581053 0.4157400), wk = 0.0024570 k( 272) = ( 0.3166667 0.5484828 0.4157400), wk = 0.0024570 k( 273) = ( 0.3111111 0.5388602 0.4157400), wk = 0.0024570 k( 274) = ( 0.3055556 0.5292378 0.4157400), wk = 0.0024570 k( 275) = ( 0.3000000 0.5196152 0.4157400), wk = 0.0024570 k( 276) = ( 0.2944444 0.5099927 0.4157400), wk = 0.0024570 k( 277) = ( 0.2888889 0.5003702 0.4157400), wk = 0.0024570 k( 278) = ( 0.2833333 0.4907477 0.4157400), wk = 0.0024570 k( 279) = ( 0.2777778 0.4811252 0.4157400), wk = 0.0024570 k( 280) = ( 0.2722222 0.4715027 0.4157400), wk = 0.0024570 k( 281) = ( 0.2666667 0.4618802 0.4157400), wk = 0.0024570 k( 282) = ( 0.2611111 0.4522577 0.4157400), wk = 0.0024570 k( 283) = ( 0.2555556 0.4426352 0.4157400), wk = 0.0024570 k( 284) = ( 0.2500000 0.4330127 0.4157400), wk = 0.0024570 k( 285) = ( 0.2444444 0.4233902 0.4157400), wk = 0.0024570 k( 286) = ( 0.2388889 0.4137677 0.4157400), wk = 0.0024570 k( 287) = ( 0.2333333 0.4041452 0.4157400), wk = 0.0024570 k( 288) = ( 0.2277778 0.3945227 0.4157400), wk = 0.0024570 k( 289) = ( 0.2222222 0.3849002 0.4157400), wk = 0.0024570 k( 290) = ( 0.2166667 0.3752777 0.4157400), wk = 0.0024570 k( 291) = ( 0.2111111 0.3656552 0.4157400), wk = 0.0024570 k( 292) = ( 0.2055556 0.3560327 0.4157400), wk = 0.0024570 k( 293) = ( 0.2000000 0.3464102 0.4157400), wk = 0.0024570 k( 294) = ( 0.1944444 0.3367876 0.4157400), wk = 0.0024570 k( 295) = ( 0.1888889 0.3271652 0.4157400), wk = 0.0024570 k( 296) = ( 0.1833333 0.3175426 0.4157400), wk = 0.0024570 k( 297) = ( 0.1777778 0.3079201 0.4157400), wk = 0.0024570 k( 298) = ( 0.1722222 0.2982976 0.4157400), wk = 0.0024570 k( 299) = ( 0.1666667 0.2886751 0.4157400), wk = 0.0024570 k( 300) = ( 0.1611111 0.2790526 0.4157400), wk = 0.0024570 k( 301) = ( 0.1555556 0.2694301 0.4157400), wk = 0.0024570 k( 302) = ( 0.1500000 0.2598076 0.4157400), wk = 0.0024570 k( 303) = ( 0.1444444 0.2501851 0.4157400), wk = 0.0024570 k( 304) = ( 0.1388889 0.2405626 0.4157400), wk = 0.0024570 k( 305) = ( 0.1333333 0.2309401 0.4157400), wk = 0.0024570 k( 306) = ( 0.1277778 0.2213176 0.4157400), wk = 0.0024570 k( 307) = ( 0.1222222 0.2116951 0.4157400), wk = 0.0024570 k( 308) = ( 0.1166667 0.2020726 0.4157400), wk = 0.0024570 k( 309) = ( 0.1111111 0.1924501 0.4157400), wk = 0.0024570 k( 310) = ( 0.1055556 0.1828276 0.4157400), wk = 0.0024570 k( 311) = ( 0.1000000 0.1732051 0.4157400), wk = 0.0024570 k( 312) = ( 0.0944444 0.1635826 0.4157400), wk = 0.0024570 k( 313) = ( 0.0888889 0.1539601 0.4157400), wk = 0.0024570 k( 314) = ( 0.0833333 0.1443376 0.4157400), wk = 0.0024570 k( 315) = ( 0.0777778 0.1347151 0.4157400), wk = 0.0024570 k( 316) = ( 0.0722222 0.1250926 0.4157400), wk = 0.0024570 k( 317) = ( 0.0666667 0.1154701 0.4157400), wk = 0.0024570 k( 318) = ( 0.0611111 0.1058475 0.4157400), wk = 0.0024570 k( 319) = ( 0.0555556 0.0962251 0.4157400), wk = 0.0024570 k( 320) = ( 0.0500000 0.0866025 0.4157400), wk = 0.0024570 k( 321) = ( 0.0444444 0.0769800 0.4157400), wk = 0.0024570 k( 322) = ( 0.0388889 0.0673575 0.4157400), wk = 0.0024570 k( 323) = ( 0.0333333 0.0577350 0.4157400), wk = 0.0024570 k( 324) = ( 0.0277778 0.0481125 0.4157400), wk = 0.0024570 k( 325) = ( 0.0222222 0.0384900 0.4157400), wk = 0.0024570 k( 326) = ( 0.0166667 0.0288675 0.4157400), wk = 0.0024570 k( 327) = ( 0.0111111 0.0192450 0.4157400), wk = 0.0024570 k( 328) = ( 0.0055556 0.0096225 0.4157400), wk = 0.0024570 k( 329) = ( 0.0000000 0.0000000 0.4157400), wk = 0.0024570 k( 330) = ( 0.5000000 0.2886751 0.4157400), wk = 0.0024570 k( 331) = ( 0.5000000 0.2886751 0.4047995), wk = 0.0024570 k( 332) = ( 0.5000000 0.2886751 0.3938590), wk = 0.0024570 k( 333) = ( 0.5000000 0.2886751 0.3829184), wk = 0.0024570 k( 334) = ( 0.5000000 0.2886751 0.3719779), wk = 0.0024570 k( 335) = ( 0.5000000 0.2886751 0.3610374), wk = 0.0024570 k( 336) = ( 0.5000000 0.2886751 0.3500969), wk = 0.0024570 k( 337) = ( 0.5000000 0.2886751 0.3391563), wk = 0.0024570 k( 338) = ( 0.5000000 0.2886751 0.3282158), wk = 0.0024570 k( 339) = ( 0.5000000 0.2886751 0.3172753), wk = 0.0024570 k( 340) = ( 0.5000000 0.2886751 0.3063347), wk = 0.0024570 k( 341) = ( 0.5000000 0.2886751 0.2953942), wk = 0.0024570 k( 342) = ( 0.5000000 0.2886751 0.2844537), wk = 0.0024570 k( 343) = ( 0.5000000 0.2886751 0.2735132), wk = 0.0024570 k( 344) = ( 0.5000000 0.2886751 0.2625726), wk = 0.0024570 k( 345) = ( 0.5000000 0.2886751 0.2516321), wk = 0.0024570 k( 346) = ( 0.5000000 0.2886751 0.2406916), wk = 0.0024570 k( 347) = ( 0.5000000 0.2886751 0.2297511), wk = 0.0024570 k( 348) = ( 0.5000000 0.2886751 0.2188105), wk = 0.0024570 k( 349) = ( 0.5000000 0.2886751 0.2078700), wk = 0.0024570 k( 350) = ( 0.5000000 0.2886751 0.1969295), wk = 0.0024570 k( 351) = ( 0.5000000 0.2886751 0.1859890), wk = 0.0024570 k( 352) = ( 0.5000000 0.2886751 0.1750484), wk = 0.0024570 k( 353) = ( 0.5000000 0.2886751 0.1641079), wk = 0.0024570 k( 354) = ( 0.5000000 0.2886751 0.1531674), wk = 0.0024570 k( 355) = ( 0.5000000 0.2886751 0.1422268), wk = 0.0024570 k( 356) = ( 0.5000000 0.2886751 0.1312863), wk = 0.0024570 k( 357) = ( 0.5000000 0.2886751 0.1203458), wk = 0.0024570 k( 358) = ( 0.5000000 0.2886751 0.1094053), wk = 0.0024570 k( 359) = ( 0.5000000 0.2886751 0.0984647), wk = 0.0024570 k( 360) = ( 0.5000000 0.2886751 0.0875242), wk = 0.0024570 k( 361) = ( 0.5000000 0.2886751 0.0765837), wk = 0.0024570 k( 362) = ( 0.5000000 0.2886751 0.0656432), wk = 0.0024570 k( 363) = ( 0.5000000 0.2886751 0.0547026), wk = 0.0024570 k( 364) = ( 0.5000000 0.2886751 0.0437621), wk = 0.0024570 k( 365) = ( 0.5000000 0.2886751 0.0328216), wk = 0.0024570 k( 366) = ( 0.5000000 0.2886751 0.0218811), wk = 0.0024570 k( 367) = ( 0.5000000 0.2886751 0.0109405), wk = 0.0024570 k( 368) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024570 k( 369) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024570 k( 370) = ( 0.3333333 0.5773503 0.0109405), wk = 0.0024570 k( 371) = ( 0.3333333 0.5773503 0.0218811), wk = 0.0024570 k( 372) = ( 0.3333333 0.5773503 0.0328216), wk = 0.0024570 k( 373) = ( 0.3333333 0.5773503 0.0437621), wk = 0.0024570 k( 374) = ( 0.3333333 0.5773503 0.0547026), wk = 0.0024570 k( 375) = ( 0.3333333 0.5773503 0.0656432), wk = 0.0024570 k( 376) = ( 0.3333333 0.5773503 0.0765837), wk = 0.0024570 k( 377) = ( 0.3333333 0.5773503 0.0875242), wk = 0.0024570 k( 378) = ( 0.3333333 0.5773503 0.0984647), wk = 0.0024570 k( 379) = ( 0.3333333 0.5773503 0.1094053), wk = 0.0024570 k( 380) = ( 0.3333333 0.5773503 0.1203458), wk = 0.0024570 k( 381) = ( 0.3333333 0.5773503 0.1312863), wk = 0.0024570 k( 382) = ( 0.3333333 0.5773503 0.1422268), wk = 0.0024570 k( 383) = ( 0.3333333 0.5773503 0.1531674), wk = 0.0024570 k( 384) = ( 0.3333333 0.5773503 0.1641079), wk = 0.0024570 k( 385) = ( 0.3333333 0.5773503 0.1750484), wk = 0.0024570 k( 386) = ( 0.3333333 0.5773503 0.1859890), wk = 0.0024570 k( 387) = ( 0.3333333 0.5773503 0.1969295), wk = 0.0024570 k( 388) = ( 0.3333333 0.5773503 0.2078700), wk = 0.0024570 k( 389) = ( 0.3333333 0.5773503 0.2188105), wk = 0.0024570 k( 390) = ( 0.3333333 0.5773503 0.2297511), wk = 0.0024570 k( 391) = ( 0.3333333 0.5773503 0.2406916), wk = 0.0024570 k( 392) = ( 0.3333333 0.5773503 0.2516321), wk = 0.0024570 k( 393) = ( 0.3333333 0.5773503 0.2625726), wk = 0.0024570 k( 394) = ( 0.3333333 0.5773503 0.2735132), wk = 0.0024570 k( 395) = ( 0.3333333 0.5773503 0.2844537), wk = 0.0024570 k( 396) = ( 0.3333333 0.5773503 0.2953942), wk = 0.0024570 k( 397) = ( 0.3333333 0.5773503 0.3063347), wk = 0.0024570 k( 398) = ( 0.3333333 0.5773503 0.3172753), wk = 0.0024570 k( 399) = ( 0.3333333 0.5773503 0.3282158), wk = 0.0024570 k( 400) = ( 0.3333333 0.5773503 0.3391563), wk = 0.0024570 k( 401) = ( 0.3333333 0.5773503 0.3500969), wk = 0.0024570 k( 402) = ( 0.3333333 0.5773503 0.3610374), wk = 0.0024570 k( 403) = ( 0.3333333 0.5773503 0.3719779), wk = 0.0024570 k( 404) = ( 0.3333333 0.5773503 0.3829184), wk = 0.0024570 k( 405) = ( 0.3333333 0.5773503 0.3938590), wk = 0.0024570 k( 406) = ( 0.3333333 0.5773503 0.4047995), wk = 0.0024570 k( 407) = ( 0.3333333 0.5773503 0.4157400), wk = 0.0024570 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0096154 -0.0000000 0.0000000), wk = 0.0024570 k( 3) = ( 0.0192308 -0.0000000 -0.0000000), wk = 0.0024570 k( 4) = ( 0.0288462 -0.0000000 0.0000000), wk = 0.0024570 k( 5) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0024570 k( 6) = ( 0.0480769 -0.0000000 0.0000000), wk = 0.0024570 k( 7) = ( 0.0576923 -0.0000000 0.0000000), wk = 0.0024570 k( 8) = ( 0.0673077 -0.0000000 0.0000000), wk = 0.0024570 k( 9) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0024570 k( 10) = ( 0.0865385 -0.0000000 0.0000000), wk = 0.0024570 k( 11) = ( 0.0961538 -0.0000000 0.0000000), wk = 0.0024570 k( 12) = ( 0.1057692 -0.0000000 -0.0000000), wk = 0.0024570 k( 13) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0024570 k( 14) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0024570 k( 15) = ( 0.1346154 -0.0000000 0.0000000), wk = 0.0024570 k( 16) = ( 0.1442308 -0.0000000 -0.0000000), wk = 0.0024570 k( 17) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0024570 k( 18) = ( 0.1634615 -0.0000000 0.0000000), wk = 0.0024570 k( 19) = ( 0.1730769 -0.0000000 0.0000000), wk = 0.0024570 k( 20) = ( 0.1826923 -0.0000000 0.0000000), wk = 0.0024570 k( 21) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0024570 k( 22) = ( 0.2019231 -0.0000000 0.0000000), wk = 0.0024570 k( 23) = ( 0.2115385 -0.0000000 -0.0000000), wk = 0.0024570 k( 24) = ( 0.2211539 -0.0000000 0.0000000), wk = 0.0024570 k( 25) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0024570 k( 26) = ( 0.2403846 -0.0000000 0.0000000), wk = 0.0024570 k( 27) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0024570 k( 28) = ( 0.2596154 -0.0000000 0.0000000), wk = 0.0024570 k( 29) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0024570 k( 30) = ( 0.2788462 -0.0000000 0.0000000), wk = 0.0024570 k( 31) = ( 0.2884615 -0.0000000 -0.0000000), wk = 0.0024570 k( 32) = ( 0.2980769 -0.0000000 -0.0000000), wk = 0.0024570 k( 33) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0024570 k( 34) = ( 0.3173077 -0.0000000 0.0000000), wk = 0.0024570 k( 35) = ( 0.3269231 -0.0000000 0.0000000), wk = 0.0024570 k( 36) = ( 0.3365385 -0.0000000 -0.0000000), wk = 0.0024570 k( 37) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0024570 k( 38) = ( 0.3557692 -0.0000000 0.0000000), wk = 0.0024570 k( 39) = ( 0.3653846 -0.0000000 0.0000000), wk = 0.0024570 k( 40) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0024570 k( 41) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0024570 k( 42) = ( 0.3942308 -0.0000000 0.0000000), wk = 0.0024570 k( 43) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0024570 k( 44) = ( 0.4134615 -0.0000000 -0.0000000), wk = 0.0024570 k( 45) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0024570 k( 46) = ( 0.4326923 -0.0000000 -0.0000000), wk = 0.0024570 k( 47) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0024570 k( 48) = ( 0.4519231 -0.0000000 0.0000000), wk = 0.0024570 k( 49) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0024570 k( 50) = ( 0.4711538 -0.0000000 -0.0000000), wk = 0.0024570 k( 51) = ( 0.4807692 -0.0000000 0.0000000), wk = 0.0024570 k( 52) = ( 0.4903846 -0.0000000 0.0000000), wk = 0.0024570 k( 53) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0024570 k( 54) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0024570 k( 55) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0024570 k( 56) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0024570 k( 57) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0024570 k( 58) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0024570 k( 59) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0024570 k( 60) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0024570 k( 61) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0024570 k( 62) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0024570 k( 63) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0024570 k( 64) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0024570 k( 65) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0024570 k( 66) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0024570 k( 67) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0024570 k( 68) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0024570 k( 69) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0024570 k( 70) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0024570 k( 71) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0024570 k( 72) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0024570 k( 73) = ( 0.3944444 0.2111111 -0.0000000), wk = 0.0024570 k( 74) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0024570 k( 75) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0024570 k( 76) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0024570 k( 77) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0024570 k( 78) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0024570 k( 79) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0024570 k( 80) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0024570 k( 81) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0024570 k( 82) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0024570 k( 83) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0024570 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024570 k( 85) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024570 k( 86) = ( 0.3277778 0.3277778 -0.0000000), wk = 0.0024570 k( 87) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0024570 k( 88) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0024570 k( 89) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0024570 k( 90) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0024570 k( 92) = ( 0.2944444 0.2944444 -0.0000000), wk = 0.0024570 k( 93) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0024570 k( 94) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0024570 k( 95) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0024570 k( 96) = ( 0.2722222 0.2722222 0.0000000), wk = 0.0024570 k( 97) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024570 k( 98) = ( 0.2611111 0.2611111 0.0000000), wk = 0.0024570 k( 99) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0024570 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024570 k( 101) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0024570 k( 102) = ( 0.2388889 0.2388889 -0.0000000), wk = 0.0024570 k( 103) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0024570 k( 104) = ( 0.2277778 0.2277778 0.0000000), wk = 0.0024570 k( 105) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0024570 k( 106) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0024570 k( 107) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0024570 k( 108) = ( 0.2055556 0.2055556 0.0000000), wk = 0.0024570 k( 109) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024570 k( 110) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0024570 k( 111) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0024570 k( 112) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0024570 k( 113) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0024570 k( 114) = ( 0.1722222 0.1722222 0.0000000), wk = 0.0024570 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024570 k( 116) = ( 0.1611111 0.1611111 -0.0000000), wk = 0.0024570 k( 117) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0024570 k( 118) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0024570 k( 119) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0024570 k( 120) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0024570 k( 121) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024570 k( 122) = ( 0.1277778 0.1277778 0.0000000), wk = 0.0024570 k( 123) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0024570 k( 124) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0024570 k( 125) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0024570 k( 126) = ( 0.1055556 0.1055556 0.0000000), wk = 0.0024570 k( 127) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0024570 k( 128) = ( 0.0944444 0.0944444 -0.0000000), wk = 0.0024570 k( 129) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0024570 k( 130) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024570 k( 131) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0024570 k( 132) = ( 0.0722222 0.0722222 -0.0000000), wk = 0.0024570 k( 133) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024570 k( 134) = ( 0.0611111 0.0611111 0.0000000), wk = 0.0024570 k( 135) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0024570 k( 136) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0024570 k( 137) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0024570 k( 138) = ( 0.0388889 0.0388889 0.0000000), wk = 0.0024570 k( 139) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024570 k( 140) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0024570 k( 141) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0024570 k( 142) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0024570 k( 143) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0024570 k( 144) = ( 0.0055556 0.0055556 0.0000000), wk = 0.0024570 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 147) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0024570 k( 148) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0024570 k( 149) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0024570 k( 150) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0024570 k( 151) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0024570 k( 152) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0024570 k( 153) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0024570 k( 154) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0024570 k( 155) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0024570 k( 156) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0024570 k( 157) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0024570 k( 158) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0024570 k( 159) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0024570 k( 160) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0024570 k( 161) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0024570 k( 162) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0024570 k( 163) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0024570 k( 164) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0024570 k( 165) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024570 k( 166) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0024570 k( 167) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0024570 k( 168) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0024570 k( 169) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0024570 k( 170) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0024570 k( 171) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0024570 k( 172) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0024570 k( 173) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0024570 k( 174) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0024570 k( 175) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0024570 k( 176) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0024570 k( 177) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0024570 k( 178) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0024570 k( 179) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0024570 k( 180) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0024570 k( 181) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0024570 k( 182) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0024570 k( 183) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024570 k( 186) = ( 0.0096154 -0.0000000 0.5000000), wk = 0.0024570 k( 187) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0024570 k( 188) = ( 0.0288462 -0.0000000 0.5000000), wk = 0.0024570 k( 189) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0024570 k( 190) = ( 0.0480769 -0.0000000 0.5000000), wk = 0.0024570 k( 191) = ( 0.0576923 -0.0000000 0.5000000), wk = 0.0024570 k( 192) = ( 0.0673077 -0.0000000 0.5000000), wk = 0.0024570 k( 193) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0024570 k( 194) = ( 0.0865385 -0.0000000 0.5000000), wk = 0.0024570 k( 195) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0024570 k( 196) = ( 0.1057692 -0.0000000 0.5000000), wk = 0.0024570 k( 197) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0024570 k( 198) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0024570 k( 199) = ( 0.1346154 -0.0000000 0.5000000), wk = 0.0024570 k( 200) = ( 0.1442308 -0.0000000 0.5000000), wk = 0.0024570 k( 201) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0024570 k( 202) = ( 0.1634615 -0.0000000 0.5000000), wk = 0.0024570 k( 203) = ( 0.1730769 -0.0000000 0.5000000), wk = 0.0024570 k( 204) = ( 0.1826923 -0.0000000 0.5000000), wk = 0.0024570 k( 205) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0024570 k( 206) = ( 0.2019231 -0.0000000 0.5000000), wk = 0.0024570 k( 207) = ( 0.2115385 -0.0000000 0.5000000), wk = 0.0024570 k( 208) = ( 0.2211539 -0.0000000 0.5000000), wk = 0.0024570 k( 209) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0024570 k( 210) = ( 0.2403846 -0.0000000 0.5000000), wk = 0.0024570 k( 211) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0024570 k( 212) = ( 0.2596154 -0.0000000 0.5000000), wk = 0.0024570 k( 213) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0024570 k( 214) = ( 0.2788462 -0.0000000 0.5000000), wk = 0.0024570 k( 215) = ( 0.2884615 -0.0000000 0.5000000), wk = 0.0024570 k( 216) = ( 0.2980769 -0.0000000 0.5000000), wk = 0.0024570 k( 217) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0024570 k( 218) = ( 0.3173077 -0.0000000 0.5000000), wk = 0.0024570 k( 219) = ( 0.3269231 -0.0000000 0.5000000), wk = 0.0024570 k( 220) = ( 0.3365385 -0.0000000 0.5000000), wk = 0.0024570 k( 221) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0024570 k( 222) = ( 0.3557692 -0.0000000 0.5000000), wk = 0.0024570 k( 223) = ( 0.3653846 -0.0000000 0.5000000), wk = 0.0024570 k( 224) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0024570 k( 225) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0024570 k( 226) = ( 0.3942308 -0.0000000 0.5000000), wk = 0.0024570 k( 227) = ( 0.4038462 -0.0000000 0.5000000), wk = 0.0024570 k( 228) = ( 0.4134615 -0.0000000 0.5000000), wk = 0.0024570 k( 229) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0024570 k( 230) = ( 0.4326923 -0.0000000 0.5000000), wk = 0.0024570 k( 231) = ( 0.4423077 -0.0000000 0.5000000), wk = 0.0024570 k( 232) = ( 0.4519231 -0.0000000 0.5000000), wk = 0.0024570 k( 233) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0024570 k( 234) = ( 0.4711538 -0.0000000 0.5000000), wk = 0.0024570 k( 235) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0024570 k( 236) = ( 0.4903846 -0.0000000 0.5000000), wk = 0.0024570 k( 237) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0024570 k( 238) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0024570 k( 239) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0024570 k( 240) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0024570 k( 241) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0024570 k( 242) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0024570 k( 243) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0024570 k( 244) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0024570 k( 245) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0024570 k( 246) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0024570 k( 247) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0024570 k( 248) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0024570 k( 249) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0024570 k( 250) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0024570 k( 251) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0024570 k( 252) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0024570 k( 253) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0024570 k( 254) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0024570 k( 255) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0024570 k( 256) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0024570 k( 257) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0024570 k( 258) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0024570 k( 259) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0024570 k( 260) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0024570 k( 261) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0024570 k( 262) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0024570 k( 263) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0024570 k( 264) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0024570 k( 265) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0024570 k( 266) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0024570 k( 267) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0024570 k( 268) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024570 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024570 k( 270) = ( 0.3277778 0.3277778 0.5000000), wk = 0.0024570 k( 271) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0024570 k( 272) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0024570 k( 273) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0024570 k( 274) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0024570 k( 275) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0024570 k( 276) = ( 0.2944444 0.2944444 0.5000000), wk = 0.0024570 k( 277) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0024570 k( 278) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0024570 k( 279) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0024570 k( 280) = ( 0.2722222 0.2722222 0.5000000), wk = 0.0024570 k( 281) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0024570 k( 282) = ( 0.2611111 0.2611111 0.5000000), wk = 0.0024570 k( 283) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0024570 k( 284) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024570 k( 285) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0024570 k( 286) = ( 0.2388889 0.2388889 0.5000000), wk = 0.0024570 k( 287) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0024570 k( 288) = ( 0.2277778 0.2277778 0.5000000), wk = 0.0024570 k( 289) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0024570 k( 290) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0024570 k( 291) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0024570 k( 292) = ( 0.2055556 0.2055556 0.5000000), wk = 0.0024570 k( 293) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0024570 k( 294) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0024570 k( 295) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0024570 k( 296) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0024570 k( 297) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0024570 k( 298) = ( 0.1722222 0.1722222 0.5000000), wk = 0.0024570 k( 299) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024570 k( 300) = ( 0.1611111 0.1611111 0.5000000), wk = 0.0024570 k( 301) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0024570 k( 302) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0024570 k( 303) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0024570 k( 304) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0024570 k( 305) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0024570 k( 306) = ( 0.1277778 0.1277778 0.5000000), wk = 0.0024570 k( 307) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0024570 k( 308) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0024570 k( 309) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0024570 k( 310) = ( 0.1055556 0.1055556 0.5000000), wk = 0.0024570 k( 311) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0024570 k( 312) = ( 0.0944444 0.0944444 0.5000000), wk = 0.0024570 k( 313) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0024570 k( 314) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024570 k( 315) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0024570 k( 316) = ( 0.0722222 0.0722222 0.5000000), wk = 0.0024570 k( 317) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0024570 k( 318) = ( 0.0611111 0.0611111 0.5000000), wk = 0.0024570 k( 319) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0024570 k( 320) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0024570 k( 321) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0024570 k( 322) = ( 0.0388889 0.0388889 0.5000000), wk = 0.0024570 k( 323) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0024570 k( 324) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0024570 k( 325) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0024570 k( 326) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0024570 k( 327) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0024570 k( 328) = ( 0.0055556 0.0055556 0.5000000), wk = 0.0024570 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024570 k( 330) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0024570 k( 331) = ( 0.5000000 -0.0000000 0.4868421), wk = 0.0024570 k( 332) = ( 0.5000000 -0.0000000 0.4736842), wk = 0.0024570 k( 333) = ( 0.5000000 -0.0000000 0.4605263), wk = 0.0024570 k( 334) = ( 0.5000000 -0.0000000 0.4473684), wk = 0.0024570 k( 335) = ( 0.5000000 -0.0000000 0.4342105), wk = 0.0024570 k( 336) = ( 0.5000000 -0.0000000 0.4210526), wk = 0.0024570 k( 337) = ( 0.5000000 -0.0000000 0.4078947), wk = 0.0024570 k( 338) = ( 0.5000000 -0.0000000 0.3947368), wk = 0.0024570 k( 339) = ( 0.5000000 -0.0000000 0.3815789), wk = 0.0024570 k( 340) = ( 0.5000000 -0.0000000 0.3684210), wk = 0.0024570 k( 341) = ( 0.5000000 -0.0000000 0.3552632), wk = 0.0024570 k( 342) = ( 0.5000000 -0.0000000 0.3421053), wk = 0.0024570 k( 343) = ( 0.5000000 -0.0000000 0.3289474), wk = 0.0024570 k( 344) = ( 0.5000000 -0.0000000 0.3157895), wk = 0.0024570 k( 345) = ( 0.5000000 -0.0000000 0.3026316), wk = 0.0024570 k( 346) = ( 0.5000000 -0.0000000 0.2894737), wk = 0.0024570 k( 347) = ( 0.5000000 -0.0000000 0.2763158), wk = 0.0024570 k( 348) = ( 0.5000000 -0.0000000 0.2631579), wk = 0.0024570 k( 349) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0024570 k( 350) = ( 0.5000000 -0.0000000 0.2368421), wk = 0.0024570 k( 351) = ( 0.5000000 -0.0000000 0.2236842), wk = 0.0024570 k( 352) = ( 0.5000000 -0.0000000 0.2105263), wk = 0.0024570 k( 353) = ( 0.5000000 -0.0000000 0.1973684), wk = 0.0024570 k( 354) = ( 0.5000000 -0.0000000 0.1842105), wk = 0.0024570 k( 355) = ( 0.5000000 -0.0000000 0.1710526), wk = 0.0024570 k( 356) = ( 0.5000000 -0.0000000 0.1578947), wk = 0.0024570 k( 357) = ( 0.5000000 -0.0000000 0.1447368), wk = 0.0024570 k( 358) = ( 0.5000000 -0.0000000 0.1315790), wk = 0.0024570 k( 359) = ( 0.5000000 -0.0000000 0.1184210), wk = 0.0024570 k( 360) = ( 0.5000000 -0.0000000 0.1052632), wk = 0.0024570 k( 361) = ( 0.5000000 -0.0000000 0.0921053), wk = 0.0024570 k( 362) = ( 0.5000000 -0.0000000 0.0789474), wk = 0.0024570 k( 363) = ( 0.5000000 -0.0000000 0.0657895), wk = 0.0024570 k( 364) = ( 0.5000000 -0.0000000 0.0526316), wk = 0.0024570 k( 365) = ( 0.5000000 -0.0000000 0.0394737), wk = 0.0024570 k( 366) = ( 0.5000000 -0.0000000 0.0263158), wk = 0.0024570 k( 367) = ( 0.5000000 -0.0000000 0.0131579), wk = 0.0024570 k( 368) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0024570 k( 369) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024570 k( 370) = ( 0.3333333 0.3333333 0.0131579), wk = 0.0024570 k( 371) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0024570 k( 372) = ( 0.3333333 0.3333333 0.0394737), wk = 0.0024570 k( 373) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0024570 k( 374) = ( 0.3333333 0.3333333 0.0657895), wk = 0.0024570 k( 375) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0024570 k( 376) = ( 0.3333333 0.3333333 0.0921053), wk = 0.0024570 k( 377) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0024570 k( 378) = ( 0.3333333 0.3333333 0.1184210), wk = 0.0024570 k( 379) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0024570 k( 380) = ( 0.3333333 0.3333333 0.1447368), wk = 0.0024570 k( 381) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0024570 k( 382) = ( 0.3333333 0.3333333 0.1710526), wk = 0.0024570 k( 383) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0024570 k( 384) = ( 0.3333333 0.3333333 0.1973684), wk = 0.0024570 k( 385) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0024570 k( 386) = ( 0.3333333 0.3333333 0.2236842), wk = 0.0024570 k( 387) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0024570 k( 388) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0024570 k( 389) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0024570 k( 390) = ( 0.3333333 0.3333333 0.2763158), wk = 0.0024570 k( 391) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0024570 k( 392) = ( 0.3333333 0.3333333 0.3026316), wk = 0.0024570 k( 393) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0024570 k( 394) = ( 0.3333333 0.3333333 0.3289474), wk = 0.0024570 k( 395) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0024570 k( 396) = ( 0.3333333 0.3333333 0.3552632), wk = 0.0024570 k( 397) = ( 0.3333333 0.3333333 0.3684210), wk = 0.0024570 k( 398) = ( 0.3333333 0.3333333 0.3815789), wk = 0.0024570 k( 399) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0024570 k( 400) = ( 0.3333333 0.3333333 0.4078947), wk = 0.0024570 k( 401) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0024570 k( 402) = ( 0.3333333 0.3333333 0.4342105), wk = 0.0024570 k( 403) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0024570 k( 404) = ( 0.3333333 0.3333333 0.4605263), wk = 0.0024570 k( 405) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0024570 k( 406) = ( 0.3333333 0.3333333 0.4868421), wk = 0.0024570 k( 407) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024570 Dense grid: 39255 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 18747 G-vectors FFT dimensions: ( 36, 36, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 160, 40) NL pseudopotentials 0.07 Mb ( 80, 56) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1090) G-vector shells 0.00 Mb ( 531) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 160, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.07 Mb ( 56, 2, 40) Check: negative/imaginary core charge= -0.000022 0.000000 The potential is recalculated from file : ./MgO.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.1 secs Computing kpt #: 18 total cpu time spent up to now is 5.3 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.8 secs Computing kpt #: 27 total cpu time spent up to now is 6.9 secs Computing kpt #: 28 total cpu time spent up to now is 7.1 secs Computing kpt #: 29 total cpu time spent up to now is 7.3 secs Computing kpt #: 30 total cpu time spent up to now is 7.5 secs Computing kpt #: 31 total cpu time spent up to now is 7.6 secs Computing kpt #: 32 total cpu time spent up to now is 7.8 secs Computing kpt #: 33 total cpu time spent up to now is 8.0 secs Computing kpt #: 34 total cpu time spent up to now is 8.2 secs Computing kpt #: 35 total cpu time spent up to now is 8.7 secs Computing kpt #: 36 total cpu time spent up to now is 8.9 secs Computing kpt #: 37 total cpu time spent up to now is 9.1 secs Computing kpt #: 38 total cpu time spent up to now is 9.3 secs Computing kpt #: 39 total cpu time spent up to now is 9.4 secs Computing kpt #: 40 total cpu time spent up to now is 9.6 secs Computing kpt #: 41 total cpu time spent up to now is 9.8 secs Computing kpt #: 42 total cpu time spent up to now is 9.9 secs Computing kpt #: 43 total cpu time spent up to now is 10.1 secs Computing kpt #: 44 total cpu time spent up to now is 10.3 secs Computing kpt #: 45 total cpu time spent up to now is 10.4 secs Computing kpt #: 46 total cpu time spent up to now is 10.6 secs Computing kpt #: 47 total cpu time spent up to now is 10.8 secs Computing kpt #: 48 total cpu time spent up to now is 11.0 secs Computing kpt #: 49 total cpu time spent up to now is 11.1 secs Computing kpt #: 50 total cpu time spent up to now is 11.3 secs Computing kpt #: 51 total cpu time spent up to now is 11.5 secs Computing kpt #: 52 total cpu time spent up to now is 11.7 secs Computing kpt #: 53 total cpu time spent up to now is 11.8 secs Computing kpt #: 54 total cpu time spent up to now is 12.0 secs Computing kpt #: 55 total cpu time spent up to now is 12.2 secs Computing kpt #: 56 total cpu time spent up to now is 12.4 secs Computing kpt #: 57 total cpu time spent up to now is 12.5 secs Computing kpt #: 58 total cpu time spent up to now is 12.7 secs Computing kpt #: 59 total cpu time spent up to now is 12.9 secs Computing kpt #: 60 total cpu time spent up to now is 13.0 secs Computing kpt #: 61 total cpu time spent up to now is 13.2 secs Computing kpt #: 62 total cpu time spent up to now is 13.4 secs Computing kpt #: 63 total cpu time spent up to now is 13.5 secs Computing kpt #: 64 total cpu time spent up to now is 13.7 secs Computing kpt #: 65 total cpu time spent up to now is 13.9 secs Computing kpt #: 66 total cpu time spent up to now is 14.0 secs Computing kpt #: 67 total cpu time spent up to now is 14.2 secs Computing kpt #: 68 total cpu time spent up to now is 14.4 secs Computing kpt #: 69 total cpu time spent up to now is 14.6 secs Computing kpt #: 70 total cpu time spent up to now is 14.7 secs Computing kpt #: 71 total cpu time spent up to now is 14.9 secs Computing kpt #: 72 total cpu time spent up to now is 15.1 secs Computing kpt #: 73 total cpu time spent up to now is 15.3 secs Computing kpt #: 74 total cpu time spent up to now is 15.5 secs Computing kpt #: 75 total cpu time spent up to now is 15.7 secs Computing kpt #: 76 total cpu time spent up to now is 15.9 secs Computing kpt #: 77 total cpu time spent up to now is 16.1 secs Computing kpt #: 78 total cpu time spent up to now is 16.3 secs Computing kpt #: 79 total cpu time spent up to now is 16.5 secs Computing kpt #: 80 total cpu time spent up to now is 16.7 secs Computing kpt #: 81 total cpu time spent up to now is 16.9 secs Computing kpt #: 82 total cpu time spent up to now is 17.1 secs Computing kpt #: 83 total cpu time spent up to now is 17.3 secs Computing kpt #: 84 total cpu time spent up to now is 17.5 secs Computing kpt #: 85 total cpu time spent up to now is 17.6 secs Computing kpt #: 86 total cpu time spent up to now is 17.8 secs Computing kpt #: 87 total cpu time spent up to now is 18.0 secs Computing kpt #: 88 total cpu time spent up to now is 18.2 secs Computing kpt #: 89 total cpu time spent up to now is 18.4 secs Computing kpt #: 90 total cpu time spent up to now is 18.6 secs Computing kpt #: 91 total cpu time spent up to now is 18.7 secs Computing kpt #: 92 total cpu time spent up to now is 18.9 secs Computing kpt #: 93 total cpu time spent up to now is 19.1 secs Computing kpt #: 94 total cpu time spent up to now is 19.3 secs Computing kpt #: 95 total cpu time spent up to now is 19.5 secs Computing kpt #: 96 total cpu time spent up to now is 19.7 secs Computing kpt #: 97 total cpu time spent up to now is 19.8 secs Computing kpt #: 98 total cpu time spent up to now is 20.0 secs Computing kpt #: 99 total cpu time spent up to now is 20.2 secs Computing kpt #: 100 total cpu time spent up to now is 20.4 secs Computing kpt #: 101 total cpu time spent up to now is 20.6 secs Computing kpt #: 102 total cpu time spent up to now is 20.8 secs Computing kpt #: 103 total cpu time spent up to now is 21.0 secs Computing kpt #: 104 total cpu time spent up to now is 21.2 secs Computing kpt #: 105 total cpu time spent up to now is 21.3 secs Computing kpt #: 106 total cpu time spent up to now is 21.5 secs Computing kpt #: 107 total cpu time spent up to now is 21.8 secs Computing kpt #: 108 total cpu time spent up to now is 22.0 secs Computing kpt #: 109 total cpu time spent up to now is 22.3 secs Computing kpt #: 110 total cpu time spent up to now is 22.5 secs Computing kpt #: 111 total cpu time spent up to now is 22.7 secs Computing kpt #: 112 total cpu time spent up to now is 22.9 secs Computing kpt #: 113 total cpu time spent up to now is 23.2 secs Computing kpt #: 114 total cpu time spent up to now is 23.4 secs Computing kpt #: 115 total cpu time spent up to now is 23.5 secs Computing kpt #: 116 total cpu time spent up to now is 23.7 secs Computing kpt #: 117 total cpu time spent up to now is 23.9 secs Computing kpt #: 118 total cpu time spent up to now is 24.1 secs Computing kpt #: 119 total cpu time spent up to now is 24.2 secs Computing kpt #: 120 total cpu time spent up to now is 24.4 secs Computing kpt #: 121 total cpu time spent up to now is 24.6 secs Computing kpt #: 122 total cpu time spent up to now is 24.8 secs Computing kpt #: 123 total cpu time spent up to now is 25.0 secs Computing kpt #: 124 total cpu time spent up to now is 25.2 secs Computing kpt #: 125 total cpu time spent up to now is 25.3 secs Computing kpt #: 126 total cpu time spent up to now is 25.5 secs Computing kpt #: 127 total cpu time spent up to now is 25.7 secs Computing kpt #: 128 total cpu time spent up to now is 25.9 secs Computing kpt #: 129 total cpu time spent up to now is 26.1 secs Computing kpt #: 130 total cpu time spent up to now is 26.3 secs Computing kpt #: 131 total cpu time spent up to now is 26.5 secs Computing kpt #: 132 total cpu time spent up to now is 26.7 secs Computing kpt #: 133 total cpu time spent up to now is 26.9 secs Computing kpt #: 134 total cpu time spent up to now is 27.1 secs Computing kpt #: 135 total cpu time spent up to now is 27.3 secs Computing kpt #: 136 total cpu time spent up to now is 27.5 secs Computing kpt #: 137 total cpu time spent up to now is 27.7 secs Computing kpt #: 138 total cpu time spent up to now is 27.9 secs Computing kpt #: 139 total cpu time spent up to now is 28.2 secs Computing kpt #: 140 total cpu time spent up to now is 28.4 secs Computing kpt #: 141 total cpu time spent up to now is 28.6 secs Computing kpt #: 142 total cpu time spent up to now is 28.8 secs Computing kpt #: 143 total cpu time spent up to now is 29.1 secs Computing kpt #: 144 total cpu time spent up to now is 29.3 secs Computing kpt #: 145 total cpu time spent up to now is 29.6 secs Computing kpt #: 146 total cpu time spent up to now is 29.8 secs Computing kpt #: 147 total cpu time spent up to now is 30.1 secs Computing kpt #: 148 total cpu time spent up to now is 30.5 secs Computing kpt #: 149 total cpu time spent up to now is 30.8 secs Computing kpt #: 150 total cpu time spent up to now is 31.2 secs Computing kpt #: 151 total cpu time spent up to now is 31.5 secs Computing kpt #: 152 total cpu time spent up to now is 31.9 secs Computing kpt #: 153 total cpu time spent up to now is 32.2 secs Computing kpt #: 154 total cpu time spent up to now is 32.5 secs Computing kpt #: 155 total cpu time spent up to now is 32.9 secs Computing kpt #: 156 total cpu time spent up to now is 33.2 secs Computing kpt #: 157 total cpu time spent up to now is 33.5 secs Computing kpt #: 158 total cpu time spent up to now is 33.7 secs Computing kpt #: 159 total cpu time spent up to now is 34.0 secs Computing kpt #: 160 total cpu time spent up to now is 34.3 secs Computing kpt #: 161 total cpu time spent up to now is 34.6 secs Computing kpt #: 162 total cpu time spent up to now is 34.9 secs Computing kpt #: 163 total cpu time spent up to now is 35.1 secs Computing kpt #: 164 total cpu time spent up to now is 35.4 secs Computing kpt #: 165 total cpu time spent up to now is 35.6 secs Computing kpt #: 166 total cpu time spent up to now is 35.9 secs Computing kpt #: 167 total cpu time spent up to now is 36.2 secs Computing kpt #: 168 total cpu time spent up to now is 36.4 secs Computing kpt #: 169 total cpu time spent up to now is 36.7 secs Computing kpt #: 170 total cpu time spent up to now is 36.9 secs Computing kpt #: 171 total cpu time spent up to now is 37.2 secs Computing kpt #: 172 total cpu time spent up to now is 37.4 secs Computing kpt #: 173 total cpu time spent up to now is 37.7 secs Computing kpt #: 174 total cpu time spent up to now is 37.9 secs Computing kpt #: 175 total cpu time spent up to now is 38.2 secs Computing kpt #: 176 total cpu time spent up to now is 38.5 secs Computing kpt #: 177 total cpu time spent up to now is 38.7 secs Computing kpt #: 178 total cpu time spent up to now is 39.0 secs Computing kpt #: 179 total cpu time spent up to now is 39.2 secs Computing kpt #: 180 total cpu time spent up to now is 39.5 secs Computing kpt #: 181 total cpu time spent up to now is 39.8 secs Computing kpt #: 182 total cpu time spent up to now is 40.0 secs Computing kpt #: 183 total cpu time spent up to now is 40.4 secs Computing kpt #: 184 total cpu time spent up to now is 40.7 secs Computing kpt #: 185 total cpu time spent up to now is 41.1 secs Computing kpt #: 186 total cpu time spent up to now is 41.5 secs Computing kpt #: 187 total cpu time spent up to now is 41.9 secs Computing kpt #: 188 total cpu time spent up to now is 42.1 secs Computing kpt #: 189 total cpu time spent up to now is 42.4 secs Computing kpt #: 190 total cpu time spent up to now is 42.7 secs Computing kpt #: 191 total cpu time spent up to now is 42.9 secs Computing kpt #: 192 total cpu time spent up to now is 43.1 secs Computing kpt #: 193 total cpu time spent up to now is 43.4 secs Computing kpt #: 194 total cpu time spent up to now is 43.6 secs Computing kpt #: 195 total cpu time spent up to now is 43.9 secs Computing kpt #: 196 total cpu time spent up to now is 44.1 secs Computing kpt #: 197 total cpu time spent up to now is 44.3 secs Computing kpt #: 198 total cpu time spent up to now is 44.5 secs Computing kpt #: 199 total cpu time spent up to now is 44.7 secs Computing kpt #: 200 total cpu time spent up to now is 44.9 secs Computing kpt #: 201 total cpu time spent up to now is 45.1 secs Computing kpt #: 202 total cpu time spent up to now is 45.3 secs Computing kpt #: 203 total cpu time spent up to now is 45.5 secs Computing kpt #: 204 total cpu time spent up to now is 45.7 secs Computing kpt #: 205 total cpu time spent up to now is 45.9 secs Computing kpt #: 206 total cpu time spent up to now is 46.1 secs Computing kpt #: 207 total cpu time spent up to now is 46.3 secs Computing kpt #: 208 total cpu time spent up to now is 46.5 secs Computing kpt #: 209 total cpu time spent up to now is 46.7 secs Computing kpt #: 210 total cpu time spent up to now is 46.9 secs Computing kpt #: 211 total cpu time spent up to now is 47.1 secs Computing kpt #: 212 total cpu time spent up to now is 47.3 secs Computing kpt #: 213 total cpu time spent up to now is 47.5 secs Computing kpt #: 214 total cpu time spent up to now is 47.7 secs Computing kpt #: 215 total cpu time spent up to now is 47.8 secs Computing kpt #: 216 total cpu time spent up to now is 48.0 secs Computing kpt #: 217 total cpu time spent up to now is 48.2 secs Computing kpt #: 218 total cpu time spent up to now is 48.4 secs Computing kpt #: 219 total cpu time spent up to now is 48.6 secs Computing kpt #: 220 total cpu time spent up to now is 48.8 secs Computing kpt #: 221 total cpu time spent up to now is 49.0 secs Computing kpt #: 222 total cpu time spent up to now is 49.2 secs Computing kpt #: 223 total cpu time spent up to now is 49.3 secs Computing kpt #: 224 total cpu time spent up to now is 49.5 secs Computing kpt #: 225 total cpu time spent up to now is 49.7 secs Computing kpt #: 226 total cpu time spent up to now is 49.9 secs Computing kpt #: 227 total cpu time spent up to now is 50.1 secs Computing kpt #: 228 total cpu time spent up to now is 50.3 secs Computing kpt #: 229 total cpu time spent up to now is 50.5 secs Computing kpt #: 230 total cpu time spent up to now is 50.6 secs Computing kpt #: 231 total cpu time spent up to now is 50.8 secs Computing kpt #: 232 total cpu time spent up to now is 51.0 secs Computing kpt #: 233 total cpu time spent up to now is 51.2 secs Computing kpt #: 234 total cpu time spent up to now is 51.4 secs Computing kpt #: 235 total cpu time spent up to now is 51.5 secs Computing kpt #: 236 total cpu time spent up to now is 51.7 secs Computing kpt #: 237 total cpu time spent up to now is 51.9 secs Computing kpt #: 238 total cpu time spent up to now is 52.1 secs Computing kpt #: 239 total cpu time spent up to now is 52.2 secs Computing kpt #: 240 total cpu time spent up to now is 52.4 secs Computing kpt #: 241 total cpu time spent up to now is 52.6 secs Computing kpt #: 242 total cpu time spent up to now is 52.7 secs Computing kpt #: 243 total cpu time spent up to now is 52.9 secs Computing kpt #: 244 total cpu time spent up to now is 53.1 secs Computing kpt #: 245 total cpu time spent up to now is 53.3 secs Computing kpt #: 246 total cpu time spent up to now is 53.5 secs Computing kpt #: 247 total cpu time spent up to now is 53.7 secs Computing kpt #: 248 total cpu time spent up to now is 53.9 secs Computing kpt #: 249 total cpu time spent up to now is 54.1 secs Computing kpt #: 250 total cpu time spent up to now is 54.3 secs Computing kpt #: 251 total cpu time spent up to now is 54.5 secs Computing kpt #: 252 total cpu time spent up to now is 54.7 secs Computing kpt #: 253 total cpu time spent up to now is 54.9 secs Computing kpt #: 254 total cpu time spent up to now is 55.1 secs Computing kpt #: 255 total cpu time spent up to now is 55.2 secs Computing kpt #: 256 total cpu time spent up to now is 55.4 secs Computing kpt #: 257 total cpu time spent up to now is 55.6 secs Computing kpt #: 258 total cpu time spent up to now is 55.8 secs Computing kpt #: 259 total cpu time spent up to now is 56.0 secs Computing kpt #: 260 total cpu time spent up to now is 56.2 secs Computing kpt #: 261 total cpu time spent up to now is 56.4 secs Computing kpt #: 262 total cpu time spent up to now is 56.6 secs Computing kpt #: 263 total cpu time spent up to now is 56.7 secs Computing kpt #: 264 total cpu time spent up to now is 56.9 secs Computing kpt #: 265 total cpu time spent up to now is 57.1 secs Computing kpt #: 266 total cpu time spent up to now is 57.2 secs Computing kpt #: 267 total cpu time spent up to now is 57.5 secs Computing kpt #: 268 total cpu time spent up to now is 57.7 secs Computing kpt #: 269 total cpu time spent up to now is 57.9 secs Computing kpt #: 270 total cpu time spent up to now is 58.2 secs Computing kpt #: 271 total cpu time spent up to now is 58.3 secs Computing kpt #: 272 total cpu time spent up to now is 58.5 secs Computing kpt #: 273 total cpu time spent up to now is 58.7 secs Computing kpt #: 274 total cpu time spent up to now is 58.9 secs Computing kpt #: 275 total cpu time spent up to now is 59.1 secs Computing kpt #: 276 total cpu time spent up to now is 59.3 secs Computing kpt #: 277 total cpu time spent up to now is 59.4 secs Computing kpt #: 278 total cpu time spent up to now is 59.6 secs Computing kpt #: 279 total cpu time spent up to now is 59.8 secs Computing kpt #: 280 total cpu time spent up to now is 60.0 secs Computing kpt #: 281 total cpu time spent up to now is 60.2 secs Computing kpt #: 282 total cpu time spent up to now is 60.4 secs Computing kpt #: 283 total cpu time spent up to now is 60.6 secs Computing kpt #: 284 total cpu time spent up to now is 60.8 secs Computing kpt #: 285 total cpu time spent up to now is 61.0 secs Computing kpt #: 286 total cpu time spent up to now is 61.2 secs Computing kpt #: 287 total cpu time spent up to now is 61.4 secs Computing kpt #: 288 total cpu time spent up to now is 61.6 secs Computing kpt #: 289 total cpu time spent up to now is 61.8 secs Computing kpt #: 290 total cpu time spent up to now is 62.0 secs Computing kpt #: 291 total cpu time spent up to now is 62.2 secs Computing kpt #: 292 total cpu time spent up to now is 62.4 secs Computing kpt #: 293 total cpu time spent up to now is 62.6 secs Computing kpt #: 294 total cpu time spent up to now is 62.8 secs Computing kpt #: 295 total cpu time spent up to now is 63.0 secs Computing kpt #: 296 total cpu time spent up to now is 63.2 secs Computing kpt #: 297 total cpu time spent up to now is 63.4 secs Computing kpt #: 298 total cpu time spent up to now is 63.7 secs Computing kpt #: 299 total cpu time spent up to now is 63.9 secs Computing kpt #: 300 total cpu time spent up to now is 64.1 secs Computing kpt #: 301 total cpu time spent up to now is 64.3 secs Computing kpt #: 302 total cpu time spent up to now is 64.5 secs Computing kpt #: 303 total cpu time spent up to now is 64.7 secs Computing kpt #: 304 total cpu time spent up to now is 64.9 secs Computing kpt #: 305 total cpu time spent up to now is 65.1 secs Computing kpt #: 306 total cpu time spent up to now is 65.4 secs Computing kpt #: 307 total cpu time spent up to now is 65.6 secs Computing kpt #: 308 total cpu time spent up to now is 65.8 secs Computing kpt #: 309 total cpu time spent up to now is 66.0 secs Computing kpt #: 310 total cpu time spent up to now is 66.2 secs Computing kpt #: 311 total cpu time spent up to now is 66.4 secs Computing kpt #: 312 total cpu time spent up to now is 66.7 secs Computing kpt #: 313 total cpu time spent up to now is 66.9 secs Computing kpt #: 314 total cpu time spent up to now is 67.1 secs Computing kpt #: 315 total cpu time spent up to now is 67.4 secs Computing kpt #: 316 total cpu time spent up to now is 67.6 secs Computing kpt #: 317 total cpu time spent up to now is 67.9 secs Computing kpt #: 318 total cpu time spent up to now is 68.1 secs Computing kpt #: 319 total cpu time spent up to now is 68.4 secs Computing kpt #: 320 total cpu time spent up to now is 68.6 secs Computing kpt #: 321 total cpu time spent up to now is 68.8 secs Computing kpt #: 322 total cpu time spent up to now is 69.1 secs Computing kpt #: 323 total cpu time spent up to now is 69.3 secs Computing kpt #: 324 total cpu time spent up to now is 69.6 secs Computing kpt #: 325 total cpu time spent up to now is 69.8 secs Computing kpt #: 326 total cpu time spent up to now is 70.1 secs Computing kpt #: 327 total cpu time spent up to now is 70.4 secs Computing kpt #: 328 total cpu time spent up to now is 70.8 secs Computing kpt #: 329 total cpu time spent up to now is 71.1 secs Computing kpt #: 330 total cpu time spent up to now is 71.3 secs Computing kpt #: 331 total cpu time spent up to now is 71.5 secs Computing kpt #: 332 total cpu time spent up to now is 71.6 secs Computing kpt #: 333 total cpu time spent up to now is 71.8 secs Computing kpt #: 334 total cpu time spent up to now is 72.0 secs Computing kpt #: 335 total cpu time spent up to now is 72.1 secs Computing kpt #: 336 total cpu time spent up to now is 72.3 secs Computing kpt #: 337 total cpu time spent up to now is 72.5 secs Computing kpt #: 338 total cpu time spent up to now is 72.7 secs Computing kpt #: 339 total cpu time spent up to now is 72.9 secs Computing kpt #: 340 total cpu time spent up to now is 73.0 secs Computing kpt #: 341 total cpu time spent up to now is 73.2 secs Computing kpt #: 342 total cpu time spent up to now is 73.4 secs Computing kpt #: 343 total cpu time spent up to now is 73.6 secs Computing kpt #: 344 total cpu time spent up to now is 73.8 secs Computing kpt #: 345 total cpu time spent up to now is 73.9 secs Computing kpt #: 346 total cpu time spent up to now is 74.1 secs Computing kpt #: 347 total cpu time spent up to now is 74.3 secs Computing kpt #: 348 total cpu time spent up to now is 74.5 secs Computing kpt #: 349 total cpu time spent up to now is 74.7 secs Computing kpt #: 350 total cpu time spent up to now is 74.9 secs Computing kpt #: 351 total cpu time spent up to now is 75.1 secs Computing kpt #: 352 total cpu time spent up to now is 75.3 secs Computing kpt #: 353 total cpu time spent up to now is 75.5 secs Computing kpt #: 354 total cpu time spent up to now is 75.6 secs Computing kpt #: 355 total cpu time spent up to now is 75.8 secs Computing kpt #: 356 total cpu time spent up to now is 76.0 secs Computing kpt #: 357 total cpu time spent up to now is 76.2 secs Computing kpt #: 358 total cpu time spent up to now is 76.3 secs Computing kpt #: 359 total cpu time spent up to now is 76.5 secs Computing kpt #: 360 total cpu time spent up to now is 76.7 secs Computing kpt #: 361 total cpu time spent up to now is 76.9 secs Computing kpt #: 362 total cpu time spent up to now is 77.0 secs Computing kpt #: 363 total cpu time spent up to now is 77.2 secs Computing kpt #: 364 total cpu time spent up to now is 77.4 secs Computing kpt #: 365 total cpu time spent up to now is 77.6 secs Computing kpt #: 366 total cpu time spent up to now is 77.7 secs Computing kpt #: 367 total cpu time spent up to now is 77.9 secs Computing kpt #: 368 total cpu time spent up to now is 78.1 secs Computing kpt #: 369 total cpu time spent up to now is 78.3 secs Computing kpt #: 370 total cpu time spent up to now is 78.7 secs Computing kpt #: 371 total cpu time spent up to now is 78.9 secs Computing kpt #: 372 total cpu time spent up to now is 79.1 secs Computing kpt #: 373 total cpu time spent up to now is 79.3 secs Computing kpt #: 374 total cpu time spent up to now is 79.5 secs Computing kpt #: 375 total cpu time spent up to now is 79.6 secs Computing kpt #: 376 total cpu time spent up to now is 79.8 secs Computing kpt #: 377 total cpu time spent up to now is 80.0 secs Computing kpt #: 378 total cpu time spent up to now is 80.2 secs Computing kpt #: 379 total cpu time spent up to now is 80.4 secs Computing kpt #: 380 total cpu time spent up to now is 80.5 secs Computing kpt #: 381 total cpu time spent up to now is 80.7 secs Computing kpt #: 382 total cpu time spent up to now is 80.9 secs Computing kpt #: 383 total cpu time spent up to now is 81.1 secs Computing kpt #: 384 total cpu time spent up to now is 81.2 secs Computing kpt #: 385 total cpu time spent up to now is 81.4 secs Computing kpt #: 386 total cpu time spent up to now is 81.5 secs Computing kpt #: 387 total cpu time spent up to now is 81.7 secs Computing kpt #: 388 total cpu time spent up to now is 81.9 secs Computing kpt #: 389 total cpu time spent up to now is 82.1 secs Computing kpt #: 390 total cpu time spent up to now is 82.3 secs Computing kpt #: 391 total cpu time spent up to now is 82.4 secs Computing kpt #: 392 total cpu time spent up to now is 82.6 secs Computing kpt #: 393 total cpu time spent up to now is 82.8 secs Computing kpt #: 394 total cpu time spent up to now is 83.0 secs Computing kpt #: 395 total cpu time spent up to now is 83.2 secs Computing kpt #: 396 total cpu time spent up to now is 83.4 secs Computing kpt #: 397 total cpu time spent up to now is 83.6 secs Computing kpt #: 398 total cpu time spent up to now is 83.8 secs Computing kpt #: 399 total cpu time spent up to now is 84.0 secs Computing kpt #: 400 total cpu time spent up to now is 84.1 secs Computing kpt #: 401 total cpu time spent up to now is 84.3 secs Computing kpt #: 402 total cpu time spent up to now is 84.5 secs Computing kpt #: 403 total cpu time spent up to now is 84.6 secs Computing kpt #: 404 total cpu time spent up to now is 84.8 secs Computing kpt #: 405 total cpu time spent up to now is 85.0 secs Computing kpt #: 406 total cpu time spent up to now is 85.2 secs Computing kpt #: 407 total cpu time spent up to now is 85.4 secs ethr = 3.13E-08, avg # of iterations = 17.3 total cpu time spent up to now is 85.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2341 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2018 -11.2018 -9.9015 -9.9015 2.0700 2.0700 3.9044 3.9044 3.9264 3.9264 4.7972 4.7972 4.8192 4.8192 5.5777 5.5777 8.8527 8.8527 14.8074 14.8074 17.5372 17.5372 17.9385 17.9385 k = 0.0096 0.0056-0.0000 ( 2351 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4853 -33.4853 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2013 -11.2013 -9.9016 -9.9016 2.0707 2.0707 3.9033 3.9033 3.9253 3.9253 4.7959 4.7959 4.8181 4.8181 5.5770 5.5770 8.8572 8.8572 14.8098 14.8098 17.5356 17.5356 17.9347 17.9347 k = 0.0192 0.0111-0.0000 ( 2339 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4506 -33.4506 -33.4324 -33.4324 -11.2000 -11.2000 -9.9017 -9.9017 2.0728 2.0728 3.9000 3.9000 3.9221 3.9221 4.7910 4.7910 4.8164 4.8164 5.5748 5.5748 8.8704 8.8704 14.8172 14.8172 17.5314 17.5314 17.9166 17.9166 k = 0.0288 0.0167-0.0000 ( 2343 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4325 -33.4325 -11.1977 -11.1977 -9.9020 -9.9020 2.0763 2.0763 3.8945 3.8945 3.9169 3.9169 4.7799 4.7799 4.8160 4.8160 5.5712 5.5712 8.8922 8.8922 14.8296 14.8296 17.5243 17.5243 17.8820 17.8820 k = 0.0385 0.0222-0.0000 ( 2351 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7304 -33.7304 -33.4852 -33.4852 -33.4746 -33.4746 -33.4509 -33.4509 -33.4326 -33.4326 -11.1946 -11.1946 -9.9024 -9.9024 2.0812 2.0812 3.8863 3.8863 3.9101 3.9101 4.7626 4.7626 4.8177 4.8177 5.5661 5.5661 8.9224 8.9224 14.8467 14.8467 17.5143 17.5143 17.8340 17.8340 k = 0.0481 0.0278-0.0000 ( 2350 PWs) bands (ev): -66.8063 -66.8063 -66.7959 -66.7959 -33.7669 -33.7669 -33.7305 -33.7305 -33.4851 -33.4851 -33.4747 -33.4747 -33.4509 -33.4509 -33.4327 -33.4327 -11.1906 -11.1906 -9.9028 -9.9028 2.0876 2.0876 3.8754 3.8754 3.9018 3.9018 4.7401 4.7401 4.8209 4.8209 5.5596 5.5596 8.9607 8.9607 14.8687 14.8687 17.5013 17.5013 17.7747 17.7747 k = 0.0577 0.0333-0.0000 ( 2344 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7669 -33.7669 -33.7306 -33.7306 -33.4850 -33.4850 -33.4747 -33.4747 -33.4511 -33.4511 -33.4328 -33.4328 -11.1857 -11.1857 -9.9034 -9.9034 2.0953 2.0953 3.8614 3.8614 3.8925 3.8925 4.7130 4.7130 4.8252 4.8252 5.5517 5.5517 9.0065 9.0065 14.8954 14.8954 17.4853 17.4853 17.7053 17.7053 k = 0.0673 0.0389-0.0000 ( 2338 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7668 -33.7668 -33.7307 -33.7307 -33.4849 -33.4849 -33.4747 -33.4747 -33.4512 -33.4512 -33.4330 -33.4330 -11.1799 -11.1799 -9.9042 -9.9042 2.1045 2.1045 3.8441 3.8441 3.8822 3.8822 4.6821 4.6821 4.8305 4.8305 5.5424 5.5424 9.0595 9.0595 14.9267 14.9267 17.4660 17.4660 17.6274 17.6274 k = 0.0769 0.0444-0.0000 ( 2340 PWs) bands (ev): -66.8061 -66.8061 -66.7959 -66.7959 -33.7668 -33.7668 -33.7309 -33.7309 -33.4848 -33.4848 -33.4748 -33.4748 -33.4513 -33.4513 -33.4332 -33.4332 -11.1733 -11.1733 -9.9050 -9.9050 2.1150 2.1150 3.8236 3.8236 3.8709 3.8709 4.6481 4.6481 4.8364 4.8364 5.5317 5.5317 9.1193 9.1193 14.9624 14.9624 17.4434 17.4434 17.5422 17.5422 k = 0.0865 0.0500-0.0000 ( 2340 PWs) bands (ev): -66.8061 -66.8061 -66.7959 -66.7959 -33.7667 -33.7667 -33.7311 -33.7311 -33.4847 -33.4847 -33.4748 -33.4748 -33.4515 -33.4515 -33.4334 -33.4334 -11.1658 -11.1658 -9.9060 -9.9060 2.1268 2.1268 3.7998 3.7998 3.8587 3.8587 4.6115 4.6115 4.8429 4.8429 5.5195 5.5195 9.1851 9.1851 15.0025 15.0025 17.4174 17.4174 17.4514 17.4514 k = 0.0962 0.0555-0.0000 ( 2334 PWs) bands (ev): -66.8061 -66.8061 -66.7960 -66.7960 -33.7666 -33.7666 -33.7314 -33.7314 -33.4845 -33.4845 -33.4748 -33.4748 -33.4517 -33.4517 -33.4336 -33.4336 -11.1575 -11.1575 -9.9071 -9.9071 2.1401 2.1401 3.7728 3.7728 3.8458 3.8458 4.5730 4.5730 4.8499 4.8499 5.5061 5.5061 9.2566 9.2566 15.0467 15.0467 17.3561 17.3561 17.3878 17.3878 k = 0.1058 0.0611-0.0000 ( 2336 PWs) bands (ev): -66.8060 -66.8060 -66.7960 -66.7960 -33.7666 -33.7666 -33.7316 -33.7316 -33.4844 -33.4844 -33.4749 -33.4749 -33.4520 -33.4520 -33.4338 -33.4338 -11.1484 -11.1484 -9.9084 -9.9084 2.1546 2.1546 3.7426 3.7426 3.8320 3.8320 4.5333 4.5333 4.8573 4.8573 5.4912 5.4912 9.3333 9.3333 15.0947 15.0947 17.2574 17.2574 17.3546 17.3546 k = 0.1154 0.0666-0.0000 ( 2332 PWs) bands (ev): -66.8059 -66.8059 -66.7960 -66.7960 -33.7665 -33.7665 -33.7319 -33.7319 -33.4842 -33.4842 -33.4750 -33.4750 -33.4522 -33.4522 -33.4341 -33.4341 -11.1385 -11.1385 -9.9098 -9.9098 2.1706 2.1706 3.7091 3.7091 3.8175 3.8175 4.4927 4.4927 4.8651 4.8651 5.4750 5.4750 9.4145 9.4145 15.1464 15.1464 17.1563 17.1563 17.3178 17.3178 k = 0.1250 0.0722-0.0000 ( 2332 PWs) bands (ev): -66.8059 -66.8059 -66.7961 -66.7961 -33.7664 -33.7664 -33.7322 -33.7322 -33.4840 -33.4840 -33.4751 -33.4751 -33.4525 -33.4525 -33.4343 -33.4343 -11.1278 -11.1278 -9.9114 -9.9114 2.1878 2.1878 3.6726 3.6726 3.8023 3.8023 4.4518 4.4518 4.8732 4.8732 5.4574 5.4574 9.4999 9.4999 15.2014 15.2014 17.0540 17.0540 17.2772 17.2772 k = 0.1346 0.0777-0.0000 ( 2336 PWs) bands (ev): -66.8058 -66.8058 -66.7961 -66.7961 -33.7663 -33.7663 -33.7325 -33.7325 -33.4839 -33.4839 -33.4752 -33.4752 -33.4528 -33.4528 -33.4346 -33.4346 -11.1163 -11.1163 -9.9132 -9.9132 2.2064 2.2064 3.6329 3.6329 3.7865 3.7865 4.4111 4.4111 4.8814 4.8814 5.4387 5.4387 9.5890 9.5890 15.2592 15.2592 16.9512 16.9512 17.2328 17.2328 k = 0.1442 0.0833-0.0000 ( 2334 PWs) bands (ev): -66.8057 -66.8057 -66.7962 -66.7962 -33.7662 -33.7662 -33.7329 -33.7329 -33.4837 -33.4837 -33.4753 -33.4753 -33.4531 -33.4531 -33.4349 -33.4349 -11.1041 -11.1041 -9.9152 -9.9152 2.2262 2.2262 3.5904 3.5904 3.7703 3.7703 4.3710 4.3710 4.8898 4.8898 5.4186 5.4186 9.6813 9.6813 15.3194 15.3194 16.8490 16.8490 17.1848 17.1848 k = 0.1538 0.0888-0.0000 ( 2330 PWs) bands (ev): -66.8057 -66.8057 -66.7962 -66.7962 -33.7661 -33.7661 -33.7332 -33.7332 -33.4835 -33.4835 -33.4753 -33.4753 -33.4534 -33.4534 -33.4352 -33.4352 -11.0912 -11.0912 -9.9174 -9.9174 2.2472 2.2472 3.5451 3.5451 3.7536 3.7536 4.3318 4.3318 4.8982 4.8982 5.3972 5.3972 9.7765 9.7765 15.3812 15.3812 16.7485 16.7485 17.1333 17.1333 k = 0.1635 0.0944-0.0000 ( 2330 PWs) bands (ev): -66.8056 -66.8056 -66.7963 -66.7963 -33.7660 -33.7660 -33.7336 -33.7336 -33.4832 -33.4832 -33.4754 -33.4754 -33.4537 -33.4537 -33.4355 -33.4355 -11.0777 -11.0777 -9.9197 -9.9197 2.2695 2.2695 3.4974 3.4974 3.7366 3.7366 4.2936 4.2936 4.9067 4.9067 5.3746 5.3746 9.8741 9.8741 15.4435 15.4435 16.6508 16.6508 17.0783 17.0783 k = 0.1731 0.0999-0.0000 ( 2332 PWs) bands (ev): -66.8055 -66.8055 -66.7963 -66.7963 -33.7659 -33.7659 -33.7340 -33.7340 -33.4830 -33.4830 -33.4755 -33.4755 -33.4541 -33.4541 -33.4359 -33.4359 -11.0634 -11.0634 -9.9224 -9.9224 2.2930 2.2930 3.4473 3.4473 3.7194 3.7194 4.2564 4.2564 4.9151 4.9151 5.3508 5.3508 9.9737 9.9737 15.5049 15.5049 16.5578 16.5578 17.0203 17.0203 k = 0.1827 0.1055-0.0000 ( 2332 PWs) bands (ev): -66.8054 -66.8054 -66.7964 -66.7964 -33.7658 -33.7658 -33.7344 -33.7344 -33.4828 -33.4828 -33.4756 -33.4756 -33.4544 -33.4544 -33.4363 -33.4363 -11.0486 -11.0486 -9.9252 -9.9252 2.3177 2.3177 3.3953 3.3953 3.7019 3.7019 4.2206 4.2206 4.9235 4.9235 5.3258 5.3258 10.0749 10.0749 15.5629 15.5629 16.4719 16.4719 16.9593 16.9593 k = 0.1923 0.1110-0.0000 ( 2332 PWs) bands (ev): -66.8053 -66.8053 -66.7964 -66.7964 -33.7657 -33.7657 -33.7349 -33.7349 -33.4825 -33.4825 -33.4757 -33.4757 -33.4548 -33.4548 -33.4366 -33.4366 -11.0331 -11.0331 -9.9283 -9.9283 2.3436 2.3436 3.3416 3.3416 3.6844 3.6844 4.1861 4.1861 4.9318 4.9318 5.2996 5.2996 10.1775 10.1775 15.6138 15.6138 16.3969 16.3969 16.8957 16.8957 k = 0.2019 0.1166-0.0000 ( 2332 PWs) bands (ev): -66.8052 -66.8052 -66.7965 -66.7965 -33.7656 -33.7656 -33.7353 -33.7353 -33.4823 -33.4823 -33.4758 -33.4758 -33.4552 -33.4552 -33.4370 -33.4370 -11.0171 -11.0171 -9.9317 -9.9317 2.3704 2.3704 3.2867 3.2867 3.6667 3.6667 4.1528 4.1528 4.9399 4.9399 5.2724 5.2724 10.2811 10.2811 15.6518 15.6518 16.3386 16.3386 16.8298 16.8298 k = 0.2115 0.1221-0.0000 ( 2340 PWs) bands (ev): -66.8051 -66.8051 -66.7966 -66.7966 -33.7655 -33.7655 -33.7358 -33.7358 -33.4820 -33.4820 -33.4759 -33.4759 -33.4556 -33.4556 -33.4374 -33.4374 -11.0005 -11.0005 -9.9354 -9.9354 2.3985 2.3985 3.2306 3.2306 3.6490 3.6490 4.1208 4.1208 4.9478 4.9478 5.2440 5.2440 10.3854 10.3854 15.6698 15.6698 16.3040 16.3040 16.7620 16.7620 k = 0.2212 0.1277-0.0000 ( 2344 PWs) bands (ev): -66.8050 -66.8050 -66.7966 -66.7966 -33.7653 -33.7653 -33.7363 -33.7363 -33.4817 -33.4817 -33.4760 -33.4760 -33.4561 -33.4561 -33.4379 -33.4379 -10.9835 -10.9835 -9.9393 -9.9393 2.4276 2.4276 3.1739 3.1739 3.6314 3.6314 4.0901 4.0901 4.9555 4.9555 5.2146 5.2146 10.4901 10.4901 15.6620 15.6620 16.2989 16.2989 16.6926 16.6926 k = 0.2308 0.1332-0.0000 ( 2344 PWs) bands (ev): -66.8049 -66.8049 -66.7967 -66.7967 -33.7652 -33.7652 -33.7367 -33.7367 -33.4814 -33.4814 -33.4761 -33.4761 -33.4565 -33.4565 -33.4383 -33.4383 -10.9660 -10.9660 -9.9435 -9.9435 2.4577 2.4577 3.1169 3.1169 3.6140 3.6140 4.0606 4.0606 4.9630 4.9630 5.1843 5.1843 10.5950 10.5950 15.6290 15.6290 16.3226 16.3226 16.6221 16.6221 k = 0.2404 0.1388-0.0000 ( 2346 PWs) bands (ev): -66.8048 -66.8048 -66.7968 -66.7968 -33.7650 -33.7650 -33.7372 -33.7372 -33.4811 -33.4811 -33.4762 -33.4762 -33.4569 -33.4569 -33.4387 -33.4387 -10.9480 -10.9480 -9.9480 -9.9480 2.4886 2.4886 3.0598 3.0598 3.5967 3.5967 4.0322 4.0322 4.9703 4.9703 5.1530 5.1530 10.6997 10.6997 15.5768 15.5768 16.3688 16.3688 16.5509 16.5509 k = 0.2500 0.1443-0.0000 ( 2344 PWs) bands (ev): -66.8047 -66.8047 -66.7969 -66.7969 -33.7648 -33.7648 -33.7377 -33.7377 -33.4808 -33.4808 -33.4763 -33.4763 -33.4574 -33.4574 -33.4391 -33.4391 -10.9297 -10.9297 -9.9529 -9.9529 2.5206 2.5206 3.0029 3.0029 3.5797 3.5797 4.0050 4.0050 4.9773 4.9773 5.1209 5.1209 10.8039 10.8039 15.5126 15.5126 16.4300 16.4300 16.4795 16.4795 k = 0.2596 0.1499-0.0000 ( 2344 PWs) bands (ev): -66.8046 -66.8046 -66.7969 -66.7969 -33.7647 -33.7647 -33.7382 -33.7382 -33.4805 -33.4805 -33.4764 -33.4764 -33.4578 -33.4578 -33.4395 -33.4395 -10.9111 -10.9111 -9.9580 -9.9580 2.5534 2.5534 2.9465 2.9465 3.5630 3.5630 3.9789 3.9789 4.9838 4.9838 5.0880 5.0880 10.9074 10.9074 15.4418 15.4418 16.4074 16.4074 16.5013 16.5013 k = 0.2692 0.1554-0.0000 ( 2348 PWs) bands (ev): -66.8044 -66.8044 -66.7970 -66.7970 -33.7645 -33.7645 -33.7387 -33.7387 -33.4802 -33.4802 -33.4765 -33.4765 -33.4583 -33.4583 -33.4400 -33.4400 -10.8922 -10.8922 -9.9635 -9.9635 2.5870 2.5870 2.8908 2.8908 3.5466 3.5466 3.9539 3.9539 4.9896 4.9896 5.0548 5.0548 11.0100 11.0100 15.3678 15.3678 16.3362 16.3362 16.5777 16.5777 k = 0.2788 0.1610-0.0000 ( 2348 PWs) bands (ev): -66.8043 -66.8043 -66.7971 -66.7971 -33.7643 -33.7643 -33.7393 -33.7393 -33.4799 -33.4799 -33.4766 -33.4766 -33.4587 -33.4587 -33.4404 -33.4404 -10.8730 -10.8730 -9.9693 -9.9693 2.6214 2.6214 2.8360 2.8360 3.5305 3.5305 3.9299 3.9299 4.9931 4.9931 5.0228 5.0228 11.1113 11.1113 15.2928 15.2928 16.2656 16.2656 16.6573 16.6573 k = 0.2885 0.1665-0.0000 ( 2346 PWs) bands (ev): -66.8042 -66.8042 -66.7972 -66.7972 -33.7641 -33.7641 -33.7398 -33.7398 -33.4795 -33.4795 -33.4766 -33.4766 -33.4592 -33.4592 -33.4409 -33.4409 -10.8536 -10.8536 -9.9754 -9.9754 2.6565 2.6565 2.7823 2.7823 3.5150 3.5150 3.9069 3.9069 4.9783 4.9783 5.0083 5.0083 11.2110 11.2110 15.2181 15.2181 16.1959 16.1959 16.7380 16.7380 k = 0.2981 0.1721-0.0000 ( 2348 PWs) bands (ev): -66.8041 -66.8041 -66.7973 -66.7973 -33.7639 -33.7639 -33.7404 -33.7404 -33.4792 -33.4792 -33.4766 -33.4766 -33.4597 -33.4597 -33.4413 -33.4413 -10.8341 -10.8341 -9.9818 -9.9818 2.6921 2.6921 2.7302 2.7302 3.4998 3.4998 3.8849 3.8849 4.9450 4.9450 5.0112 5.0112 11.3090 11.3090 15.1447 15.1447 16.1276 16.1276 16.8185 16.8185 k = 0.3077 0.1776-0.0000 ( 2348 PWs) bands (ev): -66.8040 -66.8040 -66.7974 -66.7974 -33.7637 -33.7637 -33.7409 -33.7409 -33.4788 -33.4788 -33.4767 -33.4767 -33.4602 -33.4602 -33.4418 -33.4418 -10.8145 -10.8145 -9.9885 -9.9885 2.6789 2.6789 2.7288 2.7288 3.4851 3.4851 3.8639 3.8639 4.9092 4.9092 5.0159 5.0159 11.4049 11.4049 15.0732 15.0732 16.0609 16.0609 16.8973 16.8973 k = 0.3173 0.1832-0.0000 ( 2352 PWs) bands (ev): -66.8039 -66.8039 -66.7975 -66.7975 -33.7635 -33.7635 -33.7415 -33.7415 -33.4785 -33.4785 -33.4767 -33.4767 -33.4607 -33.4607 -33.4422 -33.4422 -10.7949 -10.7949 -9.9956 -9.9956 2.6298 2.6298 2.7654 2.7654 3.4709 3.4709 3.8439 3.8439 4.8725 4.8725 5.0207 5.0207 11.4985 11.4985 15.0039 15.0039 15.9960 15.9960 16.9734 16.9734 k = 0.3269 0.1887-0.0000 ( 2360 PWs) bands (ev): -66.8037 -66.8037 -66.7976 -66.7976 -33.7633 -33.7633 -33.7420 -33.7420 -33.4782 -33.4782 -33.4767 -33.4767 -33.4612 -33.4612 -33.4427 -33.4427 -10.7753 -10.7753 -10.0029 -10.0029 2.5823 2.5823 2.8023 2.8023 3.4572 3.4572 3.8249 3.8249 4.8354 4.8354 5.0253 5.0253 11.5895 11.5895 14.9373 14.9373 15.9332 15.9332 17.0453 17.0453 k = 0.3365 0.1943-0.0000 ( 2364 PWs) bands (ev): -66.8036 -66.8036 -66.7977 -66.7977 -33.7631 -33.7631 -33.7425 -33.7425 -33.4779 -33.4779 -33.4767 -33.4767 -33.4617 -33.4617 -33.4431 -33.4431 -10.7558 -10.7558 -10.0105 -10.0105 2.5367 2.5367 2.8396 2.8396 3.4441 3.4441 3.8069 3.8069 4.7980 4.7980 5.0297 5.0297 11.6777 11.6777 14.8737 14.8737 15.8727 15.8727 17.1121 17.1121 k = 0.3462 0.1999-0.0000 ( 2360 PWs) bands (ev): -66.8035 -66.8035 -66.7977 -66.7977 -33.7628 -33.7628 -33.7431 -33.7431 -33.4777 -33.4777 -33.4765 -33.4765 -33.4622 -33.4622 -33.4435 -33.4435 -10.7365 -10.7365 -10.0184 -10.0184 2.4933 2.4933 2.8770 2.8770 3.4317 3.4317 3.7899 3.7899 4.7604 4.7604 5.0339 5.0339 11.7627 11.7627 14.8132 14.8132 15.8147 15.8147 17.1725 17.1725 k = 0.3558 0.2054-0.0000 ( 2360 PWs) bands (ev): -66.8034 -66.8034 -66.7978 -66.7978 -33.7625 -33.7625 -33.7436 -33.7436 -33.4775 -33.4775 -33.4763 -33.4763 -33.4626 -33.4626 -33.4439 -33.4439 -10.7174 -10.7174 -10.0265 -10.0265 2.4519 2.4519 2.9145 2.9145 3.4198 3.4198 3.7739 3.7739 4.7228 4.7228 5.0378 5.0378 11.8443 11.8443 14.7560 14.7560 15.7594 15.7594 17.2253 17.2253 k = 0.3654 0.2110-0.0000 ( 2356 PWs) bands (ev): -66.8033 -66.8033 -66.7979 -66.7979 -33.7623 -33.7623 -33.7441 -33.7441 -33.4774 -33.4774 -33.4760 -33.4760 -33.4631 -33.4631 -33.4443 -33.4443 -10.6986 -10.6986 -10.0347 -10.0347 2.4128 2.4128 2.9518 2.9518 3.4087 3.4087 3.7589 3.7589 4.6854 4.6854 5.0414 5.0414 11.9223 11.9223 14.7021 14.7021 15.7070 15.7070 17.2698 17.2698 k = 0.3750 0.2165-0.0000 ( 2352 PWs) bands (ev): -66.8031 -66.8031 -66.7980 -66.7980 -33.7620 -33.7620 -33.7446 -33.7446 -33.4773 -33.4773 -33.4757 -33.4757 -33.4636 -33.4636 -33.4447 -33.4447 -10.6802 -10.6802 -10.0431 -10.0431 2.3760 2.3760 2.9887 2.9887 3.3982 3.3982 3.7449 3.7449 4.6484 4.6484 5.0449 5.0449 11.9963 11.9963 14.6517 14.6517 15.6576 15.6576 17.3054 17.3054 k = 0.3846 0.2221-0.0000 ( 2356 PWs) bands (ev): -66.8030 -66.8030 -66.7981 -66.7981 -33.7618 -33.7618 -33.7451 -33.7451 -33.4773 -33.4773 -33.4753 -33.4753 -33.4640 -33.4640 -33.4450 -33.4450 -10.6623 -10.6623 -10.0516 -10.0516 2.3416 2.3416 3.0251 3.0251 3.3884 3.3884 3.7318 3.7318 4.6119 4.6119 5.0480 5.0480 12.0660 12.0660 14.6050 14.6050 15.6113 15.6113 17.3322 17.3322 k = 0.3942 0.2276-0.0000 ( 2360 PWs) bands (ev): -66.8029 -66.8029 -66.7982 -66.7982 -33.7615 -33.7615 -33.7456 -33.7456 -33.4773 -33.4773 -33.4750 -33.4750 -33.4645 -33.4645 -33.4454 -33.4454 -10.6451 -10.6451 -10.0600 -10.0600 2.3097 2.3097 3.0606 3.0606 3.3793 3.3793 3.7198 3.7198 4.5761 4.5761 5.0508 5.0508 12.1313 12.1313 14.5618 14.5618 15.5684 15.5684 17.3505 17.3505 k = 0.4038 0.2332-0.0000 ( 2360 PWs) bands (ev): -66.8028 -66.8028 -66.7983 -66.7983 -33.7613 -33.7613 -33.7460 -33.7460 -33.4773 -33.4773 -33.4746 -33.4746 -33.4650 -33.4650 -33.4457 -33.4457 -10.6285 -10.6285 -10.0684 -10.0684 2.2804 2.2804 3.0952 3.0952 3.3710 3.3710 3.7089 3.7089 4.5414 4.5414 5.0534 5.0534 12.1919 12.1919 14.5224 14.5224 15.5288 15.5288 17.3616 17.3616 k = 0.4135 0.2387-0.0000 ( 2360 PWs) bands (ev): -66.8027 -66.8027 -66.7983 -66.7983 -33.7611 -33.7611 -33.7464 -33.7464 -33.4773 -33.4773 -33.4742 -33.4742 -33.4654 -33.4654 -33.4460 -33.4460 -10.6128 -10.6128 -10.0766 -10.0766 2.2536 2.2536 3.1284 3.1284 3.3634 3.3634 3.6990 3.6990 4.5080 4.5080 5.0557 5.0557 12.2474 12.2474 14.4868 14.4868 15.4927 15.4927 17.3665 17.3665 k = 0.4231 0.2443-0.0000 ( 2352 PWs) bands (ev): -66.8026 -66.8026 -66.7984 -66.7984 -33.7608 -33.7608 -33.7468 -33.7468 -33.4773 -33.4773 -33.4738 -33.4738 -33.4658 -33.4658 -33.4462 -33.4462 -10.5981 -10.5981 -10.0846 -10.0846 2.2297 2.2297 3.1599 3.1599 3.3566 3.3566 3.6901 3.6901 4.4764 4.4764 5.0578 5.0578 12.2978 12.2978 14.4549 14.4549 15.4602 15.4602 17.3668 17.3668 k = 0.4327 0.2498-0.0000 ( 2350 PWs) bands (ev): -66.8025 -66.8025 -66.7985 -66.7985 -33.7606 -33.7606 -33.7471 -33.7471 -33.4773 -33.4773 -33.4734 -33.4734 -33.4662 -33.4662 -33.4465 -33.4465 -10.5845 -10.5845 -10.0921 -10.0921 2.2084 2.2084 3.1893 3.1893 3.3505 3.3505 3.6822 3.6822 4.4468 4.4468 5.0596 5.0596 12.3428 12.3428 14.4269 14.4269 15.4313 15.4313 17.3639 17.3639 k = 0.4423 0.2554-0.0000 ( 2352 PWs) bands (ev): -66.8025 -66.8025 -66.7986 -66.7986 -33.7604 -33.7604 -33.7475 -33.7475 -33.4773 -33.4773 -33.4731 -33.4731 -33.4666 -33.4666 -33.4467 -33.4467 -10.5723 -10.5723 -10.0990 -10.0990 2.1898 2.1898 3.2163 3.2163 3.3453 3.3453 3.6754 3.6754 4.4197 4.4197 5.0612 5.0612 12.3822 12.3822 14.4026 14.4026 15.4062 15.4062 17.3589 17.3589 k = 0.4519 0.2609-0.0000 ( 2348 PWs) bands (ev): -66.8024 -66.8024 -66.7986 -66.7986 -33.7602 -33.7602 -33.7478 -33.7478 -33.4772 -33.4772 -33.4727 -33.4727 -33.4670 -33.4670 -33.4469 -33.4469 -10.5615 -10.5615 -10.1053 -10.1053 2.1740 2.1740 3.2403 3.2403 3.3409 3.3409 3.6697 3.6697 4.3957 4.3957 5.0625 5.0625 12.4158 12.4158 14.3821 14.3821 15.3848 15.3848 17.3530 17.3530 k = 0.4615 0.2665-0.0000 ( 2344 PWs) bands (ev): -66.8023 -66.8023 -66.7987 -66.7987 -33.7601 -33.7601 -33.7480 -33.7480 -33.4772 -33.4772 -33.4724 -33.4724 -33.4673 -33.4673 -33.4470 -33.4470 -10.5524 -10.5524 -10.1107 -10.1107 2.1610 2.1610 3.2607 3.2607 3.3373 3.3373 3.6650 3.6650 4.3751 4.3751 5.0636 5.0636 12.4435 12.4435 14.3654 14.3654 15.3673 15.3673 17.3470 17.3470 k = 0.4712 0.2720-0.0000 ( 2344 PWs) bands (ev): -66.8023 -66.8023 -66.7987 -66.7987 -33.7600 -33.7600 -33.7482 -33.7482 -33.4773 -33.4773 -33.4721 -33.4721 -33.4676 -33.4676 -33.4471 -33.4471 -10.5451 -10.5451 -10.1151 -10.1151 2.1510 2.1510 3.2772 3.2772 3.3345 3.3345 3.6613 3.6613 4.3585 4.3585 5.0644 5.0644 12.4651 12.4651 14.3524 14.3524 15.3536 15.3536 17.3417 17.3417 k = 0.4808 0.2776-0.0000 ( 2340 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7598 -33.7598 -33.7483 -33.7483 -33.4772 -33.4772 -33.4719 -33.4719 -33.4678 -33.4678 -33.4472 -33.4472 -10.5397 -10.5397 -10.1184 -10.1184 2.1437 2.1437 3.2892 3.2892 3.3327 3.3327 3.6588 3.6588 4.3462 4.3462 5.0650 5.0650 12.4807 12.4807 14.3432 14.3432 15.3438 15.3438 17.3375 17.3375 k = 0.4904 0.2831-0.0000 ( 2340 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7598 -33.7598 -33.7484 -33.7484 -33.4772 -33.4772 -33.4717 -33.4717 -33.4680 -33.4680 -33.4473 -33.4473 -10.5365 -10.5365 -10.1204 -10.1204 2.1394 2.1394 3.2965 3.2965 3.3317 3.3317 3.6572 3.6572 4.3387 4.3387 5.0653 5.0653 12.4900 12.4900 14.3377 14.3377 15.3379 15.3379 17.3349 17.3349 k = 0.5000 0.2887-0.0000 ( 2330 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7597 -33.7597 -33.7484 -33.7484 -33.4772 -33.4772 -33.4716 -33.4716 -33.4680 -33.4680 -33.4473 -33.4473 -10.5354 -10.5354 -10.1211 -10.1211 2.1380 2.1380 3.2990 3.2990 3.3313 3.3313 3.6567 3.6567 4.3362 4.3362 5.0655 5.0655 12.4932 12.4932 14.3358 14.3358 15.3360 15.3360 17.3340 17.3340 k = 0.5000 0.2887-0.0000 ( 2330 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7597 -33.7597 -33.7484 -33.7484 -33.4772 -33.4772 -33.4716 -33.4716 -33.4680 -33.4680 -33.4473 -33.4473 -10.5354 -10.5354 -10.1211 -10.1211 2.1380 2.1380 3.2990 3.2990 3.3313 3.3313 3.6567 3.6567 4.3362 4.3362 5.0655 5.0655 12.4932 12.4932 14.3358 14.3358 15.3360 15.3360 17.3340 17.3340 k = 0.4944 0.2983-0.0000 ( 2336 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7598 -33.7598 -33.7484 -33.7484 -33.4772 -33.4772 -33.4716 -33.4716 -33.4680 -33.4680 -33.4473 -33.4473 -10.5350 -10.5350 -10.1213 -10.1213 2.1380 2.1380 3.2995 3.2995 3.3311 3.3311 3.6567 3.6567 4.3356 4.3356 5.0643 5.0643 12.4941 12.4941 14.3384 14.3384 15.3333 15.3333 17.3332 17.3332 k = 0.4889 0.3079-0.0000 ( 2336 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7597 -33.7597 -33.7485 -33.7485 -33.4772 -33.4772 -33.4717 -33.4717 -33.4679 -33.4679 -33.4473 -33.4473 -10.5341 -10.5341 -10.1218 -10.1218 2.1382 2.1382 3.3013 3.3013 3.3303 3.3303 3.6567 3.6567 4.3340 4.3340 5.0612 5.0612 12.4967 12.4967 14.3463 14.3463 15.3253 15.3253 17.3308 17.3308 k = 0.4833 0.3175-0.0000 ( 2340 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7597 -33.7597 -33.7485 -33.7485 -33.4772 -33.4772 -33.4717 -33.4717 -33.4679 -33.4679 -33.4474 -33.4474 -10.5326 -10.5326 -10.1227 -10.1227 2.1384 2.1384 3.3041 3.3041 3.3290 3.3290 3.6566 3.6566 4.3313 4.3313 5.0559 5.0559 12.5010 12.5010 14.3595 14.3595 15.3123 15.3123 17.3267 17.3267 k = 0.4778 0.3272-0.0000 ( 2340 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7597 -33.7597 -33.7486 -33.7486 -33.4772 -33.4772 -33.4718 -33.4718 -33.4678 -33.4678 -33.4475 -33.4475 -10.5304 -10.5304 -10.1239 -10.1239 2.1386 2.1386 3.3081 3.3081 3.3276 3.3276 3.6565 3.6565 4.3276 4.3276 5.0487 5.0487 12.5069 12.5069 14.3777 14.3777 15.2944 15.2944 17.3208 17.3208 k = 0.4722 0.3368-0.0000 ( 2342 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7597 -33.7597 -33.7486 -33.7486 -33.4772 -33.4772 -33.4719 -33.4719 -33.4676 -33.4676 -33.4476 -33.4476 -10.5276 -10.5276 -10.1254 -10.1254 2.1389 2.1389 3.3125 3.3125 3.3264 3.3264 3.6563 3.6563 4.3228 4.3228 5.0395 5.0395 12.5144 12.5144 14.4011 14.4011 15.2720 15.2720 17.3129 17.3129 k = 0.4667 0.3464-0.0000 ( 2342 PWs) bands (ev): -66.8021 -66.8021 -66.7988 -66.7988 -33.7596 -33.7596 -33.7487 -33.7487 -33.4772 -33.4772 -33.4720 -33.4720 -33.4675 -33.4675 -33.4477 -33.4477 -10.5242 -10.5242 -10.1274 -10.1274 2.1392 2.1392 3.3154 3.3154 3.3276 3.3276 3.6561 3.6561 4.3169 4.3169 5.0285 5.0285 12.5234 12.5234 14.4294 14.4294 15.2456 15.2456 17.3027 17.3027 k = 0.4611 0.3560-0.0000 ( 2344 PWs) bands (ev): -66.8021 -66.8021 -66.7988 -66.7988 -33.7595 -33.7595 -33.7489 -33.7489 -33.4772 -33.4772 -33.4722 -33.4722 -33.4673 -33.4673 -33.4479 -33.4479 -10.5202 -10.5202 -10.1297 -10.1297 2.1394 2.1394 3.3150 3.3150 3.3332 3.3332 3.6556 3.6556 4.3099 4.3099 5.0158 5.0158 12.5337 12.5337 14.4625 14.4625 15.2156 15.2156 17.2901 17.2901 k = 0.4556 0.3657-0.0000 ( 2344 PWs) bands (ev): -66.8021 -66.8021 -66.7989 -66.7989 -33.7594 -33.7594 -33.7490 -33.7490 -33.4772 -33.4772 -33.4723 -33.4723 -33.4671 -33.4671 -33.4481 -33.4481 -10.5156 -10.5156 -10.1323 -10.1323 2.1396 2.1396 3.3127 3.3127 3.3418 3.3418 3.6549 3.6549 4.3018 4.3018 5.0016 5.0016 12.5452 12.5452 14.5003 14.5003 15.1825 15.1825 17.2748 17.2748 k = 0.4500 0.3753-0.0000 ( 2352 PWs) bands (ev): -66.8020 -66.8020 -66.7989 -66.7989 -33.7594 -33.7594 -33.7491 -33.7491 -33.4772 -33.4772 -33.4725 -33.4725 -33.4669 -33.4669 -33.4483 -33.4483 -10.5105 -10.5105 -10.1354 -10.1354 2.1396 2.1396 3.3099 3.3099 3.3520 3.3520 3.6539 3.6539 4.2927 4.2927 4.9860 4.9860 12.5578 12.5578 14.5425 14.5425 15.1469 15.1469 17.2564 17.2564 k = 0.4444 0.3849-0.0000 ( 2356 PWs) bands (ev): -66.8020 -66.8020 -66.7989 -66.7989 -33.7593 -33.7593 -33.7493 -33.7493 -33.4772 -33.4772 -33.4726 -33.4726 -33.4667 -33.4667 -33.4486 -33.4486 -10.5048 -10.5048 -10.1388 -10.1388 2.1395 2.1395 3.3070 3.3070 3.3637 3.3637 3.6526 3.6526 4.2824 4.2824 4.9693 4.9693 12.5713 12.5713 14.5891 14.5891 15.1093 15.1093 17.2347 17.2347 k = 0.4389 0.3945-0.0000 ( 2354 PWs) bands (ev): -66.8020 -66.8020 -66.7990 -66.7990 -33.7592 -33.7592 -33.7494 -33.7494 -33.4771 -33.4771 -33.4727 -33.4727 -33.4665 -33.4665 -33.4488 -33.4488 -10.4985 -10.4985 -10.1426 -10.1426 2.1391 2.1391 3.3044 3.3044 3.3768 3.3768 3.6509 3.6509 4.2710 4.2710 4.9517 4.9517 12.5856 12.5856 14.6397 14.6397 15.0702 15.0702 17.2094 17.2094 k = 0.4333 0.4041-0.0000 ( 2354 PWs) bands (ev): -66.8019 -66.8019 -66.7990 -66.7990 -33.7591 -33.7591 -33.7496 -33.7496 -33.4771 -33.4771 -33.4729 -33.4729 -33.4662 -33.4662 -33.4490 -33.4490 -10.4917 -10.4917 -10.1468 -10.1468 2.1385 2.1385 3.3022 3.3022 3.3910 3.3910 3.6486 3.6486 4.2585 4.2585 4.9334 4.9334 12.6005 12.6005 14.6942 14.6942 15.0302 15.0302 17.1802 17.1802 k = 0.4278 0.4138-0.0000 ( 2354 PWs) bands (ev): -66.8018 -66.8018 -66.7991 -66.7991 -33.7590 -33.7590 -33.7498 -33.7498 -33.4771 -33.4771 -33.4730 -33.4730 -33.4660 -33.4660 -33.4493 -33.4493 -10.4843 -10.4843 -10.1514 -10.1514 2.1375 2.1375 3.3005 3.3005 3.4065 3.4065 3.6458 3.6458 4.2448 4.2448 4.9145 4.9145 12.6158 12.6158 14.7524 14.7524 14.9897 14.9897 17.1469 17.1469 k = 0.4222 0.4234-0.0000 ( 2354 PWs) bands (ev): -66.8018 -66.8018 -66.7991 -66.7991 -33.7588 -33.7588 -33.7500 -33.7500 -33.4770 -33.4770 -33.4732 -33.4732 -33.4657 -33.4657 -33.4496 -33.4496 -10.4765 -10.4765 -10.1564 -10.1564 2.1362 2.1362 3.2995 3.2995 3.4232 3.4232 3.6422 3.6422 4.2300 4.2300 4.8955 4.8955 12.6314 12.6314 14.8139 14.8139 14.9492 14.9492 17.1094 17.1094 k = 0.4167 0.4330-0.0000 ( 2350 PWs) bands (ev): -66.8017 -66.8017 -66.7992 -66.7992 -33.7587 -33.7587 -33.7502 -33.7502 -33.4770 -33.4770 -33.4733 -33.4733 -33.4654 -33.4654 -33.4499 -33.4499 -10.4682 -10.4682 -10.1618 -10.1618 2.1345 2.1345 3.2994 3.2994 3.4411 3.4411 3.6379 3.6379 4.2140 4.2140 4.8764 4.8764 12.6470 12.6470 14.8785 14.8785 14.9090 14.9090 17.0676 17.0676 k = 0.4111 0.4426-0.0000 ( 2350 PWs) bands (ev): -66.8017 -66.8017 -66.7992 -66.7992 -33.7585 -33.7585 -33.7504 -33.7504 -33.4769 -33.4769 -33.4735 -33.4735 -33.4651 -33.4651 -33.4502 -33.4502 -10.4594 -10.4594 -10.1677 -10.1677 2.1325 2.1325 3.3003 3.3003 3.4601 3.4601 3.6328 3.6328 4.1969 4.1969 4.8576 4.8576 12.6625 12.6625 14.8696 14.8696 14.9461 14.9461 17.0215 17.0215 k = 0.4056 0.4523-0.0000 ( 2350 PWs) bands (ev): -66.8016 -66.8016 -66.7993 -66.7993 -33.7583 -33.7583 -33.7507 -33.7507 -33.4769 -33.4769 -33.4736 -33.4736 -33.4649 -33.4649 -33.4506 -33.4506 -10.4501 -10.4501 -10.1740 -10.1740 2.1301 2.1301 3.3023 3.3023 3.4803 3.4803 3.6266 3.6266 4.1786 4.1786 4.8392 4.8392 12.6778 12.6778 14.8315 14.8315 15.0162 15.0162 16.9711 16.9711 k = 0.4000 0.4619-0.0000 ( 2340 PWs) bands (ev): -66.8015 -66.8015 -66.7993 -66.7993 -33.7581 -33.7581 -33.7509 -33.7509 -33.4768 -33.4768 -33.4738 -33.4738 -33.4646 -33.4646 -33.4509 -33.4509 -10.4404 -10.4404 -10.1808 -10.1808 2.1274 2.1274 3.3055 3.3055 3.5016 3.5016 3.6195 3.6195 4.1592 4.1592 4.8215 4.8215 12.6927 12.6927 14.7948 14.7948 15.0886 15.0886 16.9165 16.9165 k = 0.3944 0.4715-0.0000 ( 2336 PWs) bands (ev): -66.8014 -66.8014 -66.7994 -66.7994 -33.7579 -33.7579 -33.7511 -33.7511 -33.4767 -33.4767 -33.4739 -33.4739 -33.4643 -33.4643 -33.4512 -33.4512 -10.4303 -10.4303 -10.1880 -10.1880 2.1244 2.1244 3.3100 3.3100 3.5239 3.5239 3.6114 3.6114 4.1386 4.1386 4.8047 4.8047 12.7070 12.7070 14.7599 14.7599 15.1630 15.1630 16.8580 16.8580 k = 0.3889 0.4811-0.0000 ( 2344 PWs) bands (ev): -66.8014 -66.8014 -66.7995 -66.7995 -33.7578 -33.7578 -33.7514 -33.7514 -33.4767 -33.4767 -33.4741 -33.4741 -33.4640 -33.4640 -33.4515 -33.4515 -10.4199 -10.4199 -10.1957 -10.1957 2.1210 2.1210 3.3157 3.3157 3.5470 3.5470 3.6022 3.6022 4.1168 4.1168 4.7889 4.7889 12.7206 12.7206 14.7271 14.7271 15.2392 15.2392 16.7958 16.7958 k = 0.3833 0.4907-0.0000 ( 2344 PWs) bands (ev): -66.8013 -66.8013 -66.7996 -66.7996 -33.7576 -33.7576 -33.7516 -33.7516 -33.4767 -33.4767 -33.4742 -33.4742 -33.4637 -33.4637 -33.4519 -33.4519 -10.4090 -10.4090 -10.2038 -10.2038 2.1175 2.1175 3.3228 3.3228 3.5700 3.5700 3.5932 3.5932 4.0938 4.0938 4.7743 4.7743 12.7334 12.7334 14.6966 14.6966 15.3169 15.3169 16.7301 16.7301 k = 0.3778 0.5004-0.0000 ( 2344 PWs) bands (ev): -66.8012 -66.8012 -66.7997 -66.7997 -33.7574 -33.7574 -33.7519 -33.7519 -33.4766 -33.4766 -33.4743 -33.4743 -33.4635 -33.4635 -33.4522 -33.4522 -10.3979 -10.3979 -10.2125 -10.2125 2.1138 2.1138 3.3313 3.3313 3.5765 3.5765 3.6005 3.6005 4.0697 4.0697 4.7612 4.7612 12.7453 12.7453 14.6686 14.6686 15.3959 15.3959 16.6614 16.6614 k = 0.3722 0.5100-0.0000 ( 2340 PWs) bands (ev): -66.8011 -66.8011 -66.7997 -66.7997 -33.7571 -33.7571 -33.7522 -33.7522 -33.4765 -33.4765 -33.4744 -33.4744 -33.4632 -33.4632 -33.4525 -33.4525 -10.3864 -10.3864 -10.2216 -10.2216 2.1101 2.1101 3.3413 3.3413 3.5650 3.5650 3.6256 3.6256 4.0444 4.0444 4.7495 4.7495 12.7562 12.7562 14.6435 14.6435 15.4758 15.4758 16.5898 16.5898 k = 0.3667 0.5196-0.0000 ( 2346 PWs) bands (ev): -66.8010 -66.8010 -66.7998 -66.7998 -33.7569 -33.7569 -33.7525 -33.7525 -33.4765 -33.4765 -33.4746 -33.4746 -33.4630 -33.4630 -33.4528 -33.4528 -10.3746 -10.3746 -10.2312 -10.2312 2.1065 2.1065 3.3526 3.3526 3.5512 3.5512 3.6528 3.6528 4.0180 4.0180 4.7393 4.7393 12.7659 12.7659 14.6212 14.6212 15.5564 15.5564 16.5159 16.5159 k = 0.3611 0.5292-0.0000 ( 2350 PWs) bands (ev): -66.8009 -66.8009 -66.7999 -66.7999 -33.7567 -33.7567 -33.7527 -33.7527 -33.4764 -33.4764 -33.4747 -33.4747 -33.4628 -33.4628 -33.4531 -33.4531 -10.3626 -10.3626 -10.2414 -10.2414 2.1031 2.1031 3.3653 3.3653 3.5362 3.5362 3.6812 3.6812 3.9904 3.9904 4.7307 4.7307 12.7744 12.7744 14.6021 14.6021 15.6375 15.6375 16.4398 16.4398 k = 0.3556 0.5389-0.0000 ( 2350 PWs) bands (ev): -66.8008 -66.8008 -66.8000 -66.8000 -33.7565 -33.7565 -33.7530 -33.7530 -33.4764 -33.4764 -33.4748 -33.4748 -33.4626 -33.4626 -33.4533 -33.4533 -10.3504 -10.3504 -10.2520 -10.2520 2.1000 2.1000 3.3792 3.3792 3.5201 3.5201 3.7106 3.7106 3.9618 3.9618 4.7238 4.7238 12.7816 12.7816 14.5862 14.5862 15.7189 15.7189 16.3622 16.3622 k = 0.3500 0.5485-0.0000 ( 2354 PWs) bands (ev): -66.8007 -66.8007 -66.8001 -66.8001 -33.7563 -33.7563 -33.7532 -33.7532 -33.4763 -33.4763 -33.4749 -33.4749 -33.4624 -33.4624 -33.4535 -33.4535 -10.3379 -10.3379 -10.2631 -10.2631 2.0974 2.0974 3.3943 3.3943 3.5032 3.5032 3.7408 3.7408 3.9321 3.9321 4.7186 4.7186 12.7873 12.7873 14.5737 14.5737 15.8002 15.8002 16.2833 16.2833 k = 0.3444 0.5581-0.0000 ( 2356 PWs) bands (ev): -66.8006 -66.8006 -66.8002 -66.8002 -33.7562 -33.7561 -33.7534 -33.7534 -33.4763 -33.4763 -33.4750 -33.4750 -33.4623 -33.4623 -33.4536 -33.4536 -10.3253 -10.3253 -10.2748 -10.2748 2.0953 2.0953 3.4105 3.4105 3.4857 3.4857 3.7720 3.7720 3.9014 3.9014 4.7149 4.7149 12.7916 12.7916 14.5647 14.5647 15.8815 15.8815 16.2036 16.2036 k = 0.3389 0.5677-0.0000 ( 2350 PWs) bands (ev): -66.8005 -66.8005 -66.8003 -66.8003 -33.7560 -33.7560 -33.7535 -33.7535 -33.4762 -33.4762 -33.4750 -33.4750 -33.4622 -33.4622 -33.4537 -33.4537 -10.3126 -10.3126 -10.2869 -10.2869 2.0940 2.0940 3.4272 3.4272 3.4682 3.4682 3.8041 3.8041 3.8697 3.8697 4.7128 4.7128 12.7942 12.7942 14.5592 14.5592 15.9624 15.9624 16.1235 16.1235 k = 0.3333 0.5774-0.0000 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7560 -33.7560 -33.7536 -33.7536 -33.4762 -33.4762 -33.4750 -33.4750 -33.4622 -33.4622 -33.4538 -33.4538 -10.3005 -10.3005 -10.2989 -10.2989 2.0935 2.0935 3.4390 3.4390 3.4560 3.4560 3.8367 3.8367 3.8372 3.8372 4.7121 4.7121 12.7951 12.7951 14.5574 14.5574 16.0371 16.0371 16.0490 16.0490 k = 0.3333 0.5774-0.0000 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7560 -33.7560 -33.7536 -33.7536 -33.4762 -33.4762 -33.4750 -33.4750 -33.4622 -33.4622 -33.4538 -33.4538 -10.3005 -10.3005 -10.2989 -10.2989 2.0935 2.0935 3.4390 3.4390 3.4560 3.4560 3.8367 3.8367 3.8372 3.8372 4.7121 4.7121 12.7951 12.7951 14.5574 14.5574 16.0371 16.0371 16.0490 16.0490 k = 0.3278 0.5677-0.0000 ( 2358 PWs) bands (ev): -66.8005 -66.8005 -66.8003 -66.8003 -33.7560 -33.7560 -33.7535 -33.7535 -33.4763 -33.4763 -33.4750 -33.4750 -33.4623 -33.4623 -33.4537 -33.4537 -10.3129 -10.3129 -10.2867 -10.2867 2.0940 2.0940 3.4266 3.4266 3.4687 3.4687 3.8032 3.8032 3.8705 3.8705 4.7128 4.7128 12.7942 12.7942 14.5592 14.5592 15.9629 15.9629 16.1231 16.1231 k = 0.3222 0.5581-0.0000 ( 2358 PWs) bands (ev): -66.8006 -66.8006 -66.8002 -66.8002 -33.7562 -33.7562 -33.7534 -33.7534 -33.4763 -33.4763 -33.4750 -33.4750 -33.4623 -33.4623 -33.4536 -33.4536 -10.3266 -10.3266 -10.2736 -10.2736 2.0957 2.0957 3.4082 3.4082 3.4882 3.4882 3.7687 3.7687 3.9048 3.9048 4.7147 4.7147 12.7912 12.7912 14.5648 14.5648 15.8837 15.8837 16.2022 16.2022 k = 0.3167 0.5485-0.0000 ( 2356 PWs) bands (ev): -66.8007 -66.8007 -66.8001 -66.8001 -33.7564 -33.7564 -33.7532 -33.7532 -33.4763 -33.4763 -33.4749 -33.4749 -33.4624 -33.4624 -33.4535 -33.4535 -10.3408 -10.3408 -10.2606 -10.2606 2.0986 2.0986 3.3893 3.3893 3.5089 3.5089 3.7332 3.7332 3.9399 3.9399 4.7177 4.7177 12.7861 12.7861 14.5742 14.5742 15.8058 15.8058 16.2805 16.2805 k = 0.3111 0.5389-0.0000 ( 2348 PWs) bands (ev): -66.8009 -66.8009 -66.8000 -66.8000 -33.7566 -33.7566 -33.7528 -33.7528 -33.4764 -33.4764 -33.4748 -33.4748 -33.4625 -33.4625 -33.4533 -33.4533 -10.3555 -10.3555 -10.2475 -10.2475 2.1028 2.1028 3.3705 3.3705 3.5304 3.5304 3.6970 3.6970 3.9756 3.9756 4.7219 4.7219 12.7787 12.7787 14.5873 14.5873 15.7294 15.7294 16.3580 16.3580 k = 0.3056 0.5292-0.0000 ( 2348 PWs) bands (ev): -66.8010 -66.8010 -66.7999 -66.7999 -33.7569 -33.7569 -33.7525 -33.7525 -33.4764 -33.4764 -33.4747 -33.4747 -33.4627 -33.4627 -33.4530 -33.4530 -10.3706 -10.3706 -10.2344 -10.2344 2.1085 2.1085 3.3520 3.3520 3.5524 3.5524 3.6601 3.6601 4.0119 4.0119 4.7270 4.7270 12.7688 12.7688 14.6043 14.6043 15.6552 15.6552 16.4345 16.4345 k = 0.3000 0.5196-0.0000 ( 2350 PWs) bands (ev): -66.8011 -66.8011 -66.7998 -66.7998 -33.7572 -33.7572 -33.7522 -33.7522 -33.4765 -33.4765 -33.4747 -33.4747 -33.4629 -33.4629 -33.4527 -33.4527 -10.3863 -10.3863 -10.2214 -10.2214 2.1157 2.1157 3.3340 3.3340 3.5747 3.5747 3.6227 3.6227 4.0487 4.0487 4.7329 4.7329 12.7561 12.7561 14.6250 14.6250 15.5835 15.5835 16.5101 16.5101 k = 0.2944 0.5100-0.0000 ( 2346 PWs) bands (ev): -66.8012 -66.8012 -66.7996 -66.7996 -33.7575 -33.7575 -33.7518 -33.7518 -33.4766 -33.4766 -33.4746 -33.4746 -33.4631 -33.4631 -33.4524 -33.4524 -10.4024 -10.4024 -10.2084 -10.2084 2.1247 2.1247 3.3167 3.3167 3.5815 3.5815 3.6005 3.6005 4.0861 4.0861 4.7395 4.7395 12.7404 12.7404 14.6496 14.6496 15.5148 15.5148 16.5848 16.5848 k = 0.2889 0.5004-0.0000 ( 2342 PWs) bands (ev): -66.8013 -66.8013 -66.7995 -66.7995 -33.7578 -33.7578 -33.7513 -33.7513 -33.4766 -33.4766 -33.4745 -33.4745 -33.4632 -33.4632 -33.4520 -33.4520 -10.4190 -10.4190 -10.1956 -10.1956 2.1354 2.1354 3.3001 3.3001 3.5441 3.5441 3.6222 3.6222 4.1241 4.1241 4.7467 4.7467 12.7214 12.7214 14.6778 14.6778 15.4496 15.4496 16.6585 16.6585 k = 0.2833 0.4907-0.0000 ( 2340 PWs) bands (ev): -66.8014 -66.8014 -66.7994 -66.7994 -33.7581 -33.7581 -33.7509 -33.7509 -33.4767 -33.4767 -33.4744 -33.4744 -33.4634 -33.4634 -33.4516 -33.4516 -10.4360 -10.4360 -10.1829 -10.1829 2.1479 2.1479 3.2845 3.2845 3.5047 3.5047 3.6455 3.6455 4.1624 4.1624 4.7544 4.7544 12.6989 12.6989 14.7098 14.7098 15.3885 15.3885 16.7313 16.7313 k = 0.2778 0.4811-0.0000 ( 2344 PWs) bands (ev): -66.8016 -66.8016 -66.7993 -66.7993 -33.7584 -33.7584 -33.7505 -33.7505 -33.4768 -33.4768 -33.4744 -33.4744 -33.4636 -33.4636 -33.4512 -33.4512 -10.4535 -10.4535 -10.1703 -10.1703 2.1623 2.1623 3.2700 3.2700 3.4648 3.4648 3.6690 3.6690 4.2012 4.2012 4.7625 4.7625 12.6725 12.6725 14.7455 14.7455 15.3318 15.3318 16.8030 16.8030 k = 0.2722 0.4715-0.0000 ( 2348 PWs) bands (ev): -66.8017 -66.8017 -66.7992 -66.7992 -33.7588 -33.7588 -33.7500 -33.7500 -33.4768 -33.4768 -33.4745 -33.4745 -33.4637 -33.4637 -33.4507 -33.4507 -10.4713 -10.4713 -10.1579 -10.1579 2.1786 2.1786 3.2566 3.2566 3.4244 3.4244 3.6926 3.6926 4.2403 4.2403 4.7708 4.7708 12.6421 12.6421 14.7847 14.7847 15.2801 15.2801 16.8736 16.8736 k = 0.2667 0.4619-0.0000 ( 2348 PWs) bands (ev): -66.8018 -66.8018 -66.7991 -66.7991 -33.7591 -33.7591 -33.7496 -33.7496 -33.4769 -33.4769 -33.4745 -33.4745 -33.4638 -33.4638 -33.4503 -33.4503 -10.4896 -10.4896 -10.1457 -10.1457 2.1970 2.1970 3.2444 3.2444 3.3837 3.3837 3.7162 3.7162 4.2797 4.2797 4.7795 4.7795 12.6073 12.6073 14.8275 14.8275 15.2339 15.2339 16.9431 16.9431 k = 0.2611 0.4523-0.0000 ( 2348 PWs) bands (ev): -66.8020 -66.8020 -66.7990 -66.7990 -33.7594 -33.7594 -33.7491 -33.7491 -33.4769 -33.4769 -33.4746 -33.4746 -33.4638 -33.4638 -33.4498 -33.4498 -10.5082 -10.5082 -10.1337 -10.1337 2.2175 2.2175 3.2336 3.2336 3.3427 3.3427 3.7397 3.7397 4.3193 4.3193 4.7883 4.7883 12.5680 12.5680 14.8738 14.8738 15.1934 15.1934 17.0113 17.0113 k = 0.2556 0.4426-0.0000 ( 2344 PWs) bands (ev): -66.8021 -66.8021 -66.7988 -66.7988 -33.7597 -33.7597 -33.7486 -33.7486 -33.4769 -33.4769 -33.4747 -33.4747 -33.4638 -33.4638 -33.4493 -33.4493 -10.5271 -10.5271 -10.1219 -10.1219 2.2401 2.2401 3.2243 3.2243 3.3015 3.3015 3.7631 3.7631 4.3592 4.3592 4.7971 4.7971 12.5240 12.5240 14.9235 14.9235 15.1591 15.1591 17.0778 17.0778 k = 0.2500 0.4330-0.0000 ( 2348 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7601 -33.7601 -33.7481 -33.7481 -33.4770 -33.4770 -33.4748 -33.4748 -33.4638 -33.4638 -33.4488 -33.4488 -10.5463 -10.5463 -10.1103 -10.1103 2.2647 2.2647 3.2161 3.2161 3.2603 3.2603 3.7862 3.7862 4.3992 4.3992 4.8060 4.8060 12.4751 12.4751 14.9764 14.9764 15.1312 15.1312 17.1421 17.1421 k = 0.2444 0.4234-0.0000 ( 2348 PWs) bands (ev): -66.8024 -66.8024 -66.7986 -66.7986 -33.7604 -33.7604 -33.7476 -33.7476 -33.4770 -33.4770 -33.4750 -33.4750 -33.4637 -33.4637 -33.4483 -33.4483 -10.5658 -10.5658 -10.0991 -10.0991 2.2915 2.2915 3.2071 3.2071 3.2215 3.2215 3.8090 3.8090 4.4393 4.4393 4.8147 4.8147 12.4213 12.4213 15.0326 15.0326 15.1099 15.1099 17.2031 17.2031 k = 0.2389 0.4138-0.0000 ( 2352 PWs) bands (ev): -66.8025 -66.8025 -66.7985 -66.7985 -33.7607 -33.7607 -33.7470 -33.7470 -33.4771 -33.4771 -33.4752 -33.4752 -33.4635 -33.4635 -33.4478 -33.4478 -10.5856 -10.5856 -10.0881 -10.0881 2.3204 2.3204 3.1750 3.1750 3.2075 3.2075 3.8315 3.8315 4.4795 4.4795 4.8233 4.8233 12.3627 12.3627 15.0915 15.0915 15.0957 15.0957 17.2589 17.2589 k = 0.2333 0.4041-0.0000 ( 2356 PWs) bands (ev): -66.8026 -66.8026 -66.7984 -66.7984 -33.7610 -33.7610 -33.7465 -33.7465 -33.4771 -33.4771 -33.4754 -33.4754 -33.4634 -33.4634 -33.4473 -33.4473 -10.6056 -10.6056 -10.0774 -10.0774 2.3514 2.3514 3.1341 3.1341 3.2038 3.2038 3.8536 3.8536 4.5196 4.5196 4.8317 4.8317 12.2991 12.2991 15.0877 15.0877 15.1541 15.1541 17.3061 17.3061 k = 0.2278 0.3945-0.0000 ( 2356 PWs) bands (ev): -66.8028 -66.8028 -66.7983 -66.7983 -33.7613 -33.7613 -33.7460 -33.7460 -33.4771 -33.4771 -33.4757 -33.4757 -33.4631 -33.4631 -33.4468 -33.4468 -10.6258 -10.6258 -10.0671 -10.0671 2.3846 2.3846 3.0928 3.0928 3.2024 3.2024 3.8754 3.8754 4.5598 4.5598 4.8399 4.8399 12.2309 12.2309 15.0869 15.0869 15.2192 15.2192 17.3383 17.3383 k = 0.2222 0.3849-0.0000 ( 2356 PWs) bands (ev): -66.8029 -66.8029 -66.7982 -66.7982 -33.7616 -33.7616 -33.7454 -33.7454 -33.4772 -33.4772 -33.4760 -33.4760 -33.4629 -33.4629 -33.4463 -33.4463 -10.6462 -10.6462 -10.0570 -10.0570 2.4200 2.4200 3.0516 3.0516 3.2027 3.2027 3.8967 3.8967 4.5998 4.5998 4.8478 4.8478 12.1582 12.1582 15.0929 15.0929 15.2870 15.2870 17.3468 17.3468 k = 0.2167 0.3753-0.0000 ( 2356 PWs) bands (ev): -66.8030 -66.8030 -66.7981 -66.7981 -33.7619 -33.7619 -33.7449 -33.7449 -33.4772 -33.4772 -33.4762 -33.4762 -33.4626 -33.4626 -33.4458 -33.4458 -10.6666 -10.6666 -10.0473 -10.0473 2.4574 2.4574 3.0105 3.0105 3.2049 3.2049 3.9176 3.9176 4.6396 4.6396 4.8553 4.8553 12.0812 12.0812 15.1055 15.1055 15.3573 15.3573 17.3247 17.3247 k = 0.2111 0.3657-0.0000 ( 2358 PWs) bands (ev): -66.8032 -66.8032 -66.7980 -66.7980 -33.7622 -33.7622 -33.7443 -33.7443 -33.4773 -33.4773 -33.4765 -33.4765 -33.4623 -33.4623 -33.4452 -33.4452 -10.6872 -10.6872 -10.0379 -10.0379 2.4968 2.4968 2.9698 2.9698 3.2087 3.2087 3.9380 3.9380 4.6792 4.6792 4.8625 4.8625 12.0002 12.0002 15.1246 15.1246 15.4300 15.4300 17.2745 17.2745 k = 0.2056 0.3560-0.0000 ( 2366 PWs) bands (ev): -66.8033 -66.8033 -66.7979 -66.7979 -33.7625 -33.7625 -33.7438 -33.7438 -33.4774 -33.4774 -33.4767 -33.4767 -33.4620 -33.4620 -33.4447 -33.4447 -10.7079 -10.7079 -10.0289 -10.0289 2.5384 2.5384 2.9292 2.9292 3.2143 3.2143 3.9579 3.9579 4.7185 4.7185 4.8692 4.8692 11.9154 11.9154 15.1499 15.1499 15.5049 15.5049 17.2048 17.2048 k = 0.2000 0.3464-0.0000 ( 2370 PWs) bands (ev): -66.8034 -66.8034 -66.7978 -66.7978 -33.7628 -33.7628 -33.7433 -33.7433 -33.4776 -33.4776 -33.4768 -33.4768 -33.4616 -33.4616 -33.4442 -33.4442 -10.7285 -10.7285 -10.0202 -10.0202 2.5818 2.5818 2.8892 2.8892 3.2215 3.2215 3.9774 3.9774 4.7574 4.7574 4.8755 4.8755 11.8272 11.8272 15.1814 15.1814 15.5818 15.5818 17.1237 17.1237 k = 0.1944 0.3368-0.0000 ( 2366 PWs) bands (ev): -66.8036 -66.8036 -66.7977 -66.7977 -33.7630 -33.7630 -33.7427 -33.7427 -33.4779 -33.4779 -33.4769 -33.4769 -33.4612 -33.4612 -33.4437 -33.4437 -10.7492 -10.7492 -10.0119 -10.0119 2.6272 2.6272 2.8496 2.8496 3.2306 3.2306 3.9964 3.9964 4.7958 4.7958 4.8816 4.8816 11.7360 11.7360 15.2187 15.2187 15.6605 15.6605 17.0361 17.0361 k = 0.1889 0.3272-0.0000 ( 2366 PWs) bands (ev): -66.8037 -66.8037 -66.7976 -66.7976 -33.7633 -33.7633 -33.7421 -33.7421 -33.4782 -33.4782 -33.4769 -33.4769 -33.4608 -33.4608 -33.4432 -33.4432 -10.7698 -10.7698 -10.0039 -10.0039 2.6744 2.6744 2.8105 2.8105 3.2412 3.2412 4.0150 4.0150 4.8332 4.8332 4.8876 4.8876 11.6418 11.6418 15.2617 15.2617 15.7409 15.7409 16.9450 16.9450 k = 0.1833 0.3175-0.0000 ( 2362 PWs) bands (ev): -66.8038 -66.8038 -66.7975 -66.7975 -33.7635 -33.7635 -33.7416 -33.7416 -33.4786 -33.4786 -33.4768 -33.4768 -33.4604 -33.4604 -33.4427 -33.4427 -10.7903 -10.7903 -9.9963 -9.9963 2.7232 2.7232 2.7720 2.7720 3.2536 3.2536 4.0332 4.0332 4.8681 4.8681 4.8952 4.8952 11.5451 11.5451 15.3100 15.3100 15.8226 15.8226 16.8520 16.8520 k = 0.1778 0.3079-0.0000 ( 2366 PWs) bands (ev): -66.8040 -66.8040 -66.7974 -66.7974 -33.7637 -33.7637 -33.7410 -33.7410 -33.4789 -33.4789 -33.4768 -33.4768 -33.4600 -33.4600 -33.4422 -33.4422 -10.8107 -10.8107 -9.9891 -9.9891 2.7338 2.7338 2.7739 2.7739 3.2675 3.2675 4.0509 4.0509 4.8890 4.8890 4.9156 4.9156 11.4462 11.4462 15.3635 15.3635 15.9054 15.9054 16.7580 16.7580 k = 0.1722 0.2983-0.0000 ( 2362 PWs) bands (ev): -66.8041 -66.8041 -66.7973 -66.7973 -33.7639 -33.7639 -33.7405 -33.7405 -33.4792 -33.4792 -33.4767 -33.4767 -33.4595 -33.4595 -33.4417 -33.4417 -10.8310 -10.8310 -9.9822 -9.9822 2.6966 2.6966 2.8259 2.8259 3.2829 3.2829 4.0684 4.0684 4.8955 4.8955 4.9493 4.9493 11.3454 11.3454 15.4219 15.4219 15.9891 15.9891 16.6637 16.6637 k = 0.1667 0.2887-0.0000 ( 2354 PWs) bands (ev): -66.8042 -66.8042 -66.7972 -66.7972 -33.7641 -33.7641 -33.7399 -33.7399 -33.4795 -33.4795 -33.4766 -33.4766 -33.4591 -33.4591 -33.4412 -33.4412 -10.8510 -10.8510 -9.9756 -9.9756 2.6601 2.6601 2.8793 2.8793 3.2998 3.2998 4.0857 4.0857 4.8993 4.8993 4.9846 4.9846 11.2429 11.2429 15.4851 15.4851 16.0734 16.0734 16.5696 16.5696 k = 0.1611 0.2791-0.0000 ( 2354 PWs) bands (ev): -66.8043 -66.8043 -66.7971 -66.7971 -33.7643 -33.7643 -33.7393 -33.7393 -33.4799 -33.4799 -33.4766 -33.4766 -33.4586 -33.4586 -33.4407 -33.4407 -10.8708 -10.8708 -9.9694 -9.9694 2.6244 2.6244 2.9338 2.9338 3.3181 3.3181 4.1027 4.1027 4.9020 4.9020 5.0196 5.0196 11.1390 11.1390 15.5528 15.5528 16.1579 16.1579 16.4759 16.4759 k = 0.1556 0.2694-0.0000 ( 2344 PWs) bands (ev): -66.8044 -66.8044 -66.7970 -66.7970 -33.7645 -33.7645 -33.7388 -33.7388 -33.4802 -33.4802 -33.4765 -33.4765 -33.4582 -33.4582 -33.4402 -33.4402 -10.8904 -10.8904 -9.9636 -9.9636 2.5897 2.5897 2.9894 2.9894 3.3377 3.3377 4.1196 4.1196 4.9039 4.9039 5.0541 5.0541 11.0340 11.0340 15.6247 15.6247 16.2423 16.2423 16.3831 16.3831 k = 0.1500 0.2598-0.0000 ( 2348 PWs) bands (ev): -66.8046 -66.8046 -66.7970 -66.7970 -33.7647 -33.7647 -33.7383 -33.7383 -33.4805 -33.4805 -33.4764 -33.4764 -33.4578 -33.4578 -33.4397 -33.4397 -10.9096 -10.9096 -9.9581 -9.9581 2.5556 2.5556 3.0458 3.0458 3.3585 3.3585 4.1365 4.1365 4.9052 4.9052 5.0879 5.0879 10.9281 10.9281 15.7006 15.7006 16.2909 16.2909 16.3268 16.3268 k = 0.1444 0.2502-0.0000 ( 2348 PWs) bands (ev): -66.8047 -66.8047 -66.7969 -66.7969 -33.7648 -33.7648 -33.7378 -33.7378 -33.4808 -33.4808 -33.4763 -33.4763 -33.4573 -33.4573 -33.4393 -33.4393 -10.9285 -10.9285 -9.9529 -9.9529 2.5224 2.5224 3.1028 3.1028 3.3805 3.3805 4.1536 4.1536 4.9058 4.9058 5.1209 5.1209 10.8215 10.8215 15.7803 15.7803 16.2004 16.2004 16.4098 16.4098 k = 0.1389 0.2406-0.0000 ( 2348 PWs) bands (ev): -66.8048 -66.8048 -66.7968 -66.7968 -33.7650 -33.7650 -33.7373 -33.7373 -33.4811 -33.4811 -33.4762 -33.4762 -33.4569 -33.4569 -33.4388 -33.4388 -10.9470 -10.9470 -9.9481 -9.9481 2.4901 2.4901 3.1602 3.1602 3.4036 3.4036 4.1709 4.1709 4.9057 4.9057 5.1530 5.1530 10.7146 10.7146 15.8637 15.8637 16.1111 16.1111 16.4921 16.4921 k = 0.1333 0.2309-0.0000 ( 2346 PWs) bands (ev): -66.8049 -66.8049 -66.7967 -66.7967 -33.7652 -33.7652 -33.7368 -33.7368 -33.4814 -33.4814 -33.4761 -33.4761 -33.4565 -33.4565 -33.4384 -33.4384 -10.9651 -10.9651 -9.9435 -9.9435 2.4588 2.4588 3.2176 3.2176 3.4277 3.4277 4.1886 4.1886 4.9051 4.9051 5.1843 5.1843 10.6076 10.6076 15.9505 15.9505 16.0233 16.0233 16.5729 16.5729 k = 0.1278 0.2213-0.0000 ( 2346 PWs) bands (ev): -66.8050 -66.8050 -66.7966 -66.7966 -33.7653 -33.7653 -33.7363 -33.7363 -33.4817 -33.4817 -33.4760 -33.4760 -33.4561 -33.4561 -33.4379 -33.4379 -10.9828 -10.9828 -9.9393 -9.9393 2.4285 2.4285 3.2747 3.2747 3.4526 3.4526 4.2069 4.2069 4.9038 4.9038 5.2146 5.2146 10.5007 10.5007 15.9370 15.9370 16.0404 16.0404 16.6518 16.6518 k = 0.1222 0.2117-0.0000 ( 2346 PWs) bands (ev): -66.8051 -66.8051 -66.7966 -66.7966 -33.7655 -33.7655 -33.7358 -33.7358 -33.4820 -33.4820 -33.4759 -33.4759 -33.4556 -33.4556 -33.4375 -33.4375 -11.0000 -11.0000 -9.9354 -9.9354 2.3993 2.3993 3.3312 3.3312 3.4783 3.4783 4.2261 4.2261 4.9020 4.9020 5.2440 5.2440 10.3942 10.3942 15.8527 15.8527 16.1333 16.1333 16.7287 16.7287 k = 0.1167 0.2021-0.0000 ( 2342 PWs) bands (ev): -66.8052 -66.8052 -66.7965 -66.7965 -33.7656 -33.7656 -33.7353 -33.7353 -33.4823 -33.4823 -33.4759 -33.4759 -33.4552 -33.4552 -33.4371 -33.4371 -11.0166 -11.0166 -9.9317 -9.9317 2.3711 2.3711 3.3867 3.3867 3.5046 3.5046 4.2463 4.2463 4.8996 4.8996 5.2723 5.2723 10.2884 10.2884 15.7704 15.7704 16.2289 16.2289 16.8029 16.8029 k = 0.1111 0.1925-0.0000 ( 2338 PWs) bands (ev): -66.8053 -66.8053 -66.7964 -66.7964 -33.7657 -33.7657 -33.7349 -33.7349 -33.4825 -33.4825 -33.4757 -33.4757 -33.4548 -33.4548 -33.4367 -33.4367 -11.0327 -11.0327 -9.9284 -9.9284 2.3441 2.3441 3.4408 3.4408 3.5314 3.5314 4.2678 4.2678 4.8966 4.8966 5.2995 5.2995 10.1835 10.1835 15.6903 15.6903 16.3268 16.3268 16.8744 16.8744 k = 0.1056 0.1828-0.0000 ( 2346 PWs) bands (ev): -66.8054 -66.8054 -66.7964 -66.7964 -33.7658 -33.7658 -33.7345 -33.7345 -33.4828 -33.4828 -33.4757 -33.4757 -33.4545 -33.4545 -33.4363 -33.4363 -11.0483 -11.0483 -9.9253 -9.9253 2.3182 2.3182 3.4928 3.4928 3.5587 3.5587 4.2907 4.2907 4.8931 4.8931 5.3256 5.3256 10.0797 10.0797 15.6125 15.6125 16.4267 16.4267 16.9427 16.9427 k = 0.1000 0.1732-0.0000 ( 2350 PWs) bands (ev): -66.8055 -66.8055 -66.7963 -66.7963 -33.7660 -33.7660 -33.7341 -33.7341 -33.4830 -33.4830 -33.4756 -33.4756 -33.4541 -33.4541 -33.4360 -33.4360 -11.0632 -11.0632 -9.9224 -9.9224 2.2934 2.2934 3.5424 3.5424 3.5863 3.5863 4.3155 4.3155 4.8892 4.8892 5.3505 5.3505 9.9776 9.9776 15.5373 15.5373 16.5285 16.5285 17.0076 17.0076 k = 0.0944 0.1636-0.0000 ( 2344 PWs) bands (ev): -66.8056 -66.8056 -66.7963 -66.7963 -33.7661 -33.7661 -33.7337 -33.7337 -33.4833 -33.4833 -33.4754 -33.4754 -33.4538 -33.4538 -33.4356 -33.4356 -11.0774 -11.0774 -9.9198 -9.9198 2.2698 2.2698 3.5887 3.5887 3.6147 3.6147 4.3422 4.3422 4.8848 4.8848 5.3743 5.3743 9.8772 9.8772 15.4647 15.4647 16.6318 16.6318 17.0688 17.0688 k = 0.0889 0.1540-0.0000 ( 2348 PWs) bands (ev): -66.8057 -66.8057 -66.7962 -66.7962 -33.7662 -33.7662 -33.7333 -33.7333 -33.4835 -33.4835 -33.4754 -33.4754 -33.4535 -33.4535 -33.4353 -33.4353 -11.0911 -11.0911 -9.9174 -9.9174 2.2475 2.2475 3.6298 3.6298 3.6451 3.6451 4.3710 4.3710 4.8800 4.8800 5.3970 5.3970 9.7790 9.7790 15.3950 15.3950 16.7360 16.7360 17.1263 17.1263 k = 0.0833 0.1443-0.0000 ( 2348 PWs) bands (ev): -66.8057 -66.8057 -66.7962 -66.7962 -33.7663 -33.7663 -33.7329 -33.7329 -33.4837 -33.4837 -33.4753 -33.4753 -33.4531 -33.4531 -33.4349 -33.4349 -11.1040 -11.1040 -9.9152 -9.9152 2.2264 2.2264 3.6626 3.6626 3.6799 3.6799 4.4018 4.4018 4.8748 4.8748 5.4184 5.4184 9.6834 9.6834 15.3284 15.3284 16.8409 16.8409 17.1798 17.1798 k = 0.0778 0.1347-0.0000 ( 2344 PWs) bands (ev): -66.8058 -66.8058 -66.7961 -66.7961 -33.7663 -33.7663 -33.7326 -33.7326 -33.4839 -33.4839 -33.4752 -33.4752 -33.4528 -33.4528 -33.4346 -33.4346 -11.1162 -11.1162 -9.9132 -9.9132 2.2065 2.2065 3.6907 3.6907 3.7155 3.7155 4.4347 4.4347 4.8694 4.8694 5.4385 5.4385 9.5907 9.5907 15.2651 15.2651 16.9460 16.9460 17.2293 17.2293 k = 0.0722 0.1251-0.0000 ( 2344 PWs) bands (ev): -66.8059 -66.8059 -66.7961 -66.7961 -33.7664 -33.7664 -33.7323 -33.7323 -33.4841 -33.4841 -33.4751 -33.4751 -33.4525 -33.4525 -33.4343 -33.4343 -11.1277 -11.1277 -9.9114 -9.9114 2.1880 2.1880 3.7171 3.7171 3.7483 3.7483 4.4692 4.4692 4.8637 4.8637 5.4574 5.4574 9.5012 9.5012 15.2051 15.2051 17.0506 17.0506 17.2747 17.2747 k = 0.0667 0.1155-0.0000 ( 2347 PWs) bands (ev): -66.8060 -66.8060 -66.7960 -66.7960 -33.7665 -33.7665 -33.7320 -33.7320 -33.4842 -33.4842 -33.4750 -33.4750 -33.4523 -33.4523 -33.4341 -33.4341 -11.1384 -11.1384 -9.9098 -9.9098 2.1707 2.1707 3.7424 3.7424 3.7778 3.7778 4.5051 4.5051 4.8578 4.8578 5.4748 5.4748 9.4156 9.4156 15.1488 15.1488 17.1541 17.1541 17.3161 17.3161 k = 0.0611 0.1058-0.0000 ( 2347 PWs) bands (ev): -66.8060 -66.8060 -66.7960 -66.7960 -33.7666 -33.7666 -33.7317 -33.7317 -33.4844 -33.4844 -33.4749 -33.4749 -33.4520 -33.4520 -33.4338 -33.4338 -11.1483 -11.1483 -9.9084 -9.9084 2.1548 2.1548 3.7665 3.7665 3.8039 3.8039 4.5418 4.5418 4.8519 4.8519 5.4910 5.4910 9.3341 9.3341 15.0962 15.0962 17.2559 17.2559 17.3536 17.3536 k = 0.0556 0.0962-0.0000 ( 2343 PWs) bands (ev): -66.8061 -66.8061 -66.7960 -66.7960 -33.7666 -33.7666 -33.7314 -33.7314 -33.4845 -33.4845 -33.4748 -33.4748 -33.4518 -33.4518 -33.4336 -33.4336 -11.1574 -11.1574 -9.9071 -9.9071 2.1402 2.1402 3.7893 3.7893 3.8267 3.8267 4.5787 4.5787 4.8460 4.8460 5.5059 5.5059 9.2573 9.2573 15.0476 15.0476 17.3551 17.3551 17.3872 17.3872 k = 0.0500 0.0866-0.0000 ( 2339 PWs) bands (ev): -66.8061 -66.8061 -66.7959 -66.7959 -33.7667 -33.7667 -33.7312 -33.7312 -33.4846 -33.4846 -33.4748 -33.4748 -33.4516 -33.4516 -33.4334 -33.4334 -11.1658 -11.1658 -9.9060 -9.9060 2.1269 2.1269 3.8106 3.8106 3.8465 3.8465 4.6151 4.6151 4.8402 4.8402 5.5195 5.5195 9.1856 9.1856 15.0031 15.0031 17.4170 17.4170 17.4508 17.4508 k = 0.0444 0.0770-0.0000 ( 2341 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7667 -33.7667 -33.7310 -33.7310 -33.4848 -33.4848 -33.4747 -33.4747 -33.4514 -33.4514 -33.4332 -33.4332 -11.1732 -11.1732 -9.9050 -9.9050 2.1150 2.1150 3.8301 3.8301 3.8636 3.8636 4.6502 4.6502 4.8346 4.8346 5.5316 5.5316 9.1197 9.1197 14.9628 14.9628 17.4432 17.4432 17.5418 17.5418 k = 0.0389 0.0674-0.0000 ( 2343 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7668 -33.7668 -33.7308 -33.7308 -33.4849 -33.4849 -33.4747 -33.4747 -33.4512 -33.4512 -33.4330 -33.4330 -11.1799 -11.1799 -9.9042 -9.9042 2.1045 2.1045 3.8477 3.8477 3.8781 3.8781 4.6833 4.6833 4.8293 4.8293 5.5423 5.5423 9.0599 9.0599 14.9269 14.9269 17.4659 17.4659 17.6270 17.6270 k = 0.0333 0.0577-0.0000 ( 2343 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7669 -33.7669 -33.7306 -33.7306 -33.4850 -33.4850 -33.4747 -33.4747 -33.4510 -33.4510 -33.4328 -33.4328 -11.1857 -11.1857 -9.9034 -9.9034 2.0954 2.0954 3.8631 3.8631 3.8906 3.8906 4.7136 4.7136 4.8247 4.8247 5.5517 5.5517 9.0067 9.0067 14.8956 14.8956 17.4852 17.4852 17.7051 17.7051 k = 0.0278 0.0481-0.0000 ( 2345 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7669 -33.7669 -33.7304 -33.7304 -33.4851 -33.4851 -33.4747 -33.4747 -33.4509 -33.4509 -33.4327 -33.4327 -11.1906 -11.1906 -9.9028 -9.9028 2.0876 2.0876 3.8761 3.8761 3.9011 3.9011 4.7403 4.7403 4.8207 4.8207 5.5596 5.5596 8.9608 8.9608 14.8688 14.8688 17.5013 17.5013 17.7746 17.7746 k = 0.0222 0.0385-0.0000 ( 2343 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7669 -33.7669 -33.7303 -33.7303 -33.4851 -33.4851 -33.4746 -33.4746 -33.4508 -33.4508 -33.4326 -33.4326 -11.1946 -11.1946 -9.9024 -9.9024 2.0813 2.0813 3.8865 3.8865 3.9098 3.9098 4.7627 4.7627 4.8177 4.8177 5.5661 5.5661 8.9225 8.9225 14.8468 14.8468 17.5143 17.5143 17.8340 17.8340 k = 0.0167 0.0289-0.0000 ( 2341 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4325 -33.4325 -11.1977 -11.1977 -9.9020 -9.9020 2.0763 2.0763 3.8945 3.8945 3.9169 3.9169 4.7799 4.7799 4.8160 4.8160 5.5712 5.5712 8.8923 8.8923 14.8296 14.8296 17.5243 17.5243 17.8819 17.8819 k = 0.0111 0.0192-0.0000 ( 2341 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2000 -11.2000 -9.9017 -9.9017 2.0728 2.0728 3.9000 3.9000 3.9221 3.9221 4.7910 4.7910 4.8163 4.8163 5.5748 5.5748 8.8704 8.8704 14.8173 14.8173 17.5314 17.5314 17.9165 17.9165 k = 0.0056 0.0096-0.0000 ( 2345 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2013 -11.2013 -9.9016 -9.9016 2.0707 2.0707 3.9033 3.9033 3.9253 3.9253 4.7959 4.7959 4.8181 4.8181 5.5770 5.5770 8.8572 8.8572 14.8098 14.8098 17.5357 17.5357 17.9347 17.9347 k = 0.0000 0.0000 0.0000 ( 2341 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2018 -11.2018 -9.9015 -9.9015 2.0700 2.0700 3.9044 3.9044 3.9264 3.9264 4.7972 4.7972 4.8192 4.8192 5.5777 5.5777 8.8527 8.8527 14.8074 14.8074 17.5372 17.5372 17.9385 17.9385 k = 0.0000 0.0000 0.0000 ( 2341 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2018 -11.2018 -9.9015 -9.9015 2.0700 2.0700 3.9044 3.9044 3.9264 3.9264 4.7972 4.7972 4.8192 4.8192 5.5777 5.5777 8.8527 8.8527 14.8074 14.8074 17.5372 17.5372 17.9385 17.9385 k = 0.0000 0.0000 0.0109 ( 2353 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7670 -33.7670 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4324 -33.4324 -11.2012 -11.2012 -9.9021 -9.9021 2.0707 2.0707 3.9047 3.9047 3.9267 3.9267 4.7967 4.7967 4.8187 4.8187 5.5740 5.5740 8.8567 8.8567 14.8040 14.8040 17.5404 17.5404 17.9377 17.9377 k = 0.0000 0.0000 0.0219 ( 2353 PWs) bands (ev): -66.8063 -66.8063 -66.7958 -66.7958 -33.7669 -33.7669 -33.7302 -33.7302 -33.4852 -33.4852 -33.4746 -33.4746 -33.4507 -33.4507 -33.4325 -33.4325 -11.1995 -11.1995 -9.9037 -9.9037 2.0728 2.0728 3.9057 3.9057 3.9278 3.9278 4.7955 4.7955 4.8175 4.8175 5.5629 5.5629 8.8686 8.8686 14.7939 14.7939 17.5505 17.5505 17.9353 17.9353 k = 0.0000 0.0000 0.0328 ( 2353 PWs) bands (ev): -66.8063 -66.8063 -66.7959 -66.7959 -33.7669 -33.7669 -33.7303 -33.7303 -33.4851 -33.4851 -33.4745 -33.4745 -33.4508 -33.4508 -33.4327 -33.4327 -11.1967 -11.1967 -9.9063 -9.9063 2.0764 2.0764 3.9075 3.9075 3.9295 3.9295 4.7935 4.7935 4.8155 4.8155 5.5447 5.5447 8.8882 8.8882 14.7773 14.7773 17.5672 17.5672 17.9314 17.9315 k = 0.0000 0.0000 0.0438 ( 2353 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7668 -33.7668 -33.7304 -33.7304 -33.4850 -33.4850 -33.4744 -33.4744 -33.4509 -33.4509 -33.4328 -33.4328 -11.1928 -11.1928 -9.9100 -9.9100 2.0814 2.0814 3.9100 3.9100 3.9320 3.9320 4.7906 4.7906 4.8126 4.8126 5.5195 5.5195 8.9153 8.9153 14.7542 14.7542 17.5905 17.5905 17.9262 17.9262 k = 0.0000 0.0000 0.0547 ( 2359 PWs) bands (ev): -66.8062 -66.8062 -66.7959 -66.7959 -33.7666 -33.7666 -33.7306 -33.7306 -33.4848 -33.4848 -33.4743 -33.4743 -33.4510 -33.4510 -33.4331 -33.4331 -11.1877 -11.1877 -9.9148 -9.9148 2.0878 2.0878 3.9131 3.9131 3.9351 3.9351 4.7868 4.7868 4.8089 4.8089 5.4877 5.4877 8.9495 8.9495 14.7248 14.7248 17.6203 17.6203 17.9195 17.9195 k = 0.0000 0.0000 0.0656 ( 2347 PWs) bands (ev): -66.8062 -66.8062 -66.7960 -66.7960 -33.7664 -33.7664 -33.7307 -33.7307 -33.4845 -33.4845 -33.4742 -33.4742 -33.4511 -33.4511 -33.4333 -33.4333 -11.1816 -11.1816 -9.9206 -9.9206 2.0958 2.0958 3.9170 3.9170 3.9390 3.9390 4.7824 4.7824 4.8044 4.8044 5.4501 5.4501 8.9904 8.9904 14.6894 14.6894 17.6563 17.6563 17.9120 17.9120 k = 0.0000 0.0000 0.0766 ( 2347 PWs) bands (ev): -66.8061 -66.8061 -66.7960 -66.7960 -33.7662 -33.7662 -33.7310 -33.7310 -33.4843 -33.4843 -33.4741 -33.4741 -33.4512 -33.4512 -33.4336 -33.4336 -11.1743 -11.1743 -9.9274 -9.9274 2.1051 2.1051 3.9215 3.9215 3.9435 3.9435 4.7771 4.7771 4.7992 4.7992 5.4066 5.4066 9.0376 9.0376 14.6482 14.6482 17.6984 17.6984 17.9037 17.9037 k = 0.0000 0.0000 0.0875 ( 2347 PWs) bands (ev): -66.8060 -66.8060 -66.7961 -66.7961 -33.7660 -33.7660 -33.7312 -33.7312 -33.4840 -33.4840 -33.4739 -33.4739 -33.4514 -33.4514 -33.4340 -33.4340 -11.1660 -11.1660 -9.9353 -9.9353 2.1160 2.1160 3.9268 3.9268 3.9487 3.9487 4.7710 4.7710 4.7931 4.7931 5.3579 5.3579 9.0906 9.0906 14.6015 14.6015 17.7464 17.7464 17.8948 17.8949 k = 0.0000 0.0000 0.0985 ( 2335 PWs) bands (ev): -66.8059 -66.8059 -66.7962 -66.7962 -33.7657 -33.7657 -33.7314 -33.7314 -33.4836 -33.4836 -33.4737 -33.4737 -33.4515 -33.4515 -33.4344 -33.4344 -11.1566 -11.1566 -9.9442 -9.9442 2.1283 2.1283 3.9327 3.9327 3.9546 3.9546 4.7644 4.7644 4.7865 4.7865 5.3045 5.3045 9.1490 9.1490 14.5496 14.5496 17.8001 17.8001 17.8861 17.8861 k = 0.0000 0.0000 0.1094 ( 2329 PWs) bands (ev): -66.8059 -66.8059 -66.7962 -66.7962 -33.7654 -33.7654 -33.7317 -33.7317 -33.4832 -33.4832 -33.4735 -33.4735 -33.4516 -33.4516 -33.4349 -33.4349 -11.1461 -11.1461 -9.9541 -9.9541 2.1422 2.1422 3.9392 3.9392 3.9612 3.9612 4.7568 4.7568 4.7789 4.7789 5.2470 5.2470 9.2121 9.2121 14.4927 14.4927 17.8595 17.8595 17.8768 17.8768 k = 0.0000 0.0000 0.1203 ( 2329 PWs) bands (ev): -66.8058 -66.8058 -66.7963 -66.7963 -33.7651 -33.7651 -33.7320 -33.7320 -33.4828 -33.4828 -33.4733 -33.4733 -33.4518 -33.4518 -33.4354 -33.4354 -11.1346 -11.1346 -9.9650 -9.9650 2.1576 2.1576 3.9465 3.9465 3.9684 3.9684 4.7485 4.7485 4.7706 4.7706 5.1858 5.1858 9.2797 9.2797 14.4312 14.4312 17.8677 17.8677 17.8842 17.8842 k = 0.0000 0.0000 0.1313 ( 2335 PWs) bands (ev): -66.8057 -66.8057 -66.7964 -66.7964 -33.7648 -33.7648 -33.7324 -33.7324 -33.4824 -33.4824 -33.4731 -33.4731 -33.4521 -33.4521 -33.4359 -33.4359 -11.1221 -11.1221 -9.9769 -9.9769 2.1742 2.1742 3.9543 3.9543 3.9763 3.9763 4.7394 4.7394 4.7616 4.7616 5.1215 5.1215 9.3514 9.3514 14.3653 14.3653 17.8591 17.8591 17.8754 17.8754 k = 0.0000 0.0000 0.1422 ( 2335 PWs) bands (ev): -66.8056 -66.8056 -66.7965 -66.7965 -33.7645 -33.7645 -33.7328 -33.7328 -33.4820 -33.4820 -33.4728 -33.4728 -33.4523 -33.4523 -33.4365 -33.4365 -11.1086 -11.1086 -9.9897 -9.9897 2.1928 2.1928 3.9629 3.9629 3.9848 3.9848 4.7296 4.7296 4.7519 4.7519 5.0543 5.0543 9.4266 9.4266 14.2954 14.2954 17.8511 17.8511 17.8674 17.8674 k = 0.0000 0.0000 0.1532 ( 2335 PWs) bands (ev): -66.8054 -66.8054 -66.7967 -66.7967 -33.7641 -33.7641 -33.7332 -33.7332 -33.4814 -33.4814 -33.4726 -33.4726 -33.4526 -33.4526 -33.4372 -33.4372 -11.0941 -11.0941 -10.0035 -10.0035 2.2129 2.2129 3.9720 3.9720 3.9939 3.9939 4.7190 4.7190 4.7415 4.7415 4.9848 4.9848 9.5051 9.5051 14.2218 14.2218 17.8441 17.8441 17.8603 17.8603 k = 0.0000 0.0000 0.1641 ( 2335 PWs) bands (ev): -66.8053 -66.8053 -66.7968 -66.7968 -33.7636 -33.7636 -33.7336 -33.7336 -33.4809 -33.4809 -33.4723 -33.4723 -33.4528 -33.4528 -33.4379 -33.4379 -11.0787 -11.0787 -10.0182 -10.0182 2.2347 2.2347 3.9818 3.9818 4.0037 4.0037 4.7078 4.7078 4.7304 4.7304 4.9134 4.9134 9.5866 9.5866 14.1446 14.1446 17.8382 17.8382 17.8544 17.8544 k = 0.0000 0.0000 0.1750 ( 2335 PWs) bands (ev): -66.8052 -66.8052 -66.7969 -66.7969 -33.7632 -33.7632 -33.7341 -33.7341 -33.4803 -33.4803 -33.4720 -33.4720 -33.4531 -33.4531 -33.4386 -33.4386 -11.0624 -11.0624 -10.0338 -10.0338 2.2581 2.2581 3.9921 3.9921 4.0140 4.0140 4.6956 4.6956 4.7187 4.7187 4.8404 4.8404 9.6707 9.6707 14.0642 14.0642 17.8336 17.8336 17.8497 17.8498 k = 0.0000 0.0000 0.1860 ( 2342 PWs) bands (ev): -66.8051 -66.8051 -66.7970 -66.7970 -33.7627 -33.7627 -33.7346 -33.7346 -33.4797 -33.4797 -33.4717 -33.4717 -33.4535 -33.4535 -33.4394 -33.4394 -11.0452 -11.0452 -10.0502 -10.0502 2.2832 2.2832 4.0031 4.0031 4.0249 4.0249 4.6822 4.6822 4.7064 4.7064 4.7667 4.7667 9.7572 9.7572 13.9808 13.9808 17.8304 17.8304 17.8465 17.8465 k = 0.0000 0.0000 0.1969 ( 2342 PWs) bands (ev): -66.8049 -66.8049 -66.7972 -66.7972 -33.7622 -33.7622 -33.7351 -33.7351 -33.4790 -33.4790 -33.4714 -33.4714 -33.4538 -33.4538 -33.4402 -33.4402 -11.0271 -11.0271 -10.0676 -10.0676 2.3100 2.3100 4.0146 4.0146 4.0364 4.0364 4.6636 4.6636 4.6935 4.6935 4.6965 4.6965 9.8459 9.8459 13.8947 13.8947 17.8290 17.8290 17.8451 17.8451 k = 0.0000 0.0000 0.2079 ( 2342 PWs) bands (ev): -66.8048 -66.8048 -66.7973 -66.7973 -33.7617 -33.7617 -33.7357 -33.7357 -33.4784 -33.4784 -33.4710 -33.4710 -33.4542 -33.4542 -33.4410 -33.4410 -11.0082 -11.0082 -10.0857 -10.0857 2.3385 2.3385 4.0267 4.0267 4.0485 4.0485 4.6076 4.6076 4.6623 4.6623 4.6800 4.6800 9.9366 9.9366 13.8060 13.8060 17.8294 17.8294 17.8455 17.8455 k = 0.0000 0.0000 0.2188 ( 2342 PWs) bands (ev): -66.8046 -66.8046 -66.7975 -66.7975 -33.7612 -33.7612 -33.7362 -33.7362 -33.4776 -33.4776 -33.4707 -33.4707 -33.4545 -33.4545 -33.4419 -33.4419 -10.9885 -10.9885 -10.1047 -10.1047 2.3688 2.3688 4.0393 4.0393 4.0611 4.0611 4.5325 4.5325 4.6461 4.6461 4.6660 4.6660 10.0291 10.0291 13.7150 13.7150 17.8319 17.8319 17.8479 17.8479 k = 0.0000 0.0000 0.2298 ( 2342 PWs) bands (ev): -66.8045 -66.8045 -66.7976 -66.7976 -33.7606 -33.7606 -33.7368 -33.7368 -33.4769 -33.4769 -33.4703 -33.4703 -33.4549 -33.4549 -33.4428 -33.4428 -10.9680 -10.9680 -10.1244 -10.1244 2.4008 2.4008 4.0524 4.0524 4.0742 4.0742 4.4554 4.4554 4.6309 4.6309 4.6514 4.6514 10.1231 10.1231 13.6219 13.6219 17.8364 17.8364 17.8525 17.8525 k = 0.0000 0.0000 0.2407 ( 2342 PWs) bands (ev): -66.8043 -66.8043 -66.7978 -66.7978 -33.7601 -33.7601 -33.7374 -33.7374 -33.4761 -33.4761 -33.4699 -33.4699 -33.4553 -33.4553 -33.4437 -33.4437 -10.9468 -10.9468 -10.1449 -10.1449 2.4346 2.4346 4.0661 4.0661 4.0879 4.0879 4.3778 4.3778 4.6156 4.6156 4.6364 4.6364 10.2187 10.2187 13.5268 13.5268 17.8431 17.8431 17.8592 17.8592 k = 0.0000 0.0000 0.2516 ( 2342 PWs) bands (ev): -66.8041 -66.8041 -66.7980 -66.7980 -33.7595 -33.7595 -33.7380 -33.7380 -33.4753 -33.4753 -33.4695 -33.4695 -33.4557 -33.4557 -33.4446 -33.4446 -10.9249 -10.9249 -10.1661 -10.1661 2.4702 2.4702 4.0802 4.0802 4.1020 4.1020 4.3001 4.3001 4.5999 4.5999 4.6209 4.6209 10.3155 10.3155 13.4301 13.4301 17.8522 17.8522 17.8683 17.8683 k = 0.0000 0.0000 0.2626 ( 2360 PWs) bands (ev): -66.8039 -66.8039 -66.7982 -66.7982 -33.7589 -33.7589 -33.7387 -33.7387 -33.4746 -33.4746 -33.4691 -33.4691 -33.4561 -33.4561 -33.4456 -33.4456 -10.9024 -10.9024 -10.1879 -10.1879 2.5076 2.5076 4.0947 4.0947 4.1165 4.1165 4.2224 4.2224 4.5839 4.5839 4.6050 4.6050 10.4136 10.4136 13.3317 13.3317 17.8636 17.8636 17.8797 17.8797 k = 0.0000 0.0000 0.2735 ( 2360 PWs) bands (ev): -66.8038 -66.8038 -66.7984 -66.7984 -33.7583 -33.7583 -33.7393 -33.7393 -33.4737 -33.4737 -33.4687 -33.4687 -33.4565 -33.4565 -33.4466 -33.4466 -10.8793 -10.8793 -10.2104 -10.2104 2.5468 2.5468 4.1097 4.1097 4.1315 4.1315 4.1450 4.1450 4.5675 4.5675 4.5887 4.5887 10.5128 10.5128 13.2319 13.2319 17.8776 17.8776 17.8937 17.8937 k = 0.0000 0.0000 0.2845 ( 2360 PWs) bands (ev): -66.8036 -66.8036 -66.7986 -66.7986 -33.7576 -33.7576 -33.7400 -33.7400 -33.4729 -33.4729 -33.4683 -33.4683 -33.4569 -33.4569 -33.4477 -33.4477 -10.8555 -10.8555 -10.2335 -10.2335 2.5878 2.5878 4.0681 4.0681 4.1252 4.1252 4.1469 4.1469 4.5508 4.5508 4.5720 4.5720 10.6130 10.6130 13.1309 13.1309 17.8941 17.8941 17.9102 17.9102 k = 0.0000 0.0000 0.2954 ( 2360 PWs) bands (ev): -66.8034 -66.8034 -66.7987 -66.7987 -33.7570 -33.7570 -33.7407 -33.7407 -33.4720 -33.4720 -33.4678 -33.4678 -33.4574 -33.4574 -33.4487 -33.4487 -10.8313 -10.8313 -10.2572 -10.2572 2.6306 2.6306 3.9917 3.9917 4.1410 4.1410 4.1628 4.1628 4.5338 4.5338 4.5550 4.5550 10.7141 10.7141 13.0288 13.0288 17.9132 17.9132 17.9293 17.9293 k = 0.0000 0.0000 0.3063 ( 2360 PWs) bands (ev): -66.8032 -66.8032 -66.7989 -66.7989 -33.7563 -33.7563 -33.7414 -33.7414 -33.4710 -33.4710 -33.4674 -33.4674 -33.4578 -33.4578 -33.4497 -33.4497 -10.8066 -10.8066 -10.2814 -10.2814 2.6752 2.6752 3.9160 3.9160 4.1573 4.1573 4.1790 4.1790 4.5164 4.5164 4.5377 4.5377 10.8161 10.8161 12.9257 12.9257 17.9349 17.9349 17.9511 17.9511 k = 0.0000 0.0000 0.3173 ( 2360 PWs) bands (ev): -66.8030 -66.8030 -66.7991 -66.7991 -33.7556 -33.7556 -33.7421 -33.7421 -33.4701 -33.4701 -33.4669 -33.4669 -33.4583 -33.4583 -33.4508 -33.4508 -10.7814 -10.7814 -10.3060 -10.3060 2.7217 2.7217 3.8412 3.8412 4.1738 4.1738 4.1955 4.1955 4.4988 4.4988 4.5202 4.5202 10.9188 10.9188 12.8218 12.8218 17.9593 17.9593 17.9755 17.9755 k = 0.0000 0.0000 0.3282 ( 2360 PWs) bands (ev): -66.8028 -66.8028 -66.7993 -66.7993 -33.7549 -33.7549 -33.7428 -33.7428 -33.4691 -33.4691 -33.4665 -33.4665 -33.4587 -33.4587 -33.4518 -33.4518 -10.7558 -10.7558 -10.3311 -10.3311 2.7699 2.7699 3.7672 3.7672 4.1907 4.1907 4.2124 4.2124 4.4810 4.4810 4.5024 4.5024 11.0223 11.0223 12.7172 12.7172 17.9865 17.9865 18.0028 18.0028 k = 0.0000 0.0000 0.3392 ( 2348 PWs) bands (ev): -66.8025 -66.8025 -66.7995 -66.7995 -33.7542 -33.7542 -33.7436 -33.7436 -33.4681 -33.4681 -33.4660 -33.4660 -33.4592 -33.4592 -33.4529 -33.4529 -10.7299 -10.7299 -10.3566 -10.3566 2.8200 2.8200 3.6944 3.6944 4.2079 4.2079 4.2296 4.2296 4.4630 4.4630 4.4844 4.4844 11.1264 11.1264 12.6120 12.6120 18.0164 18.0164 18.0327 18.0327 k = 0.0000 0.0000 0.3501 ( 2360 PWs) bands (ev): -66.8023 -66.8023 -66.7998 -66.7998 -33.7535 -33.7535 -33.7443 -33.7443 -33.4671 -33.4671 -33.4656 -33.4656 -33.4597 -33.4597 -33.4540 -33.4540 -10.7037 -10.7037 -10.3825 -10.3825 2.8719 2.8719 3.6226 3.6226 4.2252 4.2252 4.2468 4.2468 4.4448 4.4448 4.4662 4.4662 11.2310 11.2310 12.5063 12.5063 18.0489 18.0489 18.0653 18.0653 k = 0.0000 0.0000 0.3610 ( 2348 PWs) bands (ev): -66.8021 -66.8021 -66.8000 -66.8000 -33.7527 -33.7527 -33.7451 -33.7451 -33.4660 -33.4660 -33.4651 -33.4651 -33.4602 -33.4602 -33.4551 -33.4551 -10.6772 -10.6772 -10.4087 -10.4087 2.9257 2.9257 3.5519 3.5519 4.2429 4.2429 4.2645 4.2645 4.4265 4.4265 4.4479 4.4479 11.3361 11.3361 12.4002 12.4002 18.0843 18.0843 18.1008 18.1008 k = 0.0000 0.0000 0.3720 ( 2348 PWs) bands (ev): -66.8019 -66.8019 -66.8002 -66.8002 -33.7519 -33.7519 -33.7458 -33.7458 -33.4649 -33.4649 -33.4646 -33.4646 -33.4607 -33.4607 -33.4562 -33.4562 -10.6505 -10.6505 -10.4351 -10.4351 2.9810 2.9810 3.4826 3.4826 4.2608 4.2608 4.2824 4.2824 4.4080 4.4080 4.4295 4.4295 11.4417 11.4417 12.2938 12.2938 18.1225 18.1225 18.1391 18.1391 k = 0.0000 0.0000 0.3829 ( 2348 PWs) bands (ev): -66.8017 -66.8017 -66.8004 -66.8004 -33.7512 -33.7512 -33.7466 -33.7466 -33.4641 -33.4641 -33.4639 -33.4639 -33.4612 -33.4612 -33.4573 -33.4573 -10.6237 -10.6237 -10.4617 -10.4617 3.0381 3.0381 3.4146 3.4146 4.2789 4.2789 4.3004 4.3004 4.3895 4.3895 4.4110 4.4110 11.5476 11.5476 12.1872 12.1872 18.1635 18.1635 18.1801 18.1801 k = 0.0000 0.0000 0.3939 ( 2348 PWs) bands (ev): -66.8015 -66.8015 -66.8006 -66.8006 -33.7504 -33.7504 -33.7474 -33.7474 -33.4636 -33.4636 -33.4628 -33.4628 -33.4616 -33.4616 -33.4584 -33.4584 -10.5967 -10.5967 -10.4886 -10.4886 3.0969 3.0969 3.3480 3.3480 4.2972 4.2972 4.3187 4.3187 4.3710 4.3710 4.3925 4.3925 11.6538 11.6538 12.0804 12.0804 18.2073 18.2073 18.2240 18.2240 k = 0.0000 0.0000 0.4048 ( 2348 PWs) bands (ev): -66.8013 -66.8013 -66.8008 -66.8008 -33.7497 -33.7497 -33.7481 -33.7481 -33.4631 -33.4631 -33.4621 -33.4621 -33.4617 -33.4617 -33.4595 -33.4595 -10.5697 -10.5697 -10.5156 -10.5156 3.1572 3.1572 3.2829 3.2829 4.3155 4.3155 4.3371 4.3371 4.3525 4.3525 4.3740 4.3740 11.7603 11.7603 11.9737 11.9737 18.2538 18.2538 18.2706 18.2706 k = 0.0000 0.0000 0.4157 ( 2348 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4626 -33.4626 -33.4626 -33.4626 -33.4606 -33.4606 -33.4606 -33.4606 -10.5426 -10.5426 -10.5426 -10.5426 3.2193 3.2193 3.2193 3.2193 4.3340 4.3340 4.3340 4.3340 4.3555 4.3555 4.3555 4.3555 11.8669 11.8669 11.8669 11.8669 18.3031 18.3031 18.3031 18.3031 k = 0.0000 0.0000 0.4157 ( 2348 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4626 -33.4626 -33.4626 -33.4626 -33.4606 -33.4606 -33.4606 -33.4606 -10.5426 -10.5426 -10.5426 -10.5426 3.2193 3.2193 3.2193 3.2193 4.3340 4.3340 4.3340 4.3340 4.3555 4.3555 4.3555 4.3555 11.8669 11.8669 11.8669 11.8669 18.3031 18.3031 18.3031 18.3031 k = 0.0096 0.0056 0.4157 ( 2348 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4628 -33.4628 -33.4628 -33.4628 -33.4605 -33.4605 -33.4605 -33.4605 -10.5424 -10.5424 -10.5424 -10.5424 3.2171 3.2171 3.2171 3.2171 4.3344 4.3344 4.3344 4.3344 4.3560 4.3560 4.3560 4.3560 11.8680 11.8680 11.8680 11.8680 18.3024 18.3024 18.3024 18.3024 k = 0.0192 0.0111 0.4157 ( 2340 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4631 -33.4631 -33.4631 -33.4631 -33.4601 -33.4601 -33.4601 -33.4601 -10.5416 -10.5416 -10.5416 -10.5416 3.2109 3.2109 3.2109 3.2109 4.3356 4.3356 4.3356 4.3356 4.3578 4.3578 4.3578 4.3578 11.8712 11.8712 11.8712 11.8712 18.2987 18.2987 18.2987 18.2987 k = 0.0288 0.0167 0.4157 ( 2340 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4635 -33.4635 -33.4635 -33.4635 -33.4597 -33.4597 -33.4597 -33.4597 -10.5404 -10.5404 -10.5404 -10.5404 3.2005 3.2005 3.2005 3.2005 4.3366 4.3366 4.3366 4.3366 4.3617 4.3617 4.3617 4.3617 11.8765 11.8765 11.8765 11.8765 18.2895 18.2895 18.2895 18.2895 k = 0.0385 0.0222 0.4157 ( 2336 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7490 -33.7490 -33.7490 -33.7490 -33.4640 -33.4640 -33.4640 -33.4640 -33.4593 -33.4593 -33.4593 -33.4593 -10.5386 -10.5386 -10.5386 -10.5386 3.1862 3.1862 3.1862 3.1862 4.3368 4.3368 4.3368 4.3368 4.3680 4.3680 4.3680 4.3680 11.8839 11.8839 11.8839 11.8839 18.2751 18.2751 18.2751 18.2751 k = 0.0481 0.0278 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7490 -33.7490 -33.7490 -33.7490 -33.4645 -33.4645 -33.4645 -33.4645 -33.4588 -33.4588 -33.4588 -33.4588 -10.5364 -10.5364 -10.5364 -10.5364 3.1683 3.1683 3.1683 3.1683 4.3360 4.3360 4.3360 4.3360 4.3769 4.3769 4.3769 4.3769 11.8933 11.8933 11.8933 11.8933 18.2563 18.2563 18.2563 18.2563 k = 0.0577 0.0333 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7491 -33.7491 -33.7491 -33.7491 -33.4651 -33.4651 -33.4651 -33.4651 -33.4583 -33.4583 -33.4583 -33.4583 -10.5338 -10.5338 -10.5338 -10.5338 3.1470 3.1470 3.1470 3.1470 4.3343 4.3343 4.3343 4.3343 4.3879 4.3879 4.3879 4.3879 11.9048 11.9048 11.9048 11.9048 18.2334 18.2334 18.2334 18.2334 k = 0.0673 0.0389 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7492 -33.7492 -33.7492 -33.7492 -33.4656 -33.4656 -33.4656 -33.4656 -33.4579 -33.4579 -33.4579 -33.4579 -10.5306 -10.5306 -10.5306 -10.5306 3.1225 3.1225 3.1225 3.1225 4.3319 4.3319 4.3319 4.3319 4.4006 4.4006 4.4006 4.4006 11.9181 11.9181 11.9181 11.9181 18.2071 18.2071 18.2071 18.2071 k = 0.0769 0.0444 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7493 -33.7493 -33.7493 -33.7493 -33.4662 -33.4662 -33.4662 -33.4662 -33.4574 -33.4574 -33.4574 -33.4574 -10.5270 -10.5270 -10.5270 -10.5270 3.0953 3.0953 3.0953 3.0953 4.3289 4.3289 4.3289 4.3289 4.4147 4.4147 4.4147 4.4147 11.9333 11.9333 11.9333 11.9333 18.1776 18.1776 18.1776 18.1776 k = 0.0865 0.0500 0.4157 ( 2328 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7493 -33.7493 -33.7493 -33.7493 -33.4668 -33.4668 -33.4668 -33.4668 -33.4570 -33.4570 -33.4570 -33.4570 -10.5230 -10.5230 -10.5230 -10.5230 3.0656 3.0656 3.0656 3.0656 4.3254 4.3254 4.3254 4.3254 4.4299 4.4299 4.4299 4.4299 11.9502 11.9502 11.9502 11.9502 18.1455 18.1455 18.1455 18.1455 k = 0.0962 0.0555 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7495 -33.7495 -33.7495 -33.7495 -33.4673 -33.4673 -33.4673 -33.4673 -33.4565 -33.4565 -33.4565 -33.4565 -10.5185 -10.5185 -10.5185 -10.5185 3.0336 3.0336 3.0336 3.0336 4.3214 4.3214 4.3214 4.3214 4.4459 4.4459 4.4459 4.4459 11.9688 11.9688 11.9688 11.9688 18.1109 18.1109 18.1109 18.1109 k = 0.1058 0.0611 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7496 -33.7496 -33.7496 -33.7496 -33.4679 -33.4679 -33.4679 -33.4679 -33.4561 -33.4561 -33.4561 -33.4561 -10.5136 -10.5136 -10.5136 -10.5136 2.9998 2.9998 2.9998 2.9998 4.3170 4.3170 4.3170 4.3170 4.4624 4.4624 4.4624 4.4624 11.9890 11.9890 11.9890 11.9890 18.0743 18.0743 18.0743 18.0743 k = 0.1154 0.0666 0.4157 ( 2332 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7497 -33.7497 -33.7497 -33.7497 -33.4685 -33.4685 -33.4685 -33.4685 -33.4557 -33.4557 -33.4557 -33.4557 -10.5084 -10.5084 -10.5084 -10.5084 2.9642 2.9642 2.9642 2.9642 4.3122 4.3122 4.3122 4.3122 4.4793 4.4793 4.4793 4.4793 12.0106 12.0106 12.0106 12.0106 18.0362 18.0362 18.0362 18.0362 k = 0.1250 0.0722 0.4157 ( 2336 PWs) bands (ev): -66.8010 -66.8010 -66.8009 -66.8009 -33.7499 -33.7499 -33.7499 -33.7499 -33.4691 -33.4691 -33.4691 -33.4691 -33.4553 -33.4553 -33.4553 -33.4553 -10.5027 -10.5027 -10.5027 -10.5027 2.9273 2.9273 2.9273 2.9273 4.3071 4.3071 4.3071 4.3071 4.4963 4.4963 4.4963 4.4963 12.0335 12.0335 12.0335 12.0335 17.9969 17.9969 17.9969 17.9969 k = 0.1346 0.0777 0.4157 ( 2336 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7501 -33.7501 -33.7501 -33.7501 -33.4697 -33.4697 -33.4697 -33.4697 -33.4549 -33.4549 -33.4549 -33.4549 -10.4967 -10.4967 -10.4967 -10.4967 2.8891 2.8891 2.8891 2.8891 4.3016 4.3016 4.3016 4.3016 4.5134 4.5134 4.5134 4.5134 12.0577 12.0577 12.0577 12.0577 17.9566 17.9566 17.9567 17.9567 k = 0.1442 0.0833 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7502 -33.7502 -33.7502 -33.7502 -33.4703 -33.4703 -33.4703 -33.4703 -33.4545 -33.4545 -33.4545 -33.4545 -10.4903 -10.4903 -10.4903 -10.4903 2.8500 2.8500 2.8500 2.8500 4.2958 4.2958 4.2958 4.2958 4.5303 4.5303 4.5303 4.5303 12.0829 12.0829 12.0829 12.0829 17.9159 17.9159 17.9159 17.9159 k = 0.1538 0.0888 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7504 -33.7504 -33.7504 -33.7504 -33.4709 -33.4709 -33.4709 -33.4709 -33.4541 -33.4541 -33.4541 -33.4541 -10.4837 -10.4837 -10.4837 -10.4837 2.8101 2.8101 2.8101 2.8101 4.2897 4.2897 4.2897 4.2897 4.5470 4.5470 4.5470 4.5470 12.1090 12.1090 12.1090 12.1090 17.8749 17.8749 17.8749 17.8749 k = 0.1635 0.0944 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7506 -33.7506 -33.7506 -33.7506 -33.4715 -33.4715 -33.4715 -33.4715 -33.4537 -33.4537 -33.4537 -33.4537 -10.4767 -10.4767 -10.4767 -10.4767 2.7697 2.7697 2.7697 2.7697 4.2834 4.2834 4.2834 4.2834 4.5634 4.5634 4.5634 4.5634 12.1360 12.1360 12.1360 12.1360 17.8341 17.8341 17.8341 17.8341 k = 0.1731 0.0999 0.4157 ( 2346 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7508 -33.7508 -33.7508 -33.7508 -33.4721 -33.4721 -33.4721 -33.4721 -33.4534 -33.4534 -33.4534 -33.4534 -10.4694 -10.4694 -10.4694 -10.4694 2.7287 2.7287 2.7287 2.7287 4.2769 4.2769 4.2769 4.2769 4.5793 4.5793 4.5793 4.5793 12.1637 12.1637 12.1637 12.1637 17.7935 17.7935 17.7935 17.7935 k = 0.1827 0.1055 0.4157 ( 2346 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7510 -33.7510 -33.7510 -33.7510 -33.4727 -33.4727 -33.4727 -33.4727 -33.4531 -33.4531 -33.4531 -33.4531 -10.4620 -10.4620 -10.4620 -10.4620 2.6875 2.6875 2.6875 2.6875 4.2702 4.2702 4.2702 4.2702 4.5947 4.5947 4.5947 4.5947 12.1919 12.1919 12.1919 12.1919 17.7535 17.7535 17.7535 17.7535 k = 0.1923 0.1110 0.4157 ( 2348 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7512 -33.7512 -33.7512 -33.7512 -33.4732 -33.4732 -33.4732 -33.4732 -33.4527 -33.4527 -33.4527 -33.4527 -10.4542 -10.4542 -10.4542 -10.4542 2.6462 2.6462 2.6462 2.6462 4.2633 4.2633 4.2633 4.2633 4.6096 4.6096 4.6096 4.6096 12.2205 12.2205 12.2205 12.2205 17.7143 17.7143 17.7143 17.7143 k = 0.2019 0.1166 0.4157 ( 2348 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7514 -33.7514 -33.7514 -33.7514 -33.4738 -33.4738 -33.4738 -33.4738 -33.4524 -33.4524 -33.4524 -33.4524 -10.4463 -10.4463 -10.4463 -10.4463 2.6049 2.6049 2.6049 2.6049 4.2563 4.2563 4.2563 4.2563 4.6240 4.6240 4.6240 4.6240 12.2493 12.2493 12.2493 12.2493 17.6762 17.6762 17.6762 17.6762 k = 0.2115 0.1221 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7517 -33.7517 -33.7516 -33.7516 -33.4743 -33.4743 -33.4743 -33.4743 -33.4521 -33.4521 -33.4521 -33.4521 -10.4383 -10.4383 -10.4383 -10.4383 2.5638 2.5638 2.5638 2.5638 4.2491 4.2491 4.2491 4.2491 4.6377 4.6377 4.6377 4.6377 12.2783 12.2783 12.2783 12.2783 17.6391 17.6391 17.6391 17.6391 k = 0.2212 0.1277 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7519 -33.7519 -33.7519 -33.7519 -33.4749 -33.4749 -33.4749 -33.4749 -33.4518 -33.4518 -33.4518 -33.4518 -10.4300 -10.4300 -10.4300 -10.4300 2.5230 2.5230 2.5230 2.5230 4.2419 4.2419 4.2419 4.2419 4.6508 4.6508 4.6508 4.6508 12.3073 12.3073 12.3073 12.3073 17.6034 17.6034 17.6034 17.6034 k = 0.2308 0.1332 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7521 -33.7521 -33.7521 -33.7521 -33.4754 -33.4754 -33.4754 -33.4754 -33.4515 -33.4515 -33.4515 -33.4515 -10.4217 -10.4217 -10.4217 -10.4217 2.4825 2.4825 2.4825 2.4825 4.2346 4.2346 4.2346 4.2346 4.6633 4.6633 4.6633 4.6633 12.3362 12.3362 12.3362 12.3362 17.5691 17.5691 17.5691 17.5691 k = 0.2404 0.1388 0.4157 ( 2340 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7523 -33.7523 -33.7523 -33.7523 -33.4760 -33.4760 -33.4760 -33.4760 -33.4512 -33.4512 -33.4512 -33.4512 -10.4133 -10.4133 -10.4133 -10.4133 2.4425 2.4425 2.4425 2.4425 4.2273 4.2273 4.2273 4.2273 4.6751 4.6751 4.6751 4.6751 12.3648 12.3648 12.3648 12.3648 17.5363 17.5363 17.5363 17.5363 k = 0.2500 0.1443 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7525 -33.7525 -33.7525 -33.7525 -33.4765 -33.4765 -33.4765 -33.4765 -33.4509 -33.4509 -33.4509 -33.4509 -10.4049 -10.4049 -10.4049 -10.4049 2.4032 2.4032 2.4032 2.4032 4.2199 4.2199 4.2199 4.2199 4.6862 4.6862 4.6862 4.6862 12.3931 12.3931 12.3931 12.3931 17.5051 17.5051 17.5051 17.5051 k = 0.2596 0.1499 0.4157 ( 2346 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7528 -33.7528 -33.7528 -33.7528 -33.4770 -33.4770 -33.4770 -33.4770 -33.4507 -33.4507 -33.4507 -33.4507 -10.3964 -10.3964 -10.3964 -10.3964 2.3645 2.3645 2.3645 2.3645 4.2126 4.2126 4.2126 4.2126 4.6967 4.6967 4.6967 4.6967 12.4209 12.4209 12.4209 12.4209 17.4755 17.4755 17.4755 17.4755 k = 0.2692 0.1554 0.4157 ( 2340 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7530 -33.7530 -33.7530 -33.7530 -33.4775 -33.4775 -33.4775 -33.4775 -33.4504 -33.4504 -33.4504 -33.4504 -10.3880 -10.3880 -10.3880 -10.3880 2.3267 2.3267 2.3267 2.3267 4.2053 4.2053 4.2053 4.2053 4.7066 4.7066 4.7066 4.7066 12.4483 12.4483 12.4483 12.4483 17.4477 17.4477 17.4477 17.4477 k = 0.2788 0.1610 0.4157 ( 2340 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7532 -33.7532 -33.7532 -33.7532 -33.4780 -33.4780 -33.4780 -33.4780 -33.4502 -33.4502 -33.4502 -33.4502 -10.3795 -10.3795 -10.3795 -10.3795 2.2897 2.2897 2.2897 2.2897 4.1981 4.1981 4.1981 4.1981 4.7158 4.7158 4.7158 4.7158 12.4749 12.4749 12.4749 12.4749 17.4215 17.4215 17.4215 17.4215 k = 0.2885 0.1665 0.4157 ( 2344 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7534 -33.7534 -33.7534 -33.7534 -33.4785 -33.4785 -33.4785 -33.4785 -33.4500 -33.4500 -33.4500 -33.4500 -10.3712 -10.3712 -10.3712 -10.3712 2.2537 2.2537 2.2537 2.2537 4.1910 4.1910 4.1910 4.1910 4.7244 4.7244 4.7244 4.7244 12.5007 12.5007 12.5008 12.5008 17.3969 17.3969 17.3969 17.3969 k = 0.2981 0.1721 0.4157 ( 2344 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7536 -33.7536 -33.7536 -33.7536 -33.4789 -33.4789 -33.4789 -33.4789 -33.4498 -33.4498 -33.4498 -33.4498 -10.3630 -10.3630 -10.3630 -10.3630 2.2187 2.2187 2.2187 2.2187 4.1840 4.1840 4.1840 4.1840 4.7324 4.7324 4.7324 4.7324 12.5258 12.5258 12.5258 12.5258 17.3740 17.3740 17.3741 17.3741 k = 0.3077 0.1776 0.4157 ( 2356 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7539 -33.7539 -33.7539 -33.7539 -33.4794 -33.4794 -33.4794 -33.4794 -33.4496 -33.4496 -33.4496 -33.4496 -10.3549 -10.3549 -10.3549 -10.3549 2.1848 2.1848 2.1848 2.1848 4.1771 4.1771 4.1771 4.1771 4.7398 4.7398 4.7398 4.7398 12.5499 12.5499 12.5499 12.5499 17.3528 17.3528 17.3528 17.3528 k = 0.3173 0.1832 0.4157 ( 2362 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7541 -33.7541 -33.7541 -33.7541 -33.4798 -33.4798 -33.4798 -33.4798 -33.4494 -33.4494 -33.4494 -33.4494 -10.3470 -10.3470 -10.3470 -10.3470 2.1521 2.1521 2.1521 2.1521 4.1705 4.1705 4.1705 4.1705 4.7466 4.7466 4.7466 4.7466 12.5732 12.5732 12.5732 12.5732 17.3331 17.3331 17.3331 17.3331 k = 0.3269 0.1887 0.4157 ( 2362 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7543 -33.7543 -33.7543 -33.7543 -33.4802 -33.4802 -33.4802 -33.4802 -33.4493 -33.4493 -33.4493 -33.4493 -10.3393 -10.3393 -10.3393 -10.3393 2.1208 2.1208 2.1208 2.1208 4.1640 4.1640 4.1640 4.1640 4.7529 4.7529 4.7529 4.7529 12.5954 12.5954 12.5954 12.5954 17.3151 17.3151 17.3151 17.3151 k = 0.3365 0.1943 0.4157 ( 2362 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7545 -33.7545 -33.7545 -33.7545 -33.4806 -33.4806 -33.4806 -33.4806 -33.4491 -33.4491 -33.4491 -33.4491 -10.3318 -10.3318 -10.3318 -10.3318 2.0907 2.0907 2.0907 2.0907 4.1578 4.1578 4.1578 4.1578 4.7587 4.7587 4.7587 4.7587 12.6166 12.6166 12.6166 12.6166 17.2985 17.2985 17.2985 17.2985 k = 0.3462 0.1999 0.4157 ( 2362 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7547 -33.7547 -33.7547 -33.7547 -33.4810 -33.4810 -33.4810 -33.4810 -33.4489 -33.4489 -33.4489 -33.4489 -10.3245 -10.3245 -10.3245 -10.3245 2.0621 2.0621 2.0621 2.0621 4.1518 4.1518 4.1518 4.1518 4.7640 4.7640 4.7640 4.7640 12.6368 12.6368 12.6368 12.6368 17.2833 17.2833 17.2833 17.2833 k = 0.3558 0.2054 0.4157 ( 2358 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7549 -33.7549 -33.7549 -33.7549 -33.4814 -33.4814 -33.4814 -33.4814 -33.4488 -33.4488 -33.4488 -33.4488 -10.3176 -10.3176 -10.3176 -10.3176 2.0349 2.0349 2.0349 2.0349 4.1460 4.1460 4.1460 4.1460 4.7689 4.7689 4.7689 4.7689 12.6558 12.6558 12.6558 12.6558 17.2696 17.2696 17.2696 17.2696 k = 0.3654 0.2110 0.4157 ( 2366 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7551 -33.7551 -33.7551 -33.7551 -33.4817 -33.4817 -33.4817 -33.4817 -33.4486 -33.4486 -33.4486 -33.4486 -10.3109 -10.3109 -10.3109 -10.3109 2.0091 2.0091 2.0091 2.0091 4.1405 4.1405 4.1405 4.1405 4.7732 4.7732 4.7732 4.7732 12.6737 12.6737 12.6737 12.6737 17.2571 17.2571 17.2571 17.2571 k = 0.3750 0.2165 0.4157 ( 2366 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7552 -33.7552 -33.7552 -33.7552 -33.4820 -33.4820 -33.4820 -33.4820 -33.4485 -33.4485 -33.4485 -33.4485 -10.3046 -10.3046 -10.3046 -10.3046 1.9850 1.9850 1.9850 1.9850 4.1353 4.1353 4.1353 4.1353 4.7772 4.7772 4.7772 4.7772 12.6904 12.6904 12.6904 12.6904 17.2458 17.2458 17.2458 17.2458 k = 0.3846 0.2221 0.4157 ( 2366 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7554 -33.7554 -33.7554 -33.7554 -33.4823 -33.4823 -33.4823 -33.4823 -33.4484 -33.4484 -33.4484 -33.4484 -10.2987 -10.2987 -10.2987 -10.2987 1.9624 1.9624 1.9624 1.9624 4.1305 4.1305 4.1305 4.1305 4.7807 4.7807 4.7807 4.7807 12.7059 12.7059 12.7059 12.7059 17.2357 17.2357 17.2357 17.2357 k = 0.3942 0.2276 0.4157 ( 2370 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7556 -33.7556 -33.7556 -33.7556 -33.4826 -33.4826 -33.4826 -33.4826 -33.4483 -33.4483 -33.4483 -33.4483 -10.2931 -10.2931 -10.2931 -10.2931 1.9415 1.9415 1.9415 1.9415 4.1259 4.1259 4.1259 4.1259 4.7839 4.7839 4.7839 4.7839 12.7202 12.7202 12.7202 12.7202 17.2267 17.2267 17.2267 17.2267 k = 0.4038 0.2332 0.4157 ( 2366 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7557 -33.7557 -33.7557 -33.7557 -33.4829 -33.4829 -33.4829 -33.4829 -33.4482 -33.4482 -33.4482 -33.4482 -10.2879 -10.2879 -10.2879 -10.2879 1.9223 1.9223 1.9223 1.9223 4.1217 4.1217 4.1217 4.1217 4.7867 4.7867 4.7867 4.7867 12.7333 12.7333 12.7333 12.7333 17.2187 17.2187 17.2187 17.2187 k = 0.4135 0.2387 0.4157 ( 2366 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7558 -33.7558 -33.7558 -33.7558 -33.4831 -33.4831 -33.4831 -33.4831 -33.4481 -33.4481 -33.4481 -33.4481 -10.2832 -10.2832 -10.2832 -10.2832 1.9048 1.9048 1.9048 1.9048 4.1179 4.1179 4.1179 4.1179 4.7892 4.7892 4.7892 4.7892 12.7452 12.7452 12.7452 12.7452 17.2117 17.2117 17.2117 17.2117 k = 0.4231 0.2443 0.4157 ( 2368 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7559 -33.7559 -33.7559 -33.7559 -33.4833 -33.4833 -33.4833 -33.4833 -33.4480 -33.4480 -33.4480 -33.4480 -10.2789 -10.2789 -10.2789 -10.2789 1.8890 1.8890 1.8890 1.8890 4.1145 4.1145 4.1145 4.1145 4.7913 4.7913 4.7913 4.7913 12.7558 12.7558 12.7558 12.7558 17.2055 17.2055 17.2055 17.2055 k = 0.4327 0.2498 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7560 -33.7560 -33.7560 -33.7560 -33.4835 -33.4835 -33.4835 -33.4835 -33.4479 -33.4479 -33.4479 -33.4479 -10.2751 -10.2751 -10.2751 -10.2751 1.8751 1.8751 1.8751 1.8751 4.1114 4.1114 4.1114 4.1114 4.7932 4.7932 4.7932 4.7932 12.7652 12.7652 12.7652 12.7652 17.2002 17.2002 17.2002 17.2002 k = 0.4423 0.2554 0.4157 ( 2368 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7561 -33.7561 -33.7561 -33.7561 -33.4836 -33.4836 -33.4836 -33.4836 -33.4479 -33.4479 -33.4479 -33.4479 -10.2717 -10.2717 -10.2717 -10.2717 1.8629 1.8629 1.8629 1.8629 4.1087 4.1087 4.1087 4.1087 4.7948 4.7948 4.7948 4.7948 12.7733 12.7733 12.7733 12.7733 17.1957 17.1957 17.1957 17.1957 k = 0.4519 0.2609 0.4157 ( 2368 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7562 -33.7562 -33.7562 -33.7562 -33.4838 -33.4838 -33.4838 -33.4838 -33.4478 -33.4478 -33.4478 -33.4478 -10.2689 -10.2689 -10.2689 -10.2689 1.8525 1.8525 1.8525 1.8525 4.1064 4.1064 4.1064 4.1064 4.7961 4.7961 4.7961 4.7961 12.7802 12.7802 12.7802 12.7802 17.1920 17.1920 17.1920 17.1920 k = 0.4615 0.2665 0.4157 ( 2368 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4839 -33.4839 -33.4839 -33.4839 -33.4478 -33.4478 -33.4478 -33.4478 -10.2665 -10.2665 -10.2665 -10.2665 1.8441 1.8441 1.8441 1.8441 4.1045 4.1045 4.1045 4.1045 4.7972 4.7972 4.7972 4.7972 12.7858 12.7858 12.7858 12.7858 17.1890 17.1890 17.1890 17.1890 k = 0.4712 0.2720 0.4157 ( 2368 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4840 -33.4840 -33.4840 -33.4840 -33.4477 -33.4477 -33.4477 -33.4477 -10.2647 -10.2647 -10.2647 -10.2647 1.8375 1.8375 1.8375 1.8375 4.1031 4.1031 4.1031 4.1031 4.7980 4.7980 4.7980 4.7980 12.7902 12.7902 12.7902 12.7902 17.1867 17.1867 17.1867 17.1867 k = 0.4808 0.2776 0.4157 ( 2370 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4840 -33.4840 -33.4840 -33.4840 -33.4477 -33.4477 -33.4477 -33.4477 -10.2634 -10.2634 -10.2634 -10.2634 1.8327 1.8327 1.8327 1.8327 4.1020 4.1020 4.1020 4.1020 4.7986 4.7986 4.7986 4.7986 12.7933 12.7933 12.7933 12.7933 17.1850 17.1850 17.1850 17.1850 k = 0.4904 0.2831 0.4157 ( 2362 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4840 -33.4840 -33.4840 -33.4840 -33.4477 -33.4477 -33.4477 -33.4477 -10.2626 -10.2626 -10.2626 -10.2626 1.8299 1.8299 1.8299 1.8299 4.1014 4.1014 4.1014 4.1014 4.7989 4.7989 4.7989 4.7989 12.7953 12.7953 12.7953 12.7953 17.1841 17.1841 17.1841 17.1841 k = 0.5000 0.2887 0.4157 ( 2356 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4840 -33.4840 -33.4840 -33.4840 -33.4477 -33.4477 -33.4477 -33.4477 -10.2623 -10.2623 -10.2623 -10.2623 1.8290 1.8290 1.8290 1.8290 4.1012 4.1012 4.1012 4.1012 4.7991 4.7991 4.7991 4.7991 12.7959 12.7959 12.7959 12.7959 17.1838 17.1838 17.1838 17.1838 k = 0.5000 0.2887 0.4157 ( 2356 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4840 -33.4840 -33.4840 -33.4840 -33.4477 -33.4477 -33.4477 -33.4477 -10.2623 -10.2623 -10.2623 -10.2623 1.8290 1.8290 1.8290 1.8290 4.1012 4.1012 4.1012 4.1012 4.7991 4.7991 4.7991 4.7991 12.7959 12.7959 12.7959 12.7959 17.1838 17.1838 17.1838 17.1838 k = 0.4944 0.2983 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7565 -33.7565 -33.7562 -33.7562 -33.4847 -33.4847 -33.4835 -33.4835 -33.4482 -33.4482 -33.4473 -33.4473 -10.2623 -10.2623 -10.2622 -10.2622 1.8294 1.8294 1.8297 1.8297 4.0969 4.0969 4.0980 4.0980 4.8009 4.8009 4.8023 4.8023 12.7976 12.7976 12.7981 12.7981 17.1817 17.1817 17.1821 17.1821 k = 0.4889 0.3079 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7566 -33.7566 -33.7561 -33.7561 -33.4853 -33.4853 -33.4829 -33.4829 -33.4486 -33.4486 -33.4468 -33.4468 -10.2621 -10.2621 -10.2619 -10.2619 1.8311 1.8311 1.8315 1.8315 4.0853 4.0853 4.0876 4.0876 4.8077 4.8077 4.8104 4.8104 12.8032 12.8032 12.8041 12.8041 17.1759 17.1759 17.1766 17.1766 k = 0.4833 0.3175 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7568 -33.7568 -33.7559 -33.7559 -33.4858 -33.4858 -33.4822 -33.4822 -33.4491 -33.4491 -33.4464 -33.4464 -10.2617 -10.2617 -10.2614 -10.2614 1.8339 1.8339 1.8346 1.8346 4.0671 4.0671 4.0703 4.0703 4.8190 4.8190 4.8229 4.8229 12.8126 12.8126 12.8140 12.8140 17.1663 17.1663 17.1674 17.1674 k = 0.4778 0.3272 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7570 -33.7570 -33.7558 -33.7558 -33.4864 -33.4864 -33.4816 -33.4816 -33.4496 -33.4496 -33.4460 -33.4460 -10.2612 -10.2612 -10.2608 -10.2608 1.8379 1.8379 1.8387 1.8387 4.0430 4.0430 4.0471 4.0471 4.8340 4.8340 4.8390 4.8390 12.8258 12.8258 12.8277 12.8277 17.1527 17.1527 17.1542 17.1542 k = 0.4722 0.3368 0.4157 ( 2360 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7571 -33.7571 -33.7557 -33.7557 -33.4870 -33.4870 -33.4810 -33.4810 -33.4501 -33.4501 -33.4456 -33.4456 -10.2605 -10.2605 -10.2601 -10.2601 1.8430 1.8430 1.8441 1.8441 4.0138 4.0138 4.0186 4.0186 4.8520 4.8520 4.8580 4.8580 12.8426 12.8426 12.8450 12.8450 17.1352 17.1352 17.1371 17.1371 k = 0.4667 0.3464 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7573 -33.7573 -33.7556 -33.7556 -33.4875 -33.4875 -33.4804 -33.4804 -33.4506 -33.4506 -33.4452 -33.4452 -10.2596 -10.2596 -10.2592 -10.2592 1.8492 1.8492 1.8505 1.8505 3.9805 3.9805 3.9858 3.9858 4.8722 4.8722 4.8789 4.8789 12.8630 12.8630 12.8658 12.8658 17.1136 17.1136 17.1159 17.1159 k = 0.4611 0.3560 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7574 -33.7574 -33.7554 -33.7554 -33.4881 -33.4881 -33.4798 -33.4798 -33.4511 -33.4511 -33.4449 -33.4449 -10.2587 -10.2587 -10.2581 -10.2581 1.8564 1.8564 1.8580 1.8580 3.9437 3.9437 3.9495 3.9495 4.8939 4.8939 4.9013 4.9013 12.8868 12.8868 12.8901 12.8901 17.0879 17.0879 17.0905 17.0905 k = 0.4556 0.3657 0.4157 ( 2360 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7576 -33.7576 -33.7553 -33.7553 -33.4886 -33.4886 -33.4792 -33.4792 -33.4516 -33.4516 -33.4445 -33.4445 -10.2576 -10.2576 -10.2569 -10.2569 1.8647 1.8647 1.8665 1.8665 3.9043 3.9043 3.9105 3.9105 4.9165 4.9165 4.9244 4.9244 12.9139 12.9139 12.9176 12.9176 17.0579 17.0579 17.0610 17.0610 k = 0.4500 0.3753 0.4157 ( 2360 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7577 -33.7577 -33.7552 -33.7552 -33.4891 -33.4891 -33.4786 -33.4786 -33.4521 -33.4521 -33.4442 -33.4441 -10.2563 -10.2563 -10.2556 -10.2556 1.8740 1.8740 1.8760 1.8760 3.8628 3.8628 3.8692 3.8692 4.9394 4.9394 4.9478 4.9478 12.9439 12.9439 12.9480 12.9480 17.0238 17.0238 17.0273 17.0273 k = 0.4444 0.3849 0.4157 ( 2360 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7579 -33.7579 -33.7551 -33.7551 -33.4896 -33.4896 -33.4780 -33.4780 -33.4526 -33.4526 -33.4438 -33.4438 -10.2550 -10.2550 -10.2542 -10.2542 1.8841 1.8841 1.8863 1.8863 3.8197 3.8197 3.8264 3.8264 4.9624 4.9624 4.9712 4.9712 12.9767 12.9767 12.9812 12.9812 16.9856 16.9856 16.9895 16.9895 k = 0.4389 0.3945 0.4157 ( 2356 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7580 -33.7580 -33.7550 -33.7550 -33.4901 -33.4901 -33.4774 -33.4774 -33.4531 -33.4531 -33.4435 -33.4435 -10.2535 -10.2535 -10.2527 -10.2527 1.8951 1.8951 1.8976 1.8976 3.7756 3.7756 3.7825 3.7825 4.9850 4.9850 4.9941 4.9941 13.0121 13.0121 13.0170 13.0170 16.9435 16.9435 16.9478 16.9478 k = 0.4333 0.4041 0.4157 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7582 -33.7582 -33.7549 -33.7549 -33.4905 -33.4905 -33.4768 -33.4768 -33.4536 -33.4536 -33.4432 -33.4432 -10.2520 -10.2520 -10.2511 -10.2511 1.9069 1.9069 1.9096 1.9096 3.7308 3.7308 3.7379 3.7379 5.0071 5.0071 5.0165 5.0165 13.0497 13.0497 13.0550 13.0550 16.8979 16.8979 16.9025 16.9025 k = 0.4278 0.4138 0.4157 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7583 -33.7583 -33.7549 -33.7549 -33.4910 -33.4910 -33.4762 -33.4762 -33.4542 -33.4542 -33.4429 -33.4429 -10.2504 -10.2504 -10.2494 -10.2494 1.9193 1.9193 1.9223 1.9223 3.6858 3.6858 3.6931 3.6931 5.0284 5.0284 5.0380 5.0380 13.0892 13.0892 13.0948 13.0948 16.8490 16.8490 16.8540 16.8540 k = 0.4222 0.4234 0.4157 ( 2364 PWs) bands (ev): -66.8005 -66.8004 -66.8004 -66.8004 -33.7585 -33.7585 -33.7548 -33.7548 -33.4914 -33.4914 -33.4757 -33.4757 -33.4547 -33.4547 -33.4427 -33.4427 -10.2487 -10.2487 -10.2477 -10.2477 1.9323 1.9323 1.9355 1.9355 3.6408 3.6408 3.6483 3.6483 5.0487 5.0487 5.0585 5.0585 13.1303 13.1303 13.1362 13.1362 16.7974 16.7974 16.8028 16.8028 k = 0.4167 0.4330 0.4157 ( 2364 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7586 -33.7586 -33.7548 -33.7548 -33.4918 -33.4918 -33.4751 -33.4751 -33.4552 -33.4552 -33.4425 -33.4425 -10.2470 -10.2470 -10.2459 -10.2459 1.9457 1.9457 1.9493 1.9493 3.5963 3.5963 3.6039 3.6039 5.0680 5.0680 5.0780 5.0780 13.1726 13.1726 13.1789 13.1789 16.7438 16.7438 16.7494 16.7494 k = 0.4111 0.4426 0.4157 ( 2368 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7588 -33.7588 -33.7547 -33.7547 -33.4922 -33.4922 -33.4746 -33.4746 -33.4557 -33.4557 -33.4423 -33.4423 -10.2453 -10.2453 -10.2441 -10.2441 1.9595 1.9595 1.9633 1.9633 3.5526 3.5526 3.5603 3.5603 5.0862 5.0862 5.0964 5.0964 13.2157 13.2157 13.2222 13.2222 16.6887 16.6887 16.6946 16.6946 k = 0.4056 0.4523 0.4157 ( 2368 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7589 -33.7589 -33.7547 -33.7547 -33.4926 -33.4926 -33.4740 -33.4740 -33.4562 -33.4562 -33.4420 -33.4420 -10.2435 -10.2435 -10.2423 -10.2423 1.9734 1.9734 1.9775 1.9775 3.5099 3.5099 3.5179 3.5179 5.1032 5.1032 5.1135 5.1135 13.2592 13.2592 13.2660 13.2660 16.6329 16.6329 16.6391 16.6391 k = 0.4000 0.4619 0.4157 ( 2368 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7590 -33.7590 -33.7546 -33.7546 -33.4929 -33.4929 -33.4735 -33.4735 -33.4567 -33.4567 -33.4418 -33.4418 -10.2418 -10.2418 -10.2405 -10.2405 1.9874 1.9874 1.9918 1.9918 3.4687 3.4687 3.4769 3.4769 5.1189 5.1189 5.1293 5.1293 13.3026 13.3026 13.3096 13.3096 16.5771 16.5771 16.5835 16.5835 k = 0.3944 0.4715 0.4157 ( 2368 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7591 -33.7591 -33.7546 -33.7546 -33.4933 -33.4933 -33.4730 -33.4730 -33.4572 -33.4572 -33.4417 -33.4417 -10.2401 -10.2400 -10.2388 -10.2387 2.0012 2.0012 2.0059 2.0059 3.4293 3.4293 3.4376 3.4376 5.1334 5.1334 5.1439 5.1439 13.3454 13.3454 13.3527 13.3527 16.5221 16.5221 16.5287 16.5287 k = 0.3889 0.4811 0.4157 ( 2368 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7593 -33.7593 -33.7546 -33.7545 -33.4936 -33.4936 -33.4726 -33.4726 -33.4576 -33.4576 -33.4415 -33.4415 -10.2384 -10.2384 -10.2370 -10.2370 2.0147 2.0147 2.0197 2.0197 3.3919 3.3919 3.4004 3.4004 5.1466 5.1466 5.1572 5.1572 13.3871 13.3871 13.3946 13.3946 16.4687 16.4687 16.4754 16.4754 k = 0.3833 0.4907 0.4157 ( 2360 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7593 -33.7593 -33.7545 -33.7545 -33.4938 -33.4938 -33.4721 -33.4721 -33.4581 -33.4581 -33.4413 -33.4413 -10.2368 -10.2368 -10.2354 -10.2354 2.0277 2.0277 2.0330 2.0330 3.3569 3.3569 3.3656 3.3656 5.1585 5.1585 5.1692 5.1692 13.4272 13.4272 13.4349 13.4349 16.4176 16.4176 16.4245 16.4245 k = 0.3778 0.5004 0.4157 ( 2360 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7594 -33.7594 -33.7545 -33.7545 -33.4940 -33.4940 -33.4717 -33.4717 -33.4584 -33.4584 -33.4412 -33.4412 -10.2353 -10.2353 -10.2339 -10.2339 2.0399 2.0399 2.0455 2.0455 3.3246 3.3246 3.3335 3.3335 5.1691 5.1691 5.1798 5.1798 13.4651 13.4651 13.4730 13.4730 16.3695 16.3695 16.3765 16.3765 k = 0.3722 0.5100 0.4157 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7595 -33.7595 -33.7544 -33.7544 -33.4942 -33.4942 -33.4713 -33.4713 -33.4588 -33.4588 -33.4411 -33.4411 -10.2339 -10.2339 -10.2324 -10.2324 2.0512 2.0512 2.0571 2.0571 3.2954 3.2954 3.3045 3.3045 5.1783 5.1783 5.1891 5.1891 13.5002 13.5002 13.5082 13.5082 16.3252 16.3252 16.3323 16.3323 k = 0.3667 0.5196 0.4157 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7596 -33.7596 -33.7544 -33.7544 -33.4944 -33.4944 -33.4710 -33.4710 -33.4591 -33.4591 -33.4410 -33.4410 -10.2326 -10.2326 -10.2311 -10.2311 2.0613 2.0613 2.0675 2.0675 3.2694 3.2694 3.2787 3.2787 5.1863 5.1863 5.1971 5.1971 13.5320 13.5321 13.5402 13.5402 16.2852 16.2852 16.2924 16.2924 k = 0.3611 0.5292 0.4157 ( 2350 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7596 -33.7596 -33.7544 -33.7544 -33.4946 -33.4946 -33.4707 -33.4707 -33.4594 -33.4594 -33.4409 -33.4409 -10.2314 -10.2314 -10.2299 -10.2299 2.0702 2.0702 2.0766 2.0766 3.2470 3.2470 3.2565 3.2565 5.1930 5.1930 5.2038 5.2038 13.5600 13.5600 13.5682 13.5682 16.2504 16.2504 16.2576 16.2576 k = 0.3556 0.5389 0.4157 ( 2350 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4947 -33.4947 -33.4704 -33.4704 -33.4597 -33.4597 -33.4408 -33.4408 -10.2305 -10.2305 -10.2290 -10.2290 2.0775 2.0775 2.0842 2.0842 3.2284 3.2284 3.2381 3.2381 5.1984 5.1984 5.2093 5.2093 13.5836 13.5836 13.5919 13.5919 16.2211 16.2211 16.2283 16.2283 k = 0.3500 0.5485 0.4157 ( 2350 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4948 -33.4948 -33.4702 -33.4702 -33.4599 -33.4599 -33.4408 -33.4408 -10.2297 -10.2297 -10.2282 -10.2282 2.0833 2.0833 2.0901 2.0901 3.2138 3.2138 3.2236 3.2236 5.2026 5.2026 5.2135 5.2135 13.6024 13.6024 13.6107 13.6107 16.1978 16.1978 16.2051 16.2051 k = 0.3444 0.5581 0.4157 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4949 -33.4949 -33.4701 -33.4701 -33.4600 -33.4600 -33.4407 -33.4407 -10.2291 -10.2291 -10.2275 -10.2275 2.0874 2.0874 2.0943 2.0943 3.2033 3.2033 3.2132 3.2132 5.2055 5.2055 5.2164 5.2164 13.6160 13.6160 13.6244 13.6244 16.1811 16.1811 16.1884 16.1884 k = 0.3389 0.5677 0.4157 ( 2354 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4949 -33.4949 -33.4700 -33.4700 -33.4601 -33.4601 -33.4407 -33.4407 -10.2287 -10.2287 -10.2272 -10.2272 2.0898 2.0898 2.0968 2.0968 3.1971 3.1971 3.2070 3.2070 5.2073 5.2073 5.2182 5.2182 13.6243 13.6243 13.6327 13.6327 16.1708 16.1708 16.1782 16.1782 k = 0.3333 0.5774 0.4157 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4950 -33.4950 -33.4700 -33.4700 -33.4601 -33.4601 -33.4407 -33.4407 -10.2286 -10.2286 -10.2271 -10.2271 2.0906 2.0906 2.0976 2.0976 3.1949 3.1949 3.2049 3.2049 5.2078 5.2078 5.2187 5.2187 13.6270 13.6270 13.6355 13.6355 16.1674 16.1674 16.1748 16.1748 k = 0.3333 0.5774 0.4157 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4950 -33.4950 -33.4700 -33.4700 -33.4601 -33.4601 -33.4407 -33.4407 -10.2286 -10.2286 -10.2271 -10.2271 2.0906 2.0906 2.0976 2.0976 3.1949 3.1949 3.2049 3.2049 5.2078 5.2078 5.2187 5.2187 13.6270 13.6270 13.6355 13.6355 16.1674 16.1674 16.1748 16.1748 k = 0.3278 0.5677 0.4157 ( 2354 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4949 -33.4949 -33.4700 -33.4700 -33.4601 -33.4601 -33.4407 -33.4407 -10.2287 -10.2287 -10.2272 -10.2272 2.0899 2.0899 2.0969 2.0969 3.1970 3.1970 3.2070 3.2070 5.2073 5.2073 5.2182 5.2182 13.6243 13.6243 13.6327 13.6327 16.1708 16.1708 16.1782 16.1782 k = 0.3222 0.5581 0.4157 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4948 -33.4948 -33.4701 -33.4701 -33.4600 -33.4600 -33.4407 -33.4407 -10.2291 -10.2291 -10.2276 -10.2276 2.0878 2.0878 2.0947 2.0947 3.2031 3.2031 3.2130 3.2130 5.2056 5.2056 5.2165 5.2165 13.6162 13.6162 13.6246 13.6246 16.1808 16.1808 16.1881 16.1881 k = 0.3167 0.5485 0.4157 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4948 -33.4948 -33.4702 -33.4702 -33.4599 -33.4599 -33.4408 -33.4408 -10.2298 -10.2298 -10.2283 -10.2283 2.0846 2.0846 2.0914 2.0914 3.2128 3.2128 3.2226 3.2226 5.2028 5.2028 5.2137 5.2137 13.6030 13.6030 13.6113 13.6113 16.1969 16.1969 16.2042 16.2042 k = 0.3111 0.5389 0.4157 ( 2350 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4947 -33.4947 -33.4704 -33.4704 -33.4597 -33.4597 -33.4408 -33.4408 -10.2308 -10.2308 -10.2293 -10.2293 2.0805 2.0805 2.0871 2.0871 3.2260 3.2260 3.2357 3.2357 5.1990 5.1990 5.2099 5.2099 13.5849 13.5849 13.5932 13.5932 16.2187 16.2188 16.2260 16.2260 k = 0.3056 0.5292 0.4157 ( 2350 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7596 -33.7596 -33.7544 -33.7544 -33.4946 -33.4946 -33.4705 -33.4705 -33.4595 -33.4595 -33.4409 -33.4409 -10.2321 -10.2321 -10.2306 -10.2306 2.0758 2.0758 2.0822 2.0822 3.2424 3.2424 3.2520 3.2520 5.1942 5.1942 5.2050 5.2050 13.5624 13.5624 13.5707 13.5707 16.2461 16.2461 16.2532 16.2532 k = 0.3000 0.5196 0.4157 ( 2350 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7595 -33.7595 -33.7544 -33.7544 -33.4944 -33.4944 -33.4707 -33.4707 -33.4593 -33.4593 -33.4410 -33.4410 -10.2337 -10.2337 -10.2323 -10.2323 2.0707 2.0707 2.0770 2.0770 3.2618 3.2618 3.2712 3.2712 5.1883 5.1883 5.1992 5.1992 13.5360 13.5360 13.5442 13.5442 16.2782 16.2782 16.2853 16.2853 k = 0.2944 0.5100 0.4157 ( 2354 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7595 -33.7595 -33.7544 -33.7544 -33.4942 -33.4942 -33.4710 -33.4710 -33.4591 -33.4591 -33.4411 -33.4411 -10.2357 -10.2357 -10.2342 -10.2342 2.0656 2.0656 2.0717 2.0717 3.2837 3.2837 3.2930 3.2930 5.1815 5.1815 5.1923 5.1923 13.5060 13.5060 13.5142 13.5142 16.3146 16.3146 16.3215 16.3215 k = 0.2889 0.5004 0.4157 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7594 -33.7594 -33.7544 -33.7544 -33.4940 -33.4940 -33.4712 -33.4712 -33.4588 -33.4588 -33.4412 -33.4412 -10.2380 -10.2380 -10.2366 -10.2366 2.0607 2.0607 2.0665 2.0665 3.3079 3.3079 3.3171 3.3171 5.1738 5.1738 5.1846 5.1846 13.4731 13.4731 13.4811 13.4811 16.3546 16.3546 16.3613 16.3613 k = 0.2833 0.4907 0.4157 ( 2362 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7593 -33.7593 -33.7544 -33.7544 -33.4937 -33.4937 -33.4714 -33.4714 -33.4586 -33.4586 -33.4413 -33.4413 -10.2407 -10.2407 -10.2393 -10.2393 2.0563 2.0563 2.0619 2.0619 3.3342 3.3342 3.3432 3.3432 5.1652 5.1652 5.1760 5.1760 13.4375 13.4375 13.4455 13.4455 16.3977 16.3977 16.4042 16.4042 k = 0.2778 0.4811 0.4157 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7591 -33.7591 -33.7543 -33.7543 -33.4935 -33.4935 -33.4717 -33.4717 -33.4583 -33.4583 -33.4414 -33.4414 -10.2437 -10.2437 -10.2423 -10.2423 2.0526 2.0526 2.0579 2.0579 3.3623 3.3623 3.3712 3.3712 5.1558 5.1558 5.1665 5.1665 13.3998 13.3998 13.4077 13.4077 16.4434 16.4434 16.4496 16.4496 k = 0.2722 0.4715 0.4157 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7590 -33.7590 -33.7543 -33.7543 -33.4931 -33.4931 -33.4719 -33.4719 -33.4580 -33.4580 -33.4416 -33.4416 -10.2470 -10.2470 -10.2457 -10.2457 2.0497 2.0497 2.0548 2.0548 3.3919 3.3919 3.4006 3.4006 5.1455 5.1455 5.1562 5.1562 13.3604 13.3604 13.3682 13.3682 16.4910 16.4910 16.4970 16.4970 k = 0.2667 0.4619 0.4157 ( 2358 PWs) bands (ev): -66.8005 -66.8005 -66.8004 -66.8004 -33.7588 -33.7588 -33.7543 -33.7543 -33.4928 -33.4928 -33.4721 -33.4721 -33.4578 -33.4578 -33.4417 -33.4417 -10.2507 -10.2507 -10.2494 -10.2494 2.0480 2.0480 2.0529 2.0529 3.4227 3.4227 3.4313 3.4313 5.1344 5.1344 5.1451 5.1451 13.3196 13.3196 13.3272 13.3272 16.5402 16.5402 16.5459 16.5459 k = 0.2611 0.4523 0.4157 ( 2358 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7587 -33.7587 -33.7542 -33.7542 -33.4924 -33.4924 -33.4723 -33.4723 -33.4575 -33.4575 -33.4419 -33.4419 -10.2548 -10.2548 -10.2536 -10.2536 2.0475 2.0475 2.0521 2.0521 3.4546 3.4546 3.4631 3.4631 5.1226 5.1226 5.1333 5.1333 13.2777 13.2777 13.2853 13.2853 16.5904 16.5904 16.5957 16.5957 k = 0.2556 0.4426 0.4157 ( 2358 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7585 -33.7585 -33.7542 -33.7542 -33.4920 -33.4920 -33.4725 -33.4725 -33.4572 -33.4572 -33.4421 -33.4421 -10.2593 -10.2593 -10.2580 -10.2580 2.0484 2.0484 2.0528 2.0528 3.4873 3.4873 3.4956 3.4956 5.1101 5.1101 5.1207 5.1207 13.2350 13.2351 13.2425 13.2425 16.6413 16.6413 16.6462 16.6462 k = 0.2500 0.4330 0.4157 ( 2362 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7583 -33.7583 -33.7542 -33.7542 -33.4916 -33.4916 -33.4727 -33.4727 -33.4570 -33.4570 -33.4423 -33.4423 -10.2640 -10.2640 -10.2629 -10.2629 2.0508 2.0508 2.0550 2.0550 3.5206 3.5206 3.5288 3.5288 5.0969 5.0969 5.1075 5.1075 13.1919 13.1919 13.1992 13.1992 16.6923 16.6923 16.6968 16.6968 k = 0.2444 0.4234 0.4157 ( 2354 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7581 -33.7581 -33.7541 -33.7541 -33.4912 -33.4912 -33.4729 -33.4729 -33.4567 -33.4567 -33.4425 -33.4425 -10.2692 -10.2692 -10.2680 -10.2680 2.0549 2.0549 2.0588 2.0588 3.5544 3.5544 3.5626 3.5626 5.0831 5.0831 5.0936 5.0936 13.1485 13.1485 13.1557 13.1557 16.7433 16.7433 16.7473 16.7473 k = 0.2389 0.4138 0.4157 ( 2350 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7579 -33.7579 -33.7540 -33.7540 -33.4907 -33.4907 -33.4730 -33.4730 -33.4565 -33.4565 -33.4427 -33.4427 -10.2746 -10.2746 -10.2736 -10.2736 2.0606 2.0606 2.0643 2.0643 3.5884 3.5884 3.5966 3.5966 5.0686 5.0686 5.0791 5.0791 13.1050 13.1050 13.1120 13.1120 16.7938 16.7938 16.7973 16.7973 k = 0.2333 0.4041 0.4157 ( 2350 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7576 -33.7576 -33.7539 -33.7539 -33.4902 -33.4902 -33.4731 -33.4731 -33.4562 -33.4562 -33.4430 -33.4430 -10.2804 -10.2804 -10.2794 -10.2794 2.0680 2.0680 2.0716 2.0716 3.6227 3.6227 3.6308 3.6308 5.0536 5.0536 5.0641 5.0641 13.0614 13.0614 13.0683 13.0683 16.8436 16.8436 16.8466 16.8466 k = 0.2278 0.3945 0.4157 ( 2350 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7574 -33.7574 -33.7539 -33.7539 -33.4897 -33.4897 -33.4733 -33.4733 -33.4560 -33.4560 -33.4432 -33.4432 -10.2866 -10.2866 -10.2856 -10.2856 2.0773 2.0773 2.0806 2.0806 3.6569 3.6569 3.6650 3.6650 5.0380 5.0380 5.0485 5.0485 13.0181 13.0181 13.0248 13.0248 16.8926 16.8926 16.8950 16.8950 k = 0.2222 0.3849 0.4157 ( 2354 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7572 -33.7572 -33.7538 -33.7538 -33.4891 -33.4891 -33.4734 -33.4734 -33.4558 -33.4558 -33.4435 -33.4435 -10.2930 -10.2930 -10.2920 -10.2920 2.0884 2.0884 2.0915 2.0915 3.6910 3.6910 3.6990 3.6990 5.0220 5.0220 5.0323 5.0323 12.9751 12.9751 12.9816 12.9816 16.9403 16.9403 16.9422 16.9422 k = 0.2167 0.3753 0.4157 ( 2346 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7569 -33.7569 -33.7537 -33.7537 -33.4885 -33.4885 -33.4734 -33.4734 -33.4556 -33.4556 -33.4438 -33.4438 -10.2997 -10.2997 -10.2988 -10.2988 2.1014 2.1014 2.1043 2.1043 3.7248 3.7248 3.7328 3.7328 5.0055 5.0055 5.0158 5.0158 12.9324 12.9324 12.9388 12.9388 16.9870 16.9870 16.9882 16.9882 k = 0.2111 0.3657 0.4157 ( 2342 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7566 -33.7566 -33.7536 -33.7536 -33.4880 -33.4880 -33.4735 -33.4735 -33.4554 -33.4554 -33.4440 -33.4440 -10.3067 -10.3067 -10.3058 -10.3058 2.1162 2.1162 2.1190 2.1190 3.7583 3.7583 3.7663 3.7663 4.9885 4.9885 4.9988 4.9988 12.8902 12.8902 12.8964 12.8964 17.0323 17.0323 17.0330 17.0330 k = 0.2056 0.3560 0.4157 ( 2342 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7564 -33.7564 -33.7535 -33.7535 -33.4873 -33.4873 -33.4735 -33.4735 -33.4552 -33.4552 -33.4443 -33.4443 -10.3139 -10.3139 -10.3131 -10.3131 2.1328 2.1328 2.1355 2.1355 3.7913 3.7913 3.7993 3.7993 4.9711 4.9711 4.9814 4.9814 12.8484 12.8484 12.8544 12.8544 17.0763 17.0763 17.0764 17.0764 k = 0.2000 0.3464 0.4157 ( 2336 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7561 -33.7561 -33.7533 -33.7533 -33.4867 -33.4867 -33.4735 -33.4735 -33.4550 -33.4550 -33.4446 -33.4446 -10.3214 -10.3214 -10.3207 -10.3207 2.1514 2.1514 2.1539 2.1539 3.8238 3.8238 3.8318 3.8318 4.9534 4.9534 4.9636 4.9636 12.8073 12.8073 12.8131 12.8131 17.1184 17.1184 17.1189 17.1189 k = 0.1944 0.3368 0.4157 ( 2340 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7558 -33.7558 -33.7532 -33.7532 -33.4861 -33.4861 -33.4735 -33.4735 -33.4549 -33.4549 -33.4450 -33.4450 -10.3291 -10.3291 -10.3284 -10.3284 2.1717 2.1717 2.1741 2.1741 3.8556 3.8556 3.8636 3.8636 4.9353 4.9353 4.9454 4.9454 12.7666 12.7666 12.7722 12.7722 17.1592 17.1592 17.1603 17.1603 k = 0.1889 0.3272 0.4157 ( 2344 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7555 -33.7555 -33.7531 -33.7531 -33.4854 -33.4854 -33.4735 -33.4735 -33.4548 -33.4548 -33.4453 -33.4453 -10.3370 -10.3370 -10.3364 -10.3364 2.1939 2.1939 2.1961 2.1961 3.8866 3.8866 3.8946 3.8946 4.9170 4.9170 4.9270 4.9270 12.7265 12.7265 12.7319 12.7319 17.1989 17.1989 17.2005 17.2005 k = 0.1833 0.3175 0.4157 ( 2340 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7552 -33.7552 -33.7530 -33.7530 -33.4847 -33.4847 -33.4735 -33.4735 -33.4547 -33.4547 -33.4457 -33.4457 -10.3451 -10.3451 -10.3445 -10.3445 2.2178 2.2178 2.2198 2.2198 3.9168 3.9168 3.9248 3.9248 4.8983 4.8983 4.9082 4.9082 12.6871 12.6871 12.6923 12.6923 17.2375 17.2375 17.2397 17.2397 k = 0.1778 0.3079 0.4157 ( 2336 PWs) bands (ev): -66.8006 -66.8006 -66.8006 -66.8006 -33.7549 -33.7549 -33.7528 -33.7528 -33.4840 -33.4840 -33.4734 -33.4734 -33.4545 -33.4545 -33.4460 -33.4460 -10.3533 -10.3533 -10.3528 -10.3528 2.2434 2.2434 2.2453 2.2453 3.9462 3.9462 3.9542 3.9542 4.8794 4.8794 4.8892 4.8892 12.6483 12.6483 12.6532 12.6532 17.2753 17.2753 17.2779 17.2779 k = 0.1722 0.2983 0.4157 ( 2340 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7546 -33.7546 -33.7527 -33.7527 -33.4834 -33.4834 -33.4733 -33.4733 -33.4545 -33.4545 -33.4464 -33.4464 -10.3617 -10.3617 -10.3612 -10.3612 2.2707 2.2707 2.2724 2.2724 3.9746 3.9746 3.9826 3.9826 4.8602 4.8602 4.8699 4.8699 12.6100 12.6100 12.6146 12.6146 17.3123 17.3123 17.3154 17.3154 k = 0.1667 0.2887 0.4157 ( 2348 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7544 -33.7544 -33.7526 -33.7526 -33.4827 -33.4827 -33.4732 -33.4732 -33.4544 -33.4544 -33.4468 -33.4468 -10.3701 -10.3701 -10.3697 -10.3697 2.2995 2.2995 2.3011 2.3011 4.0019 4.0019 4.0099 4.0099 4.8408 4.8408 4.8505 4.8505 12.5723 12.5723 12.5767 12.5767 17.3487 17.3487 17.3523 17.3523 k = 0.1611 0.2791 0.4157 ( 2348 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7541 -33.7541 -33.7524 -33.7524 -33.4820 -33.4820 -33.4731 -33.4731 -33.4544 -33.4544 -33.4472 -33.4472 -10.3787 -10.3787 -10.3782 -10.3782 2.3298 2.3298 2.3313 2.3313 4.0283 4.0283 4.0363 4.0363 4.8213 4.8213 4.8308 4.8308 12.5352 12.5352 12.5393 12.5393 17.3848 17.3848 17.3888 17.3888 k = 0.1556 0.2694 0.4157 ( 2360 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7538 -33.7538 -33.7523 -33.7523 -33.4813 -33.4813 -33.4730 -33.4730 -33.4544 -33.4544 -33.4476 -33.4476 -10.3872 -10.3872 -10.3868 -10.3868 2.3615 2.3615 2.3629 2.3629 4.0535 4.0535 4.0615 4.0615 4.8016 4.8016 4.8109 4.8109 12.4986 12.4986 12.5025 12.5025 17.4208 17.4208 17.4251 17.4251 k = 0.1500 0.2598 0.4157 ( 2360 PWs) bands (ev): -66.8007 -66.8007 -66.8007 -66.8007 -33.7535 -33.7535 -33.7521 -33.7521 -33.4805 -33.4805 -33.4728 -33.4728 -33.4544 -33.4544 -33.4480 -33.4480 -10.3958 -10.3958 -10.3954 -10.3954 2.3946 2.3946 2.3959 2.3959 4.0776 4.0776 4.0856 4.0856 4.7817 4.7817 4.7910 4.7910 12.4627 12.4627 12.4663 12.4663 17.4567 17.4567 17.4613 17.4613 k = 0.1444 0.2502 0.4157 ( 2352 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7532 -33.7532 -33.7519 -33.7519 -33.4798 -33.4798 -33.4725 -33.4725 -33.4543 -33.4543 -33.4484 -33.4484 -10.4044 -10.4044 -10.4041 -10.4041 2.4289 2.4289 2.4302 2.4302 4.1006 4.1006 4.1085 4.1085 4.7618 4.7618 4.7709 4.7709 12.4274 12.4274 12.4307 12.4307 17.4930 17.4930 17.4978 17.4978 k = 0.1389 0.2406 0.4157 ( 2348 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7529 -33.7529 -33.7518 -33.7518 -33.4790 -33.4790 -33.4723 -33.4723 -33.4543 -33.4543 -33.4488 -33.4488 -10.4129 -10.4129 -10.4126 -10.4126 2.4644 2.4644 2.4655 2.4655 4.1225 4.1225 4.1303 4.1303 4.7418 4.7418 4.7507 4.7507 12.3927 12.3927 12.3958 12.3958 17.5294 17.5294 17.5344 17.5344 k = 0.1333 0.2309 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7526 -33.7526 -33.7516 -33.7516 -33.4782 -33.4782 -33.4721 -33.4721 -33.4544 -33.4544 -33.4492 -33.4492 -10.4214 -10.4214 -10.4211 -10.4211 2.5008 2.5008 2.5019 2.5019 4.1431 4.1431 4.1509 4.1509 4.7216 4.7216 4.7304 4.7304 12.3585 12.3585 12.3614 12.3614 17.5662 17.5662 17.5714 17.5714 k = 0.1278 0.2213 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7523 -33.7523 -33.7514 -33.7514 -33.4775 -33.4775 -33.4718 -33.4718 -33.4544 -33.4544 -33.4497 -33.4497 -10.4298 -10.4298 -10.4295 -10.4295 2.5381 2.5381 2.5391 2.5391 4.1626 4.1626 4.1703 4.1703 4.7014 4.7014 4.7100 4.7100 12.3250 12.3250 12.3276 12.3276 17.6034 17.6034 17.6087 17.6087 k = 0.1222 0.2117 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7521 -33.7521 -33.7513 -33.7513 -33.4767 -33.4767 -33.4715 -33.4715 -33.4545 -33.4545 -33.4501 -33.4501 -10.4380 -10.4380 -10.4378 -10.4378 2.5762 2.5762 2.5771 2.5771 4.1808 4.1808 4.1884 4.1884 4.6812 4.6812 4.6895 4.6895 12.2922 12.2922 12.2946 12.2946 17.6412 17.6412 17.6466 17.6466 k = 0.1167 0.2021 0.4157 ( 2344 PWs) bands (ev): -66.8008 -66.8008 -66.8008 -66.8008 -33.7518 -33.7518 -33.7511 -33.7511 -33.4760 -33.4760 -33.4712 -33.4712 -33.4546 -33.4546 -33.4506 -33.4506 -10.4462 -10.4462 -10.4460 -10.4460 2.6150 2.6150 2.6158 2.6158 4.1979 4.1979 4.2054 4.2054 4.6609 4.6609 4.6690 4.6690 12.2600 12.2600 12.2622 12.2622 17.6796 17.6796 17.6850 17.6850 k = 0.1111 0.1925 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7515 -33.7515 -33.7509 -33.7509 -33.4752 -33.4752 -33.4709 -33.4709 -33.4547 -33.4547 -33.4511 -33.4511 -10.4541 -10.4541 -10.4539 -10.4539 2.6542 2.6542 2.6549 2.6549 4.2139 4.2139 4.2212 4.2212 4.6406 4.6406 4.6485 4.6485 12.2286 12.2286 12.2305 12.2305 17.7186 17.7186 17.7240 17.7240 k = 0.1056 0.1828 0.4157 ( 2336 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7513 -33.7513 -33.7507 -33.7507 -33.4744 -33.4744 -33.4705 -33.4705 -33.4549 -33.4549 -33.4515 -33.4515 -10.4618 -10.4618 -10.4617 -10.4617 2.6937 2.6937 2.6944 2.6944 4.2287 4.2287 4.2358 4.2358 4.6204 4.6204 4.6280 4.6280 12.1980 12.1980 12.1996 12.1996 17.7581 17.7581 17.7634 17.7634 k = 0.1000 0.1732 0.4157 ( 2336 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7510 -33.7510 -33.7506 -33.7506 -33.4737 -33.4737 -33.4702 -33.4702 -33.4550 -33.4550 -33.4520 -33.4520 -10.4693 -10.4693 -10.4692 -10.4692 2.7335 2.7335 2.7341 2.7341 4.2423 4.2423 4.2493 4.2493 4.6001 4.6001 4.6075 4.6075 12.1682 12.1682 12.1696 12.1696 17.7980 17.7980 17.8033 17.8033 k = 0.0944 0.1636 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7508 -33.7508 -33.7504 -33.7504 -33.4729 -33.4729 -33.4698 -33.4698 -33.4552 -33.4552 -33.4525 -33.4525 -10.4766 -10.4766 -10.4765 -10.4765 2.7731 2.7731 2.7737 2.7737 4.2549 4.2549 4.2617 4.2617 4.5800 4.5800 4.5870 4.5870 12.1392 12.1392 12.1405 12.1405 17.8381 17.8381 17.8433 17.8433 k = 0.0889 0.1540 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7506 -33.7506 -33.7503 -33.7503 -33.4722 -33.4722 -33.4694 -33.4694 -33.4554 -33.4554 -33.4530 -33.4530 -10.4836 -10.4836 -10.4835 -10.4835 2.8126 2.8126 2.8131 2.8131 4.2664 4.2664 4.2729 4.2729 4.5600 4.5600 4.5667 4.5667 12.1113 12.1113 12.1124 12.1124 17.8784 17.8784 17.8835 17.8835 k = 0.0833 0.1443 0.4157 ( 2340 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7504 -33.7504 -33.7501 -33.7501 -33.4714 -33.4714 -33.4690 -33.4690 -33.4556 -33.4556 -33.4535 -33.4535 -10.4903 -10.4903 -10.4902 -10.4902 2.8517 2.8517 2.8522 2.8522 4.2769 4.2769 4.2832 4.2832 4.5401 4.5401 4.5466 4.5466 12.0844 12.0844 12.0853 12.0853 17.9187 17.9187 17.9236 17.9236 k = 0.0778 0.1347 0.4157 ( 2344 PWs) bands (ev): -66.8009 -66.8009 -66.8009 -66.8009 -33.7502 -33.7502 -33.7500 -33.7500 -33.4707 -33.4707 -33.4686 -33.4686 -33.4559 -33.4559 -33.4540 -33.4540 -10.4966 -10.4966 -10.4966 -10.4966 2.8902 2.8902 2.8906 2.8906 4.2865 4.2865 4.2924 4.2924 4.5206 4.5206 4.5267 4.5267 12.0587 12.0587 12.0594 12.0594 17.9587 17.9587 17.9634 17.9634 k = 0.0722 0.1251 0.4157 ( 2344 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7500 -33.7500 -33.7498 -33.7498 -33.4700 -33.4700 -33.4682 -33.4682 -33.4561 -33.4561 -33.4545 -33.4545 -10.5027 -10.5027 -10.5026 -10.5026 2.9279 2.9279 2.9282 2.9282 4.2951 4.2951 4.3007 4.3007 4.5013 4.5013 4.5070 4.5070 12.0342 12.0342 12.0348 12.0348 17.9982 17.9982 18.0027 18.0027 k = 0.0667 0.1155 0.4157 ( 2338 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7498 -33.7498 -33.7497 -33.7497 -33.4693 -33.4693 -33.4677 -33.4677 -33.4564 -33.4564 -33.4550 -33.4550 -10.5083 -10.5083 -10.5083 -10.5083 2.9646 2.9646 2.9648 2.9648 4.3028 4.3028 4.3081 4.3081 4.4825 4.4825 4.4879 4.4879 12.0110 12.0110 12.0115 12.0115 18.0370 18.0370 18.0412 18.0412 k = 0.0611 0.1058 0.4157 ( 2340 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7497 -33.7497 -33.7496 -33.7496 -33.4686 -33.4686 -33.4673 -33.4673 -33.4567 -33.4567 -33.4556 -33.4556 -10.5136 -10.5136 -10.5136 -10.5136 2.9999 2.9999 3.0001 3.0001 4.3097 4.3097 4.3147 4.3147 4.4642 4.4642 4.4692 4.4692 11.9892 11.9892 11.9896 11.9896 18.0745 18.0745 18.0785 18.0785 k = 0.0556 0.0962 0.4157 ( 2340 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7495 -33.7495 -33.7495 -33.7495 -33.4679 -33.4679 -33.4668 -33.4668 -33.4570 -33.4570 -33.4561 -33.4561 -10.5185 -10.5185 -10.5185 -10.5185 3.0336 3.0336 3.0338 3.0338 4.3158 4.3158 4.3204 4.3204 4.4466 4.4466 4.4512 4.4512 11.9690 11.9690 11.9693 11.9693 18.1105 18.1105 18.1142 18.1142 k = 0.0500 0.0866 0.4157 ( 2336 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7494 -33.7494 -33.7493 -33.7493 -33.4672 -33.4672 -33.4664 -33.4664 -33.4574 -33.4574 -33.4566 -33.4566 -10.5230 -10.5230 -10.5230 -10.5229 3.0655 3.0655 3.0656 3.0656 4.3211 4.3211 4.3252 4.3253 4.4299 4.4299 4.4340 4.4340 11.9503 11.9503 11.9505 11.9505 18.1448 18.1448 18.1481 18.1481 k = 0.0444 0.0770 0.4157 ( 2336 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7493 -33.7493 -33.7492 -33.7492 -33.4665 -33.4665 -33.4659 -33.4659 -33.4577 -33.4577 -33.4571 -33.4571 -10.5270 -10.5270 -10.5270 -10.5270 3.0952 3.0952 3.0953 3.0953 4.3257 4.3257 4.3294 4.3294 4.4142 4.4142 4.4179 4.4179 11.9333 11.9333 11.9335 11.9335 18.1767 18.1767 18.1798 18.1798 k = 0.0389 0.0674 0.4157 ( 2334 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7492 -33.7492 -33.7492 -33.7492 -33.4659 -33.4659 -33.4654 -33.4654 -33.4581 -33.4581 -33.4577 -33.4577 -10.5306 -10.5306 -10.5306 -10.5306 3.1224 3.1224 3.1225 3.1225 4.3295 4.3295 4.3327 4.3327 4.3998 4.3998 4.4030 4.4030 11.9181 11.9181 11.9182 11.9182 18.2061 18.2061 18.2088 18.2088 k = 0.0333 0.0577 0.4157 ( 2330 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7491 -33.7491 -33.7491 -33.7491 -33.4652 -33.4652 -33.4649 -33.4649 -33.4585 -33.4585 -33.4582 -33.4582 -10.5337 -10.5337 -10.5337 -10.5337 3.1469 3.1469 3.1469 3.1469 4.3326 4.3326 4.3352 4.3352 4.3869 4.3870 4.3896 4.3896 11.9048 11.9048 11.9049 11.9049 18.2324 18.2324 18.2348 18.2348 k = 0.0278 0.0481 0.4157 ( 2334 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7490 -33.7490 -33.7490 -33.7490 -33.4646 -33.4646 -33.4644 -33.4644 -33.4589 -33.4589 -33.4587 -33.4587 -10.5364 -10.5364 -10.5364 -10.5364 3.1682 3.1682 3.1682 3.1682 4.3348 4.3348 4.3369 4.3369 4.3760 4.3760 4.3781 4.3781 11.8934 11.8934 11.8934 11.8934 18.2553 18.2553 18.2573 18.2573 k = 0.0222 0.0385 0.4157 ( 2336 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7490 -33.7490 -33.7490 -33.7490 -33.4641 -33.4641 -33.4640 -33.4640 -33.4593 -33.4593 -33.4592 -33.4592 -10.5386 -10.5386 -10.5386 -10.5386 3.1862 3.1862 3.1862 3.1862 4.3360 4.3360 4.3375 4.3375 4.3674 4.3674 4.3688 4.3688 11.8839 11.8839 11.8839 11.8839 18.2744 18.2744 18.2759 18.2759 k = 0.0167 0.0289 0.4157 ( 2334 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4635 -33.4635 -33.4635 -33.4635 -33.4597 -33.4597 -33.4597 -33.4597 -10.5404 -10.5404 -10.5404 -10.5404 3.2005 3.2005 3.2005 3.2005 4.3363 4.3363 4.3370 4.3370 4.3614 4.3614 4.3621 4.3621 11.8765 11.8765 11.8765 11.8765 18.2890 18.2890 18.2901 18.2902 k = 0.0111 0.0192 0.4157 ( 2340 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4631 -33.4631 -33.4631 -33.4631 -33.4601 -33.4601 -33.4601 -33.4601 -10.5416 -10.5416 -10.5416 -10.5416 3.2109 3.2109 3.2109 3.2109 4.3355 4.3355 4.3357 4.3357 4.3577 4.3577 4.3580 4.3580 11.8712 11.8712 11.8712 11.8712 18.2984 18.2984 18.2989 18.2989 k = 0.0056 0.0096 0.4157 ( 2348 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4628 -33.4628 -33.4628 -33.4628 -33.4605 -33.4605 -33.4605 -33.4605 -10.5424 -10.5424 -10.5424 -10.5424 3.2171 3.2171 3.2171 3.2171 4.3344 4.3344 4.3345 4.3345 4.3560 4.3560 4.3560 4.3560 11.8680 11.8680 11.8680 11.8680 18.3023 18.3023 18.3024 18.3024 k = 0.0000 0.0000 0.4157 ( 2348 PWs) bands (ev): -66.8010 -66.8010 -66.8010 -66.8010 -33.7489 -33.7489 -33.7489 -33.7489 -33.4626 -33.4626 -33.4626 -33.4626 -33.4606 -33.4606 -33.4606 -33.4606 -10.5426 -10.5426 -10.5426 -10.5426 3.2193 3.2193 3.2193 3.2193 4.3340 4.3340 4.3340 4.3340 4.3555 4.3555 4.3555 4.3555 11.8669 11.8669 11.8669 11.8669 18.3031 18.3031 18.3031 18.3031 k = 0.5000 0.2887 0.4157 ( 2356 PWs) bands (ev): -66.8005 -66.8005 -66.8005 -66.8005 -33.7563 -33.7563 -33.7563 -33.7563 -33.4840 -33.4840 -33.4840 -33.4840 -33.4477 -33.4477 -33.4477 -33.4477 -10.2623 -10.2623 -10.2623 -10.2623 1.8290 1.8290 1.8290 1.8290 4.1012 4.1012 4.1012 4.1012 4.7991 4.7991 4.7991 4.7991 12.7959 12.7959 12.7959 12.7959 17.1838 17.1838 17.1838 17.1838 k = 0.5000 0.2887 0.4048 ( 2366 PWs) bands (ev): -66.8006 -66.8006 -66.8004 -66.8004 -33.7566 -33.7566 -33.7561 -33.7561 -33.4843 -33.4843 -33.4838 -33.4838 -33.4481 -33.4481 -33.4473 -33.4473 -10.2712 -10.2712 -10.2537 -10.2537 1.8078 1.8078 1.8525 1.8525 4.0661 4.0661 4.1365 4.1365 4.7629 4.7629 4.8332 4.8332 12.7826 12.7826 12.8100 12.8100 17.1156 17.1156 17.2530 17.2530 k = 0.5000 0.2887 0.3939 ( 2370 PWs) bands (ev): -66.8006 -66.8006 -66.8003 -66.8003 -33.7568 -33.7568 -33.7559 -33.7559 -33.4846 -33.4846 -33.4835 -33.4835 -33.4485 -33.4485 -33.4470 -33.4470 -10.2803 -10.2803 -10.2453 -10.2453 1.7890 1.7890 1.8783 1.8783 4.0315 4.0315 4.1721 4.1721 4.7250 4.7250 4.8653 4.8653 12.7701 12.7701 12.8251 12.8251 17.0487 17.0487 17.3232 17.3232 k = 0.5000 0.2887 0.3829 ( 2368 PWs) bands (ev): -66.8007 -66.8007 -66.8003 -66.8003 -33.7570 -33.7570 -33.7556 -33.7556 -33.4847 -33.4847 -33.4832 -33.4832 -33.4489 -33.4489 -33.4467 -33.4467 -10.2895 -10.2895 -10.2372 -10.2372 1.7726 1.7726 1.9065 1.9065 3.9972 3.9972 4.2079 4.2079 4.6853 4.6853 4.8952 4.8952 12.7582 12.7582 12.8413 12.8413 16.9832 16.9832 17.3941 17.3941 k = 0.5000 0.2887 0.3720 ( 2372 PWs) bands (ev): -66.8008 -66.8008 -66.8002 -66.8002 -33.7572 -33.7572 -33.7554 -33.7554 -33.4849 -33.4849 -33.4829 -33.4829 -33.4494 -33.4494 -33.4464 -33.4464 -10.2989 -10.2989 -10.2293 -10.2293 1.7586 1.7586 1.9370 1.9370 3.9635 3.9635 4.2439 4.2439 4.6442 4.6442 4.9227 4.9227 12.7468 12.7468 12.8587 12.8587 16.9190 16.9190 17.4653 17.4653 k = 0.5000 0.2887 0.3610 ( 2370 PWs) bands (ev): -66.8008 -66.8008 -66.8001 -66.8001 -33.7574 -33.7574 -33.7551 -33.7551 -33.4851 -33.4851 -33.4825 -33.4825 -33.4498 -33.4498 -33.4462 -33.4462 -10.3085 -10.3085 -10.2217 -10.2217 1.7469 1.7469 1.9699 1.9699 3.9303 3.9303 4.2799 4.2799 4.6016 4.6016 4.9478 4.9478 12.7359 12.7359 12.8776 12.8776 16.8563 16.8563 17.5366 17.5366 k = 0.5000 0.2887 0.3501 ( 2366 PWs) bands (ev): -66.8009 -66.8009 -66.8000 -66.8000 -33.7576 -33.7576 -33.7548 -33.7548 -33.4852 -33.4852 -33.4821 -33.4821 -33.4503 -33.4503 -33.4460 -33.4460 -10.3182 -10.3182 -10.2144 -10.2144 1.7376 1.7376 2.0049 2.0049 3.8976 3.8976 4.3160 4.3160 4.5578 4.5578 4.9702 4.9702 12.7253 12.7253 12.8979 12.8979 16.7951 16.7952 17.6074 17.6074 k = 0.5000 0.2887 0.3392 ( 2366 PWs) bands (ev): -66.8010 -66.8010 -66.8000 -66.8000 -33.7578 -33.7578 -33.7546 -33.7546 -33.4853 -33.4853 -33.4817 -33.4817 -33.4509 -33.4509 -33.4458 -33.4458 -10.3280 -10.3280 -10.2074 -10.2074 1.7305 1.7305 2.0423 2.0423 3.8655 3.8655 4.3520 4.3520 4.5129 4.5129 4.9899 4.9899 12.7150 12.7150 12.9199 12.9199 16.7354 16.7354 17.6769 17.6769 k = 0.5000 0.2887 0.3282 ( 2362 PWs) bands (ev): -66.8010 -66.8010 -66.7999 -66.7999 -33.7580 -33.7580 -33.7543 -33.7543 -33.4853 -33.4853 -33.4813 -33.4813 -33.4514 -33.4514 -33.4456 -33.4456 -10.3379 -10.3379 -10.2008 -10.2008 1.7258 1.7258 2.0818 2.0818 3.8341 3.8341 4.3878 4.3878 4.4671 4.4671 5.0067 5.0067 12.7050 12.7050 12.9437 12.9437 16.6772 16.6772 17.7443 17.7443 k = 0.5000 0.2887 0.3173 ( 2358 PWs) bands (ev): -66.8011 -66.8011 -66.7998 -66.7998 -33.7581 -33.7581 -33.7540 -33.7540 -33.4853 -33.4853 -33.4809 -33.4809 -33.4519 -33.4519 -33.4454 -33.4454 -10.3478 -10.3478 -10.1944 -10.1944 1.7233 1.7233 2.1234 2.1234 3.8034 3.8034 4.4167 4.4167 4.4270 4.4270 5.0206 5.0206 12.6951 12.6951 12.9694 12.9694 16.6204 16.6204 17.8083 17.8083 k = 0.5000 0.2887 0.3063 ( 2354 PWs) bands (ev): -66.8012 -66.8012 -66.7998 -66.7998 -33.7583 -33.7583 -33.7537 -33.7537 -33.4853 -33.4853 -33.4805 -33.4805 -33.4525 -33.4525 -33.4453 -33.4453 -10.3578 -10.3578 -10.1883 -10.1883 1.7230 1.7230 2.1671 2.1671 3.7734 3.7734 4.3720 4.3720 4.4595 4.4595 5.0314 5.0314 12.6854 12.6854 12.9971 12.9971 16.5651 16.5651 17.8673 17.8673 k = 0.5000 0.2887 0.2954 ( 2354 PWs) bands (ev): -66.8012 -66.8012 -66.7997 -66.7997 -33.7584 -33.7584 -33.7534 -33.7534 -33.4853 -33.4853 -33.4800 -33.4800 -33.4531 -33.4531 -33.4452 -33.4452 -10.3677 -10.3677 -10.1826 -10.1826 1.7248 1.7248 2.2128 2.2128 3.7442 3.7442 4.3238 4.3238 4.4946 4.4946 5.0391 5.0391 12.6757 12.6757 13.0270 13.0270 16.5110 16.5110 17.9189 17.9189 k = 0.5000 0.2887 0.2845 ( 2350 PWs) bands (ev): -66.8013 -66.8013 -66.7996 -66.7996 -33.7585 -33.7585 -33.7531 -33.7531 -33.4852 -33.4852 -33.4795 -33.4795 -33.4537 -33.4537 -33.4451 -33.4451 -10.3776 -10.3776 -10.1771 -10.1771 1.7287 1.7287 2.2605 2.2605 3.7158 3.7158 4.2750 4.2750 4.5294 4.5294 5.0436 5.0436 12.6661 12.6661 13.0592 13.0592 16.4582 16.4582 17.9607 17.9607 k = 0.5000 0.2887 0.2735 ( 2346 PWs) bands (ev): -66.8014 -66.8014 -66.7996 -66.7996 -33.7586 -33.7586 -33.7528 -33.7528 -33.4851 -33.4851 -33.4791 -33.4791 -33.4544 -33.4544 -33.4450 -33.4450 -10.3874 -10.3874 -10.1720 -10.1720 1.7347 1.7347 2.3101 2.3101 3.6881 3.6881 4.2258 4.2258 4.5637 4.5637 5.0448 5.0448 12.6565 12.6565 13.0936 13.0936 16.4066 16.4066 17.9898 17.9898 k = 0.5000 0.2887 0.2626 ( 2346 PWs) bands (ev): -66.8014 -66.8014 -66.7995 -66.7995 -33.7588 -33.7588 -33.7525 -33.7525 -33.4850 -33.4850 -33.4786 -33.4786 -33.4550 -33.4550 -33.4450 -33.4450 -10.3972 -10.3972 -10.1672 -10.1672 1.7426 1.7426 2.3615 2.3615 3.6613 3.6613 4.1762 4.1762 4.5975 4.5975 5.0426 5.0426 12.6470 12.6470 13.1306 13.1306 16.3560 16.3560 18.0040 18.0040 k = 0.5000 0.2887 0.2516 ( 2350 PWs) bands (ev): -66.8015 -66.8015 -66.7995 -66.7995 -33.7589 -33.7589 -33.7523 -33.7523 -33.4849 -33.4849 -33.4781 -33.4781 -33.4557 -33.4557 -33.4450 -33.4450 -10.4068 -10.4068 -10.1626 -10.1626 1.7524 1.7524 2.4146 2.4146 3.6354 3.6354 4.1264 4.1264 4.6307 4.6307 5.0371 5.0371 12.6376 12.6376 13.1700 13.1700 16.3064 16.3064 18.0026 18.0026 k = 0.5000 0.2887 0.2407 ( 2350 PWs) bands (ev): -66.8015 -66.8015 -66.7994 -66.7994 -33.7590 -33.7590 -33.7520 -33.7520 -33.4847 -33.4847 -33.4776 -33.4776 -33.4564 -33.4564 -33.4450 -33.4450 -10.4163 -10.4163 -10.1584 -10.1584 1.7639 1.7639 2.4694 2.4694 3.6105 3.6105 4.0765 4.0765 4.6633 4.6633 5.0283 5.0283 12.6281 12.6281 13.2119 13.2119 16.2576 16.2576 17.9871 17.9871 k = 0.5000 0.2887 0.2298 ( 2346 PWs) bands (ev): -66.8016 -66.8016 -66.7993 -66.7993 -33.7591 -33.7591 -33.7517 -33.7517 -33.4845 -33.4845 -33.4771 -33.4771 -33.4570 -33.4570 -33.4451 -33.4451 -10.4255 -10.4255 -10.1544 -10.1544 1.7772 1.7772 2.5257 2.5257 3.5865 3.5865 4.0267 4.0267 4.6950 4.6950 5.0161 5.0161 12.6187 12.6187 13.2564 13.2564 16.2094 16.2094 17.9601 17.9601 k = 0.5000 0.2887 0.2188 ( 2350 PWs) bands (ev): -66.8017 -66.8017 -66.7993 -66.7993 -33.7592 -33.7592 -33.7515 -33.7515 -33.4843 -33.4843 -33.4766 -33.4766 -33.4577 -33.4577 -33.4451 -33.4451 -10.4346 -10.4346 -10.1508 -10.1508 1.7921 1.7921 2.5834 2.5834 3.5633 3.5633 3.9771 3.9771 4.7259 4.7259 5.0005 5.0005 12.6094 12.6094 13.3034 13.3034 16.1619 16.1619 17.9247 17.9247 k = 0.5000 0.2887 0.2079 ( 2354 PWs) bands (ev): -66.8017 -66.8017 -66.7993 -66.7993 -33.7593 -33.7593 -33.7512 -33.7512 -33.4841 -33.4841 -33.4762 -33.4762 -33.4584 -33.4584 -33.4452 -33.4452 -10.4435 -10.4435 -10.1474 -10.1474 1.8085 1.8085 2.6425 2.6425 3.5412 3.5412 3.9277 3.9277 4.7560 4.7560 4.9817 4.9817 12.6002 12.6002 13.3529 13.3529 16.1147 16.1147 17.8837 17.8837 k = 0.5000 0.2887 0.1969 ( 2352 PWs) bands (ev): -66.8018 -66.8018 -66.7992 -66.7992 -33.7593 -33.7593 -33.7510 -33.7510 -33.4838 -33.4838 -33.4757 -33.4757 -33.4591 -33.4591 -33.4453 -33.4453 -10.4520 -10.4520 -10.1443 -10.1443 1.8263 1.8263 2.7028 2.7028 3.5201 3.5201 3.8787 3.8787 4.7849 4.7849 4.9598 4.9598 12.5912 12.5912 13.4048 13.4048 16.0678 16.0678 17.8395 17.8395 k = 0.5000 0.2887 0.1860 ( 2348 PWs) bands (ev): -66.8018 -66.8018 -66.7992 -66.7992 -33.7594 -33.7594 -33.7507 -33.7507 -33.4835 -33.4835 -33.4752 -33.4752 -33.4598 -33.4598 -33.4454 -33.4454 -10.4603 -10.4603 -10.1414 -10.1414 1.8453 1.8453 2.7642 2.7642 3.5000 3.5000 3.8303 3.8303 4.8127 4.8127 4.9349 4.9349 12.5822 12.5822 13.4591 13.4591 16.0210 16.0210 17.7938 17.7938 k = 0.5000 0.2887 0.1750 ( 2334 PWs) bands (ev): -66.8018 -66.8018 -66.7991 -66.7991 -33.7594 -33.7594 -33.7504 -33.7504 -33.4831 -33.4831 -33.4747 -33.4747 -33.4605 -33.4605 -33.4455 -33.4455 -10.4683 -10.4683 -10.1387 -10.1387 1.8655 1.8655 2.8266 2.8266 3.4811 3.4811 3.7826 3.7826 4.8390 4.8390 4.9073 4.9073 12.5735 12.5735 13.5157 13.5157 15.9743 15.9743 17.7479 17.7479 k = 0.5000 0.2887 0.1641 ( 2334 PWs) bands (ev): -66.8019 -66.8019 -66.7991 -66.7991 -33.7595 -33.7595 -33.7502 -33.7502 -33.4828 -33.4828 -33.4742 -33.4742 -33.4612 -33.4612 -33.4456 -33.4456 -10.4759 -10.4759 -10.1363 -10.1363 1.8865 1.8865 2.8896 2.8896 3.4632 3.4632 3.7357 3.7357 4.8598 4.8598 4.8809 4.8809 12.5650 12.5650 13.5741 13.5741 15.9273 15.9273 17.7026 17.7026 k = 0.5000 0.2887 0.1532 ( 2334 PWs) bands (ev): -66.8019 -66.8019 -66.7990 -66.7990 -33.7595 -33.7595 -33.7500 -33.7500 -33.4824 -33.4824 -33.4738 -33.4738 -33.4619 -33.4619 -33.4457 -33.4457 -10.4831 -10.4831 -10.1341 -10.1341 1.9082 1.9082 2.9533 2.9533 3.4463 3.4463 3.6898 3.6898 4.8391 4.8391 4.8921 4.8921 12.5568 12.5568 13.6345 13.6345 15.8801 15.8801 17.6586 17.6586 k = 0.5000 0.2887 0.1422 ( 2330 PWs) bands (ev): -66.8020 -66.8020 -66.7990 -66.7990 -33.7595 -33.7595 -33.7498 -33.7498 -33.4820 -33.4820 -33.4733 -33.4733 -33.4626 -33.4626 -33.4459 -33.4459 -10.4900 -10.4900 -10.1321 -10.1321 1.9306 1.9306 3.0174 3.0174 3.4306 3.4306 3.6453 3.6453 4.8037 4.8037 4.9142 4.9142 12.5489 12.5489 13.6964 13.6964 15.8325 15.8325 17.6165 17.6165 k = 0.5000 0.2887 0.1313 ( 2330 PWs) bands (ev): -66.8020 -66.8020 -66.7989 -66.7989 -33.7596 -33.7596 -33.7496 -33.7496 -33.4816 -33.4816 -33.4729 -33.4729 -33.4633 -33.4633 -33.4460 -33.4460 -10.4964 -10.4964 -10.1303 -10.1303 1.9532 1.9532 3.0817 3.0817 3.4159 3.4159 3.6021 3.6021 4.7652 4.7652 4.9355 4.9356 12.5414 12.5414 13.7595 13.7595 15.7846 15.7846 17.5766 17.5766 k = 0.5000 0.2887 0.1203 ( 2340 PWs) bands (ev): -66.8020 -66.8020 -66.7989 -66.7989 -33.7596 -33.7596 -33.7494 -33.7494 -33.4812 -33.4812 -33.4726 -33.4726 -33.4640 -33.4640 -33.4462 -33.4462 -10.5025 -10.5025 -10.1288 -10.1288 1.9759 1.9759 3.1458 3.1458 3.4023 3.4023 3.5605 3.5605 4.7246 4.7246 4.9555 4.9555 12.5342 12.5342 13.8234 13.8234 15.7363 15.7363 17.5392 17.5392 k = 0.5000 0.2887 0.1094 ( 2348 PWs) bands (ev): -66.8021 -66.8021 -66.7989 -66.7989 -33.7597 -33.7597 -33.7493 -33.7493 -33.4808 -33.4808 -33.4723 -33.4723 -33.4647 -33.4647 -33.4464 -33.4464 -10.5080 -10.5080 -10.1273 -10.1273 1.9984 1.9984 3.2094 3.2094 3.3899 3.3899 3.5209 3.5209 4.6821 4.6821 4.9740 4.9740 12.5275 12.5275 13.8876 13.8876 15.6878 15.6878 17.5045 17.5045 k = 0.5000 0.2887 0.0985 ( 2344 PWs) bands (ev): -66.8021 -66.8021 -66.7989 -66.7989 -33.7597 -33.7597 -33.7491 -33.7491 -33.4803 -33.4803 -33.4720 -33.4720 -33.4653 -33.4653 -33.4465 -33.4465 -10.5131 -10.5131 -10.1261 -10.1261 2.0204 2.0204 3.2722 3.2722 3.3788 3.3788 3.4836 3.4836 4.6383 4.6383 4.9910 4.9910 12.5212 12.5212 13.9517 13.9517 15.6393 15.6393 17.4728 17.4728 k = 0.5000 0.2887 0.0875 ( 2346 PWs) bands (ev): -66.8021 -66.8021 -66.7988 -66.7988 -33.7597 -33.7597 -33.7490 -33.7490 -33.4799 -33.4799 -33.4717 -33.4717 -33.4659 -33.4659 -33.4467 -33.4467 -10.5177 -10.5177 -10.1250 -10.1250 2.0416 2.0416 3.3328 3.3328 3.3696 3.3696 3.4489 3.4489 4.5937 4.5937 5.0063 5.0063 12.5156 12.5156 14.0149 14.0149 15.5911 15.5911 17.4441 17.4441 k = 0.5000 0.2887 0.0766 ( 2348 PWs) bands (ev): -66.8021 -66.8021 -66.7988 -66.7988 -33.7597 -33.7597 -33.7489 -33.7489 -33.4794 -33.4794 -33.4715 -33.4715 -33.4664 -33.4664 -33.4468 -33.4468 -10.5218 -10.5218 -10.1240 -10.1240 2.0617 2.0617 3.3576 3.3576 3.3937 3.3937 3.4189 3.4189 4.5488 4.5488 5.0200 5.0200 12.5105 12.5105 14.0762 14.0762 15.5439 15.5439 17.4186 17.4186 k = 0.5000 0.2887 0.0656 ( 2348 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7597 -33.7597 -33.7488 -33.7488 -33.4790 -33.4790 -33.4714 -33.4714 -33.4669 -33.4669 -33.4469 -33.4469 -10.5253 -10.5253 -10.1232 -10.1232 2.0802 2.0802 3.3504 3.3504 3.3868 3.3868 3.4535 3.4535 4.5045 4.5045 5.0319 5.0319 12.5060 12.5060 14.1347 14.1347 15.4983 15.4983 17.3963 17.3963 k = 0.5000 0.2887 0.0547 ( 2348 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7598 -33.7598 -33.7487 -33.7487 -33.4785 -33.4785 -33.4713 -33.4713 -33.4673 -33.4673 -33.4470 -33.4470 -10.5284 -10.5284 -10.1226 -10.1226 2.0967 2.0967 3.3430 3.3430 3.3629 3.3629 3.5065 3.5065 4.4618 4.4618 5.0421 5.0421 12.5021 12.5021 14.1889 14.1889 15.4554 15.4554 17.3774 17.3774 k = 0.5000 0.2887 0.0438 ( 2348 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7598 -33.7598 -33.7486 -33.7486 -33.4781 -33.4781 -33.4714 -33.4714 -33.4676 -33.4676 -33.4471 -33.4471 -10.5309 -10.5309 -10.1220 -10.1220 2.1110 2.1110 3.3337 3.3337 3.3456 3.3456 3.5548 3.5548 4.4223 4.4223 5.0504 5.0504 12.4989 12.4989 14.2374 14.2374 15.4165 15.4165 17.3618 17.3618 k = 0.5000 0.2887 0.0328 ( 2348 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7598 -33.7598 -33.7485 -33.7485 -33.4778 -33.4778 -33.4715 -33.4715 -33.4678 -33.4678 -33.4472 -33.4472 -10.5328 -10.5328 -10.1216 -10.1216 2.1225 2.1225 3.3202 3.3202 3.3379 3.3379 3.5963 3.5963 4.3876 4.3876 5.0570 5.0570 12.4964 12.4964 14.2782 14.2782 15.3834 15.3834 17.3497 17.3497 k = 0.5000 0.2887 0.0219 ( 2344 PWs) bands (ev): -66.8022 -66.8022 -66.7988 -66.7988 -33.7598 -33.7598 -33.7485 -33.7485 -33.4775 -33.4775 -33.4715 -33.4715 -33.4679 -33.4679 -33.4473 -33.4473 -10.5342 -10.5342 -10.1213 -10.1213 2.1310 2.1310 3.3086 3.3086 3.3341 3.3341 3.6287 3.6287 4.3601 4.3601 5.0616 5.0616 12.4946 12.4946 14.3094 14.3094 15.3578 15.3578 17.3410 17.3410 k = 0.5000 0.2887 0.0109 ( 2344 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7598 -33.7598 -33.7485 -33.7485 -33.4773 -33.4773 -33.4716 -33.4716 -33.4680 -33.4680 -33.4473 -33.4473 -10.5351 -10.5351 -10.1212 -10.1212 2.1362 2.1362 3.3013 3.3013 3.3320 3.3320 3.6495 3.6495 4.3423 4.3423 5.0645 5.0645 12.4935 12.4935 14.3291 14.3291 15.3415 15.3415 17.3358 17.3358 k = 0.5000 0.2887-0.0000 ( 2330 PWs) bands (ev): -66.8022 -66.8022 -66.7987 -66.7987 -33.7597 -33.7597 -33.7484 -33.7484 -33.4772 -33.4772 -33.4716 -33.4716 -33.4680 -33.4680 -33.4473 -33.4473 -10.5354 -10.5354 -10.1211 -10.1211 2.1380 2.1380 3.2990 3.2990 3.3313 3.3313 3.6567 3.6567 4.3362 4.3362 5.0655 5.0655 12.4932 12.4932 14.3358 14.3358 15.3360 15.3360 17.3340 17.3340 k = 0.3333 0.5774-0.0000 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7560 -33.7560 -33.7536 -33.7536 -33.4762 -33.4762 -33.4750 -33.4750 -33.4622 -33.4622 -33.4538 -33.4538 -10.3005 -10.3005 -10.2989 -10.2989 2.0935 2.0935 3.4390 3.4390 3.4560 3.4560 3.8367 3.8367 3.8372 3.8372 4.7121 4.7121 12.7951 12.7951 14.5574 14.5574 16.0371 16.0371 16.0490 16.0490 k = 0.3333 0.5774 0.0109 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7560 -33.7560 -33.7536 -33.7536 -33.4765 -33.4765 -33.4748 -33.4748 -33.4622 -33.4622 -33.4537 -33.4537 -10.3003 -10.3003 -10.2988 -10.2988 2.0943 2.0943 3.4292 3.4292 3.4456 3.4456 3.8470 3.8470 3.8470 3.8470 4.7106 4.7106 12.7958 12.7958 14.5566 14.5566 16.0374 16.0374 16.0493 16.0493 k = 0.3333 0.5774 0.0219 ( 2349 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7560 -33.7560 -33.7536 -33.7536 -33.4771 -33.4771 -33.4743 -33.4743 -33.4622 -33.4622 -33.4536 -33.4536 -10.3000 -10.2999 -10.2984 -10.2984 2.0969 2.0969 3.4021 3.4021 3.4175 3.4175 3.8742 3.8742 3.8753 3.8753 4.7058 4.7058 12.7978 12.7978 14.5544 14.5544 16.0384 16.0384 16.0502 16.0502 k = 0.3333 0.5774 0.0328 ( 2349 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7560 -33.7560 -33.7536 -33.7536 -33.4777 -33.4777 -33.4738 -33.4738 -33.4622 -33.4622 -33.4535 -33.4535 -10.2993 -10.2993 -10.2978 -10.2978 2.1011 2.1011 3.3630 3.3630 3.3772 3.3772 3.9135 3.9135 3.9158 3.9158 4.6979 4.6979 12.8011 12.8011 14.5507 14.5507 16.0401 16.0401 16.0518 16.0518 k = 0.3333 0.5774 0.0438 ( 2349 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7561 -33.7561 -33.7536 -33.7536 -33.4784 -33.4784 -33.4733 -33.4733 -33.4621 -33.4621 -33.4533 -33.4533 -10.2985 -10.2985 -10.2970 -10.2970 2.1069 2.1069 3.3164 3.3164 3.3296 3.3296 3.9603 3.9603 3.9636 3.9636 4.6869 4.6869 12.8057 12.8057 14.5455 14.5455 16.0423 16.0423 16.0540 16.0540 k = 0.3333 0.5774 0.0547 ( 2349 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7561 -33.7561 -33.7536 -33.7536 -33.4791 -33.4791 -33.4728 -33.4728 -33.4621 -33.4621 -33.4531 -33.4531 -10.2974 -10.2974 -10.2959 -10.2959 2.1144 2.1144 3.2655 3.2655 3.2778 3.2778 4.0116 4.0116 4.0158 4.0158 4.6729 4.6729 12.8117 12.8117 14.5388 14.5388 16.0452 16.0452 16.0568 16.0568 k = 0.3333 0.5774 0.0656 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7562 -33.7562 -33.7536 -33.7536 -33.4798 -33.4798 -33.4724 -33.4724 -33.4621 -33.4621 -33.4528 -33.4528 -10.2962 -10.2962 -10.2946 -10.2946 2.1236 2.1236 3.2120 3.2120 3.2236 3.2236 4.0654 4.0654 4.0703 4.0703 4.6559 4.6559 12.8190 12.8190 14.5306 14.5306 16.0486 16.0486 16.0602 16.0602 k = 0.3333 0.5774 0.0766 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7563 -33.7563 -33.7536 -33.7536 -33.4805 -33.4805 -33.4720 -33.4720 -33.4620 -33.4620 -33.4525 -33.4525 -10.2947 -10.2947 -10.2931 -10.2931 2.1345 2.1345 3.1571 3.1571 3.1682 3.1682 4.1208 4.1208 4.1262 4.1262 4.6359 4.6359 12.8276 12.8276 14.5209 14.5209 16.0525 16.0525 16.0641 16.0641 k = 0.3333 0.5774 0.0875 ( 2334 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7563 -33.7563 -33.7536 -33.7536 -33.4812 -33.4812 -33.4717 -33.4716 -33.4619 -33.4619 -33.4521 -33.4520 -10.2929 -10.2929 -10.2914 -10.2914 2.1470 2.1470 3.1016 3.1016 3.1122 3.1122 4.1768 4.1768 4.1827 4.1827 4.6131 4.6131 12.8374 12.8374 14.5097 14.5097 16.0570 16.0570 16.0684 16.0684 k = 0.3333 0.5774 0.0985 ( 2340 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7565 -33.7565 -33.7536 -33.7536 -33.4820 -33.4820 -33.4713 -33.4713 -33.4619 -33.4619 -33.4517 -33.4517 -10.2910 -10.2910 -10.2895 -10.2895 2.1611 2.1611 3.0459 3.0459 3.0562 3.0562 4.2330 4.2330 4.2394 4.2394 4.5876 4.5876 12.8486 12.8486 14.4969 14.4969 16.0618 16.0618 16.0732 16.0732 k = 0.3333 0.5774 0.1094 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7566 -33.7566 -33.7537 -33.7537 -33.4827 -33.4827 -33.4711 -33.4711 -33.4619 -33.4619 -33.4512 -33.4512 -10.2890 -10.2890 -10.2874 -10.2874 2.1769 2.1769 2.9905 2.9905 3.0004 3.0004 4.2891 4.2891 4.2957 4.2957 4.5594 4.5594 12.8610 12.8610 14.4827 14.4827 16.0671 16.0671 16.0783 16.0783 k = 0.3333 0.5774 0.1203 ( 2340 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7567 -33.7567 -33.7537 -33.7537 -33.4834 -33.4834 -33.4709 -33.4709 -33.4618 -33.4618 -33.4507 -33.4507 -10.2867 -10.2867 -10.2852 -10.2852 2.1943 2.1943 2.9356 2.9356 2.9452 2.9452 4.3447 4.3447 4.3515 4.3515 4.5288 4.5288 12.8747 12.8747 14.4669 14.4669 16.0727 16.0727 16.0838 16.0838 k = 0.3333 0.5774 0.1313 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7568 -33.7568 -33.7537 -33.7537 -33.4842 -33.4842 -33.4707 -33.4707 -33.4617 -33.4617 -33.4502 -33.4502 -10.2843 -10.2843 -10.2828 -10.2828 2.2133 2.2133 2.8814 2.8814 2.8907 2.8907 4.3996 4.3996 4.4063 4.4063 4.4960 4.4960 12.8896 12.8896 14.4496 14.4496 16.0785 16.0785 16.0894 16.0894 k = 0.3333 0.5774 0.1422 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7570 -33.7570 -33.7538 -33.7538 -33.4849 -33.4849 -33.4705 -33.4705 -33.4616 -33.4616 -33.4497 -33.4497 -10.2818 -10.2818 -10.2802 -10.2802 2.2338 2.2338 2.8281 2.8281 2.8372 2.8372 4.4516 4.4516 4.4536 4.4536 4.4695 4.4695 12.9058 12.9058 14.4308 14.4308 16.0844 16.0844 16.0953 16.0953 k = 0.3333 0.5774 0.1532 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7571 -33.7571 -33.7538 -33.7538 -33.4856 -33.4856 -33.4703 -33.4703 -33.4616 -33.4616 -33.4492 -33.4492 -10.2791 -10.2791 -10.2776 -10.2776 2.2560 2.2560 2.7759 2.7759 2.7848 2.7848 4.4210 4.4210 4.5066 4.5066 4.5155 4.5155 12.9232 12.9232 14.4106 14.4106 16.0905 16.0905 16.1012 16.1012 k = 0.3333 0.5774 0.1641 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7573 -33.7573 -33.7538 -33.7538 -33.4863 -33.4863 -33.4702 -33.4702 -33.4615 -33.4615 -33.4487 -33.4487 -10.2764 -10.2764 -10.2748 -10.2748 2.2797 2.2797 2.7249 2.7249 2.7336 2.7336 4.3817 4.3817 4.5584 4.5584 4.5672 4.5672 12.9417 12.9417 14.3890 14.3890 16.0967 16.0967 16.1072 16.1072 k = 0.3333 0.5774 0.1750 ( 2340 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7574 -33.7574 -33.7538 -33.7538 -33.4869 -33.4869 -33.4701 -33.4701 -33.4614 -33.4614 -33.4481 -33.4481 -10.2735 -10.2735 -10.2720 -10.2720 2.3050 2.3050 2.6753 2.6753 2.6838 2.6838 4.3403 4.3403 4.6090 4.6090 4.6178 4.6178 12.9616 12.9616 14.3659 14.3659 16.1030 16.1030 16.1133 16.1133 k = 0.3333 0.5774 0.1860 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7576 -33.7576 -33.7539 -33.7539 -33.4876 -33.4876 -33.4700 -33.4700 -33.4613 -33.4613 -33.4476 -33.4476 -10.2707 -10.2707 -10.2691 -10.2691 2.3318 2.3318 2.6271 2.6271 2.6355 2.6355 4.2968 4.2968 4.6580 4.6580 4.6670 4.6670 12.9825 12.9825 14.3415 14.3415 16.1090 16.1090 16.1192 16.1192 k = 0.3333 0.5774 0.1969 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7577 -33.7577 -33.7539 -33.7539 -33.4883 -33.4883 -33.4700 -33.4700 -33.4613 -33.4613 -33.4471 -33.4471 -10.2677 -10.2677 -10.2662 -10.2662 2.3601 2.3601 2.5805 2.5805 2.5887 2.5887 4.2517 4.2517 4.7056 4.7056 4.7147 4.7147 13.0045 13.0045 14.3158 14.3158 16.1149 16.1149 16.1249 16.1249 k = 0.3333 0.5774 0.2079 ( 2355 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7579 -33.7579 -33.7540 -33.7540 -33.4889 -33.4889 -33.4699 -33.4699 -33.4612 -33.4612 -33.4465 -33.4465 -10.2648 -10.2648 -10.2632 -10.2632 2.3898 2.3898 2.5355 2.5355 2.5436 2.5436 4.2052 4.2052 4.7515 4.7515 4.7608 4.7608 13.0277 13.0277 14.2888 14.2888 16.1206 16.1206 16.1305 16.1305 k = 0.3333 0.5774 0.2188 ( 2343 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7580 -33.7580 -33.7540 -33.7540 -33.4895 -33.4895 -33.4699 -33.4699 -33.4610 -33.4610 -33.4460 -33.4460 -10.2618 -10.2618 -10.2602 -10.2602 2.4211 2.4211 2.4923 2.4923 2.5004 2.5004 4.1572 4.1572 4.7957 4.7957 4.8051 4.8051 13.0519 13.0519 14.2607 14.2607 16.1262 16.1262 16.1359 16.1359 k = 0.3333 0.5774 0.2298 ( 2343 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7582 -33.7582 -33.7540 -33.7540 -33.4900 -33.4900 -33.4698 -33.4698 -33.4610 -33.4610 -33.4455 -33.4455 -10.2588 -10.2588 -10.2573 -10.2573 2.4509 2.4509 2.4520 2.4520 2.4608 2.4608 4.1080 4.1080 4.8380 4.8380 4.8476 4.8476 13.0772 13.0772 14.2314 14.2314 16.1314 16.1314 16.1409 16.1409 k = 0.3333 0.5774 0.2407 ( 2343 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7583 -33.7583 -33.7541 -33.7541 -33.4906 -33.4906 -33.4698 -33.4698 -33.4609 -33.4609 -33.4450 -33.4450 -10.2559 -10.2559 -10.2544 -10.2544 2.4115 2.4115 2.4190 2.4190 2.4884 2.4884 4.0578 4.0578 4.8783 4.8783 4.8881 4.8881 13.1035 13.1035 14.2010 14.2010 16.1363 16.1363 16.1455 16.1455 k = 0.3333 0.5774 0.2516 ( 2355 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7585 -33.7585 -33.7541 -33.7541 -33.4911 -33.4911 -33.4698 -33.4698 -33.4608 -33.4608 -33.4445 -33.4445 -10.2531 -10.2531 -10.2515 -10.2515 2.3739 2.3739 2.3815 2.3815 2.5239 2.5239 4.0064 4.0064 4.9166 4.9166 4.9265 4.9265 13.1308 13.1308 14.1696 14.1696 16.1407 16.1407 16.1498 16.1498 k = 0.3333 0.5774 0.2626 ( 2355 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7587 -33.7587 -33.7541 -33.7541 -33.4916 -33.4916 -33.4698 -33.4698 -33.4608 -33.4608 -33.4440 -33.4440 -10.2503 -10.2503 -10.2487 -10.2487 2.3385 2.3385 2.3460 2.3460 2.5608 2.5608 3.9543 3.9543 4.9529 4.9529 4.9629 4.9629 13.1591 13.1591 14.1373 14.1373 16.1448 16.1448 16.1537 16.1537 k = 0.3333 0.5774 0.2735 ( 2355 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7588 -33.7588 -33.7542 -33.7542 -33.4920 -33.4920 -33.4698 -33.4698 -33.4607 -33.4607 -33.4436 -33.4436 -10.2476 -10.2476 -10.2461 -10.2461 2.3053 2.3053 2.3127 2.3127 2.5990 2.5990 3.9015 3.9015 4.9870 4.9870 4.9971 4.9971 13.1882 13.1882 14.1042 14.1042 16.1485 16.1485 16.1572 16.1572 k = 0.3333 0.5774 0.2845 ( 2355 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7589 -33.7589 -33.7542 -33.7542 -33.4925 -33.4925 -33.4699 -33.4699 -33.4606 -33.4606 -33.4432 -33.4432 -10.2450 -10.2450 -10.2435 -10.2435 2.2743 2.2743 2.2816 2.2816 2.6386 2.6386 3.8481 3.8481 5.0188 5.0188 5.0291 5.0291 13.2183 13.2183 14.0703 14.0703 16.1518 16.1518 16.1604 16.1604 k = 0.3333 0.5774 0.2954 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7590 -33.7590 -33.7542 -33.7542 -33.4929 -33.4929 -33.4699 -33.4699 -33.4605 -33.4605 -33.4428 -33.4428 -10.2426 -10.2426 -10.2411 -10.2411 2.2455 2.2455 2.2528 2.2528 2.6795 2.6795 3.7942 3.7942 5.0484 5.0484 5.0588 5.0588 13.2492 13.2492 14.0356 14.0356 16.1548 16.1548 16.1632 16.1632 k = 0.3333 0.5774 0.3063 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7592 -33.7592 -33.7543 -33.7543 -33.4932 -33.4932 -33.4699 -33.4699 -33.4604 -33.4604 -33.4424 -33.4424 -10.2403 -10.2403 -10.2388 -10.2388 2.2190 2.2190 2.2263 2.2263 2.7215 2.7215 3.7399 3.7399 5.0756 5.0756 5.0860 5.0860 13.2809 13.2809 14.0004 14.0004 16.1573 16.1573 16.1656 16.1656 k = 0.3333 0.5774 0.3173 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7593 -33.7593 -33.7543 -33.7543 -33.4935 -33.4935 -33.4699 -33.4699 -33.4604 -33.4604 -33.4421 -33.4421 -10.2382 -10.2382 -10.2367 -10.2367 2.1949 2.1949 2.2021 2.2021 2.7648 2.7648 3.6854 3.6854 5.1004 5.1004 5.1109 5.1109 13.3133 13.3133 13.9646 13.9646 16.1595 16.1595 16.1676 16.1676 k = 0.3333 0.5774 0.3282 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7594 -33.7594 -33.7543 -33.7543 -33.4938 -33.4938 -33.4699 -33.4699 -33.4603 -33.4603 -33.4418 -33.4418 -10.2363 -10.2363 -10.2347 -10.2347 2.1733 2.1733 2.1804 2.1804 2.8091 2.8091 3.6308 3.6308 5.1227 5.1227 5.1333 5.1333 13.3465 13.3465 13.9284 13.9284 16.1615 16.1615 16.1694 16.1694 k = 0.3333 0.5774 0.3392 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7595 -33.7595 -33.7543 -33.7543 -33.4941 -33.4941 -33.4699 -33.4699 -33.4603 -33.4603 -33.4416 -33.4416 -10.2345 -10.2345 -10.2330 -10.2330 2.1540 2.1540 2.1612 2.1612 2.8547 2.8547 3.5761 3.5761 5.1425 5.1425 5.1531 5.1531 13.3803 13.3803 13.8918 13.8918 16.1630 16.1630 16.1709 16.1709 k = 0.3333 0.5774 0.3501 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7595 -33.7595 -33.7543 -33.7543 -33.4943 -33.4943 -33.4700 -33.4700 -33.4602 -33.4602 -33.4413 -33.4413 -10.2330 -10.2330 -10.2314 -10.2314 2.1373 2.1373 2.1444 2.1444 2.9012 2.9012 3.5215 3.5215 5.1597 5.1597 5.1704 5.1704 13.4147 13.4147 13.8549 13.8549 16.1643 16.1643 16.1720 16.1720 k = 0.3333 0.5774 0.3610 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7596 -33.7596 -33.7544 -33.7544 -33.4945 -33.4945 -33.4700 -33.4700 -33.4602 -33.4602 -33.4411 -33.4411 -10.2317 -10.2317 -10.2301 -10.2301 2.1231 2.1231 2.1302 2.1302 2.9488 2.9488 3.4670 3.4670 5.1744 5.1744 5.1851 5.1851 13.4497 13.4497 13.8178 13.8178 16.1653 16.1653 16.1729 16.1729 k = 0.3333 0.5774 0.3720 ( 2346 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4946 -33.4946 -33.4700 -33.4700 -33.4602 -33.4601 -33.4410 -33.4410 -10.2306 -10.2306 -10.2290 -10.2290 2.1114 2.1114 2.1185 2.1185 2.9973 2.9973 3.4129 3.4129 5.1864 5.1864 5.1972 5.1972 13.4852 13.4852 13.7805 13.7805 16.1662 16.1662 16.1738 16.1738 k = 0.3333 0.5774 0.3829 ( 2352 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7597 -33.7597 -33.7544 -33.7544 -33.4948 -33.4948 -33.4700 -33.4700 -33.4602 -33.4602 -33.4409 -33.4409 -10.2297 -10.2297 -10.2282 -10.2282 2.1023 2.1023 2.1094 2.1094 3.0467 3.0467 3.3590 3.3590 5.1958 5.1958 5.2066 5.2066 13.5212 13.5212 13.7432 13.7432 16.1667 16.1667 16.1742 16.1742 k = 0.3333 0.5774 0.3939 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4949 -33.4949 -33.4700 -33.4700 -33.4601 -33.4601 -33.4408 -33.4408 -10.2291 -10.2291 -10.2276 -10.2276 2.0958 2.0958 2.1028 2.1028 3.0970 3.0970 3.3054 3.3054 5.2025 5.2025 5.2133 5.2133 13.5575 13.5575 13.7058 13.7058 16.1671 16.1671 16.1745 16.1745 k = 0.3333 0.5774 0.4048 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4949 -33.4949 -33.4700 -33.4700 -33.4601 -33.4601 -33.4407 -33.4407 -10.2287 -10.2287 -10.2272 -10.2272 2.0919 2.0919 2.0989 2.0989 3.1479 3.1479 3.2526 3.2526 5.2065 5.2065 5.2174 5.2174 13.5941 13.5941 13.6686 13.6686 16.1673 16.1673 16.1747 16.1747 k = 0.3333 0.5774 0.4157 ( 2358 PWs) bands (ev): -66.8004 -66.8004 -66.8004 -66.8004 -33.7598 -33.7598 -33.7544 -33.7544 -33.4950 -33.4950 -33.4700 -33.4700 -33.4601 -33.4601 -33.4407 -33.4407 -10.2286 -10.2286 -10.2271 -10.2271 2.0906 2.0906 2.0976 2.0976 3.1949 3.1949 3.2049 3.2049 5.2078 5.2078 5.2187 5.2187 13.6270 13.6270 13.6355 13.6355 16.1674 16.1674 16.1748 16.1748 Writing output data file MgO.save init_run : 0.07s CPU 0.17s WALL ( 1 calls) electrons : 82.29s CPU 84.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 82.28s CPU 84.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 407 calls) cegterg : 75.82s CPU 77.27s WALL ( 495 calls) Called by sum_band: Called by *egterg: h_psi : 39.47s CPU 41.12s WALL ( 7940 calls) s_psi : 0.74s CPU 0.74s WALL ( 7940 calls) g_psi : 0.11s CPU 0.11s WALL ( 7038 calls) cdiaghg : 34.47s CPU 34.12s WALL ( 7445 calls) cegterg:over : 2.40s CPU 2.45s WALL ( 7038 calls) cegterg:upda : 1.56s CPU 1.72s WALL ( 7038 calls) cegterg:last : 1.04s CPU 1.17s WALL ( 1274 calls) cdiaghg:chol : 1.80s CPU 1.73s WALL ( 7445 calls) cdiaghg:inve : 0.91s CPU 0.95s WALL ( 7445 calls) cdiaghg:para : 1.81s CPU 2.05s WALL ( 14890 calls) Called by h_psi: h_psi:vloc : 37.10s CPU 38.81s WALL ( 7940 calls) h_psi:vnl : 2.29s CPU 2.25s WALL ( 7940 calls) add_vuspsi : 1.00s CPU 0.90s WALL ( 7940 calls) General routines calbec : 1.27s CPU 1.33s WALL ( 7940 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.83s CPU 36.35s WALL ( 593348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.14s WALL ( 814 calls) Parallel routines fft_scatter : 13.37s CPU 13.85s WALL ( 593371 calls) PWSCF : 1m33.45s CPU 1m46.51s WALL This run was terminated on: 20:45:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=