Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 23:18:38 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./HfI3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 34 9 2043 1246 183 Max 48 35 10 2048 1267 190 Sum 3427 2479 685 147263 90325 13349 bravais-lattice index = 14 lattice parameter (alat) = 13.6533 a.u. unit-cell volume = 2010.4268 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.653270 celldm(2)= 1.000000 celldm(3)= 0.912111 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.912111 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.096358 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) I 7.00 126.90450 I( 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 ) ( 0.4560554 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4560554 ) 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 ) ( 0.4560554 ) 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 ) ( 0.4560554 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4560554 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4560554 ) 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 ) ( 0.4560554 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4560554 ) 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 ) ( 0.4560554 ) 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 ) ( 0.4560554 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4560554 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4560554 ) 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= 221 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0045249 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0045249 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0045249 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0045249 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0045249 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0045249 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0045249 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0045249 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0045249 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0045249 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0045249 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0045249 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0045249 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0045249 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0045249 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0045249 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0045249 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0045249 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0045249 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0045249 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0045249 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0045249 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0045249 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0045249 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0045249 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0045249 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0045249 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0045249 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0045249 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0045249 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0045249 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0045249 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0045249 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0045249 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0045249 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0045249 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0045249 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0045249 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0045249 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 45) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0045249 k( 46) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0045249 k( 47) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0045249 k( 48) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0045249 k( 49) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0045249 k( 50) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0045249 k( 51) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0045249 k( 52) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0045249 k( 53) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0045249 k( 54) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0045249 k( 55) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0045249 k( 56) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0045249 k( 57) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0045249 k( 58) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0045249 k( 59) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0045249 k( 60) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0045249 k( 61) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0045249 k( 62) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0045249 k( 63) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0045249 k( 64) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0045249 k( 65) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0045249 k( 66) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0045249 k( 67) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0045249 k( 68) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0045249 k( 69) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0045249 k( 70) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0045249 k( 71) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0045249 k( 72) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0045249 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 75) = ( 0.0000000 0.0000000 0.0228408), wk = 0.0045249 k( 76) = ( 0.0000000 0.0000000 0.0456816), wk = 0.0045249 k( 77) = ( 0.0000000 0.0000000 0.0685224), wk = 0.0045249 k( 78) = ( 0.0000000 0.0000000 0.0913632), wk = 0.0045249 k( 79) = ( 0.0000000 0.0000000 0.1142040), wk = 0.0045249 k( 80) = ( 0.0000000 0.0000000 0.1370448), wk = 0.0045249 k( 81) = ( 0.0000000 0.0000000 0.1598856), wk = 0.0045249 k( 82) = ( 0.0000000 0.0000000 0.1827264), wk = 0.0045249 k( 83) = ( 0.0000000 0.0000000 0.2055671), wk = 0.0045249 k( 84) = ( 0.0000000 0.0000000 0.2284079), wk = 0.0045249 k( 85) = ( 0.0000000 0.0000000 0.2512487), wk = 0.0045249 k( 86) = ( 0.0000000 0.0000000 0.2740895), wk = 0.0045249 k( 87) = ( 0.0000000 0.0000000 0.2969303), wk = 0.0045249 k( 88) = ( 0.0000000 0.0000000 0.3197711), wk = 0.0045249 k( 89) = ( 0.0000000 0.0000000 0.3426119), wk = 0.0045249 k( 90) = ( 0.0000000 0.0000000 0.3654527), wk = 0.0045249 k( 91) = ( 0.0000000 0.0000000 0.3882935), wk = 0.0045249 k( 92) = ( 0.0000000 0.0000000 0.4111343), wk = 0.0045249 k( 93) = ( 0.0000000 0.0000000 0.4339751), wk = 0.0045249 k( 94) = ( 0.0000000 0.0000000 0.4568159), wk = 0.0045249 k( 95) = ( 0.0000000 0.0000000 0.4796567), wk = 0.0045249 k( 96) = ( 0.0000000 0.0000000 0.5024975), wk = 0.0045249 k( 97) = ( 0.0000000 0.0000000 0.5253383), wk = 0.0045249 k( 98) = ( 0.0000000 0.0000000 0.5481791), wk = 0.0045249 k( 99) = ( 0.0000000 0.0000000 0.5481791), wk = 0.0045249 k( 100) = ( 0.0192308 0.0111029 0.5481791), wk = 0.0045249 k( 101) = ( 0.0384615 0.0222058 0.5481791), wk = 0.0045249 k( 102) = ( 0.0576923 0.0333087 0.5481791), wk = 0.0045249 k( 103) = ( 0.0769231 0.0444116 0.5481791), wk = 0.0045249 k( 104) = ( 0.0961538 0.0555145 0.5481791), wk = 0.0045249 k( 105) = ( 0.1153846 0.0666173 0.5481791), wk = 0.0045249 k( 106) = ( 0.1346154 0.0777202 0.5481791), wk = 0.0045249 k( 107) = ( 0.1538461 0.0888231 0.5481791), wk = 0.0045249 k( 108) = ( 0.1730769 0.0999260 0.5481791), wk = 0.0045249 k( 109) = ( 0.1923077 0.1110289 0.5481791), wk = 0.0045249 k( 110) = ( 0.2115385 0.1221318 0.5481791), wk = 0.0045249 k( 111) = ( 0.2307692 0.1332347 0.5481791), wk = 0.0045249 k( 112) = ( 0.2500000 0.1443376 0.5481791), wk = 0.0045249 k( 113) = ( 0.2692308 0.1554405 0.5481791), wk = 0.0045249 k( 114) = ( 0.2884615 0.1665433 0.5481791), wk = 0.0045249 k( 115) = ( 0.3076923 0.1776462 0.5481791), wk = 0.0045249 k( 116) = ( 0.3269231 0.1887491 0.5481791), wk = 0.0045249 k( 117) = ( 0.3461538 0.1998520 0.5481791), wk = 0.0045249 k( 118) = ( 0.3653846 0.2109549 0.5481791), wk = 0.0045249 k( 119) = ( 0.3846154 0.2220578 0.5481791), wk = 0.0045249 k( 120) = ( 0.4038462 0.2331607 0.5481791), wk = 0.0045249 k( 121) = ( 0.4230769 0.2442636 0.5481791), wk = 0.0045249 k( 122) = ( 0.4423077 0.2553665 0.5481791), wk = 0.0045249 k( 123) = ( 0.4615385 0.2664694 0.5481791), wk = 0.0045249 k( 124) = ( 0.4807692 0.2775722 0.5481791), wk = 0.0045249 k( 125) = ( 0.5000000 0.2886751 0.5481791), wk = 0.0045249 k( 126) = ( 0.5000000 0.2886751 0.5481791), wk = 0.0045249 k( 127) = ( 0.4888889 0.3079201 0.5481791), wk = 0.0045249 k( 128) = ( 0.4777778 0.3271651 0.5481791), wk = 0.0045249 k( 129) = ( 0.4666667 0.3464102 0.5481791), wk = 0.0045249 k( 130) = ( 0.4555556 0.3656552 0.5481791), wk = 0.0045249 k( 131) = ( 0.4444444 0.3849002 0.5481791), wk = 0.0045249 k( 132) = ( 0.4333333 0.4041452 0.5481791), wk = 0.0045249 k( 133) = ( 0.4222222 0.4233902 0.5481791), wk = 0.0045249 k( 134) = ( 0.4111111 0.4426352 0.5481791), wk = 0.0045249 k( 135) = ( 0.4000000 0.4618802 0.5481791), wk = 0.0045249 k( 136) = ( 0.3888889 0.4811252 0.5481791), wk = 0.0045249 k( 137) = ( 0.3777778 0.5003702 0.5481791), wk = 0.0045249 k( 138) = ( 0.3666667 0.5196152 0.5481791), wk = 0.0045249 k( 139) = ( 0.3555556 0.5388603 0.5481791), wk = 0.0045249 k( 140) = ( 0.3444444 0.5581053 0.5481791), wk = 0.0045249 k( 141) = ( 0.3333333 0.5773503 0.5481791), wk = 0.0045249 k( 142) = ( 0.3333333 0.5773503 0.5481791), wk = 0.0045249 k( 143) = ( 0.3218391 0.5574416 0.5481791), wk = 0.0045249 k( 144) = ( 0.3103448 0.5375330 0.5481791), wk = 0.0045249 k( 145) = ( 0.2988506 0.5176244 0.5481791), wk = 0.0045249 k( 146) = ( 0.2873563 0.4977157 0.5481791), wk = 0.0045249 k( 147) = ( 0.2758621 0.4778071 0.5481791), wk = 0.0045249 k( 148) = ( 0.2643678 0.4578985 0.5481791), wk = 0.0045249 k( 149) = ( 0.2528736 0.4379899 0.5481791), wk = 0.0045249 k( 150) = ( 0.2413793 0.4180812 0.5481791), wk = 0.0045249 k( 151) = ( 0.2298851 0.3981726 0.5481791), wk = 0.0045249 k( 152) = ( 0.2183908 0.3782640 0.5481791), wk = 0.0045249 k( 153) = ( 0.2068966 0.3583553 0.5481791), wk = 0.0045249 k( 154) = ( 0.1954023 0.3384467 0.5481791), wk = 0.0045249 k( 155) = ( 0.1839080 0.3185381 0.5481791), wk = 0.0045249 k( 156) = ( 0.1724138 0.2986294 0.5481791), wk = 0.0045249 k( 157) = ( 0.1609195 0.2787208 0.5481791), wk = 0.0045249 k( 158) = ( 0.1494253 0.2588122 0.5481791), wk = 0.0045249 k( 159) = ( 0.1379310 0.2389036 0.5481791), wk = 0.0045249 k( 160) = ( 0.1264368 0.2189949 0.5481791), wk = 0.0045249 k( 161) = ( 0.1149425 0.1990863 0.5481791), wk = 0.0045249 k( 162) = ( 0.1034483 0.1791777 0.5481791), wk = 0.0045249 k( 163) = ( 0.0919540 0.1592690 0.5481791), wk = 0.0045249 k( 164) = ( 0.0804598 0.1393604 0.5481791), wk = 0.0045249 k( 165) = ( 0.0689655 0.1194518 0.5481791), wk = 0.0045249 k( 166) = ( 0.0574713 0.0995431 0.5481791), wk = 0.0045249 k( 167) = ( 0.0459770 0.0796345 0.5481791), wk = 0.0045249 k( 168) = ( 0.0344828 0.0597259 0.5481791), wk = 0.0045249 k( 169) = ( 0.0229885 0.0398173 0.5481791), wk = 0.0045249 k( 170) = ( 0.0114942 0.0199086 0.5481791), wk = 0.0045249 k( 171) = ( 0.0000000 0.0000000 0.5481791), wk = 0.0045249 k( 172) = ( 0.5000000 0.2886751 0.5481791), wk = 0.0045249 k( 173) = ( 0.5000000 0.2886751 0.5253383), wk = 0.0045249 k( 174) = ( 0.5000000 0.2886751 0.5024975), wk = 0.0045249 k( 175) = ( 0.5000000 0.2886751 0.4796567), wk = 0.0045249 k( 176) = ( 0.5000000 0.2886751 0.4568159), wk = 0.0045249 k( 177) = ( 0.5000000 0.2886751 0.4339751), wk = 0.0045249 k( 178) = ( 0.5000000 0.2886751 0.4111343), wk = 0.0045249 k( 179) = ( 0.5000000 0.2886751 0.3882935), wk = 0.0045249 k( 180) = ( 0.5000000 0.2886751 0.3654527), wk = 0.0045249 k( 181) = ( 0.5000000 0.2886751 0.3426119), wk = 0.0045249 k( 182) = ( 0.5000000 0.2886751 0.3197711), wk = 0.0045249 k( 183) = ( 0.5000000 0.2886751 0.2969303), wk = 0.0045249 k( 184) = ( 0.5000000 0.2886751 0.2740895), wk = 0.0045249 k( 185) = ( 0.5000000 0.2886751 0.2512487), wk = 0.0045249 k( 186) = ( 0.5000000 0.2886751 0.2284079), wk = 0.0045249 k( 187) = ( 0.5000000 0.2886751 0.2055671), wk = 0.0045249 k( 188) = ( 0.5000000 0.2886751 0.1827264), wk = 0.0045249 k( 189) = ( 0.5000000 0.2886751 0.1598856), wk = 0.0045249 k( 190) = ( 0.5000000 0.2886751 0.1370448), wk = 0.0045249 k( 191) = ( 0.5000000 0.2886751 0.1142040), wk = 0.0045249 k( 192) = ( 0.5000000 0.2886751 0.0913632), wk = 0.0045249 k( 193) = ( 0.5000000 0.2886751 0.0685224), wk = 0.0045249 k( 194) = ( 0.5000000 0.2886751 0.0456816), wk = 0.0045249 k( 195) = ( 0.5000000 0.2886751 0.0228408), wk = 0.0045249 k( 196) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 197) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 198) = ( 0.3333333 0.5773503 0.0228408), wk = 0.0045249 k( 199) = ( 0.3333333 0.5773503 0.0456816), wk = 0.0045249 k( 200) = ( 0.3333333 0.5773503 0.0685224), wk = 0.0045249 k( 201) = ( 0.3333333 0.5773503 0.0913632), wk = 0.0045249 k( 202) = ( 0.3333333 0.5773503 0.1142040), wk = 0.0045249 k( 203) = ( 0.3333333 0.5773503 0.1370448), wk = 0.0045249 k( 204) = ( 0.3333333 0.5773503 0.1598856), wk = 0.0045249 k( 205) = ( 0.3333333 0.5773503 0.1827264), wk = 0.0045249 k( 206) = ( 0.3333333 0.5773503 0.2055671), wk = 0.0045249 k( 207) = ( 0.3333333 0.5773503 0.2284079), wk = 0.0045249 k( 208) = ( 0.3333333 0.5773503 0.2512487), wk = 0.0045249 k( 209) = ( 0.3333333 0.5773503 0.2740895), wk = 0.0045249 k( 210) = ( 0.3333333 0.5773503 0.2969303), wk = 0.0045249 k( 211) = ( 0.3333333 0.5773503 0.3197711), wk = 0.0045249 k( 212) = ( 0.3333333 0.5773503 0.3426119), wk = 0.0045249 k( 213) = ( 0.3333333 0.5773503 0.3654527), wk = 0.0045249 k( 214) = ( 0.3333333 0.5773503 0.3882935), wk = 0.0045249 k( 215) = ( 0.3333333 0.5773503 0.4111343), wk = 0.0045249 k( 216) = ( 0.3333333 0.5773503 0.4339751), wk = 0.0045249 k( 217) = ( 0.3333333 0.5773503 0.4568159), wk = 0.0045249 k( 218) = ( 0.3333333 0.5773503 0.4796567), wk = 0.0045249 k( 219) = ( 0.3333333 0.5773503 0.5024975), wk = 0.0045249 k( 220) = ( 0.3333333 0.5773503 0.5253383), wk = 0.0045249 k( 221) = ( 0.3333333 0.5773503 0.5481791), wk = 0.0045249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 2) = ( 0.0192308 0.0000000 -0.0000000), wk = 0.0045249 k( 3) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0045249 k( 4) = ( 0.0576923 0.0000000 -0.0000000), wk = 0.0045249 k( 5) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0045249 k( 6) = ( 0.0961538 -0.0000000 -0.0000000), wk = 0.0045249 k( 7) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0045249 k( 8) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0045249 k( 9) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0045249 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0045249 k( 11) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0045249 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0045249 k( 13) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0045249 k( 14) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0045249 k( 15) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0045249 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0045249 k( 17) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0045249 k( 18) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0045249 k( 19) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0045249 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0045249 k( 21) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0045249 k( 22) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0045249 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0045249 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0045249 k( 25) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0045249 k( 26) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0045249 k( 27) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0045249 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0045249 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0045249 k( 30) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0045249 k( 31) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0045249 k( 32) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0045249 k( 33) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0045249 k( 34) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0045249 k( 35) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0045249 k( 36) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0045249 k( 37) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0045249 k( 38) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0045249 k( 39) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0045249 k( 40) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0045249 k( 41) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0045249 k( 42) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0045249 k( 43) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045249 k( 44) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045249 k( 45) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0045249 k( 46) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0045249 k( 47) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0045249 k( 48) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0045249 k( 49) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0045249 k( 50) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0045249 k( 51) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0045249 k( 52) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0045249 k( 53) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0045249 k( 54) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0045249 k( 55) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0045249 k( 56) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0045249 k( 57) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0045249 k( 58) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0045249 k( 59) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0045249 k( 60) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0045249 k( 61) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0045249 k( 62) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0045249 k( 63) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0045249 k( 64) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0045249 k( 65) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0045249 k( 66) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0045249 k( 67) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0045249 k( 68) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0045249 k( 69) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0045249 k( 70) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0045249 k( 71) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0045249 k( 72) = ( 0.0114942 0.0114943 0.0000000), wk = 0.0045249 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 75) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0045249 k( 76) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0045249 k( 77) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0045249 k( 78) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0045249 k( 79) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0045249 k( 80) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0045249 k( 81) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0045249 k( 82) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0045249 k( 83) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0045249 k( 84) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0045249 k( 85) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0045249 k( 86) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0045249 k( 87) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0045249 k( 88) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0045249 k( 89) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0045249 k( 90) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0045249 k( 91) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0045249 k( 92) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0045249 k( 93) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0045249 k( 94) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0045249 k( 95) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0045249 k( 96) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0045249 k( 97) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0045249 k( 98) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 100) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0045249 k( 101) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0045249 k( 102) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0045249 k( 103) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0045249 k( 104) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0045249 k( 105) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0045249 k( 106) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0045249 k( 107) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0045249 k( 108) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0045249 k( 109) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0045249 k( 110) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0045249 k( 111) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0045249 k( 112) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0045249 k( 113) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0045249 k( 114) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0045249 k( 115) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0045249 k( 116) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0045249 k( 117) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0045249 k( 118) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0045249 k( 119) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0045249 k( 120) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0045249 k( 121) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0045249 k( 122) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0045249 k( 123) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0045249 k( 124) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0045249 k( 125) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045249 k( 126) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045249 k( 127) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0045249 k( 128) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0045249 k( 129) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0045249 k( 130) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0045249 k( 131) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0045249 k( 132) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0045249 k( 133) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0045249 k( 134) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0045249 k( 135) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0045249 k( 136) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0045249 k( 137) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0045249 k( 138) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0045249 k( 139) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0045249 k( 140) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0045249 k( 141) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 k( 142) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 k( 143) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0045249 k( 144) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0045249 k( 145) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0045249 k( 146) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0045249 k( 147) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0045249 k( 148) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0045249 k( 149) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0045249 k( 150) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0045249 k( 151) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0045249 k( 152) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0045249 k( 153) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0045249 k( 154) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0045249 k( 155) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0045249 k( 156) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0045249 k( 157) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0045249 k( 158) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0045249 k( 159) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0045249 k( 160) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0045249 k( 161) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0045249 k( 162) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0045249 k( 163) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0045249 k( 164) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0045249 k( 165) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0045249 k( 166) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0045249 k( 167) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0045249 k( 168) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0045249 k( 169) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0045249 k( 170) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0045249 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045249 k( 173) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0045249 k( 174) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0045249 k( 175) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0045249 k( 176) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0045249 k( 177) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0045249 k( 178) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0045249 k( 179) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0045249 k( 180) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0045249 k( 181) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0045249 k( 182) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0045249 k( 183) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0045249 k( 184) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0045249 k( 185) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0045249 k( 186) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0045249 k( 187) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0045249 k( 188) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0045249 k( 189) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0045249 k( 190) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0045249 k( 191) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0045249 k( 192) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0045249 k( 193) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0045249 k( 194) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0045249 k( 195) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0045249 k( 196) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0045249 k( 197) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045249 k( 198) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0045249 k( 199) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0045249 k( 200) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0045249 k( 201) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0045249 k( 202) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0045249 k( 203) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0045249 k( 204) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0045249 k( 205) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0045249 k( 206) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0045249 k( 207) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0045249 k( 208) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0045249 k( 209) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0045249 k( 210) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0045249 k( 211) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0045249 k( 212) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0045249 k( 213) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045249 k( 214) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0045249 k( 215) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0045249 k( 216) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0045249 k( 217) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0045249 k( 218) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0045249 k( 219) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0045249 k( 220) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0045249 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 Dense grid: 147263 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 90325 G-vectors FFT dimensions: ( 64, 64, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 324, 80) NL pseudopotentials 0.67 Mb ( 162, 272) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2046) G-vector shells 0.01 Mb ( 1026) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.58 Mb ( 324, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.66 Mb ( 272, 2, 80) The potential is recalculated from file : ./HfI3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 10.3 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 14.3 secs Computing kpt #: 7 total cpu time spent up to now is 16.4 secs Computing kpt #: 8 total cpu time spent up to now is 18.5 secs Computing kpt #: 9 total cpu time spent up to now is 20.5 secs Computing kpt #: 10 total cpu time spent up to now is 22.5 secs Computing kpt #: 11 total cpu time spent up to now is 24.6 secs Computing kpt #: 12 total cpu time spent up to now is 26.6 secs Computing kpt #: 13 total cpu time spent up to now is 28.8 secs Computing kpt #: 14 total cpu time spent up to now is 30.8 secs Computing kpt #: 15 total cpu time spent up to now is 32.9 secs Computing kpt #: 16 total cpu time spent up to now is 35.0 secs Computing kpt #: 17 total cpu time spent up to now is 37.2 secs Computing kpt #: 18 total cpu time spent up to now is 39.3 secs Computing kpt #: 19 total cpu time spent up to now is 41.5 secs Computing kpt #: 20 total cpu time spent up to now is 43.6 secs Computing kpt #: 21 total cpu time spent up to now is 45.8 secs Computing kpt #: 22 total cpu time spent up to now is 48.0 secs Computing kpt #: 23 total cpu time spent up to now is 50.5 secs Computing kpt #: 24 total cpu time spent up to now is 53.0 secs Computing kpt #: 25 total cpu time spent up to now is 55.5 secs Computing kpt #: 26 total cpu time spent up to now is 57.9 secs Computing kpt #: 27 total cpu time spent up to now is 60.4 secs Computing kpt #: 28 total cpu time spent up to now is 62.8 secs Computing kpt #: 29 total cpu time spent up to now is 65.3 secs Computing kpt #: 30 total cpu time spent up to now is 67.7 secs Computing kpt #: 31 total cpu time spent up to now is 70.1 secs Computing kpt #: 32 total cpu time spent up to now is 72.6 secs Computing kpt #: 33 total cpu time spent up to now is 75.1 secs Computing kpt #: 34 total cpu time spent up to now is 77.7 secs Computing kpt #: 35 total cpu time spent up to now is 80.1 secs Computing kpt #: 36 total cpu time spent up to now is 82.4 secs Computing kpt #: 37 total cpu time spent up to now is 84.4 secs Computing kpt #: 38 total cpu time spent up to now is 86.5 secs Computing kpt #: 39 total cpu time spent up to now is 88.6 secs Computing kpt #: 40 total cpu time spent up to now is 90.6 secs Computing kpt #: 41 total cpu time spent up to now is 92.8 secs Computing kpt #: 42 total cpu time spent up to now is 94.9 secs Computing kpt #: 43 total cpu time spent up to now is 97.1 secs Computing kpt #: 44 total cpu time spent up to now is 99.3 secs Computing kpt #: 45 total cpu time spent up to now is 101.5 secs Computing kpt #: 46 total cpu time spent up to now is 103.6 secs Computing kpt #: 47 total cpu time spent up to now is 105.7 secs Computing kpt #: 48 total cpu time spent up to now is 107.7 secs Computing kpt #: 49 total cpu time spent up to now is 109.9 secs Computing kpt #: 50 total cpu time spent up to now is 112.0 secs Computing kpt #: 51 total cpu time spent up to now is 114.0 secs Computing kpt #: 52 total cpu time spent up to now is 116.0 secs Computing kpt #: 53 total cpu time spent up to now is 118.0 secs Computing kpt #: 54 total cpu time spent up to now is 120.1 secs Computing kpt #: 55 total cpu time spent up to now is 122.2 secs Computing kpt #: 56 total cpu time spent up to now is 124.2 secs Computing kpt #: 57 total cpu time spent up to now is 126.3 secs Computing kpt #: 58 total cpu time spent up to now is 128.3 secs Computing kpt #: 59 total cpu time spent up to now is 130.9 secs Computing kpt #: 60 total cpu time spent up to now is 133.0 secs Computing kpt #: 61 total cpu time spent up to now is 135.1 secs Computing kpt #: 62 total cpu time spent up to now is 137.1 secs Computing kpt #: 63 total cpu time spent up to now is 139.3 secs Computing kpt #: 64 total cpu time spent up to now is 141.5 secs Computing kpt #: 65 total cpu time spent up to now is 143.6 secs Computing kpt #: 66 total cpu time spent up to now is 145.6 secs Computing kpt #: 67 total cpu time spent up to now is 147.8 secs Computing kpt #: 68 total cpu time spent up to now is 149.7 secs Computing kpt #: 69 total cpu time spent up to now is 151.8 secs Computing kpt #: 70 total cpu time spent up to now is 153.8 secs Computing kpt #: 71 total cpu time spent up to now is 155.9 secs Computing kpt #: 72 total cpu time spent up to now is 158.0 secs Computing kpt #: 73 total cpu time spent up to now is 160.0 secs Computing kpt #: 74 total cpu time spent up to now is 162.1 secs Computing kpt #: 75 total cpu time spent up to now is 164.1 secs Computing kpt #: 76 total cpu time spent up to now is 166.1 secs Computing kpt #: 77 total cpu time spent up to now is 168.1 secs Computing kpt #: 78 total cpu time spent up to now is 170.1 secs Computing kpt #: 79 total cpu time spent up to now is 172.2 secs Computing kpt #: 80 total cpu time spent up to now is 174.1 secs Computing kpt #: 81 total cpu time spent up to now is 176.2 secs Computing kpt #: 82 total cpu time spent up to now is 178.3 secs Computing kpt #: 83 total cpu time spent up to now is 180.2 secs Computing kpt #: 84 total cpu time spent up to now is 182.1 secs Computing kpt #: 85 total cpu time spent up to now is 184.0 secs Computing kpt #: 86 total cpu time spent up to now is 185.9 secs Computing kpt #: 87 total cpu time spent up to now is 188.0 secs Computing kpt #: 88 total cpu time spent up to now is 189.9 secs Computing kpt #: 89 total cpu time spent up to now is 191.8 secs Computing kpt #: 90 total cpu time spent up to now is 193.8 secs Computing kpt #: 91 total cpu time spent up to now is 195.9 secs Computing kpt #: 92 total cpu time spent up to now is 197.8 secs Computing kpt #: 93 total cpu time spent up to now is 199.9 secs Computing kpt #: 94 total cpu time spent up to now is 201.9 secs Computing kpt #: 95 total cpu time spent up to now is 204.0 secs Computing kpt #: 96 total cpu time spent up to now is 206.2 secs Computing kpt #: 97 total cpu time spent up to now is 208.7 secs Computing kpt #: 98 total cpu time spent up to now is 211.2 secs Computing kpt #: 99 total cpu time spent up to now is 213.8 secs Computing kpt #: 100 total cpu time spent up to now is 216.3 secs Computing kpt #: 101 total cpu time spent up to now is 218.4 secs Computing kpt #: 102 total cpu time spent up to now is 221.1 secs Computing kpt #: 103 total cpu time spent up to now is 223.6 secs Computing kpt #: 104 total cpu time spent up to now is 225.9 secs Computing kpt #: 105 total cpu time spent up to now is 228.1 secs Computing kpt #: 106 total cpu time spent up to now is 230.4 secs Computing kpt #: 107 total cpu time spent up to now is 232.6 secs Computing kpt #: 108 total cpu time spent up to now is 234.9 secs Computing kpt #: 109 total cpu time spent up to now is 236.9 secs Computing kpt #: 110 total cpu time spent up to now is 239.1 secs Computing kpt #: 111 total cpu time spent up to now is 241.4 secs Computing kpt #: 112 total cpu time spent up to now is 243.6 secs Computing kpt #: 113 total cpu time spent up to now is 245.9 secs Computing kpt #: 114 total cpu time spent up to now is 248.2 secs Computing kpt #: 115 total cpu time spent up to now is 250.4 secs Computing kpt #: 116 total cpu time spent up to now is 252.6 secs Computing kpt #: 117 total cpu time spent up to now is 254.8 secs Computing kpt #: 118 total cpu time spent up to now is 257.2 secs Computing kpt #: 119 total cpu time spent up to now is 259.4 secs Computing kpt #: 120 total cpu time spent up to now is 261.7 secs Computing kpt #: 121 total cpu time spent up to now is 264.0 secs Computing kpt #: 122 total cpu time spent up to now is 266.4 secs Computing kpt #: 123 total cpu time spent up to now is 268.6 secs Computing kpt #: 124 total cpu time spent up to now is 270.9 secs Computing kpt #: 125 total cpu time spent up to now is 273.4 secs Computing kpt #: 126 total cpu time spent up to now is 275.6 secs Computing kpt #: 127 total cpu time spent up to now is 277.9 secs Computing kpt #: 128 total cpu time spent up to now is 280.4 secs Computing kpt #: 129 total cpu time spent up to now is 282.7 secs Computing kpt #: 130 total cpu time spent up to now is 285.1 secs Computing kpt #: 131 total cpu time spent up to now is 287.4 secs Computing kpt #: 132 total cpu time spent up to now is 289.8 secs Computing kpt #: 133 total cpu time spent up to now is 292.3 secs Computing kpt #: 134 total cpu time spent up to now is 294.7 secs Computing kpt #: 135 total cpu time spent up to now is 297.2 secs Computing kpt #: 136 total cpu time spent up to now is 299.6 secs Computing kpt #: 137 total cpu time spent up to now is 301.8 secs Computing kpt #: 138 total cpu time spent up to now is 304.0 secs Computing kpt #: 139 total cpu time spent up to now is 306.3 secs Computing kpt #: 140 total cpu time spent up to now is 308.5 secs Computing kpt #: 141 total cpu time spent up to now is 311.1 secs Computing kpt #: 142 total cpu time spent up to now is 313.8 secs Computing kpt #: 143 total cpu time spent up to now is 316.1 secs Computing kpt #: 144 total cpu time spent up to now is 318.4 secs Computing kpt #: 145 total cpu time spent up to now is 320.6 secs Computing kpt #: 146 total cpu time spent up to now is 322.8 secs Computing kpt #: 147 total cpu time spent up to now is 325.0 secs Computing kpt #: 148 total cpu time spent up to now is 327.2 secs Computing kpt #: 149 total cpu time spent up to now is 329.4 secs Computing kpt #: 150 total cpu time spent up to now is 331.6 secs Computing kpt #: 151 total cpu time spent up to now is 333.8 secs Computing kpt #: 152 total cpu time spent up to now is 335.9 secs Computing kpt #: 153 total cpu time spent up to now is 337.9 secs Computing kpt #: 154 total cpu time spent up to now is 340.1 secs Computing kpt #: 155 total cpu time spent up to now is 342.3 secs Computing kpt #: 156 total cpu time spent up to now is 344.4 secs Computing kpt #: 157 total cpu time spent up to now is 346.6 secs Computing kpt #: 158 total cpu time spent up to now is 348.7 secs Computing kpt #: 159 total cpu time spent up to now is 350.9 secs Computing kpt #: 160 total cpu time spent up to now is 353.1 secs Computing kpt #: 161 total cpu time spent up to now is 355.2 secs Computing kpt #: 162 total cpu time spent up to now is 357.5 secs Computing kpt #: 163 total cpu time spent up to now is 359.7 secs Computing kpt #: 164 total cpu time spent up to now is 361.9 secs Computing kpt #: 165 total cpu time spent up to now is 364.1 secs Computing kpt #: 166 total cpu time spent up to now is 366.3 secs Computing kpt #: 167 total cpu time spent up to now is 368.5 secs Computing kpt #: 168 total cpu time spent up to now is 371.1 secs Computing kpt #: 169 total cpu time spent up to now is 373.6 secs Computing kpt #: 170 total cpu time spent up to now is 376.1 secs Computing kpt #: 171 total cpu time spent up to now is 378.7 secs Computing kpt #: 172 total cpu time spent up to now is 381.0 secs Computing kpt #: 173 total cpu time spent up to now is 383.4 secs Computing kpt #: 174 total cpu time spent up to now is 385.8 secs Computing kpt #: 175 total cpu time spent up to now is 388.5 secs Computing kpt #: 176 total cpu time spent up to now is 390.9 secs Computing kpt #: 177 total cpu time spent up to now is 393.1 secs Computing kpt #: 178 total cpu time spent up to now is 395.2 secs Computing kpt #: 179 total cpu time spent up to now is 397.4 secs Computing kpt #: 180 total cpu time spent up to now is 399.8 secs Computing kpt #: 181 total cpu time spent up to now is 401.9 secs Computing kpt #: 182 total cpu time spent up to now is 403.9 secs Computing kpt #: 183 total cpu time spent up to now is 406.1 secs Computing kpt #: 184 total cpu time spent up to now is 408.2 secs Computing kpt #: 185 total cpu time spent up to now is 410.4 secs Computing kpt #: 186 total cpu time spent up to now is 412.4 secs Computing kpt #: 187 total cpu time spent up to now is 414.6 secs Computing kpt #: 188 total cpu time spent up to now is 416.8 secs Computing kpt #: 189 total cpu time spent up to now is 419.0 secs Computing kpt #: 190 total cpu time spent up to now is 421.5 secs Computing kpt #: 191 total cpu time spent up to now is 424.0 secs Computing kpt #: 192 total cpu time spent up to now is 426.4 secs Computing kpt #: 193 total cpu time spent up to now is 429.1 secs Computing kpt #: 194 total cpu time spent up to now is 432.2 secs Computing kpt #: 195 total cpu time spent up to now is 434.6 secs Computing kpt #: 196 total cpu time spent up to now is 437.1 secs Computing kpt #: 197 total cpu time spent up to now is 439.1 secs Computing kpt #: 198 total cpu time spent up to now is 441.2 secs Computing kpt #: 199 total cpu time spent up to now is 443.3 secs Computing kpt #: 200 total cpu time spent up to now is 445.3 secs Computing kpt #: 201 total cpu time spent up to now is 447.6 secs Computing kpt #: 202 total cpu time spent up to now is 450.0 secs Computing kpt #: 203 total cpu time spent up to now is 452.1 secs Computing kpt #: 204 total cpu time spent up to now is 454.1 secs Computing kpt #: 205 total cpu time spent up to now is 456.4 secs Computing kpt #: 206 total cpu time spent up to now is 458.5 secs Computing kpt #: 207 total cpu time spent up to now is 460.6 secs Computing kpt #: 208 total cpu time spent up to now is 463.1 secs Computing kpt #: 209 total cpu time spent up to now is 465.5 secs Computing kpt #: 210 total cpu time spent up to now is 467.8 secs Computing kpt #: 211 total cpu time spent up to now is 469.9 secs Computing kpt #: 212 total cpu time spent up to now is 472.0 secs Computing kpt #: 213 total cpu time spent up to now is 474.1 secs Computing kpt #: 214 total cpu time spent up to now is 476.2 secs Computing kpt #: 215 total cpu time spent up to now is 478.2 secs Computing kpt #: 216 total cpu time spent up to now is 480.4 secs Computing kpt #: 217 total cpu time spent up to now is 482.5 secs Computing kpt #: 218 total cpu time spent up to now is 484.9 secs Computing kpt #: 219 total cpu time spent up to now is 487.1 secs Computing kpt #: 220 total cpu time spent up to now is 489.4 secs Computing kpt #: 221 total cpu time spent up to now is 492.0 secs ethr = 1.52E-08, avg # of iterations = 18.2 total cpu time spent up to now is 492.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11259 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5119 -23.5119 -23.5044 -23.5044 -23.2681 -23.2681 -8.0496 -8.0496 -7.1844 -7.1844 -7.1837 -7.1837 -7.1065 -7.1065 -7.0992 -7.0992 -7.0414 -7.0414 0.0505 0.0505 0.2843 0.2843 0.9648 0.9648 1.4150 1.4150 1.8153 1.8153 1.8282 1.8282 2.2324 2.2324 2.3199 2.3199 2.4191 2.4191 2.4643 2.4643 2.6927 2.6927 2.7956 2.7956 2.8512 2.8512 3.2370 3.2370 3.4073 3.4073 3.5148 3.5148 4.5903 4.5903 4.6787 4.6787 5.3653 5.3653 7.3091 7.3091 7.5289 7.5289 7.6477 7.6477 7.7002 7.7002 8.1307 8.1307 8.3693 8.3693 8.4742 8.4742 k = 0.0192 0.0111-0.0000 ( 11257 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1576 -31.1576 -23.5594 -23.5594 -23.5120 -23.5120 -23.5044 -23.5044 -23.2681 -23.2681 -8.0490 -8.0490 -7.1847 -7.1847 -7.1841 -7.1841 -7.1061 -7.1061 -7.0994 -7.0994 -7.0418 -7.0418 0.0512 0.0512 0.2852 0.2852 0.9653 0.9653 1.4147 1.4147 1.8148 1.8148 1.8293 1.8293 2.2332 2.2332 2.3187 2.3187 2.4192 2.4192 2.4654 2.4654 2.6920 2.6920 2.7944 2.7944 2.8517 2.8517 3.2362 3.2362 3.4042 3.4042 3.5188 3.5188 4.5861 4.5861 4.6764 4.6764 5.3658 5.3658 7.3081 7.3081 7.5282 7.5282 7.6476 7.6476 7.7001 7.7001 8.1337 8.1337 8.3708 8.3708 8.4757 8.4757 k = 0.0385 0.0222-0.0000 ( 11260 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2681 -23.2681 -8.0472 -8.0472 -7.1854 -7.1854 -7.1852 -7.1852 -7.1052 -7.1052 -7.0999 -7.0999 -7.0430 -7.0430 0.0534 0.0534 0.2879 0.2879 0.9669 0.9669 1.4138 1.4138 1.8131 1.8131 1.8326 1.8326 2.2357 2.2357 2.3154 2.3154 2.4195 2.4195 2.4687 2.4687 2.6898 2.6898 2.7912 2.7912 2.8530 2.8530 3.2338 3.2338 3.3956 3.3956 3.5301 3.5301 4.5733 4.5733 4.6699 4.6699 5.3671 5.3671 7.3053 7.3053 7.5261 7.5261 7.6474 7.6474 7.6998 7.6998 8.1427 8.1427 8.3753 8.3753 8.4805 8.4805 k = 0.0577 0.0333-0.0000 ( 11260 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2681 -23.2681 -8.0442 -8.0442 -7.1872 -7.1872 -7.1864 -7.1864 -7.1046 -7.1046 -7.1000 -7.1000 -7.0448 -7.0448 0.0571 0.0571 0.2922 0.2922 0.9696 0.9696 1.4127 1.4127 1.8103 1.8103 1.8380 1.8380 2.2395 2.2395 2.3102 2.3102 2.4201 2.4201 2.4740 2.4740 2.6855 2.6855 2.7872 2.7872 2.8544 2.8544 3.2295 3.2295 3.3832 3.3832 3.5470 3.5470 4.5518 4.5518 4.6601 4.6601 5.3690 5.3690 7.3003 7.3003 7.5225 7.5225 7.6469 7.6469 7.6994 7.6994 8.1573 8.1573 8.3826 8.3826 8.4888 8.4888 k = 0.0769 0.0444-0.0000 ( 11268 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1576 -31.1576 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2680 -23.2680 -8.0401 -8.0401 -7.1898 -7.1898 -7.1877 -7.1877 -7.1055 -7.1055 -7.0987 -7.0987 -7.0473 -7.0473 0.0622 0.0622 0.2983 0.2983 0.9732 0.9732 1.4115 1.4115 1.8062 1.8062 1.8449 1.8449 2.2444 2.2444 2.3036 2.3036 2.4208 2.4208 2.4812 2.4812 2.6787 2.6787 2.7840 2.7840 2.8553 2.8553 3.2232 3.2232 3.3684 3.3684 3.5684 3.5684 4.5221 4.5221 4.6479 4.6479 5.3710 5.3710 7.2930 7.2930 7.5175 7.5175 7.6463 7.6463 7.6987 7.6987 8.1767 8.1767 8.3928 8.3928 8.5012 8.5012 k = 0.0962 0.0555-0.0000 ( 11274 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2681 -23.2681 -8.0348 -8.0348 -7.1932 -7.1932 -7.1894 -7.1894 -7.1077 -7.1077 -7.0963 -7.0963 -7.0501 -7.0501 0.0687 0.0687 0.3061 0.3061 0.9778 0.9778 1.4108 1.4108 1.8011 1.8011 1.8530 1.8530 2.2494 2.2494 2.2966 2.2966 2.4216 2.4216 2.4900 2.4900 2.6689 2.6689 2.7829 2.7829 2.8552 2.8552 3.2142 3.2142 3.3525 3.3525 3.5933 3.5933 4.4851 4.4851 4.6336 4.6336 5.3728 5.3728 7.2832 7.2832 7.5113 7.5113 7.6456 7.6456 7.6978 7.6978 8.1997 8.1997 8.4063 8.4063 8.5183 8.5183 k = 0.1154 0.0666-0.0000 ( 11284 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2680 -23.2680 -8.0285 -8.0285 -7.1974 -7.1974 -7.1911 -7.1911 -7.1106 -7.1106 -7.0937 -7.0937 -7.0530 -7.0530 0.0764 0.0764 0.3155 0.3155 0.9834 0.9834 1.4110 1.4110 1.7949 1.7949 1.8617 1.8617 2.2520 2.2520 2.2915 2.2915 2.4226 2.4226 2.5002 2.5002 2.6561 2.6561 2.7846 2.7846 2.8537 2.8537 3.2016 3.2016 3.3371 3.3371 3.6213 3.6213 4.4422 4.4422 4.6176 4.6176 5.3740 5.3740 7.2704 7.2704 7.5039 7.5039 7.6447 7.6447 7.6967 7.6967 8.2245 8.2245 8.4242 8.4242 8.5405 8.5405 k = 0.1346 0.0777-0.0000 ( 11286 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1577 -31.1577 -23.5596 -23.5596 -23.5120 -23.5120 -23.5044 -23.5044 -23.2680 -23.2680 -8.0210 -8.0210 -7.2025 -7.2025 -7.1929 -7.1929 -7.1140 -7.1140 -7.0916 -7.0916 -7.0555 -7.0555 0.0852 0.0852 0.3264 0.3264 0.9899 0.9899 1.4125 1.4125 1.7878 1.7878 1.8705 1.8705 2.2488 2.2488 2.2916 2.2916 2.4236 2.4236 2.5112 2.5112 2.6411 2.6411 2.7892 2.7892 2.8504 2.8504 3.1843 3.1843 3.3237 3.3237 3.6516 3.6516 4.3949 4.3949 4.6001 4.6001 5.3742 5.3742 7.2544 7.2544 7.4957 7.4957 7.6438 7.6438 7.6954 7.6954 8.2484 8.2484 8.4484 8.4484 8.5677 8.5677 k = 0.1538 0.0888-0.0000 ( 11294 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -8.0125 -8.0125 -7.2086 -7.2086 -7.1947 -7.1947 -7.1179 -7.1179 -7.0904 -7.0904 -7.0570 -7.0570 0.0950 0.0950 0.3389 0.3389 0.9974 0.9974 1.4156 1.4156 1.7798 1.7798 1.8790 1.8790 2.2390 2.2390 2.2974 2.2974 2.4249 2.4249 2.5224 2.5224 2.6252 2.6252 2.7966 2.7966 2.8450 2.8450 3.1614 3.1614 3.3141 3.3141 3.6836 3.6836 4.3449 4.3449 4.5812 4.5812 5.3734 5.3734 7.2349 7.2349 7.4869 7.4869 7.6427 7.6427 7.6938 7.6938 8.2691 8.2691 8.4811 8.4811 8.5997 8.5997 k = 0.1731 0.0999-0.0000 ( 11294 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -8.0030 -8.0030 -7.2158 -7.2158 -7.1963 -7.1963 -7.1220 -7.1220 -7.0909 -7.0909 -7.0570 -7.0570 0.1057 0.1057 0.3528 0.3528 1.0058 1.0058 1.4205 1.4205 1.7711 1.7711 1.8869 1.8869 2.2251 2.2251 2.3058 2.3058 2.4264 2.4264 2.5320 2.5320 2.6108 2.6108 2.8060 2.8060 2.8376 2.8376 3.1326 3.1326 3.3089 3.3089 3.7167 3.7167 4.2938 4.2938 4.5611 4.5611 5.3713 5.3713 7.2117 7.2117 7.4778 7.4778 7.6416 7.6416 7.6920 7.6920 8.2851 8.2851 8.5231 8.5231 8.6363 8.6363 k = 0.1923 0.1110-0.0000 ( 11310 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2680 -23.2680 -7.9926 -7.9926 -7.2241 -7.2241 -7.1977 -7.1977 -7.1262 -7.1262 -7.0929 -7.0929 -7.0555 -7.0555 0.1170 0.1170 0.3679 0.3679 1.0153 1.0153 1.4275 1.4275 1.7618 1.7618 1.8940 1.8940 2.2088 2.2088 2.3151 2.3151 2.4282 2.4282 2.5361 2.5361 2.6022 2.6022 2.8147 2.8147 2.8302 2.8302 3.0987 3.0987 3.3084 3.3084 3.7498 3.7498 4.2433 4.2433 4.5400 4.5400 5.3681 5.3681 7.1849 7.1849 7.4687 7.4687 7.6404 7.6404 7.6900 7.6900 8.2965 8.2965 8.5740 8.5740 8.6772 8.6772 k = 0.2115 0.1221-0.0000 ( 11302 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5122 -23.5122 -23.5045 -23.5045 -23.2680 -23.2680 -7.9814 -7.9814 -7.2337 -7.2337 -7.1989 -7.1989 -7.1305 -7.1305 -7.0963 -7.0963 -7.0527 -7.0527 0.1288 0.1288 0.3843 0.3843 1.0260 1.0260 1.4364 1.4364 1.7520 1.7520 1.9003 1.9003 2.1907 2.1907 2.3240 2.3240 2.4302 2.4302 2.5304 2.5304 2.6040 2.6040 2.8093 2.8093 2.8353 2.8353 3.0613 3.0613 3.3123 3.3123 3.7819 3.7819 4.1951 4.1951 4.5184 4.5184 5.3636 5.3636 7.1545 7.1545 7.4598 7.4598 7.6391 7.6391 7.6878 7.6878 8.3042 8.3042 8.6320 8.6320 8.7220 8.7220 k = 0.2308 0.1332-0.0000 ( 11312 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5596 -23.5596 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9694 -7.9694 -7.2444 -7.2444 -7.1998 -7.1998 -7.1346 -7.1346 -7.1005 -7.1005 -7.0491 -7.0491 0.1409 0.1409 0.4017 0.4017 1.0381 1.0381 1.4472 1.4472 1.7417 1.7417 1.9059 1.9059 2.1714 2.1714 2.3320 2.3320 2.4322 2.4322 2.5171 2.5171 2.6144 2.6144 2.7943 2.7943 2.8466 2.8466 3.0228 3.0228 3.3201 3.3201 3.8111 3.8111 4.1516 4.1516 4.4963 4.4963 5.3581 5.3581 7.1209 7.1209 7.4513 7.4513 7.6378 7.6378 7.6856 7.6856 8.3091 8.3091 8.6951 8.6951 8.7711 8.7711 k = 0.2500 0.1443-0.0000 ( 11300 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9567 -7.9567 -7.2563 -7.2563 -7.2004 -7.2004 -7.1386 -7.1386 -7.1053 -7.1053 -7.0452 -7.0452 0.1530 0.1530 0.4199 0.4199 1.0517 1.0517 1.4597 1.4597 1.7312 1.7312 1.9108 1.9108 2.1512 2.1512 2.3385 2.3385 2.4341 2.4341 2.5009 2.5009 2.6285 2.6285 2.7760 2.7760 2.8540 2.8540 2.9880 2.9880 3.3314 3.3314 3.8347 3.8347 4.1156 4.1156 4.4741 4.4741 5.3516 5.3516 7.0845 7.0845 7.4431 7.4431 7.6363 7.6363 7.6832 7.6832 8.3122 8.3122 8.7601 8.7601 8.8254 8.8254 k = 0.2692 0.1554-0.0000 ( 11286 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9434 -7.9434 -7.2692 -7.2692 -7.2006 -7.2006 -7.1424 -7.1424 -7.1103 -7.1103 -7.0411 -7.0411 0.1649 0.1649 0.4389 0.4389 1.0669 1.0669 1.4734 1.4734 1.7205 1.7205 1.9154 1.9154 2.1306 2.1306 2.3431 2.3431 2.4353 2.4353 2.4846 2.4846 2.6439 2.6439 2.7554 2.7554 2.8482 2.8482 2.9664 2.9664 3.3457 3.3457 3.8488 3.8488 4.0913 4.0913 4.4522 4.4522 5.3442 5.3442 7.0461 7.0461 7.4354 7.4354 7.6348 7.6348 7.6808 7.6808 8.3140 8.3140 8.8232 8.8232 8.8867 8.8867 k = 0.2885 0.1665-0.0000 ( 11280 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9297 -7.9297 -7.2829 -7.2829 -7.2005 -7.2005 -7.1458 -7.1458 -7.1154 -7.1154 -7.0370 -7.0370 0.1764 0.1764 0.4582 0.4582 1.0838 1.0838 1.4877 1.4877 1.7098 1.7098 1.9199 1.9199 2.1102 2.1102 2.3453 2.3453 2.4345 2.4345 2.4700 2.4700 2.6588 2.6588 2.7331 2.7331 2.8232 2.8232 2.9648 2.9648 3.3627 3.3627 3.8501 3.8501 4.0821 4.0821 4.4309 4.4309 5.3362 5.3362 7.0063 7.0063 7.4282 7.4282 7.6333 7.6333 7.6784 7.6784 8.3149 8.3149 8.8818 8.8818 8.9560 8.9560 k = 0.3077 0.1776-0.0000 ( 11292 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9158 -7.9158 -7.2971 -7.2971 -7.2001 -7.2001 -7.1490 -7.1490 -7.1207 -7.1207 -7.0331 -7.0331 0.1873 0.1873 0.4778 0.4778 1.1025 1.1025 1.5022 1.5022 1.6993 1.6993 1.9247 1.9247 2.0904 2.0904 2.3447 2.3447 2.4304 2.4304 2.4589 2.4589 2.6709 2.6709 2.7100 2.7100 2.7881 2.7881 2.9763 2.9763 3.3816 3.3816 3.8390 3.8390 4.0875 4.0875 4.4103 4.4103 5.3278 5.3278 6.9659 6.9659 7.4215 7.4215 7.6318 7.6318 7.6761 7.6761 8.3152 8.3152 8.9360 8.9360 9.0309 9.0309 k = 0.3269 0.1887-0.0000 ( 11296 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5596 -23.5596 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9017 -7.9017 -7.3118 -7.3118 -7.1993 -7.1993 -7.1518 -7.1518 -7.1260 -7.1260 -7.0293 -7.0293 0.1974 0.1974 0.4973 0.4973 1.1228 1.1228 1.5158 1.5158 1.6893 1.6893 1.9300 1.9300 2.0720 2.0720 2.3405 2.3405 2.4222 2.4222 2.4519 2.4519 2.6738 2.6738 2.6882 2.6882 2.7563 2.7563 2.9931 2.9931 3.4020 3.4020 3.8200 3.8200 4.1027 4.1027 4.3909 4.3909 5.3191 5.3191 6.9256 6.9256 7.4152 7.4152 7.6302 7.6302 7.6739 7.6739 8.3152 8.3152 8.9871 8.9871 9.1082 9.1082 k = 0.3462 0.1999-0.0000 ( 11290 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8878 -7.8878 -7.3264 -7.3264 -7.1981 -7.1981 -7.1543 -7.1543 -7.1312 -7.1312 -7.0258 -7.0258 0.2066 0.2066 0.5163 0.5163 1.1445 1.1445 1.5279 1.5279 1.6802 1.6802 1.9360 1.9360 2.0558 2.0558 2.3320 2.3320 2.4116 2.4116 2.4472 2.4472 2.6569 2.6569 2.6687 2.6687 2.7427 2.7427 3.0114 3.0114 3.4231 3.4231 3.7978 3.7978 4.1229 4.1229 4.3728 4.3728 5.3104 5.3104 6.8864 6.8864 7.4095 7.4095 7.6287 7.6287 7.6718 7.6718 8.3149 8.3149 9.0352 9.0352 9.1853 9.1853 k = 0.3654 0.2110-0.0000 ( 11286 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2679 -23.2679 -7.8743 -7.8743 -7.3408 -7.3408 -7.1966 -7.1966 -7.1566 -7.1566 -7.1364 -7.1364 -7.0226 -7.0226 0.2148 0.2148 0.5345 0.5345 1.1672 1.1672 1.5375 1.5375 1.6725 1.6725 1.9423 1.9423 2.0431 2.0431 2.3189 2.3189 2.3991 2.3991 2.4435 2.4435 2.6298 2.6298 2.6465 2.6465 2.7461 2.7461 3.0294 3.0294 3.4443 3.4443 3.7756 3.7756 4.1444 4.1444 4.3563 4.3563 5.3020 5.3020 6.8492 6.8492 7.4044 7.4044 7.6273 7.6273 7.6698 7.6698 8.3145 8.3145 9.0801 9.0801 9.2584 9.2584 k = 0.3846 0.2221-0.0000 ( 11278 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2679 -23.2679 -7.8615 -7.8615 -7.3545 -7.3545 -7.1948 -7.1948 -7.1585 -7.1585 -7.1414 -7.1414 -7.0198 -7.0198 0.2220 0.2220 0.5516 0.5516 1.1903 1.1903 1.5439 1.5439 1.6664 1.6664 1.9480 1.9480 2.0353 2.0353 2.3018 2.3018 2.3836 2.3836 2.4413 2.4413 2.5999 2.5999 2.6281 2.6281 2.7550 2.7550 3.0461 3.0461 3.4648 3.4648 3.7550 3.7550 4.1654 4.1654 4.3418 4.3418 5.2940 5.2940 6.8147 6.8147 7.3999 7.3999 7.6259 7.6259 7.6681 7.6681 8.3140 8.3140 9.1211 9.1211 9.3186 9.3186 k = 0.4038 0.2332-0.0000 ( 11288 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8497 -7.8497 -7.3671 -7.3671 -7.1927 -7.1927 -7.1602 -7.1602 -7.1462 -7.1462 -7.0173 -7.0173 0.2280 0.2280 0.5670 0.5670 1.2130 1.2130 1.5472 1.5472 1.6620 1.6620 1.9516 1.9516 2.0346 2.0346 2.2814 2.2814 2.3648 2.3648 2.4413 2.4413 2.5720 2.5720 2.6141 2.6141 2.7645 2.7645 3.0609 3.0609 3.4837 3.4837 3.7371 3.7371 4.1843 4.1843 4.3293 4.3293 5.2868 5.2868 6.7838 6.7838 7.3960 7.3960 7.6247 7.6247 7.6666 7.6666 8.3135 8.3135 9.1576 9.1576 9.3453 9.3453 k = 0.4231 0.2443-0.0000 ( 11280 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8393 -7.8393 -7.3783 -7.3783 -7.1905 -7.1905 -7.1615 -7.1615 -7.1507 -7.1507 -7.0153 -7.0153 0.2330 0.2330 0.5804 0.5804 1.2342 1.2342 1.5478 1.5478 1.6591 1.6591 1.9522 1.9522 2.0416 2.0416 2.2587 2.2587 2.3442 2.3442 2.4436 2.4436 2.5477 2.5477 2.6040 2.6040 2.7732 2.7732 3.0734 3.0734 3.5003 3.5003 3.7224 3.7224 4.2005 4.2005 4.3190 4.3190 5.2804 5.2804 6.7573 6.7573 7.3928 7.3928 7.6237 7.6237 7.6653 7.6653 8.3131 8.3131 9.1888 9.1888 9.3518 9.3518 k = 0.4423 0.2554-0.0000 ( 11278 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8306 -7.8306 -7.3876 -7.3876 -7.1881 -7.1881 -7.1626 -7.1626 -7.1548 -7.1548 -7.0137 -7.0137 0.2368 0.2368 0.5913 0.5913 1.2528 1.2528 1.5467 1.5467 1.6572 1.6572 1.9505 1.9505 2.0550 2.0550 2.2350 2.2350 2.3244 2.3244 2.4477 2.4477 2.5271 2.5271 2.5972 2.5972 2.7804 2.7804 3.0834 3.0834 3.5139 3.5139 3.7109 3.7109 4.2134 4.2134 4.3111 4.3111 5.2753 5.2753 6.7360 6.7360 7.3902 7.3902 7.6229 7.6229 7.6643 7.6643 8.3127 8.3127 9.2140 9.2140 9.3540 9.3540 k = 0.4615 0.2665-0.0000 ( 11286 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8241 -7.8241 -7.3946 -7.3946 -7.1859 -7.1859 -7.1634 -7.1634 -7.1582 -7.1582 -7.0125 -7.0125 0.2395 0.2395 0.5994 0.5994 1.2674 1.2674 1.5450 1.5450 1.6559 1.6559 1.9483 1.9483 2.0717 2.0717 2.2119 2.2119 2.3080 2.3080 2.4532 2.4532 2.5103 2.5103 2.5929 2.5929 2.7858 2.7858 3.0905 3.0905 3.5239 3.5239 3.7028 3.7028 4.2226 4.2226 4.3056 4.3056 5.2715 5.2715 6.7202 6.7202 7.3884 7.3884 7.6223 7.6223 7.6636 7.6636 8.3125 8.3125 9.2324 9.2324 9.3550 9.3550 k = 0.4808 0.2776-0.0000 ( 11276 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8200 -7.8200 -7.3990 -7.3990 -7.1843 -7.1843 -7.1639 -7.1639 -7.1606 -7.1606 -7.0118 -7.0118 0.2411 0.2411 0.6044 0.6044 1.2767 1.2767 1.5435 1.5435 1.6551 1.6551 1.9466 1.9466 2.0873 2.0873 2.1930 2.1930 2.2972 2.2972 2.4590 2.4590 2.4978 2.4978 2.5906 2.5906 2.7891 2.7891 3.0949 3.0949 3.5301 3.5301 3.6980 3.6980 4.2281 4.2281 4.3025 4.3025 5.2691 5.2691 6.7106 6.7106 7.3872 7.3872 7.6219 7.6219 7.6631 7.6631 8.3123 8.3123 9.2438 9.2438 9.3554 9.3554 k = 0.5000 0.2887-0.0000 ( 11290 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8186 -7.8186 -7.4004 -7.4004 -7.1836 -7.1836 -7.1642 -7.1642 -7.1614 -7.1614 -7.0116 -7.0116 0.2416 0.2416 0.6061 0.6061 1.2800 1.2800 1.5430 1.5430 1.6548 1.6548 1.9460 1.9460 2.0943 2.0943 2.1849 2.1849 2.2935 2.2935 2.4620 2.4620 2.4926 2.4926 2.5898 2.5898 2.7902 2.7902 3.0963 3.0963 3.5322 3.5322 3.6964 3.6964 4.2299 4.2299 4.3015 4.3015 5.2683 5.2683 6.7074 6.7074 7.3869 7.3869 7.6218 7.6218 7.6630 7.6630 8.3122 8.3122 9.2476 9.2476 9.3555 9.3555 k = 0.5000 0.2887-0.0000 ( 11290 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8186 -7.8186 -7.4004 -7.4004 -7.1836 -7.1836 -7.1642 -7.1642 -7.1614 -7.1614 -7.0116 -7.0116 0.2416 0.2416 0.6061 0.6061 1.2800 1.2800 1.5430 1.5430 1.6548 1.6548 1.9460 1.9460 2.0943 2.0943 2.1849 2.1849 2.2935 2.2935 2.4620 2.4620 2.4926 2.4926 2.5898 2.5898 2.7902 2.7902 3.0963 3.0963 3.5322 3.5322 3.6964 3.6964 4.2299 4.2299 4.3015 4.3015 5.2683 5.2683 6.7074 6.7074 7.3869 7.3869 7.6218 7.6218 7.6630 7.6630 8.3122 8.3122 9.2476 9.2476 9.3555 9.3555 k = 0.4889 0.3079-0.0000 ( 11272 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1575 -31.1575 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2679 -23.2679 -7.8183 -7.8183 -7.4002 -7.4002 -7.1880 -7.1880 -7.1615 -7.1615 -7.1603 -7.1603 -7.0116 -7.0116 0.2430 0.2430 0.6066 0.6066 1.2792 1.2792 1.5437 1.5437 1.6551 1.6551 1.9452 1.9452 2.0921 2.0921 2.1672 2.1672 2.3104 2.3104 2.4513 2.4513 2.4976 2.4976 2.5993 2.5993 2.7907 2.7907 3.0960 3.0960 3.5322 3.5322 3.6950 3.6950 4.2278 4.2278 4.3028 4.3028 5.2677 5.2677 6.7086 6.7086 7.3844 7.3844 7.6215 7.6215 7.6630 7.6630 8.3163 8.3163 9.2458 9.2458 9.3585 9.3585 k = 0.4778 0.3272-0.0000 ( 11280 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2679 -23.2679 -7.8172 -7.8172 -7.3996 -7.3996 -7.1970 -7.1970 -7.1610 -7.1610 -7.1539 -7.1539 -7.0116 -7.0116 0.2469 0.2469 0.6081 0.6081 1.2772 1.2772 1.5458 1.5458 1.6559 1.6559 1.9427 1.9427 2.0856 2.0856 2.1303 2.1303 2.3447 2.3447 2.4280 2.4280 2.5094 2.5094 2.6218 2.6218 2.7923 2.7923 3.0951 3.0951 3.5324 3.5324 3.6906 3.6906 4.2216 4.2216 4.3068 4.3068 5.2661 5.2661 6.7124 6.7124 7.3769 7.3769 7.6205 7.6205 7.6630 7.6630 8.3284 8.3284 9.2406 9.2406 9.3673 9.3673 k = 0.4667 0.3464-0.0000 ( 11293 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8154 -7.8154 -7.3985 -7.3985 -7.2077 -7.2077 -7.1604 -7.1604 -7.1471 -7.1471 -7.0116 -7.0116 0.2534 0.2534 0.6106 0.6106 1.2739 1.2739 1.5492 1.5492 1.6570 1.6570 1.9381 1.9381 2.0754 2.0754 2.0886 2.0886 2.3789 2.3789 2.4041 2.4041 2.5266 2.5266 2.6492 2.6492 2.7956 2.7956 3.0936 3.0936 3.5327 3.5327 3.6836 3.6836 4.2117 4.2117 4.3130 4.3130 5.2634 5.2634 6.7185 6.7185 7.3645 7.3645 7.6191 7.6191 7.6631 7.6631 8.3485 8.3485 9.2320 9.2320 9.3820 9.3820 k = 0.4556 0.3657-0.0000 ( 11281 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8129 -7.8129 -7.3970 -7.3970 -7.2192 -7.2192 -7.1595 -7.1595 -7.1411 -7.1411 -7.0116 -7.0116 0.2622 0.2622 0.6139 0.6139 1.2699 1.2699 1.5536 1.5536 1.6584 1.6584 1.9307 1.9307 2.0470 2.0470 2.0626 2.0626 2.3674 2.3674 2.4248 2.4248 2.5485 2.5485 2.6763 2.6763 2.8015 2.8015 3.0915 3.0915 3.5333 3.5333 3.6743 3.6743 4.1985 4.1985 4.3213 4.3213 5.2597 5.2597 6.7269 6.7269 7.3475 7.3475 7.6173 7.6173 7.6631 7.6631 8.3762 8.3762 9.2202 9.2202 9.4022 9.4022 k = 0.4444 0.3849-0.0000 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8099 -7.8099 -7.3950 -7.3950 -7.2312 -7.2312 -7.1584 -7.1584 -7.1359 -7.1359 -7.0116 -7.0116 0.2730 0.2730 0.6180 0.6180 1.2654 1.2654 1.5590 1.5590 1.6600 1.6600 1.9184 1.9184 2.0096 2.0096 2.0477 2.0477 2.3404 2.3404 2.4598 2.4598 2.5740 2.5740 2.6996 2.6996 2.8114 2.8114 3.0888 3.0888 3.5343 3.5343 3.6631 3.6631 4.1824 4.1824 4.3311 4.3311 5.2553 5.2553 6.7375 6.7375 7.3261 7.3261 7.6154 7.6154 7.6632 7.6632 8.4112 8.4112 9.2053 9.2053 9.4273 9.4273 k = 0.4333 0.4041-0.0000 ( 11277 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5594 -23.5594 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8063 -7.8063 -7.3927 -7.3927 -7.2436 -7.2436 -7.1571 -7.1571 -7.1318 -7.1318 -7.0114 -7.0114 0.2853 0.2853 0.6228 0.6228 1.2611 1.2611 1.5650 1.5650 1.6614 1.6614 1.8981 1.8981 1.9804 1.9804 2.0319 2.0319 2.3145 2.3145 2.4933 2.4933 2.6016 2.6016 2.7170 2.7170 2.8265 2.8265 3.0854 3.0854 3.5357 3.5357 3.6506 3.6506 4.1642 4.1642 4.3420 4.3420 5.2502 5.2502 6.7500 6.7500 7.3008 7.3008 7.6136 7.6136 7.6632 7.6632 8.4530 8.4530 9.1877 9.1877 9.4556 9.4556 k = 0.4222 0.4234-0.0000 ( 11281 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8024 -7.8024 -7.3901 -7.3901 -7.2561 -7.2561 -7.1556 -7.1556 -7.1287 -7.1287 -7.0110 -7.0110 0.2987 0.2987 0.6282 0.6282 1.2573 1.2573 1.5716 1.5716 1.6623 1.6623 1.8687 1.8687 1.9610 1.9610 2.0159 2.0159 2.2910 2.2910 2.5245 2.5245 2.6295 2.6295 2.7284 2.7284 2.8461 2.8461 3.0815 3.0815 3.5376 3.5376 3.6374 3.6374 4.1445 4.1445 4.3536 4.3536 5.2446 5.2446 6.7641 6.7641 7.2724 7.2724 7.6118 7.6118 7.6631 7.6631 8.5009 8.5009 9.1676 9.1676 9.4786 9.4786 k = 0.4111 0.4426-0.0000 ( 11297 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.7981 -7.7981 -7.3872 -7.3872 -7.2686 -7.2686 -7.1539 -7.1539 -7.1266 -7.1266 -7.0106 -7.0106 0.3127 0.3127 0.6338 0.6338 1.2546 1.2546 1.5784 1.5784 1.6626 1.6626 1.8342 1.8342 1.9481 1.9481 2.0008 2.0008 2.2702 2.2702 2.5536 2.5536 2.6557 2.6557 2.7356 2.7356 2.8681 2.8681 3.0771 3.0771 3.5399 3.5399 3.6242 3.6242 4.1241 4.1241 4.3653 4.3653 5.2389 5.2389 6.7795 6.7795 7.2417 7.2417 7.6103 7.6103 7.6630 7.6630 8.5541 8.5541 9.1453 9.1453 9.4771 9.4771 k = 0.4000 0.4619-0.0000 ( 11285 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5594 -23.5594 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.7937 -7.7937 -7.3840 -7.3840 -7.2808 -7.2808 -7.1520 -7.1520 -7.1255 -7.1255 -7.0100 -7.0100 0.3265 0.3265 0.6397 0.6397 1.2534 1.2534 1.5854 1.5854 1.6618 1.6618 1.7989 1.7989 1.9377 1.9377 1.9877 1.9877 2.2524 2.2524 2.5807 2.5807 2.6780 2.6780 2.7409 2.7409 2.8903 2.8903 3.0724 3.0724 3.5426 3.5426 3.6116 3.6116 4.1039 4.1039 4.3768 4.3768 5.2332 5.2332 6.7959 6.7959 7.2100 7.2100 7.6089 7.6089 7.6628 7.6628 8.6115 8.6115 9.1212 9.1212 9.4595 9.4595 k = 0.3889 0.4811-0.0000 ( 11293 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5594 -23.5594 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.7893 -7.7893 -7.3807 -7.3807 -7.2923 -7.2923 -7.1499 -7.1499 -7.1254 -7.1254 -7.0094 -7.0094 0.3396 0.3396 0.6454 0.6454 1.2540 1.2540 1.5923 1.5923 1.6595 1.6595 1.7657 1.7657 1.9279 1.9279 1.9775 1.9775 2.2376 2.2376 2.6058 2.6058 2.6941 2.6941 2.7465 2.7465 2.9111 2.9111 3.0675 3.0675 3.5453 3.5453 3.6003 3.6003 4.0849 4.0849 4.3876 4.3876 5.2277 5.2277 6.8126 6.8126 7.1783 7.1783 7.6078 7.6078 7.6626 7.6626 8.6717 8.6717 9.0956 9.0956 9.4374 9.4374 k = 0.3778 0.5004-0.0000 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5594 -23.5594 -23.5122 -23.5122 -23.5047 -23.5047 -23.2678 -23.2678 -7.7852 -7.7852 -7.3775 -7.3775 -7.3028 -7.3028 -7.1477 -7.1477 -7.1260 -7.1260 -7.0087 -7.0087 0.3513 0.3513 0.6507 0.6507 1.2564 1.2564 1.5988 1.5988 1.6552 1.6552 1.7364 1.7364 1.9184 1.9184 1.9704 1.9704 2.2257 2.2257 2.6287 2.6287 2.7028 2.7028 2.7534 2.7534 2.9294 2.9294 3.0629 3.0629 3.5477 3.5477 3.5911 3.5911 4.0678 4.0678 4.3971 4.3971 5.2228 5.2228 6.8288 6.8288 7.1482 7.1482 7.6069 7.6069 7.6623 7.6623 8.7331 8.7331 9.0690 9.0690 9.4140 9.4140 k = 0.3667 0.5196-0.0000 ( 11293 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5594 -23.5594 -23.5122 -23.5122 -23.5047 -23.5047 -23.2678 -23.2678 -7.7815 -7.7815 -7.3745 -7.3745 -7.3119 -7.3119 -7.1454 -7.1454 -7.1272 -7.1272 -7.0081 -7.0081 0.3611 0.3611 0.6554 0.6554 1.2603 1.2603 1.6045 1.6045 1.6487 1.6487 1.7132 1.7132 1.9097 1.9097 1.9661 1.9661 2.2166 2.2166 2.6492 2.6492 2.7053 2.7053 2.7603 2.7603 2.9444 2.9444 3.0589 3.0589 3.5491 3.5491 3.5847 3.5847 4.0536 4.0536 4.4051 4.4051 5.2187 5.2187 6.8436 6.8436 7.1215 7.1215 7.6062 7.6062 7.6621 7.6621 8.7929 8.7929 9.0421 9.0421 9.3913 9.3913 k = 0.3556 0.5389-0.0000 ( 11299 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5047 -23.5047 -23.2678 -23.2678 -7.7786 -7.7786 -7.3722 -7.3722 -7.3190 -7.3190 -7.1432 -7.1432 -7.1288 -7.1288 -7.0075 -7.0075 0.3683 0.3683 0.6591 0.6591 1.2649 1.2649 1.6090 1.6090 1.6406 1.6406 1.6972 1.6972 1.9027 1.9027 1.9637 1.9637 2.2103 2.2103 2.6668 2.6668 2.7037 2.7037 2.7653 2.7653 2.9554 2.9554 3.0559 3.0559 3.5493 3.5493 3.5813 3.5813 4.0429 4.0429 4.4111 4.4111 5.2155 5.2155 6.8556 6.8556 7.1002 7.1002 7.6057 7.6057 7.6619 7.6619 8.8475 8.8475 9.0160 9.0160 9.3712 9.3712 k = 0.3444 0.5581-0.0000 ( 11293 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1574 -31.1574 -23.5594 -23.5594 -23.5123 -23.5123 -23.5046 -23.5046 -23.2678 -23.2678 -7.7766 -7.7766 -7.3708 -7.3708 -7.3233 -7.3233 -7.1412 -7.1412 -7.1304 -7.1304 -7.0072 -7.0072 0.3728 0.3728 0.6615 0.6615 1.2688 1.2688 1.6119 1.6119 1.6335 1.6335 1.6883 1.6883 1.8983 1.8983 1.9626 1.9626 2.2066 2.2066 2.6808 2.6808 2.6995 2.6995 2.7677 2.7677 2.9619 2.9619 3.0543 3.0543 3.5487 3.5487 3.5801 3.5801 4.0363 4.0363 4.4149 4.4149 5.2135 5.2135 6.8632 6.8632 7.0866 7.0866 7.6054 7.6054 7.6617 7.6617 8.8897 8.8897 8.9942 8.9942 9.3567 9.3567 k = 0.3333 0.5774-0.0000 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2678 -23.2678 -7.7759 -7.7759 -7.3705 -7.3705 -7.3248 -7.3248 -7.1404 -7.1404 -7.1312 -7.1312 -7.0070 -7.0070 0.3743 0.3743 0.6624 0.6624 1.2704 1.2704 1.6129 1.6129 1.6305 1.6305 1.6855 1.6855 1.8968 1.8968 1.9623 1.9623 2.2054 2.2054 2.6880 2.6880 2.6956 2.6956 2.7682 2.7682 2.9640 2.9640 3.0539 3.0539 3.5483 3.5483 3.5800 3.5800 4.0340 4.0340 4.4163 4.4163 5.2128 5.2128 6.8657 6.8657 7.0820 7.0820 7.6053 7.6053 7.6617 7.6617 8.9063 8.9063 8.9854 8.9854 9.3511 9.3511 k = 0.3333 0.5774-0.0000 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2678 -23.2678 -7.7759 -7.7759 -7.3705 -7.3705 -7.3248 -7.3248 -7.1404 -7.1404 -7.1312 -7.1312 -7.0070 -7.0070 0.3743 0.3743 0.6624 0.6624 1.2704 1.2704 1.6129 1.6129 1.6305 1.6305 1.6855 1.6855 1.8968 1.8968 1.9623 1.9623 2.2054 2.2054 2.6880 2.6880 2.6956 2.6956 2.7682 2.7682 2.9640 2.9640 3.0539 3.0539 3.5483 3.5483 3.5800 3.5800 4.0340 4.0340 4.4163 4.4163 5.2128 5.2128 6.8657 6.8657 7.0820 7.0820 7.6053 7.6053 7.6617 7.6617 8.9063 8.9063 8.9854 8.9854 9.3511 9.3511 k = 0.3218 0.5574-0.0000 ( 11301 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5123 -23.5123 -23.5047 -23.5047 -23.2678 -23.2678 -7.7767 -7.7767 -7.3706 -7.3706 -7.3234 -7.3234 -7.1414 -7.1414 -7.1303 -7.1303 -7.0072 -7.0072 0.3727 0.3727 0.6614 0.6614 1.2682 1.2682 1.6117 1.6117 1.6342 1.6342 1.6885 1.6885 1.8984 1.8984 1.9625 1.9625 2.2067 2.2067 2.6816 2.6816 2.6983 2.6983 2.7682 2.7682 2.9621 2.9621 3.0540 3.0540 3.5488 3.5488 3.5800 3.5800 4.0364 4.0364 4.4148 4.4148 5.2135 5.2135 6.8636 6.8636 7.0866 7.0866 7.6054 7.6054 7.6617 7.6617 8.8934 8.8934 8.9888 8.9888 9.3577 9.3577 k = 0.3103 0.5375-0.0000 ( 11313 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1992 -31.1992 -31.1575 -31.1575 -23.5595 -23.5595 -23.5123 -23.5123 -23.5047 -23.5047 -23.2679 -23.2679 -7.7794 -7.7794 -7.3704 -7.3704 -7.3200 -7.3200 -7.1438 -7.1438 -7.1279 -7.1279 -7.0077 -7.0077 0.3681 0.3681 0.6582 0.6582 1.2613 1.2613 1.6084 1.6084 1.6442 1.6442 1.6985 1.6985 1.9034 1.9034 1.9632 1.9632 2.2104 2.2104 2.6704 2.6704 2.6981 2.6981 2.7687 2.7687 2.9569 2.9569 3.0539 3.0539 3.5496 3.5496 3.5804 3.5804 4.0432 4.0432 4.4104 4.4104 5.2159 5.2159 6.8588 6.8588 7.0989 7.0989 7.6057 7.6057 7.6620 7.6620 8.8679 8.8679 8.9861 8.9861 9.3760 9.3760 k = 0.2989 0.5176-0.0000 ( 11317 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1992 -31.1992 -31.1575 -31.1575 -23.5595 -23.5595 -23.5123 -23.5123 -23.5047 -23.5047 -23.2679 -23.2679 -7.7839 -7.7839 -7.3690 -7.3690 -7.3150 -7.3150 -7.1468 -7.1468 -7.1250 -7.1250 -7.0086 -7.0086 0.3608 0.3608 0.6526 0.6526 1.2500 1.2500 1.6042 1.6042 1.6555 1.6555 1.7179 1.7179 1.9115 1.9115 1.9643 1.9643 2.2167 2.2167 2.6570 2.6570 2.6939 2.6939 2.7696 2.7696 2.9494 2.9494 3.0526 3.0526 3.5485 3.5485 3.5836 3.5836 4.0541 4.0541 4.4030 4.4030 5.2199 5.2199 6.8541 6.8541 7.1166 7.1166 7.6063 7.6063 7.6623 7.6623 8.8389 8.8389 8.9713 8.9713 9.4011 9.4011 k = 0.2874 0.4977-0.0000 ( 11305 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.7904 -7.7904 -7.3659 -7.3659 -7.3091 -7.3091 -7.1499 -7.1499 -7.1219 -7.1219 -7.0098 -7.0098 0.3512 0.3512 0.6446 0.6446 1.2353 1.2353 1.5998 1.5998 1.6644 1.6644 1.7473 1.7473 1.9226 1.9226 1.9668 1.9668 2.2255 2.2255 2.6420 2.6420 2.6869 2.6869 2.7702 2.7702 2.9405 2.9405 3.0500 3.0500 3.5428 3.5428 3.5918 3.5918 4.0682 4.0682 4.3928 4.3928 5.2254 5.2254 6.8514 6.8514 7.1377 7.1377 7.6071 7.6071 7.6629 7.6629 8.8089 8.8089 8.9468 8.9468 9.4261 9.4261 k = 0.2759 0.4778-0.0000 ( 11305 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.7988 -7.7988 -7.3610 -7.3610 -7.3025 -7.3025 -7.1530 -7.1530 -7.1185 -7.1185 -7.0115 -7.0115 0.3396 0.3396 0.6342 0.6342 1.2183 1.2183 1.5957 1.5957 1.6704 1.6704 1.7831 1.7831 1.9362 1.9362 1.9721 1.9721 2.2372 2.2372 2.6260 2.6260 2.6783 2.6783 2.7696 2.7696 2.9306 2.9306 3.0462 3.0462 3.5322 3.5322 3.6054 3.6054 4.0846 4.0846 4.3802 4.3802 5.2323 5.2323 6.8521 6.8521 7.1610 7.1610 7.6082 7.6082 7.6637 7.6637 8.7787 8.7787 8.9158 8.9158 9.4452 9.4452 k = 0.2644 0.4579-0.0000 ( 11305 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8088 -7.8088 -7.3544 -7.3544 -7.2955 -7.2955 -7.1560 -7.1560 -7.1151 -7.1151 -7.0135 -7.0135 0.3263 0.3263 0.6215 0.6215 1.2002 1.2002 1.5916 1.5916 1.6744 1.6744 1.8193 1.8193 1.9513 1.9513 1.9836 1.9836 2.2521 2.2521 2.6099 2.6099 2.6686 2.6686 2.7673 2.7673 2.9204 2.9204 3.0412 3.0412 3.5177 3.5177 3.6234 3.6234 4.1022 4.1022 4.3660 4.3660 5.2405 5.2405 6.8569 6.8569 7.1853 7.1853 7.6095 7.6095 7.6647 7.6647 8.7488 8.7488 8.8808 8.8808 9.4542 9.4542 k = 0.2529 0.4380-0.0000 ( 11305 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1576 -31.1576 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8204 -7.8204 -7.3460 -7.3460 -7.2881 -7.2881 -7.1587 -7.1587 -7.1117 -7.1117 -7.0160 -7.0160 0.3119 0.3119 0.6068 0.6068 1.1817 1.1817 1.5871 1.5871 1.6772 1.6772 1.8501 1.8501 1.9670 1.9670 2.0052 2.0052 2.2709 2.2709 2.5939 2.5939 2.6584 2.6584 2.7633 2.7633 2.9101 2.9101 3.0357 3.0357 3.4999 3.4999 3.6451 3.6451 4.1194 4.1194 4.3512 4.3512 5.2499 5.2499 6.8663 6.8663 7.2102 7.2102 7.6110 7.6110 7.6658 7.6658 8.7194 8.7194 8.8433 8.8433 9.4508 9.4508 k = 0.2414 0.4181-0.0000 ( 11299 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8332 -7.8332 -7.3363 -7.3363 -7.2804 -7.2804 -7.1611 -7.1611 -7.1083 -7.1083 -7.0188 -7.0188 0.2965 0.2965 0.5902 0.5902 1.1633 1.1633 1.5815 1.5815 1.6795 1.6795 1.8716 1.8716 1.9843 1.9843 2.0369 2.0369 2.2946 2.2946 2.5783 2.5783 2.6478 2.6478 2.7576 2.7576 2.9002 2.9002 3.0300 3.0300 3.4797 3.4797 3.6701 3.6701 4.1338 4.1338 4.3380 4.3380 5.2601 5.2601 6.8802 6.8802 7.2351 7.2351 7.6128 7.6128 7.6672 7.6672 8.6906 8.6906 8.8046 8.8046 9.4340 9.4340 k = 0.2299 0.3982-0.0000 ( 11295 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2679 -23.2679 -7.8469 -7.8469 -7.3255 -7.3255 -7.2725 -7.2725 -7.1630 -7.1630 -7.1048 -7.1048 -7.0220 -7.0220 0.2804 0.2804 0.5721 0.5721 1.1455 1.1455 1.5741 1.5741 1.6818 1.6818 1.8845 1.8845 2.0039 2.0039 2.0747 2.0747 2.3240 2.3240 2.5629 2.5629 2.6375 2.6375 2.7505 2.7505 2.8907 2.8907 3.0246 3.0246 3.4575 3.4575 3.6978 3.6978 4.1426 4.1426 4.3295 4.3295 5.2711 5.2711 6.8983 6.8983 7.2597 7.2597 7.6148 7.6148 7.6687 7.6687 8.6624 8.6624 8.7653 8.7653 9.4042 9.4042 k = 0.2184 0.3783-0.0000 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.8614 -7.8614 -7.3138 -7.3138 -7.2645 -7.2645 -7.1645 -7.1645 -7.1014 -7.1014 -7.0256 -7.0256 0.2639 0.2639 0.5528 0.5528 1.1284 1.1284 1.5643 1.5643 1.6849 1.6849 1.8922 1.8922 2.0252 2.0252 2.1135 2.1135 2.3595 2.3595 2.5476 2.5476 2.6280 2.6280 2.7426 2.7426 2.8817 2.8817 3.0201 3.0201 3.4343 3.4343 3.7276 3.7276 4.1427 4.1427 4.3289 4.3289 5.2824 5.2824 6.9202 6.9202 7.2837 7.2837 7.6169 7.6169 7.6705 7.6705 8.6349 8.6349 8.7261 8.7261 9.3623 9.3623 k = 0.2069 0.3584-0.0000 ( 11311 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1577 -31.1577 -23.5596 -23.5596 -23.5121 -23.5121 -23.5046 -23.5046 -23.2680 -23.2680 -7.8763 -7.8763 -7.3018 -7.3018 -7.2564 -7.2564 -7.1654 -7.1654 -7.0981 -7.0981 -7.0295 -7.0295 0.2472 0.2472 0.5326 0.5326 1.1123 1.1123 1.5519 1.5519 1.6892 1.6892 1.8971 1.8971 2.0474 2.0474 2.1501 2.1501 2.3998 2.3998 2.5320 2.5320 2.6201 2.6201 2.7344 2.7344 2.8732 2.8732 3.0168 3.0168 3.4107 3.4107 3.7586 3.7586 4.1335 4.1335 4.3375 4.3375 5.2939 5.2939 6.9454 6.9454 7.3069 7.3069 7.6193 7.6193 7.6723 7.6723 8.6079 8.6079 8.6877 8.6877 9.3100 9.3100 k = 0.1954 0.3384-0.0000 ( 11301 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5596 -23.5596 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.8914 -7.8914 -7.2896 -7.2896 -7.2483 -7.2483 -7.1655 -7.1655 -7.0947 -7.0947 -7.0336 -7.0336 0.2305 0.2305 0.5119 0.5119 1.0971 1.0971 1.5372 1.5372 1.6949 1.6949 1.9006 1.9006 2.0701 2.0701 2.1831 2.1831 2.4419 2.4419 2.5161 2.5161 2.6150 2.6150 2.7269 2.7269 2.8649 2.8649 3.0154 3.0154 3.3877 3.3877 3.7897 3.7897 4.1179 4.1179 4.3538 4.3538 5.3053 5.3053 6.9733 6.9733 7.3293 7.3293 7.6217 7.6217 7.6743 7.6743 8.5809 8.5809 8.6508 8.6508 9.2489 9.2489 k = 0.1839 0.3185-0.0000 ( 11297 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5596 -23.5596 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9066 -7.9066 -7.2776 -7.2776 -7.2403 -7.2403 -7.1648 -7.1648 -7.0915 -7.0915 -7.0380 -7.0380 0.2139 0.2139 0.4909 0.4909 1.0830 1.0830 1.5208 1.5208 1.7020 1.7020 1.9031 1.9031 2.0926 2.0926 2.2125 2.2125 2.4799 2.4799 2.5007 2.5007 2.6142 2.6142 2.7220 2.7220 2.8566 2.8566 3.0165 3.0165 3.3659 3.3659 3.8184 3.8184 4.1009 4.1009 4.3750 4.3750 5.3165 5.3165 7.0031 7.0031 7.3506 7.3506 7.6242 7.6242 7.6765 7.6765 8.5535 8.5535 8.6163 8.6163 9.1811 9.1811 k = 0.1724 0.2986-0.0000 ( 11293 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9215 -7.9215 -7.2662 -7.2662 -7.2325 -7.2325 -7.1631 -7.1631 -7.0883 -7.0883 -7.0426 -7.0426 0.1975 0.1975 0.4699 0.4699 1.0698 1.0698 1.5037 1.5037 1.7101 1.7101 1.9047 1.9047 2.1148 2.1148 2.2386 2.2386 2.4823 2.4823 2.5112 2.5112 2.6182 2.6182 2.7230 2.7230 2.8483 2.8483 3.0207 3.0207 3.3463 3.3463 3.8404 3.8404 4.0889 4.0889 4.3991 4.3991 5.3271 5.3271 7.0343 7.0343 7.3709 7.3709 7.6268 7.6268 7.6787 7.6787 8.5249 8.5249 8.5849 8.5849 9.1086 9.1086 k = 0.1609 0.2787-0.0000 ( 11301 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9362 -7.9362 -7.2554 -7.2554 -7.2252 -7.2252 -7.1602 -7.1602 -7.0853 -7.0853 -7.0473 -7.0473 0.1815 0.1815 0.4492 0.4492 1.0574 1.0574 1.4866 1.4866 1.7190 1.7190 1.9053 1.9053 2.1362 2.1362 2.2612 2.2612 2.4672 2.4672 2.5275 2.5275 2.6228 2.6228 2.7344 2.7344 2.8398 2.8398 3.0289 3.0289 3.3294 3.3294 3.8501 3.8501 4.0890 4.0890 4.4247 4.4247 5.3370 5.3370 7.0660 7.0660 7.3900 7.3900 7.6293 7.6293 7.6809 7.6809 8.4946 8.4946 8.5573 8.5573 9.0335 9.0335 k = 0.1494 0.2588-0.0000 ( 11299 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9503 -7.9503 -7.2454 -7.2454 -7.2185 -7.2185 -7.1561 -7.1561 -7.0823 -7.0823 -7.0520 -7.0520 0.1659 0.1659 0.4290 0.4290 1.0459 1.0459 1.4703 1.4703 1.7286 1.7286 1.9048 1.9048 2.1567 2.1567 2.2798 2.2798 2.4534 2.4534 2.5354 2.5354 2.6229 2.6229 2.7557 2.7557 2.8311 2.8311 3.0419 3.0419 3.3159 3.3159 3.8439 3.8439 4.1059 4.1059 4.4509 4.4509 5.3460 5.3460 7.0976 7.0976 7.4080 7.4080 7.6318 7.6318 7.6832 7.6832 8.4628 8.4628 8.5333 8.5333 8.9578 8.9578 k = 0.1379 0.2389-0.0000 ( 11311 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5046 -23.5046 -23.2680 -23.2680 -7.9639 -7.9639 -7.2364 -7.2364 -7.2127 -7.2127 -7.1508 -7.1508 -7.0797 -7.0797 -7.0565 -7.0565 0.1509 0.1509 0.4096 0.4096 1.0352 1.0352 1.4554 1.4554 1.7385 1.7385 1.9029 1.9029 2.1763 2.1763 2.2931 2.2931 2.4420 2.4420 2.5390 2.5390 2.6190 2.6190 2.7806 2.7806 2.8225 2.8225 3.0599 3.0599 3.3060 3.3060 3.8241 3.8241 4.1377 4.1377 4.4771 4.4771 5.3539 5.3539 7.1284 7.1284 7.4248 7.4248 7.6341 7.6341 7.6854 7.6854 8.4300 8.4300 8.5123 8.5123 8.8834 8.8834 k = 0.1264 0.2190-0.0000 ( 11287 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9767 -7.9767 -7.2281 -7.2281 -7.2078 -7.2078 -7.1445 -7.1445 -7.0777 -7.0777 -7.0604 -7.0604 0.1366 0.1366 0.3911 0.3911 1.0251 1.0251 1.4425 1.4425 1.7486 1.7486 1.8996 1.8996 2.1946 2.1946 2.3004 2.3004 2.4339 2.4339 2.5401 2.5401 2.6149 2.6149 2.8026 2.8026 2.8147 2.8147 3.0827 3.0827 3.3001 3.3001 3.7958 3.7958 4.1797 4.1797 4.5028 4.5028 5.3606 5.3606 7.1578 7.1578 7.4405 7.4405 7.6363 7.6363 7.6876 7.6876 8.3968 8.3968 8.4936 8.4936 8.8120 8.8120 k = 0.1149 0.1991-0.0000 ( 11305 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9887 -7.9887 -7.2206 -7.2206 -7.2037 -7.2037 -7.1377 -7.1377 -7.0773 -7.0773 -7.0627 -7.0627 0.1230 0.1230 0.3737 0.3737 1.0156 1.0156 1.4317 1.4317 1.7585 1.7585 1.8948 1.8948 2.2118 2.2118 2.3018 2.3018 2.4289 2.4289 2.5381 2.5381 2.6143 2.6143 2.8043 2.8043 2.8230 2.8230 3.1087 3.1087 3.2983 3.2983 3.7630 3.7630 4.2277 4.2277 4.5277 4.5277 5.3661 5.3661 7.1852 7.1852 7.4551 7.4551 7.6383 7.6383 7.6897 7.6897 8.3634 8.3634 8.4767 8.4767 8.7454 8.7454 k = 0.1034 0.1792-0.0000 ( 11299 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -7.9998 -7.9998 -7.2139 -7.2139 -7.2002 -7.2002 -7.1308 -7.1308 -7.0791 -7.0791 -7.0624 -7.0624 0.1102 0.1102 0.3575 0.3575 1.0068 1.0068 1.4233 1.4233 1.7681 1.7681 1.8885 1.8885 2.2274 2.2274 2.2985 2.2985 2.4263 2.4263 2.5323 2.5323 2.6192 2.6192 2.7971 2.7971 2.8359 2.8359 3.1356 3.1356 3.3008 3.3008 3.7284 3.7284 4.2790 4.2790 4.5514 4.5514 5.3701 5.3701 7.2103 7.2103 7.4685 7.4685 7.6402 7.6402 7.6917 7.6917 8.3302 8.3302 8.4610 8.4610 8.6849 8.6849 k = 0.0920 0.1593-0.0000 ( 11295 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -8.0099 -8.0099 -7.2078 -7.2078 -7.1972 -7.1972 -7.1243 -7.1243 -7.0827 -7.0827 -7.0603 -7.0603 0.0985 0.0985 0.3427 0.3427 0.9987 0.9987 1.4172 1.4172 1.7773 1.7773 1.8810 1.8810 2.2408 2.2408 2.2930 2.2930 2.4248 2.4248 2.5233 2.5233 2.6292 2.6292 2.7907 2.7907 2.8448 2.8448 3.1608 3.1608 3.3076 3.3076 3.6936 3.6936 4.3315 4.3315 4.5737 4.5737 5.3728 5.3728 7.2326 7.2326 7.4807 7.4807 7.6418 7.6418 7.6935 7.6935 8.2973 8.2973 8.4463 8.4463 8.6319 8.6319 k = 0.0805 0.1394-0.0000 ( 11291 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1577 -31.1577 -23.5595 -23.5595 -23.5121 -23.5121 -23.5045 -23.5045 -23.2680 -23.2680 -8.0190 -8.0190 -7.2024 -7.2024 -7.1945 -7.1945 -7.1184 -7.1184 -7.0867 -7.0867 -7.0574 -7.0574 0.0878 0.0878 0.3294 0.3294 0.9912 0.9912 1.4133 1.4133 1.7857 1.7857 1.8726 1.8726 2.2506 2.2506 2.2886 2.2886 2.4237 2.4237 2.5127 2.5127 2.6419 2.6419 2.7857 2.7857 2.8506 2.8506 3.1824 3.1824 3.3186 3.3186 3.6598 3.6598 4.3834 4.3834 4.5945 4.5945 5.3740 5.3740 7.2519 7.2519 7.4917 7.4917 7.6432 7.6432 7.6951 7.6951 8.2651 8.2651 8.4322 8.4322 8.5873 8.5873 k = 0.0690 0.1195-0.0000 ( 11291 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1577 -31.1577 -23.5596 -23.5596 -23.5120 -23.5120 -23.5044 -23.5044 -23.2681 -23.2681 -8.0270 -8.0270 -7.1977 -7.1977 -7.1921 -7.1921 -7.1133 -7.1133 -7.0908 -7.0908 -7.0541 -7.0541 0.0782 0.0782 0.3177 0.3177 0.9845 0.9845 1.4113 1.4113 1.7934 1.7934 1.8636 1.8636 2.2537 2.2537 2.2891 2.2891 2.4227 2.4227 2.5018 2.5018 2.6554 2.6554 2.7827 2.7827 2.8540 2.8540 3.1996 3.1996 3.3330 3.3330 3.6277 3.6277 4.4328 4.4328 4.6135 4.6135 5.3741 5.3741 7.2682 7.2682 7.5014 7.5014 7.6444 7.6444 7.6965 7.6965 8.2342 8.2342 8.4185 8.4185 8.5515 8.5515 k = 0.0575 0.0995-0.0000 ( 11283 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2680 -23.2680 -8.0338 -8.0338 -7.1936 -7.1936 -7.1899 -7.1899 -7.1092 -7.1092 -7.0946 -7.0946 -7.0508 -7.0508 0.0700 0.0700 0.3076 0.3076 0.9787 0.9787 1.4108 1.4108 1.8000 1.8000 1.8545 1.8545 2.2507 2.2507 2.2949 2.2949 2.4218 2.4218 2.4915 2.4915 2.6678 2.6678 2.7818 2.7818 2.8554 2.8554 3.2127 3.2127 3.3494 3.3494 3.5982 3.5982 4.4781 4.4781 4.6307 4.6307 5.3731 5.3731 7.2815 7.2815 7.5098 7.5098 7.6454 7.6454 7.6977 7.6977 8.2055 8.2055 8.4055 8.4055 8.5240 8.5240 k = 0.0460 0.0796-0.0000 ( 11279 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1576 -31.1576 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2680 -23.2680 -8.0394 -8.0394 -7.1901 -7.1901 -7.1880 -7.1880 -7.1062 -7.1062 -7.0978 -7.0978 -7.0477 -7.0477 0.0631 0.0631 0.2993 0.2993 0.9738 0.9738 1.4114 1.4114 1.8056 1.8056 1.8460 1.8460 2.2453 2.2453 2.3025 2.3025 2.4209 2.4209 2.4823 2.4823 2.6778 2.6778 2.7834 2.7834 2.8555 2.8555 3.2222 3.2222 3.3661 3.3661 3.5717 3.5717 4.5174 4.5174 4.6459 4.6459 5.3713 5.3713 7.2919 7.2919 7.5166 7.5166 7.6462 7.6462 7.6986 7.6986 8.1802 8.1802 8.3935 8.3935 8.5039 8.5039 k = 0.0345 0.0597-0.0000 ( 11267 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1576 -31.1576 -23.5594 -23.5594 -23.5120 -23.5120 -23.5044 -23.5044 -23.2680 -23.2680 -8.0439 -8.0439 -7.1874 -7.1874 -7.1865 -7.1865 -7.1048 -7.1048 -7.0998 -7.0998 -7.0451 -7.0451 0.0576 0.0576 0.2928 0.2928 0.9699 0.9699 1.4125 1.4125 1.8099 1.8099 1.8386 1.8386 2.2400 2.2400 2.3095 2.3095 2.4202 2.4202 2.4747 2.4747 2.6850 2.6850 2.7867 2.7867 2.8545 2.8545 3.2290 3.2290 3.3817 3.3817 3.5491 3.5491 4.5491 4.5491 4.6589 4.6589 5.3692 5.3692 7.2997 7.2997 7.5220 7.5220 7.6469 7.6469 7.6993 7.6993 8.1592 8.1592 8.3834 8.3834 8.4900 8.4900 k = 0.0230 0.0398-0.0000 ( 11257 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5043 -23.5043 -23.2681 -23.2681 -8.0470 -8.0470 -7.1854 -7.1854 -7.1853 -7.1853 -7.1052 -7.1052 -7.0999 -7.0999 -7.0431 -7.0431 0.0537 0.0537 0.2881 0.2881 0.9671 0.9671 1.4138 1.4138 1.8130 1.8130 1.8330 1.8330 2.2359 2.2359 2.3151 2.3151 2.4196 2.4196 2.4690 2.4690 2.6896 2.6896 2.7909 2.7909 2.8531 2.8531 3.2335 3.2335 3.3948 3.3948 3.5311 3.5311 4.5720 4.5720 4.6693 4.6693 5.3672 5.3672 7.3050 7.3050 7.5258 7.5258 7.6473 7.6473 7.6998 7.6998 8.1436 8.1436 8.3757 8.3757 8.4809 8.4809 k = 0.0115 0.0199-0.0000 ( 11265 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5120 -23.5120 -23.5044 -23.5044 -23.2681 -23.2681 -8.0489 -8.0489 -7.1847 -7.1847 -7.1841 -7.1841 -7.1061 -7.1061 -7.0994 -7.0994 -7.0418 -7.0418 0.0513 0.0513 0.2853 0.2853 0.9654 0.9654 1.4147 1.4147 1.8147 1.8147 1.8294 1.8294 2.2333 2.2333 2.3186 2.3186 2.4192 2.4192 2.4655 2.4655 2.6920 2.6920 2.7943 2.7943 2.8517 2.8517 3.2362 3.2362 3.4039 3.4039 3.5191 3.5191 4.5858 4.5858 4.6762 4.6762 5.3658 5.3658 7.3081 7.3081 7.5281 7.5281 7.6476 7.6476 7.7001 7.7001 8.1339 8.1339 8.3709 8.3709 8.4758 8.4758 k = 0.0000 0.0000 0.0000 ( 11259 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5119 -23.5119 -23.5044 -23.5044 -23.2681 -23.2681 -8.0496 -8.0496 -7.1844 -7.1844 -7.1837 -7.1837 -7.1065 -7.1065 -7.0992 -7.0992 -7.0414 -7.0414 0.0505 0.0505 0.2843 0.2843 0.9648 0.9648 1.4150 1.4150 1.8153 1.8153 1.8282 1.8282 2.2324 2.2324 2.3199 2.3199 2.4191 2.4191 2.4643 2.4643 2.6927 2.6927 2.7956 2.7956 2.8512 2.8512 3.2370 3.2370 3.4073 3.4073 3.5148 3.5148 4.5903 4.5903 4.6787 4.6787 5.3653 5.3653 7.3091 7.3091 7.5289 7.5289 7.6477 7.6477 7.7002 7.7002 8.1307 8.1307 8.3693 8.3693 8.4742 8.4742 k = 0.0000 0.0000 0.0000 ( 11259 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5595 -23.5595 -23.5119 -23.5119 -23.5044 -23.5044 -23.2681 -23.2681 -8.0496 -8.0496 -7.1844 -7.1844 -7.1837 -7.1837 -7.1065 -7.1065 -7.0992 -7.0992 -7.0414 -7.0414 0.0505 0.0505 0.2843 0.2843 0.9648 0.9648 1.4150 1.4150 1.8153 1.8153 1.8282 1.8282 2.2324 2.2324 2.3199 2.3199 2.4191 2.4191 2.4643 2.4643 2.6927 2.6927 2.7956 2.7956 2.8512 2.8512 3.2370 3.2370 3.4073 3.4073 3.5148 3.5148 4.5903 4.5903 4.6787 4.6787 5.3653 5.3653 7.3091 7.3091 7.5289 7.5289 7.6477 7.6477 7.7002 7.7002 8.1307 8.1307 8.3693 8.3693 8.4742 8.4742 k = 0.0000 0.0000 0.0228 ( 11271 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1988 -31.1988 -31.1576 -31.1576 -23.5594 -23.5594 -23.5118 -23.5118 -23.5045 -23.5045 -23.2683 -23.2683 -8.0487 -8.0487 -7.1844 -7.1844 -7.1835 -7.1835 -7.1077 -7.1077 -7.0992 -7.0992 -7.0415 -7.0415 0.0522 0.0522 0.2871 0.2871 0.9652 0.9652 1.4152 1.4152 1.8115 1.8115 1.8275 1.8275 2.2227 2.2227 2.3226 2.3226 2.4271 2.4271 2.4623 2.4623 2.6834 2.6834 2.8082 2.8082 2.8481 2.8481 3.2424 3.2424 3.4050 3.4050 3.5142 3.5142 4.5894 4.5894 4.6701 4.6701 5.3718 5.3718 7.3088 7.3088 7.5287 7.5287 7.6455 7.6455 7.6984 7.6984 8.1324 8.1324 8.3728 8.3728 8.4771 8.4771 k = 0.0000 0.0000 0.0457 ( 11271 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1986 -31.1986 -31.1578 -31.1578 -23.5592 -23.5592 -23.5110 -23.5110 -23.5047 -23.5047 -23.2691 -23.2691 -8.0461 -8.0461 -7.1841 -7.1841 -7.1830 -7.1830 -7.1112 -7.1112 -7.0995 -7.0995 -7.0420 -7.0420 0.0573 0.0573 0.2955 0.2955 0.9664 0.9664 1.4156 1.4156 1.8004 1.8004 1.8251 1.8251 2.1977 2.1977 2.3305 2.3305 2.4471 2.4471 2.4566 2.4566 2.6635 2.6635 2.8377 2.8377 2.8394 2.8394 3.2577 3.2577 3.3981 3.3981 3.5124 3.5124 4.5867 4.5867 4.6455 4.6455 5.3905 5.3905 7.3080 7.3080 7.5279 7.5279 7.6391 7.6391 7.6931 7.6931 8.1375 8.1375 8.3833 8.3833 8.4857 8.4857 k = 0.0000 0.0000 0.0685 ( 11247 PWs) bands (ev): -56.8658 -56.8658 -56.8539 -56.8539 -31.1983 -31.1983 -31.1579 -31.1579 -23.5589 -23.5589 -23.5098 -23.5098 -23.5049 -23.5049 -23.2704 -23.2704 -8.0418 -8.0418 -7.1838 -7.1838 -7.1822 -7.1822 -7.1171 -7.1171 -7.0999 -7.0999 -7.0427 -7.0427 0.0658 0.0658 0.3095 0.3095 0.9685 0.9685 1.4164 1.4164 1.7829 1.7829 1.8210 1.8210 2.1640 2.1640 2.3426 2.3426 2.4473 2.4473 2.4724 2.4724 2.6420 2.6420 2.8264 2.8264 2.8753 2.8753 3.2817 3.2817 3.3869 3.3869 3.5091 3.5091 4.5822 4.5822 4.6074 4.6074 5.4194 5.4194 7.3065 7.3065 7.5265 7.5265 7.6284 7.6284 7.6843 7.6843 8.1455 8.1455 8.4007 8.4007 8.5000 8.5000 k = 0.0000 0.0000 0.0914 ( 11247 PWs) bands (ev): -56.8657 -56.8657 -56.8540 -56.8540 -31.1980 -31.1980 -31.1583 -31.1583 -23.5585 -23.5585 -23.5080 -23.5080 -23.5053 -23.5053 -23.2723 -23.2723 -8.0358 -8.0358 -7.1833 -7.1833 -7.1811 -7.1811 -7.1252 -7.1252 -7.1004 -7.1004 -7.0437 -7.0437 0.0776 0.0776 0.3289 0.3289 0.9713 0.9713 1.4174 1.4174 1.7602 1.7602 1.8152 1.8152 2.1258 2.1258 2.3577 2.3577 2.4349 2.4349 2.4984 2.4984 2.6222 2.6222 2.8110 2.8110 2.9172 2.9172 3.3126 3.3126 3.3715 3.3715 3.5041 3.5041 4.5588 4.5588 4.5761 4.5761 5.4561 5.4561 7.3045 7.3045 7.5246 7.5246 7.6139 7.6139 7.6723 7.6723 8.1554 8.1554 8.4250 8.4250 8.5200 8.5200 k = 0.0000 0.0000 0.1142 ( 11247 PWs) bands (ev): -56.8656 -56.8656 -56.8541 -56.8541 -31.1977 -31.1977 -31.1586 -31.1586 -23.5580 -23.5580 -23.5059 -23.5059 -23.5059 -23.5059 -23.2747 -23.2747 -8.0281 -8.0281 -7.1828 -7.1828 -7.1797 -7.1797 -7.1354 -7.1354 -7.1011 -7.1011 -7.0449 -7.0449 0.0928 0.0928 0.3537 0.3537 0.9750 0.9750 1.4186 1.4186 1.7335 1.7335 1.8074 1.8074 2.0854 2.0854 2.3743 2.3743 2.4203 2.4203 2.5228 2.5228 2.6053 2.6053 2.7946 2.7946 2.9621 2.9621 3.3489 3.3489 3.3522 3.3522 3.4970 3.4970 4.5031 4.5031 4.5687 4.5687 5.4987 5.4987 7.3017 7.3017 7.5219 7.5219 7.5958 7.5958 7.6572 7.6572 8.1661 8.1661 8.4558 8.4558 8.5456 8.5456 k = 0.0000 0.0000 0.1370 ( 11259 PWs) bands (ev): -56.8655 -56.8655 -56.8542 -56.8542 -31.1972 -31.1972 -31.1591 -31.1591 -23.5573 -23.5573 -23.5065 -23.5065 -23.5032 -23.5032 -23.2776 -23.2776 -8.0187 -8.0187 -7.1826 -7.1826 -7.1779 -7.1779 -7.1474 -7.1474 -7.1019 -7.1019 -7.0464 -7.0464 0.1112 0.1112 0.3836 0.3836 0.9794 0.9794 1.4199 1.4199 1.7039 1.7039 1.7974 1.7974 2.0441 2.0441 2.3914 2.3914 2.4041 2.4041 2.5438 2.5438 2.5917 2.5917 2.7785 2.7785 3.0092 3.0092 3.3292 3.3292 3.3892 3.3892 3.4875 3.4875 4.4428 4.4428 4.5599 4.5599 5.5459 5.5459 7.2982 7.2982 7.5184 7.5184 7.5746 7.5746 7.6392 7.6392 8.1759 8.1759 8.4930 8.4930 8.5768 8.5768 k = 0.0000 0.0000 0.1599 ( 11271 PWs) bands (ev): -56.8653 -56.8653 -56.8544 -56.8544 -31.1967 -31.1967 -31.1597 -31.1597 -23.5566 -23.5566 -23.5072 -23.5072 -23.5001 -23.5001 -23.2811 -23.2811 -8.0077 -8.0077 -7.1837 -7.1837 -7.1759 -7.1759 -7.1601 -7.1601 -7.1029 -7.1029 -7.0482 -7.0482 0.1328 0.1328 0.4185 0.4185 0.9845 0.9845 1.4213 1.4213 1.6723 1.6723 1.7850 1.7850 2.0026 2.0026 2.3873 2.3873 2.4080 2.4080 2.5604 2.5604 2.5814 2.5814 2.7633 2.7633 3.0580 3.0580 3.3026 3.3026 3.4327 3.4327 3.4750 3.4750 4.3807 4.3807 4.5502 4.5502 5.5967 5.5967 7.2939 7.2939 7.5139 7.5139 7.5507 7.5507 7.6190 7.6190 8.1828 8.1828 8.5362 8.5362 8.6133 8.6133 k = 0.0000 0.0000 0.1827 ( 11277 PWs) bands (ev): -56.8651 -56.8651 -56.8546 -56.8546 -31.1960 -31.1960 -31.1603 -31.1603 -23.5558 -23.5558 -23.5081 -23.5081 -23.4965 -23.4965 -23.2850 -23.2850 -7.9950 -7.9950 -7.1899 -7.1899 -7.1735 -7.1735 -7.1694 -7.1694 -7.1041 -7.1041 -7.0503 -7.0503 0.1576 0.1576 0.4581 0.4581 0.9904 0.9904 1.4228 1.4228 1.6395 1.6395 1.7700 1.7700 1.9614 1.9614 2.3710 2.3710 2.4233 2.4233 2.5718 2.5718 2.5745 2.5745 2.7497 2.7497 3.1081 3.1081 3.2724 3.2724 3.4590 3.4590 3.4785 3.4785 4.3190 4.3190 4.5395 4.5395 5.6507 5.6507 7.2887 7.2887 7.5084 7.5084 7.5247 7.5247 7.5968 7.5968 8.1843 8.1843 8.5851 8.5851 8.6550 8.6550 k = 0.0000 0.0000 0.2056 ( 11277 PWs) bands (ev): -56.8649 -56.8649 -56.8548 -56.8548 -31.1953 -31.1953 -31.1610 -31.1610 -23.5549 -23.5549 -23.5091 -23.5091 -23.4924 -23.4924 -23.2894 -23.2894 -7.9808 -7.9808 -7.2046 -7.2046 -7.1720 -7.1720 -7.1709 -7.1709 -7.1054 -7.1054 -7.0526 -7.0526 0.1854 0.1854 0.5022 0.5022 0.9971 0.9971 1.4243 1.4243 1.6059 1.6059 1.7522 1.7522 1.9210 1.9210 2.3559 2.3559 2.4369 2.4369 2.5710 2.5710 2.5774 2.5774 2.7379 2.7379 3.1591 3.1591 3.2387 3.2387 3.4388 3.4388 3.5262 3.5262 4.2600 4.2600 4.5282 4.5282 5.7076 5.7076 7.2826 7.2826 7.4972 7.4972 7.5016 7.5016 7.5732 7.5732 8.1781 8.1781 8.6393 8.6393 8.7017 8.7017 k = 0.0000 0.0000 0.2284 ( 11265 PWs) bands (ev): -56.8647 -56.8647 -56.8550 -56.8550 -31.1944 -31.1944 -31.1618 -31.1618 -23.5539 -23.5539 -23.5101 -23.5101 -23.4878 -23.4878 -23.2942 -23.2942 -7.9651 -7.9651 -7.2239 -7.2239 -7.1716 -7.1716 -7.1681 -7.1681 -7.1068 -7.1068 -7.0552 -7.0552 0.2161 0.2161 0.5502 0.5502 1.0044 1.0044 1.4257 1.4257 1.5721 1.5721 1.7316 1.7316 1.8815 1.8815 2.3428 2.3428 2.4487 2.4487 2.5709 2.5709 2.5766 2.5766 2.7277 2.7277 3.2012 3.2012 3.2109 3.2109 3.4140 3.4140 3.5752 3.5752 4.2055 4.2055 4.5163 4.5163 5.7674 5.7674 7.2755 7.2755 7.4689 7.4689 7.4935 7.4935 7.5489 7.5489 8.1617 8.1617 8.6984 8.6984 8.7531 8.7531 k = 0.0000 0.0000 0.2512 ( 11253 PWs) bands (ev): -56.8644 -56.8644 -56.8553 -56.8553 -31.1936 -31.1936 -31.1625 -31.1625 -23.5527 -23.5527 -23.5113 -23.5113 -23.4830 -23.4830 -23.2993 -23.2993 -7.9478 -7.9478 -7.2455 -7.2455 -7.1703 -7.1703 -7.1650 -7.1650 -7.1084 -7.1084 -7.0579 -7.0579 0.2497 0.2497 0.6017 0.6017 1.0124 1.0124 1.4271 1.4271 1.5385 1.5385 1.7083 1.7083 1.8434 1.8434 2.3325 2.3325 2.4587 2.4587 2.5690 2.5690 2.5741 2.5741 2.7190 2.7190 3.1601 3.1601 3.2630 3.2630 3.3843 3.3843 3.6252 3.6252 4.1569 4.1569 4.5039 4.5039 5.8301 5.8301 7.2675 7.2675 7.4402 7.4402 7.4839 7.4839 7.5244 7.5244 8.1335 8.1335 8.7619 8.7619 8.8088 8.8088 k = 0.0000 0.0000 0.2741 ( 11247 PWs) bands (ev): -56.8642 -56.8642 -56.8556 -56.8556 -31.1926 -31.1926 -31.1635 -31.1635 -23.5515 -23.5515 -23.5125 -23.5125 -23.4776 -23.4776 -23.3050 -23.3050 -7.9291 -7.9291 -7.2690 -7.2690 -7.1686 -7.1686 -7.1616 -7.1616 -7.1101 -7.1101 -7.0610 -7.0610 0.2860 0.2860 0.6561 0.6561 1.0211 1.0211 1.4286 1.4286 1.5052 1.5052 1.6826 1.6826 1.8066 1.8066 2.3256 2.3256 2.4673 2.4673 2.5544 2.5544 2.5805 2.5805 2.7112 2.7112 3.1152 3.1152 3.3151 3.3151 3.3499 3.3499 3.6758 3.6758 4.1152 4.1152 4.4909 4.4909 5.8957 5.8957 7.2586 7.2586 7.4119 7.4119 7.4726 7.4726 7.5003 7.5003 8.0927 8.0927 8.8295 8.8295 8.8686 8.8686 k = 0.0000 0.0000 0.2969 ( 11254 PWs) bands (ev): -56.8639 -56.8639 -56.8559 -56.8559 -31.1916 -31.1916 -31.1644 -31.1644 -23.5502 -23.5502 -23.5139 -23.5139 -23.4720 -23.4720 -23.3110 -23.3110 -7.9091 -7.9091 -7.2940 -7.2940 -7.1666 -7.1666 -7.1581 -7.1581 -7.1119 -7.1119 -7.0642 -7.0642 0.3248 0.3248 0.7124 0.7124 1.0306 1.0306 1.4301 1.4301 1.4726 1.4726 1.6553 1.6553 1.7715 1.7715 2.3223 2.3223 2.4749 2.4749 2.5325 2.5325 2.5901 2.5901 2.7040 2.7040 3.0667 3.0667 3.3115 3.3115 3.3671 3.3671 3.7267 3.7267 4.0803 4.0803 4.4773 4.4773 5.9643 5.9643 7.2490 7.2490 7.3843 7.3843 7.4595 7.4595 7.4773 7.4773 8.0395 8.0395 8.9005 8.9005 8.9320 8.9320 k = 0.0000 0.0000 0.3198 ( 11254 PWs) bands (ev): -56.8636 -56.8636 -56.8562 -56.8562 -31.1906 -31.1906 -31.1654 -31.1654 -23.5488 -23.5488 -23.5153 -23.5153 -23.4660 -23.4660 -23.3174 -23.3174 -7.8877 -7.8877 -7.3202 -7.3202 -7.1645 -7.1645 -7.1543 -7.1543 -7.1138 -7.1138 -7.0676 -7.0676 0.3659 0.3659 0.7693 0.7693 1.0407 1.0407 1.4318 1.4318 1.4409 1.4409 1.6276 1.6276 1.7381 1.7381 2.3230 2.3230 2.4819 2.4819 2.5030 2.5030 2.6028 2.6028 2.6967 2.6967 3.0149 3.0149 3.2703 3.2703 3.4186 3.4186 3.7776 3.7776 4.0517 4.0517 4.4630 4.4630 6.0359 6.0359 7.2387 7.2387 7.3580 7.3580 7.4442 7.4442 7.4558 7.4558 7.9753 7.9753 8.9744 8.9744 8.9986 8.9986 k = 0.0000 0.0000 0.3426 ( 11266 PWs) bands (ev): -56.8632 -56.8632 -56.8565 -56.8565 -31.1895 -31.1895 -31.1665 -31.1665 -23.5473 -23.5473 -23.5168 -23.5168 -23.4597 -23.4597 -23.3240 -23.3240 -7.8650 -7.8650 -7.3475 -7.3475 -7.1622 -7.1622 -7.1504 -7.1504 -7.1159 -7.1159 -7.0713 -7.0713 0.4093 0.4093 0.8251 0.8251 1.0515 1.0515 1.4101 1.4101 1.4340 1.4340 1.6010 1.6010 1.7065 1.7065 2.3276 2.3276 2.4658 2.4658 2.4889 2.4889 2.6183 2.6183 2.6890 2.6890 2.9608 2.9608 3.2273 3.2273 3.4692 3.4692 3.8283 3.8283 4.0282 4.0282 4.4477 4.4477 6.1106 6.1106 7.2283 7.2283 7.3332 7.3332 7.4262 7.4262 7.4364 7.4364 7.9024 7.9024 9.0508 9.0508 9.0680 9.0680 k = 0.0000 0.0000 0.3655 ( 11272 PWs) bands (ev): -56.8629 -56.8629 -56.8568 -56.8568 -31.1884 -31.1884 -31.1677 -31.1677 -23.5458 -23.5458 -23.5183 -23.5183 -23.4531 -23.4531 -23.3310 -23.3310 -7.8412 -7.8412 -7.3758 -7.3758 -7.1598 -7.1598 -7.1463 -7.1463 -7.1181 -7.1181 -7.0751 -7.0751 0.4547 0.4547 0.8771 0.8771 1.0630 1.0630 1.3804 1.3804 1.4372 1.4372 1.5781 1.5781 1.6768 1.6768 2.3363 2.3363 2.4207 2.4207 2.4961 2.4961 2.6366 2.6366 2.6806 2.6806 2.9055 2.9055 3.1838 3.1838 3.5188 3.5188 3.8783 3.8783 4.0083 4.0083 4.4313 4.4313 6.1884 6.1884 7.2179 7.2179 7.3101 7.3101 7.4049 7.4049 7.4196 7.4196 7.8234 7.8234 9.1289 9.1289 9.1395 9.1395 k = 0.0000 0.0000 0.3883 ( 11284 PWs) bands (ev): -56.8626 -56.8626 -56.8572 -56.8572 -31.1872 -31.1872 -31.1689 -31.1689 -23.5442 -23.5442 -23.5199 -23.5199 -23.4462 -23.4462 -23.3382 -23.3382 -7.8163 -7.8163 -7.4049 -7.4049 -7.1572 -7.1572 -7.1420 -7.1420 -7.1204 -7.1204 -7.0790 -7.0790 0.5018 0.5018 0.9218 0.9218 1.0753 1.0753 1.3518 1.3518 1.4422 1.4422 1.5618 1.5618 1.6490 1.6490 2.3489 2.3489 2.3677 2.3677 2.5040 2.5040 2.6575 2.6575 2.6711 2.6711 2.8502 2.8502 3.1403 3.1403 3.5670 3.5670 3.9276 3.9276 3.9907 3.9907 4.4134 4.4134 6.2692 6.2692 7.2083 7.2083 7.2888 7.2888 7.3789 7.3789 7.4057 7.4057 7.7420 7.7420 9.2081 9.2081 9.2127 9.2127 k = 0.0000 0.0000 0.4111 ( 11236 PWs) bands (ev): -56.8622 -56.8622 -56.8575 -56.8575 -31.1858 -31.1858 -31.1701 -31.1701 -23.5426 -23.5426 -23.5214 -23.5214 -23.4389 -23.4389 -23.3456 -23.3456 -7.7903 -7.7903 -7.4346 -7.4346 -7.1547 -7.1547 -7.1377 -7.1377 -7.1227 -7.1227 -7.0832 -7.0832 0.5503 0.5503 0.9547 0.9547 1.0884 1.0884 1.3244 1.3244 1.4497 1.4497 1.5561 1.5561 1.6233 1.6233 2.3071 2.3071 2.3651 2.3651 2.5127 2.5127 2.6607 2.6607 2.6808 2.6808 2.7963 2.7963 3.0974 3.0974 3.6135 3.6135 3.9740 3.9740 3.9757 3.9757 4.3937 4.3937 6.3529 6.3529 7.1997 7.1997 7.2694 7.2694 7.3458 7.3458 7.3950 7.3950 7.6624 7.6624 9.2866 9.2866 9.2877 9.2877 k = 0.0000 0.0000 0.4340 ( 11254 PWs) bands (ev): -56.8618 -56.8618 -56.8579 -56.8579 -31.1845 -31.1845 -31.1714 -31.1714 -23.5409 -23.5409 -23.5231 -23.5231 -23.4316 -23.4316 -23.3532 -23.3532 -7.7634 -7.7634 -7.4648 -7.4648 -7.1520 -7.1520 -7.1332 -7.1332 -7.1252 -7.1252 -7.0874 -7.0874 0.6000 0.6000 0.9719 0.9719 1.1023 1.1023 1.2983 1.2983 1.4594 1.4594 1.5656 1.5656 1.5996 1.5996 2.2397 2.2397 2.3848 2.3848 2.5224 2.5224 2.6493 2.6493 2.7063 2.7063 2.7447 2.7447 3.0554 3.0554 3.6581 3.6581 3.9570 3.9570 4.0225 4.0225 4.3721 4.3721 6.4395 6.4395 7.1928 7.1928 7.2518 7.2518 7.3020 7.3020 7.3878 7.3878 7.5901 7.5901 9.3606 9.3606 9.3666 9.3666 k = 0.0000 0.0000 0.4568 ( 11254 PWs) bands (ev): -56.8614 -56.8614 -56.8583 -56.8583 -31.1833 -31.1833 -31.1726 -31.1726 -23.5391 -23.5391 -23.5249 -23.5249 -23.4242 -23.4242 -23.3609 -23.3609 -7.7356 -7.7356 -7.4953 -7.4953 -7.1493 -7.1493 -7.1287 -7.1287 -7.1277 -7.1277 -7.0918 -7.0918 0.6504 0.6504 0.9717 0.9717 1.1171 1.1171 1.2734 1.2734 1.4694 1.4694 1.5779 1.5779 1.5940 1.5940 2.1666 2.1666 2.4078 2.4078 2.5330 2.5330 2.6370 2.6370 2.6958 2.6958 2.7339 2.7339 3.0145 3.0145 3.7004 3.7004 3.9388 3.9388 4.0677 4.0677 4.3482 4.3482 6.5288 6.5288 7.1880 7.1880 7.2360 7.2360 7.2441 7.2441 7.3843 7.3843 7.5303 7.5303 9.4333 9.4333 9.4439 9.4439 k = 0.0000 0.0000 0.4797 ( 11260 PWs) bands (ev): -56.8610 -56.8610 -56.8587 -56.8587 -31.1820 -31.1820 -31.1739 -31.1739 -23.5374 -23.5374 -23.5267 -23.5267 -23.4165 -23.4165 -23.3688 -23.3688 -7.7071 -7.7071 -7.5260 -7.5260 -7.1466 -7.1466 -7.1303 -7.1303 -7.1240 -7.1240 -7.0963 -7.0963 0.7011 0.7011 0.9557 0.9557 1.1329 1.1329 1.2498 1.2498 1.4789 1.4789 1.5583 1.5583 1.6407 1.6407 2.0893 2.0893 2.4340 2.4340 2.5445 2.5445 2.6240 2.6240 2.6499 2.6499 2.7635 2.7635 2.9746 2.9746 3.7402 3.7402 3.9187 3.9187 4.1110 4.1110 4.3219 4.3219 6.6203 6.6203 7.1716 7.1716 7.1854 7.1854 7.2221 7.2221 7.3845 7.3845 7.4847 7.4847 9.5035 9.5035 9.5183 9.5183 k = 0.0000 0.0000 0.5025 ( 11248 PWs) bands (ev): -56.8607 -56.8607 -56.8591 -56.8591 -31.1806 -31.1806 -31.1752 -31.1752 -23.5356 -23.5356 -23.5284 -23.5284 -23.4086 -23.4086 -23.3767 -23.3767 -7.6779 -7.6779 -7.5568 -7.5568 -7.1438 -7.1438 -7.1329 -7.1329 -7.1194 -7.1194 -7.1008 -7.1008 0.7513 0.7513 0.9274 0.9274 1.1496 1.1496 1.2274 1.2274 1.4885 1.4885 1.5407 1.5407 1.7016 1.7016 2.0093 2.0093 2.4630 2.4630 2.5568 2.5568 2.6069 2.6069 2.6106 2.6106 2.7948 2.7948 2.9360 2.9360 3.7773 3.7773 3.8962 3.8962 4.1522 4.1522 4.2931 4.2931 6.7138 6.7138 7.0879 7.0879 7.1854 7.1854 7.2102 7.2102 7.3886 7.3886 7.4514 7.4514 9.5696 9.5696 9.5883 9.5883 k = 0.0000 0.0000 0.5253 ( 11248 PWs) bands (ev): -56.8603 -56.8603 -56.8595 -56.8595 -31.1793 -31.1793 -31.1766 -31.1766 -23.5338 -23.5338 -23.5302 -23.5302 -23.4007 -23.4007 -23.3847 -23.3847 -7.6481 -7.6481 -7.5875 -7.5875 -7.1411 -7.1411 -7.1356 -7.1356 -7.1147 -7.1147 -7.1054 -7.1054 0.8004 0.8004 0.8902 0.8902 1.1674 1.1674 1.2062 1.2062 1.4991 1.4991 1.5250 1.5250 1.7721 1.7721 1.9285 1.9285 2.4949 2.4949 2.5668 2.5668 2.5697 2.5697 2.5969 2.5969 2.8279 2.8279 2.8986 2.8986 3.8115 3.8115 3.8710 3.8710 4.1912 4.1912 4.2617 4.2617 6.8085 6.8085 6.9974 6.9974 7.1879 7.1879 7.2004 7.2004 7.3968 7.3968 7.4271 7.4271 9.6296 9.6296 9.6524 9.6524 k = 0.0000 0.0000 0.5482 ( 11248 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6180 -7.6180 -7.6180 -7.6180 -7.1383 -7.1383 -7.1383 -7.1383 -7.1101 -7.1101 -7.1101 -7.1101 0.8472 0.8472 0.8472 0.8472 1.1862 1.1862 1.1862 1.1862 1.5111 1.5111 1.5111 1.5111 1.8487 1.8487 1.8487 1.8487 2.5295 2.5295 2.5295 2.5295 2.5832 2.5832 2.5832 2.5832 2.8625 2.8625 2.8625 2.8625 3.8428 3.8428 3.8428 3.8428 4.2277 4.2277 4.2277 4.2277 6.9035 6.9035 6.9035 6.9035 7.1929 7.1929 7.1929 7.1929 7.4094 7.4094 7.4094 7.4094 9.6814 9.6814 9.6814 9.6814 k = 0.0000 0.0000 0.5482 ( 11248 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6180 -7.6180 -7.6180 -7.6180 -7.1383 -7.1383 -7.1383 -7.1383 -7.1101 -7.1101 -7.1101 -7.1101 0.8472 0.8472 0.8472 0.8472 1.1862 1.1862 1.1862 1.1862 1.5111 1.5111 1.5111 1.5111 1.8487 1.8487 1.8487 1.8487 2.5295 2.5295 2.5295 2.5295 2.5832 2.5832 2.5832 2.5832 2.8625 2.8625 2.8625 2.8625 3.8428 3.8428 3.8428 3.8428 4.2277 4.2277 4.2277 4.2277 6.9035 6.9035 6.9035 6.9035 7.1929 7.1929 7.1929 7.1929 7.4094 7.4094 7.4094 7.4094 9.6814 9.6814 9.6814 9.6814 k = 0.0192 0.0111 0.5482 ( 11248 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6175 -7.6175 -7.6175 -7.6175 -7.1386 -7.1386 -7.1386 -7.1386 -7.1103 -7.1103 -7.1103 -7.1103 0.8445 0.8445 0.8445 0.8445 1.1876 1.1876 1.1877 1.1877 1.5134 1.5134 1.5134 1.5134 1.8478 1.8478 1.8478 1.8478 2.5282 2.5282 2.5284 2.5284 2.5847 2.5847 2.5849 2.5849 2.8647 2.8647 2.8647 2.8647 3.8418 3.8418 3.8419 3.8419 4.2264 4.2264 4.2264 4.2264 6.9038 6.9038 6.9039 6.9039 7.1930 7.1930 7.1931 7.1931 7.4096 7.4096 7.4096 7.4096 9.6778 9.6778 9.6781 9.6781 k = 0.0385 0.0222 0.5482 ( 11230 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6163 -7.6163 -7.6163 -7.6163 -7.1394 -7.1394 -7.1393 -7.1393 -7.1111 -7.1111 -7.1110 -7.1110 0.8366 0.8366 0.8366 0.8366 1.1913 1.1913 1.1915 1.1915 1.5203 1.5203 1.5204 1.5204 1.8451 1.8451 1.8453 1.8453 2.5242 2.5242 2.5259 2.5259 2.5885 2.5885 2.5898 2.5898 2.8712 2.8712 2.8713 2.8713 3.8391 3.8391 3.8392 3.8392 4.2225 4.2225 4.2227 4.2227 6.9050 6.9050 6.9051 6.9051 7.1932 7.1932 7.1935 7.1935 7.4103 7.4103 7.4104 7.4104 9.6653 9.6653 9.6674 9.6674 k = 0.0577 0.0333 0.5482 ( 11250 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6141 -7.6141 -7.6141 -7.6141 -7.1407 -7.1407 -7.1405 -7.1405 -7.1124 -7.1124 -7.1122 -7.1122 0.8243 0.8243 0.8246 0.8246 1.1963 1.1963 1.1970 1.1970 1.5317 1.5317 1.5323 1.5323 1.8406 1.8406 1.8411 1.8411 2.5184 2.5184 2.5231 2.5231 2.5936 2.5936 2.5972 2.5972 2.8820 2.8820 2.8823 2.8823 3.8344 3.8344 3.8350 3.8350 4.2162 4.2162 4.2166 4.2166 6.9067 6.9067 6.9072 6.9072 7.1934 7.1934 7.1942 7.1942 7.4112 7.4112 7.4118 7.4118 9.6420 9.6420 9.6473 9.6473 k = 0.0769 0.0444 0.5482 ( 11254 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6112 -7.6112 -7.6111 -7.6111 -7.1426 -7.1426 -7.1421 -7.1421 -7.1142 -7.1142 -7.1138 -7.1138 0.8089 0.8089 0.8094 0.8094 1.2014 1.2014 1.2028 1.2028 1.5479 1.5479 1.5491 1.5491 1.8342 1.8342 1.8354 1.8354 2.5114 2.5114 2.5206 2.5206 2.5993 2.5993 2.6060 2.6060 2.8968 2.8968 2.8974 2.8974 3.8278 3.8278 3.8293 3.8293 4.2075 4.2075 4.2085 4.2085 6.9090 6.9090 6.9101 6.9101 7.1933 7.1933 7.1952 7.1952 7.4124 7.4124 7.4138 7.4138 9.6089 9.6089 9.6175 9.6175 k = 0.0962 0.0555 0.5482 ( 11260 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6074 -7.6074 -7.6073 -7.6073 -7.1450 -7.1450 -7.1442 -7.1442 -7.1166 -7.1166 -7.1158 -7.1158 0.7915 0.7915 0.7922 0.7922 1.2055 1.2055 1.2080 1.2080 1.5686 1.5686 1.5708 1.5708 1.8261 1.8261 1.8283 1.8283 2.5037 2.5037 2.5188 2.5188 2.6052 2.6052 2.6157 2.6157 2.9155 2.9155 2.9166 2.9166 3.8193 3.8193 3.8223 3.8223 4.1967 4.1967 4.1986 4.1986 6.9117 6.9117 6.9138 6.9138 7.1927 7.1927 7.1963 7.1963 7.4138 7.4138 7.4164 7.4164 9.5682 9.5682 9.5799 9.5799 k = 0.1154 0.0666 0.5482 ( 11260 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.6028 -7.6028 -7.6027 -7.6027 -7.1481 -7.1481 -7.1467 -7.1467 -7.1194 -7.1194 -7.1181 -7.1181 0.7729 0.7729 0.7740 0.7740 1.2082 1.2082 1.2120 1.2120 1.5935 1.5935 1.5969 1.5969 1.8164 1.8164 1.8201 1.8201 2.4958 2.4958 2.5177 2.5177 2.6113 2.6113 2.6256 2.6256 2.9376 2.9376 2.9393 2.9393 3.8089 3.8089 3.8142 3.8142 4.1841 4.1841 4.1874 4.1874 6.9148 6.9148 6.9182 6.9182 7.1914 7.1914 7.1974 7.1974 7.4153 7.4153 7.4196 7.4196 9.5218 9.5218 9.5365 9.5365 k = 0.1346 0.0777 0.5482 ( 11262 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5974 -7.5974 -7.5973 -7.5973 -7.1518 -7.1518 -7.1497 -7.1497 -7.1227 -7.1227 -7.1207 -7.1207 0.7539 0.7539 0.7555 0.7555 1.2092 1.2092 1.2146 1.2146 1.6216 1.6216 1.6264 1.6264 1.8054 1.8054 1.8109 1.8109 2.4878 2.4878 2.5173 2.5173 2.6175 2.6175 2.6356 2.6356 2.9628 2.9628 2.9653 2.9653 3.7968 3.7968 3.8054 3.8054 4.1698 4.1698 4.1752 4.1752 6.9182 6.9182 6.9234 6.9234 7.1892 7.1892 7.1982 7.1982 7.4168 7.4168 7.4231 7.4231 9.4714 9.4714 9.4889 9.4889 k = 0.1538 0.0888 0.5482 ( 11262 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5913 -7.5913 -7.5912 -7.5912 -7.1561 -7.1561 -7.1532 -7.1532 -7.1263 -7.1263 -7.1235 -7.1235 0.7351 0.7351 0.7372 0.7372 1.2089 1.2089 1.2158 1.2158 1.6516 1.6516 1.6578 1.6578 1.7940 1.7940 1.8019 1.8019 2.4798 2.4798 2.5175 2.5175 2.6239 2.6239 2.6454 2.6454 2.9907 2.9907 2.9939 2.9939 3.7831 3.7831 3.7962 3.7962 4.1542 4.1542 4.1624 4.1624 6.9219 6.9219 6.9291 6.9291 7.1860 7.1860 7.1985 7.1985 7.4183 7.4183 7.4269 7.4269 9.4183 9.4183 9.4383 9.4383 k = 0.1731 0.0999 0.5482 ( 11254 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.5845 -7.5845 -7.5843 -7.5843 -7.1610 -7.1610 -7.1572 -7.1572 -7.1302 -7.1302 -7.1266 -7.1266 0.7170 0.7170 0.7195 0.7195 1.2075 1.2075 1.2161 1.2161 1.6805 1.6805 1.6879 1.6879 1.7845 1.7845 1.7955 1.7955 2.4719 2.4719 2.5180 2.5180 2.6304 2.6304 2.6549 2.6549 3.0209 3.0209 3.0244 3.0244 3.7681 3.7681 3.7870 3.7870 4.1375 4.1375 4.1493 4.1493 6.9257 6.9257 6.9355 6.9355 7.1816 7.1816 7.1980 7.1980 7.4196 7.4196 7.4308 7.4308 9.3639 9.3639 9.3861 9.3861 k = 0.1923 0.1110 0.5482 ( 11256 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.5770 -7.5770 -7.5767 -7.5767 -7.1665 -7.1665 -7.1618 -7.1618 -7.1343 -7.1343 -7.1297 -7.1297 0.6998 0.6998 0.7027 0.7027 1.2055 1.2055 1.2157 1.2157 1.7012 1.7012 1.7093 1.7093 1.7834 1.7834 1.7984 1.7984 2.4641 2.4641 2.5186 2.5186 2.6372 2.6372 2.6642 2.6642 3.0528 3.0528 3.0563 3.0563 3.7521 3.7521 3.7783 3.7783 4.1199 4.1199 4.1364 4.1364 6.9298 6.9298 6.9424 6.9424 7.1760 7.1760 7.1967 7.1967 7.4207 7.4207 7.4345 7.4345 9.3093 9.3093 9.3331 9.3331 k = 0.2115 0.1221 0.5482 ( 11260 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5688 -7.5688 -7.5685 -7.5685 -7.1727 -7.1727 -7.1671 -7.1671 -7.1383 -7.1383 -7.1330 -7.1330 0.6836 0.6836 0.6869 0.6869 1.2035 1.2035 1.2152 1.2152 1.7037 1.7037 1.7133 1.7133 1.8000 1.8000 1.8185 1.8185 2.4566 2.4566 2.5192 2.5192 2.6442 2.6442 2.6731 2.6731 3.0859 3.0859 3.0887 3.0887 3.7355 3.7355 3.7708 3.7708 4.1016 4.1016 4.1237 4.1237 6.9340 6.9340 6.9498 6.9498 7.1691 7.1691 7.1942 7.1942 7.4214 7.4214 7.4377 7.4377 9.2556 9.2556 9.2805 9.2805 k = 0.2308 0.1332 0.5482 ( 11264 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5601 -7.5601 -7.5597 -7.5597 -7.1794 -7.1794 -7.1731 -7.1731 -7.1423 -7.1423 -7.1363 -7.1363 0.6687 0.6687 0.6724 0.6724 1.2017 1.2017 1.2149 1.2149 1.6918 1.6918 1.7037 1.7037 1.8302 1.8302 1.8516 1.8516 2.4492 2.4492 2.5196 2.5196 2.6514 2.6514 2.6816 2.6816 3.1196 3.1196 3.1207 3.1207 3.7188 3.7188 3.7650 3.7650 4.0827 4.0827 4.1115 4.1115 6.9384 6.9384 6.9577 6.9577 7.1611 7.1611 7.1907 7.1907 7.4217 7.4217 7.4402 7.4402 9.2035 9.2035 9.2290 9.2290 k = 0.2500 0.1443 0.5482 ( 11282 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5508 -7.5508 -7.5503 -7.5503 -7.1867 -7.1867 -7.1798 -7.1798 -7.1460 -7.1460 -7.1396 -7.1396 0.6552 0.6552 0.6591 0.6591 1.2005 1.2005 1.2152 1.2152 1.6734 1.6734 1.6876 1.6876 1.8654 1.8654 1.8900 1.8900 2.4421 2.4421 2.5196 2.5196 2.6588 2.6588 2.6896 2.6896 3.1516 3.1516 3.1531 3.1531 3.7026 3.7026 3.7616 3.7616 4.0635 4.0635 4.1000 4.1000 6.9430 6.9430 6.9658 6.9658 7.1521 7.1521 7.1861 7.1861 7.4213 7.4213 7.4417 7.4417 9.1541 9.1541 9.1795 9.1795 k = 0.2692 0.1554 0.5482 ( 11278 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5411 -7.5411 -7.5405 -7.5405 -7.1946 -7.1946 -7.1873 -7.1873 -7.1495 -7.1495 -7.1429 -7.1429 0.6429 0.6429 0.6471 0.6471 1.2004 1.2004 1.2164 1.2164 1.6518 1.6518 1.6681 1.6681 1.9021 1.9021 1.9302 1.9302 2.4352 2.4352 2.5192 2.5192 2.6663 2.6663 2.6973 2.6973 3.1804 3.1804 3.1858 3.1858 3.6876 3.6876 3.7612 3.7612 4.0439 4.0439 4.0891 4.0891 6.9476 6.9476 6.9743 6.9743 7.1422 7.1422 7.1806 7.1806 7.4201 7.4201 7.4419 7.4419 9.1078 9.1078 9.1326 9.1326 k = 0.2885 0.1665 0.5482 ( 11290 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5310 -7.5310 -7.5303 -7.5303 -7.2029 -7.2029 -7.1955 -7.1955 -7.1527 -7.1527 -7.1460 -7.1460 0.6320 0.6320 0.6363 0.6363 1.2016 1.2016 1.2188 1.2188 1.6284 1.6284 1.6465 1.6465 1.9386 1.9386 1.9705 1.9705 2.4287 2.4287 2.5181 2.5181 2.6739 2.6739 2.7044 2.7044 3.2066 3.2066 3.2168 3.2168 3.6745 3.6745 3.7643 3.7643 4.0241 4.0241 4.0790 4.0790 6.9522 6.9522 6.9828 6.9828 7.1318 7.1318 7.1744 7.1744 7.4181 7.4181 7.4407 7.4407 9.0655 9.0655 9.0891 9.0891 k = 0.3077 0.1776 0.5482 ( 11306 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.5207 -7.5207 -7.5198 -7.5198 -7.2116 -7.2116 -7.2042 -7.2042 -7.1556 -7.1556 -7.1491 -7.1491 0.6223 0.6223 0.6267 0.6267 1.2043 1.2043 1.2227 1.2227 1.6037 1.6037 1.6234 1.6234 1.9742 1.9742 2.0100 2.0100 2.4227 2.4227 2.5164 2.5164 2.6814 2.6814 2.7109 2.7109 3.2295 3.2295 3.2452 3.2452 3.6642 3.6642 3.7710 3.7710 4.0042 4.0042 4.0696 4.0696 6.9567 6.9567 6.9911 6.9911 7.1213 7.1213 7.1677 7.1677 7.4151 7.4151 7.4381 7.4381 9.0277 9.0277 9.0496 9.0496 k = 0.3269 0.1887 0.5482 ( 11308 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.5101 -7.5101 -7.5091 -7.5091 -7.2205 -7.2205 -7.2134 -7.2134 -7.1582 -7.1582 -7.1520 -7.1520 0.6139 0.6139 0.6183 0.6183 1.2087 1.2087 1.2281 1.2281 1.5781 1.5781 1.5991 1.5991 2.0082 2.0082 2.0479 2.0479 2.4172 2.4172 2.5138 2.5138 2.6889 2.6889 2.7169 2.7169 3.2489 3.2489 3.2702 3.2702 3.6574 3.6574 3.7812 3.7812 3.9844 3.9844 4.0608 4.0608 6.9611 6.9611 6.9989 6.9989 7.1112 7.1112 7.1608 7.1608 7.4112 7.4112 7.4340 7.4340 8.9946 8.9946 9.0145 9.0145 k = 0.3462 0.1999 0.5482 ( 11312 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4994 -7.4994 -7.4983 -7.4983 -7.2297 -7.2297 -7.2228 -7.2228 -7.1605 -7.1605 -7.1547 -7.1547 0.6066 0.6066 0.6109 0.6109 1.2149 1.2149 1.2352 1.2352 1.5520 1.5520 1.5740 1.5740 2.0404 2.0404 2.0835 2.0835 2.4125 2.4125 2.5103 2.5103 2.6961 2.6961 2.7222 2.7222 3.2648 3.2648 3.2909 3.2909 3.6549 3.6549 3.7942 3.7942 3.9650 3.9650 4.0525 4.0525 6.9651 6.9651 7.0055 7.0055 7.1025 7.1025 7.1542 7.1542 7.4065 7.4065 7.4285 7.4285 8.9668 8.9668 8.9843 8.9843 k = 0.3654 0.2110 0.5482 ( 11316 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4889 -7.4889 -7.4877 -7.4877 -7.2388 -7.2388 -7.2324 -7.2324 -7.1625 -7.1625 -7.1572 -7.1572 0.6005 0.6005 0.6045 0.6045 1.2231 1.2231 1.2442 1.2442 1.5255 1.5255 1.5483 1.5483 2.0704 2.0704 2.1160 2.1160 2.4088 2.4088 2.5058 2.5058 2.7031 2.7031 2.7268 2.7268 3.2776 3.2776 3.3069 3.3069 3.6571 3.6571 3.8088 3.8088 3.9467 3.9467 4.0444 4.0444 6.9686 6.9686 7.0101 7.0101 7.0960 7.0960 7.1481 7.1481 7.4011 7.4011 7.4218 7.4218 8.9444 8.9444 8.9593 8.9593 k = 0.3846 0.2221 0.5482 ( 11320 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4786 -7.4786 -7.4773 -7.4773 -7.2477 -7.2477 -7.2419 -7.2419 -7.1641 -7.1641 -7.1595 -7.1595 0.5954 0.5954 0.5991 0.5991 1.2331 1.2331 1.2549 1.2549 1.4990 1.4990 1.5224 1.5224 2.0980 2.0980 2.1447 2.1447 2.4067 2.4067 2.5002 2.5002 2.7096 2.7096 2.7306 2.7306 3.2877 3.2877 3.3181 3.3181 3.6640 3.6640 3.8229 3.8229 3.9308 3.9308 4.0364 4.0364 6.9716 6.9716 7.0117 7.0117 7.0929 7.0929 7.1427 7.1427 7.3954 7.3954 7.4142 7.4142 8.9275 8.9275 8.9398 8.9398 k = 0.4038 0.2332 0.5482 ( 11320 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4689 -7.4689 -7.4676 -7.4676 -7.2563 -7.2563 -7.2511 -7.2511 -7.1655 -7.1655 -7.1616 -7.1616 0.5913 0.5913 0.5945 0.5945 1.2451 1.2451 1.2673 1.2673 1.4729 1.4729 1.4965 1.4965 2.1230 2.1230 2.1688 2.1688 2.4066 2.4066 2.4933 2.4933 2.7156 2.7156 2.7336 2.7336 3.2958 3.2958 3.3249 3.3249 3.6752 3.6752 3.8323 3.8323 3.9206 3.9206 4.0281 4.0281 6.9742 6.9742 7.0103 7.0103 7.0934 7.0934 7.1381 7.1381 7.3896 7.3896 7.4062 7.4062 8.9162 8.9162 8.9258 8.9258 k = 0.4231 0.2443 0.5482 ( 11314 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4600 -7.4600 -7.4587 -7.4587 -7.2640 -7.2640 -7.2596 -7.2596 -7.1666 -7.1666 -7.1634 -7.1634 0.5881 0.5881 0.5908 0.5908 1.2589 1.2589 1.2811 1.2811 1.4476 1.4476 1.4710 1.4710 2.1452 2.1452 2.1874 2.1874 2.4089 2.4089 2.4852 2.4852 2.7211 2.7211 2.7357 2.7357 3.3023 3.3023 3.3281 3.3281 3.6898 3.6898 3.8320 3.8320 3.9201 3.9201 4.0193 4.0193 6.9764 6.9764 7.0064 7.0064 7.0968 7.0968 7.1342 7.1342 7.3842 7.3842 7.3982 7.3982 8.9102 8.9102 8.9175 8.9175 k = 0.4423 0.2554 0.5482 ( 11318 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4523 -7.4523 -7.4512 -7.4512 -7.2706 -7.2706 -7.2671 -7.2671 -7.1673 -7.1673 -7.1649 -7.1649 0.5857 0.5857 0.5878 0.5878 1.2742 1.2742 1.2959 1.2959 1.4238 1.4238 1.4464 1.4464 2.1645 2.1645 2.1999 2.1999 2.4141 2.4141 2.4759 2.4759 2.7258 2.7258 2.7370 2.7370 3.3079 3.3079 3.3286 3.3286 3.7071 3.7071 3.8217 3.8217 3.9292 3.9292 4.0096 4.0096 6.9784 6.9784 7.0013 7.0013 7.1021 7.1021 7.1307 7.1307 7.3798 7.3798 7.3907 7.3907 8.9094 8.9094 8.9145 8.9145 k = 0.4615 0.2665 0.5482 ( 11326 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4462 -7.4462 -7.4454 -7.4454 -7.2756 -7.2756 -7.2732 -7.2732 -7.1677 -7.1677 -7.1661 -7.1661 0.5842 0.5842 0.5856 0.5856 1.2905 1.2905 1.3101 1.3101 1.4030 1.4030 1.4233 1.4233 2.1807 2.1807 2.2063 2.2063 2.4219 2.4219 2.4655 2.4655 2.7298 2.7298 2.7374 2.7374 3.3127 3.3127 3.3272 3.3272 3.7261 3.7261 3.8054 3.8054 3.9431 3.9431 3.9987 3.9987 6.9807 6.9807 6.9959 6.9959 7.1080 7.1080 7.1272 7.1272 7.3768 7.3768 7.3843 7.3843 8.9131 8.9131 8.9164 8.9164 k = 0.4808 0.2776 0.5482 ( 11330 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4422 -7.4422 -7.4418 -7.4418 -7.2786 -7.2786 -7.2773 -7.2773 -7.1678 -7.1678 -7.1670 -7.1670 0.5834 0.5834 0.5842 0.5842 1.3064 1.3064 1.3199 1.3199 1.3893 1.3893 1.4032 1.4032 2.1935 2.1935 2.2069 2.2069 2.4318 2.4318 2.4543 2.4543 2.7330 2.7330 2.7368 2.7368 3.3171 3.3171 3.3245 3.3245 3.7460 3.7460 3.7864 3.7864 3.9582 3.9582 3.9865 3.9865 6.9834 6.9834 6.9910 6.9910 7.1138 7.1138 7.1234 7.1234 7.3756 7.3756 7.3794 7.3794 8.9197 8.9197 8.9215 8.9215 k = 0.5000 0.2887 0.5482 ( 11316 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4407 -7.4407 -7.4407 -7.4407 -7.2792 -7.2792 -7.2792 -7.2792 -7.1675 -7.1675 -7.1675 -7.1675 0.5834 0.5834 0.5834 0.5834 1.3185 1.3185 1.3185 1.3185 1.3896 1.3896 1.3896 1.3896 2.2024 2.2024 2.2024 2.2024 2.4428 2.4428 2.4428 2.4428 2.7354 2.7354 2.7354 2.7354 3.3210 3.3210 3.3210 3.3210 3.7664 3.7664 3.7664 3.7664 3.9730 3.9730 3.9730 3.9730 6.9868 6.9868 6.9868 6.9868 7.1190 7.1190 7.1190 7.1190 7.3765 7.3765 7.3765 7.3765 8.9243 8.9243 8.9243 8.9243 k = 0.5000 0.2887 0.5482 ( 11316 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4407 -7.4407 -7.4407 -7.4407 -7.2792 -7.2792 -7.2792 -7.2792 -7.1675 -7.1675 -7.1675 -7.1675 0.5834 0.5834 0.5834 0.5834 1.3185 1.3185 1.3185 1.3185 1.3896 1.3896 1.3896 1.3896 2.2024 2.2024 2.2024 2.2024 2.4428 2.4428 2.4428 2.4428 2.7354 2.7354 2.7354 2.7354 3.3210 3.3210 3.3210 3.3210 3.7664 3.7664 3.7664 3.7664 3.9730 3.9730 3.9730 3.9730 6.9868 6.9868 6.9868 6.9868 7.1190 7.1190 7.1190 7.1190 7.3765 7.3765 7.3765 7.3765 8.9243 8.9243 8.9243 8.9243 k = 0.4889 0.3079 0.5482 ( 11320 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4404 -7.4404 -7.4404 -7.4404 -7.2790 -7.2790 -7.2790 -7.2790 -7.1680 -7.1680 -7.1680 -7.1680 0.5842 0.5842 0.5842 0.5842 1.3175 1.3175 1.3175 1.3175 1.3886 1.3886 1.3886 1.3886 2.2038 2.2038 2.2038 2.2038 2.4425 2.4425 2.4425 2.4425 2.7352 2.7352 2.7352 2.7352 3.3214 3.3214 3.3214 3.3214 3.7669 3.7669 3.7669 3.7669 3.9734 3.9734 3.9734 3.9734 6.9868 6.9868 6.9868 6.9868 7.1184 7.1184 7.1184 7.1184 7.3760 7.3760 7.3760 7.3760 8.9253 8.9253 8.9253 8.9253 k = 0.4778 0.3272 0.5482 ( 11322 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4398 -7.4398 -7.4398 -7.4398 -7.2784 -7.2784 -7.2784 -7.2784 -7.1693 -7.1693 -7.1693 -7.1693 0.5865 0.5865 0.5865 0.5865 1.3146 1.3146 1.3146 1.3146 1.3856 1.3856 1.3856 1.3856 2.2080 2.2080 2.2080 2.2080 2.4415 2.4415 2.4415 2.4415 2.7345 2.7345 2.7345 2.7345 3.3225 3.3225 3.3225 3.3225 3.7685 3.7685 3.7685 3.7685 3.9746 3.9746 3.9746 3.9746 6.9870 6.9870 6.9870 6.9870 7.1168 7.1168 7.1168 7.1168 7.3744 7.3744 7.3744 7.3744 8.9282 8.9282 8.9282 8.9282 k = 0.4667 0.3464 0.5482 ( 11316 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4386 -7.4386 -7.4386 -7.4386 -7.2776 -7.2776 -7.2776 -7.2776 -7.1714 -7.1714 -7.1714 -7.1714 0.5903 0.5903 0.5903 0.5903 1.3098 1.3098 1.3098 1.3098 1.3810 1.3810 1.3810 1.3810 2.2148 2.2148 2.2148 2.2148 2.4398 2.4398 2.4398 2.4398 2.7335 2.7335 2.7335 2.7335 3.3242 3.3242 3.3242 3.3242 3.7710 3.7710 3.7710 3.7710 3.9767 3.9767 3.9767 3.9767 6.9874 6.9874 6.9874 6.9874 7.1141 7.1141 7.1141 7.1141 7.3719 7.3719 7.3719 7.3719 8.9330 8.9330 8.9330 8.9330 k = 0.4556 0.3657 0.5482 ( 11312 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4371 -7.4371 -7.4371 -7.4371 -7.2763 -7.2763 -7.2763 -7.2763 -7.1744 -7.1744 -7.1744 -7.1744 0.5954 0.5954 0.5954 0.5954 1.3034 1.3034 1.3034 1.3034 1.3748 1.3748 1.3748 1.3748 2.2238 2.2238 2.2238 2.2238 2.4375 2.4375 2.4375 2.4375 2.7321 2.7321 2.7321 2.7321 3.3265 3.3265 3.3265 3.3265 3.7743 3.7743 3.7743 3.7743 3.9796 3.9796 3.9796 3.9796 6.9880 6.9880 6.9880 6.9880 7.1104 7.1104 7.1104 7.1104 7.3685 7.3685 7.3685 7.3685 8.9396 8.9396 8.9396 8.9396 k = 0.4444 0.3849 0.5482 ( 11312 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4351 -7.4351 -7.4351 -7.4351 -7.2748 -7.2748 -7.2748 -7.2748 -7.1782 -7.1782 -7.1782 -7.1782 0.6017 0.6017 0.6017 0.6017 1.2955 1.2955 1.2955 1.2955 1.3675 1.3675 1.3675 1.3675 2.2347 2.2347 2.2347 2.2347 2.4347 2.4347 2.4347 2.4347 2.7305 2.7305 2.7305 2.7305 3.3292 3.3292 3.3292 3.3292 3.7782 3.7782 3.7782 3.7782 3.9832 3.9832 3.9832 3.9832 6.9889 6.9889 6.9889 6.9889 7.1057 7.1057 7.1057 7.1057 7.3643 7.3643 7.3643 7.3643 8.9478 8.9478 8.9478 8.9478 k = 0.4333 0.4041 0.5482 ( 11310 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4328 -7.4328 -7.4328 -7.4328 -7.2729 -7.2729 -7.2729 -7.2729 -7.1826 -7.1826 -7.1826 -7.1826 0.6090 0.6090 0.6090 0.6090 1.2866 1.2866 1.2866 1.2866 1.3593 1.3593 1.3593 1.3593 2.2470 2.2470 2.2470 2.2470 2.4313 2.4313 2.4313 2.4313 2.7287 2.7287 2.7287 2.7287 3.3323 3.3323 3.3323 3.3323 3.7824 3.7824 3.7824 3.7824 3.9874 3.9874 3.9874 3.9874 6.9902 6.9902 6.9902 6.9902 7.1001 7.1001 7.1001 7.1001 7.3595 7.3595 7.3595 7.3595 8.9571 8.9571 8.9571 8.9571 k = 0.4222 0.4234 0.5482 ( 11310 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4302 -7.4302 -7.4302 -7.4302 -7.2708 -7.2708 -7.2708 -7.2708 -7.1877 -7.1877 -7.1877 -7.1877 0.6169 0.6169 0.6169 0.6169 1.2771 1.2771 1.2771 1.2771 1.3505 1.3505 1.3505 1.3505 2.2604 2.2604 2.2604 2.2604 2.4275 2.4275 2.4275 2.4275 2.7268 2.7268 2.7268 2.7268 3.3355 3.3355 3.3355 3.3355 3.7869 3.7869 3.7869 3.7869 3.9922 3.9922 3.9922 3.9922 6.9919 6.9919 6.9919 6.9919 7.0937 7.0937 7.0937 7.0937 7.3543 7.3543 7.3543 7.3543 8.9668 8.9668 8.9668 8.9668 k = 0.4111 0.4426 0.5482 ( 11310 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4274 -7.4274 -7.4274 -7.4274 -7.2683 -7.2683 -7.2683 -7.2683 -7.1933 -7.1933 -7.1933 -7.1933 0.6251 0.6251 0.6251 0.6251 1.2678 1.2678 1.2678 1.2678 1.3411 1.3411 1.3411 1.3411 2.2742 2.2742 2.2742 2.2742 2.4233 2.4233 2.4233 2.4233 2.7249 2.7249 2.7249 2.7249 3.3388 3.3388 3.3388 3.3388 3.7912 3.7912 3.7912 3.7912 3.9973 3.9973 3.9973 3.9973 6.9941 6.9941 6.9941 6.9941 7.0866 7.0866 7.0866 7.0866 7.3488 7.3488 7.3488 7.3488 8.9763 8.9763 8.9763 8.9763 k = 0.4000 0.4619 0.5482 ( 11316 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4244 -7.4244 -7.4244 -7.4244 -7.2657 -7.2657 -7.2657 -7.2657 -7.1992 -7.1992 -7.1992 -7.1992 0.6333 0.6333 0.6333 0.6333 1.2591 1.2591 1.2591 1.2591 1.3314 1.3314 1.3314 1.3314 2.2882 2.2882 2.2882 2.2882 2.4188 2.4188 2.4188 2.4188 2.7231 2.7231 2.7231 2.7231 3.3419 3.3419 3.3419 3.3419 3.7954 3.7954 3.7954 3.7954 4.0026 4.0026 4.0026 4.0026 6.9969 6.9969 6.9969 6.9969 7.0790 7.0790 7.0790 7.0790 7.3434 7.3434 7.3434 7.3434 8.9858 8.9858 8.9858 8.9858 k = 0.3889 0.4811 0.5482 ( 11284 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4214 -7.4214 -7.4214 -7.4214 -7.2628 -7.2628 -7.2628 -7.2628 -7.2053 -7.2053 -7.2053 -7.2053 0.6410 0.6410 0.6410 0.6410 1.2518 1.2518 1.2518 1.2518 1.3215 1.3215 1.3215 1.3215 2.3019 2.3019 2.3019 2.3019 2.4140 2.4140 2.4140 2.4140 2.7215 2.7215 2.7215 2.7215 3.3448 3.3448 3.3448 3.3448 3.7991 3.7991 3.7991 3.7991 4.0077 4.0077 4.0077 4.0077 7.0002 7.0002 7.0002 7.0002 7.0711 7.0711 7.0711 7.0711 7.3382 7.3382 7.3382 7.3382 8.9957 8.9957 8.9957 8.9957 k = 0.3778 0.5004 0.5482 ( 11288 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3927 -23.3927 -23.3927 -23.3927 -7.4185 -7.4185 -7.4185 -7.4185 -7.2599 -7.2599 -7.2599 -7.2599 -7.2114 -7.2114 -7.2114 -7.2114 0.6480 0.6480 0.6480 0.6480 1.2465 1.2465 1.2465 1.2465 1.3116 1.3116 1.3116 1.3116 2.3148 2.3148 2.3148 2.3148 2.4090 2.4090 2.4090 2.4090 2.7202 2.7202 2.7202 2.7202 3.3474 3.3474 3.3474 3.3474 3.8024 3.8024 3.8024 3.8024 4.0124 4.0124 4.0124 4.0124 7.0041 7.0041 7.0041 7.0041 7.0630 7.0630 7.0630 7.0630 7.3334 7.3334 7.3334 7.3334 9.0067 9.0067 9.0067 9.0067 k = 0.3667 0.5196 0.5482 ( 11272 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4159 -7.4159 -7.4159 -7.4159 -7.2571 -7.2571 -7.2571 -7.2571 -7.2171 -7.2171 -7.2171 -7.2171 0.6537 0.6537 0.6537 0.6537 1.2435 1.2435 1.2435 1.2435 1.3019 1.3019 1.3019 1.3019 2.3266 2.3266 2.3266 2.3266 2.4039 2.4039 2.4039 2.4039 2.7190 2.7190 2.7190 2.7190 3.3495 3.3495 3.3495 3.3495 3.8050 3.8050 3.8050 3.8050 4.0164 4.0164 4.0164 4.0164 7.0086 7.0086 7.0086 7.0086 7.0551 7.0551 7.0551 7.0551 7.3294 7.3294 7.3294 7.3294 9.0189 9.0189 9.0189 9.0189 k = 0.3556 0.5389 0.5482 ( 11260 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4137 -7.4137 -7.4137 -7.4137 -7.2546 -7.2546 -7.2546 -7.2546 -7.2219 -7.2219 -7.2219 -7.2219 0.6580 0.6580 0.6580 0.6580 1.2430 1.2430 1.2430 1.2430 1.2930 1.2930 1.2930 1.2930 2.3366 2.3366 2.3366 2.3366 2.3990 2.3990 2.3990 2.3990 2.7183 2.7183 2.7183 2.7183 3.3510 3.3510 3.3510 3.3510 3.8071 3.8071 3.8071 3.8071 4.0195 4.0195 4.0195 4.0195 7.0132 7.0132 7.0132 7.0132 7.0478 7.0478 7.0478 7.0478 7.3263 7.3263 7.3263 7.3263 9.0326 9.0326 9.0326 9.0326 k = 0.3444 0.5581 0.5482 ( 11260 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4122 -7.4122 -7.4122 -7.4122 -7.2529 -7.2529 -7.2529 -7.2529 -7.2252 -7.2252 -7.2252 -7.2252 0.6605 0.6605 0.6605 0.6605 1.2444 1.2444 1.2444 1.2444 1.2858 1.2858 1.2858 1.2858 2.3437 2.3437 2.3437 2.3437 2.3952 2.3952 2.3952 2.3952 2.7178 2.7178 2.7178 2.7178 3.3520 3.3520 3.3520 3.3520 3.8083 3.8083 3.8083 3.8083 4.0213 4.0213 4.0213 4.0213 7.0175 7.0175 7.0175 7.0175 7.0419 7.0419 7.0419 7.0419 7.3243 7.3243 7.3243 7.3243 9.0479 9.0479 9.0479 9.0479 k = 0.3333 0.5774 0.5482 ( 11268 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4117 -7.4117 -7.4117 -7.4117 -7.2523 -7.2523 -7.2523 -7.2523 -7.2264 -7.2264 -7.2264 -7.2264 0.6614 0.6614 0.6614 0.6614 1.2456 1.2456 1.2456 1.2456 1.2826 1.2826 1.2826 1.2826 2.3464 2.3464 2.3464 2.3464 2.3936 2.3936 2.3936 2.3936 2.7176 2.7176 2.7176 2.7176 3.3523 3.3523 3.3523 3.3523 3.8088 3.8088 3.8088 3.8088 4.0220 4.0220 4.0220 4.0220 7.0194 7.0194 7.0194 7.0194 7.0394 7.0394 7.0394 7.0394 7.3236 7.3236 7.3236 7.3236 9.0634 9.0634 9.0634 9.0634 k = 0.3333 0.5774 0.5482 ( 11268 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4117 -7.4117 -7.4117 -7.4117 -7.2523 -7.2523 -7.2523 -7.2523 -7.2264 -7.2264 -7.2264 -7.2264 0.6614 0.6614 0.6614 0.6614 1.2456 1.2456 1.2456 1.2456 1.2826 1.2826 1.2826 1.2826 2.3464 2.3464 2.3464 2.3464 2.3936 2.3936 2.3936 2.3936 2.7176 2.7176 2.7176 2.7176 3.3523 3.3523 3.3523 3.3523 3.8088 3.8088 3.8088 3.8088 4.0220 4.0220 4.0220 4.0220 7.0194 7.0194 7.0194 7.0194 7.0394 7.0394 7.0394 7.0394 7.3236 7.3236 7.3236 7.3236 9.0634 9.0634 9.0634 9.0634 k = 0.3218 0.5574 0.5482 ( 11260 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4124 -7.4124 -7.4124 -7.4124 -7.2527 -7.2527 -7.2527 -7.2527 -7.2253 -7.2253 -7.2253 -7.2253 0.6605 0.6605 0.6605 0.6605 1.2434 1.2434 1.2434 1.2434 1.2868 1.2868 1.2868 1.2868 2.3434 2.3434 2.3434 2.3434 2.3954 2.3954 2.3954 2.3954 2.7178 2.7178 2.7178 2.7178 3.3520 3.3520 3.3520 3.3520 3.8082 3.8082 3.8082 3.8082 4.0213 4.0213 4.0213 4.0213 7.0174 7.0174 7.0174 7.0174 7.0420 7.0420 7.0420 7.0420 7.3244 7.3244 7.3244 7.3244 9.0418 9.0418 9.0418 9.0418 k = 0.3103 0.5375 0.5482 ( 11268 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4145 -7.4145 -7.4145 -7.4145 -7.2533 -7.2533 -7.2533 -7.2533 -7.2224 -7.2224 -7.2224 -7.2224 0.6581 0.6581 0.6581 0.6581 1.2377 1.2377 1.2377 1.2377 1.2988 1.2988 1.2988 1.2988 2.3349 2.3349 2.3349 2.3349 2.3998 2.3998 2.3998 2.3998 2.7182 2.7182 2.7182 2.7182 3.3509 3.3509 3.3509 3.3509 3.8065 3.8065 3.8065 3.8065 4.0195 4.0195 4.0195 4.0195 7.0133 7.0133 7.0133 7.0133 7.0479 7.0479 7.0479 7.0479 7.3268 7.3268 7.3268 7.3268 9.0132 9.0132 9.0132 9.0132 k = 0.2989 0.5176 0.5482 ( 11266 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4182 -7.4182 -7.4182 -7.4182 -7.2533 -7.2533 -7.2533 -7.2533 -7.2184 -7.2184 -7.2184 -7.2184 0.6546 0.6546 0.6546 0.6546 1.2304 1.2304 1.2304 1.2304 1.3162 1.3162 1.3162 1.3162 2.3223 2.3223 2.3223 2.3223 2.4054 2.4054 2.4054 2.4054 2.7187 2.7187 2.7187 2.7187 3.3492 3.3492 3.3492 3.3492 3.8033 3.8033 3.8033 3.8033 4.0169 4.0169 4.0169 4.0169 7.0089 7.0089 7.0089 7.0089 7.0551 7.0551 7.0551 7.0551 7.3309 7.3309 7.3309 7.3309 8.9838 8.9838 8.9838 8.9838 k = 0.2874 0.4977 0.5482 ( 11262 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4236 -7.4236 -7.4236 -7.4236 -7.2522 -7.2522 -7.2522 -7.2522 -7.2138 -7.2138 -7.2138 -7.2138 0.6502 0.6502 0.6502 0.6502 1.2230 1.2230 1.2230 1.2230 1.3374 1.3374 1.3374 1.3374 2.3064 2.3064 2.3064 2.3064 2.4113 2.4113 2.4113 2.4113 2.7192 2.7192 2.7192 2.7192 3.3467 3.3467 3.3467 3.3467 3.7983 3.7983 3.7983 3.7983 4.0139 4.0139 4.0139 4.0139 7.0048 7.0048 7.0048 7.0048 7.0629 7.0629 7.0629 7.0629 7.3366 7.3366 7.3366 7.3366 8.9571 8.9571 8.9571 8.9571 k = 0.2759 0.4778 0.5482 ( 11280 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4305 -7.4305 -7.4305 -7.4305 -7.2498 -7.2498 -7.2498 -7.2498 -7.2088 -7.2088 -7.2088 -7.2088 0.6455 0.6455 0.6455 0.6455 1.2158 1.2158 1.2158 1.2158 1.3614 1.3614 1.3614 1.3614 2.2872 2.2872 2.2872 2.2872 2.4173 2.4173 2.4173 2.4173 2.7196 2.7196 2.7196 2.7196 3.3436 3.3436 3.3436 3.3436 3.7915 3.7915 3.7915 3.7915 4.0112 4.0112 4.0112 4.0112 7.0011 7.0011 7.0011 7.0011 7.0712 7.0712 7.0712 7.0712 7.3438 7.3438 7.3438 7.3438 8.9351 8.9351 8.9351 8.9351 k = 0.2644 0.4579 0.5482 ( 11296 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3927 -23.3927 -23.3927 -23.3927 -7.4387 -7.4387 -7.4387 -7.4387 -7.2463 -7.2463 -7.2463 -7.2463 -7.2035 -7.2035 -7.2035 -7.2035 0.6408 0.6408 0.6408 0.6408 1.2094 1.2094 1.2094 1.2094 1.3876 1.3876 1.3876 1.3876 2.2651 2.2651 2.2651 2.2651 2.4230 2.4230 2.4230 2.4230 2.7197 2.7197 2.7197 2.7197 3.3395 3.3395 3.3395 3.3395 3.7826 3.7826 3.7826 3.7826 4.0093 4.0093 4.0093 4.0093 6.9977 6.9977 6.9977 6.9977 7.0797 7.0797 7.0797 7.0797 7.3523 7.3523 7.3523 7.3523 8.9188 8.9188 8.9188 8.9188 k = 0.2529 0.4380 0.5482 ( 11296 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4479 -7.4479 -7.4479 -7.4479 -7.2417 -7.2417 -7.2417 -7.2417 -7.1981 -7.1981 -7.1981 -7.1981 0.6366 0.6366 0.6366 0.6366 1.2037 1.2037 1.2037 1.2037 1.4153 1.4153 1.4153 1.4153 2.2399 2.2399 2.2399 2.2399 2.4286 2.4286 2.4286 2.4286 2.7193 2.7193 2.7193 2.7193 3.3344 3.3344 3.3344 3.3344 3.7720 3.7720 3.7720 3.7720 4.0088 4.0088 4.0088 4.0088 6.9945 6.9945 6.9945 6.9945 7.0884 7.0884 7.0884 7.0884 7.3617 7.3617 7.3617 7.3617 8.9091 8.9091 8.9091 8.9091 k = 0.2414 0.4181 0.5482 ( 11300 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4580 -7.4580 -7.4580 -7.4580 -7.2363 -7.2363 -7.2363 -7.2363 -7.1925 -7.1925 -7.1925 -7.1925 0.6330 0.6330 0.6330 0.6330 1.1990 1.1990 1.1990 1.1990 1.4441 1.4441 1.4441 1.4441 2.2118 2.2118 2.2118 2.2118 2.4340 2.4340 2.4340 2.4340 2.7183 2.7183 2.7183 2.7183 3.3278 3.3278 3.3278 3.3278 3.7601 3.7601 3.7601 3.7601 4.0100 4.0100 4.0100 4.0100 6.9911 6.9911 6.9911 6.9911 7.0975 7.0975 7.0975 7.0975 7.3716 7.3716 7.3716 7.3716 8.9064 8.9064 8.9064 8.9064 k = 0.2299 0.3982 0.5482 ( 11300 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4688 -7.4688 -7.4688 -7.4688 -7.2303 -7.2303 -7.2303 -7.2303 -7.1869 -7.1869 -7.1869 -7.1869 0.6306 0.6306 0.6306 0.6306 1.1953 1.1953 1.1953 1.1953 1.4734 1.4734 1.4734 1.4734 2.1809 2.1809 2.1809 2.1809 2.4393 2.4393 2.4393 2.4393 2.7166 2.7166 2.7166 2.7166 3.3192 3.3192 3.3192 3.3192 3.7478 3.7478 3.7478 3.7478 4.0130 4.0130 4.0130 4.0130 6.9875 6.9875 6.9875 6.9875 7.1068 7.1068 7.1068 7.1068 7.3817 7.3817 7.3817 7.3817 8.9108 8.9108 8.9108 8.9108 k = 0.2184 0.3783 0.5482 ( 11300 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4799 -7.4799 -7.4799 -7.4799 -7.2238 -7.2238 -7.2238 -7.2238 -7.1813 -7.1813 -7.1813 -7.1813 0.6294 0.6294 0.6294 0.6294 1.1927 1.1927 1.1927 1.1927 1.5030 1.5030 1.5030 1.5030 2.1473 2.1473 2.1473 2.1473 2.4445 2.4445 2.4445 2.4445 2.7140 2.7140 2.7140 2.7140 3.3081 3.3081 3.3081 3.3081 3.7362 3.7362 3.7362 3.7362 4.0180 4.0180 4.0180 4.0180 6.9837 6.9837 6.9837 6.9837 7.1163 7.1163 7.1163 7.1163 7.3915 7.3915 7.3915 7.3915 8.9224 8.9224 8.9224 8.9224 k = 0.2069 0.3584 0.5482 ( 11296 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3928 -23.3928 -23.3928 -23.3928 -7.4912 -7.4912 -7.4912 -7.4912 -7.2170 -7.2170 -7.2170 -7.2170 -7.1756 -7.1756 -7.1756 -7.1756 0.6297 0.6297 0.6297 0.6297 1.1911 1.1911 1.1911 1.1911 1.5323 1.5323 1.5323 1.5323 2.1112 2.1112 2.1112 2.1112 2.4495 2.4495 2.4495 2.4495 2.7106 2.7106 2.7106 2.7106 3.2939 3.2939 3.2939 3.2939 3.7264 3.7264 3.7264 3.7264 4.0247 4.0247 4.0247 4.0247 6.9794 6.9794 6.9794 6.9794 7.1259 7.1259 7.1259 7.1259 7.4006 7.4006 7.4006 7.4006 8.9410 8.9410 8.9410 8.9410 k = 0.1954 0.3384 0.5482 ( 11296 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3928 -23.3928 -23.3928 -23.3928 -7.5026 -7.5026 -7.5026 -7.5026 -7.2100 -7.2100 -7.2100 -7.2100 -7.1700 -7.1700 -7.1700 -7.1700 0.6316 0.6316 0.6316 0.6316 1.1905 1.1905 1.1905 1.1905 1.5612 1.5612 1.5612 1.5612 2.0729 2.0729 2.0729 2.0729 2.4544 2.4544 2.4544 2.4544 2.7063 2.7063 2.7063 2.7063 3.2759 3.2759 3.2759 3.2759 3.7194 3.7194 3.7194 3.7194 4.0331 4.0331 4.0331 4.0331 6.9748 6.9748 6.9748 6.9748 7.1355 7.1355 7.1355 7.1355 7.4087 7.4087 7.4087 7.4087 8.9665 8.9665 8.9665 8.9665 k = 0.1839 0.3185 0.5482 ( 11304 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.5139 -7.5139 -7.5139 -7.5139 -7.2030 -7.2030 -7.2030 -7.2030 -7.1645 -7.1645 -7.1645 -7.1645 0.6353 0.6353 0.6353 0.6353 1.1909 1.1909 1.1909 1.1909 1.5892 1.5892 1.5892 1.5892 2.0328 2.0328 2.0328 2.0328 2.4593 2.4593 2.4593 2.4593 2.7011 2.7011 2.7011 2.7011 3.2541 3.2541 3.2541 3.2541 3.7159 3.7159 3.7159 3.7159 4.0429 4.0429 4.0429 4.0429 6.9698 6.9698 6.9698 6.9698 7.1448 7.1448 7.1448 7.1448 7.4155 7.4155 7.4155 7.4155 8.9984 8.9984 8.9984 8.9984 k = 0.1724 0.2986 0.5482 ( 11292 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3928 -23.3928 -23.3928 -23.3928 -7.5250 -7.5250 -7.5250 -7.5250 -7.1960 -7.1960 -7.1960 -7.1960 -7.1591 -7.1591 -7.1591 -7.1591 0.6409 0.6409 0.6409 0.6409 1.1922 1.1922 1.1922 1.1922 1.6160 1.6160 1.6160 1.6160 1.9913 1.9913 1.9913 1.9913 2.4640 2.4640 2.4640 2.4640 2.6952 2.6952 2.6952 2.6952 3.2286 3.2286 3.2286 3.2286 3.7162 3.7162 3.7162 3.7162 4.0541 4.0541 4.0541 4.0541 6.9646 6.9646 6.9646 6.9646 7.1537 7.1537 7.1537 7.1537 7.4209 7.4209 7.4209 7.4209 9.0362 9.0362 9.0362 9.0362 k = 0.1609 0.2787 0.5482 ( 11292 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3928 -23.3928 -23.3928 -23.3928 -7.5357 -7.5357 -7.5357 -7.5357 -7.1892 -7.1892 -7.1892 -7.1892 -7.1538 -7.1538 -7.1538 -7.1538 0.6485 0.6485 0.6485 0.6485 1.1943 1.1943 1.1943 1.1943 1.6414 1.6414 1.6414 1.6414 1.9490 1.9490 1.9490 1.9490 2.4686 2.4686 2.4686 2.4686 2.6885 2.6885 2.6885 2.6885 3.1997 3.1997 3.1997 3.1997 3.7201 3.7201 3.7201 3.7201 4.0664 4.0664 4.0664 4.0664 6.9592 6.9592 6.9592 6.9592 7.1620 7.1620 7.1620 7.1620 7.4248 7.4248 7.4248 7.4248 9.0794 9.0794 9.0794 9.0794 k = 0.1494 0.2588 0.5482 ( 11296 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3928 -23.3928 -23.3928 -23.3928 -7.5461 -7.5461 -7.5461 -7.5461 -7.1827 -7.1827 -7.1827 -7.1827 -7.1486 -7.1486 -7.1486 -7.1486 0.6579 0.6579 0.6579 0.6579 1.1970 1.1970 1.1970 1.1970 1.6647 1.6647 1.6647 1.6647 1.9067 1.9067 1.9067 1.9067 2.4732 2.4732 2.4732 2.4732 2.6811 2.6811 2.6811 2.6811 3.1682 3.1682 3.1682 3.1682 3.7271 3.7271 3.7271 3.7271 4.0798 4.0798 4.0798 4.0798 6.9536 6.9536 6.9536 6.9536 7.1695 7.1695 7.1695 7.1695 7.4273 7.4273 7.4273 7.4273 9.1273 9.1273 9.1273 9.1273 k = 0.1379 0.2389 0.5482 ( 11294 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3928 -23.3928 -23.3928 -23.3928 -7.5560 -7.5560 -7.5560 -7.5560 -7.1764 -7.1764 -7.1764 -7.1764 -7.1436 -7.1436 -7.1436 -7.1436 0.6693 0.6693 0.6693 0.6693 1.2002 1.2002 1.2002 1.2002 1.6850 1.6850 1.6850 1.6850 1.8656 1.8656 1.8656 1.8656 2.4777 2.4777 2.4777 2.4777 2.6733 2.6733 2.6733 2.6733 3.1349 3.1349 3.1349 3.1349 3.7367 3.7367 3.7367 3.7367 4.0939 4.0939 4.0939 4.0939 6.9480 6.9480 6.9480 6.9480 7.1761 7.1761 7.1761 7.1761 7.4283 7.4283 7.4283 7.4283 9.1790 9.1790 9.1790 9.1790 k = 0.1264 0.2190 0.5482 ( 11270 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5653 -7.5653 -7.5653 -7.5653 -7.1705 -7.1705 -7.1705 -7.1705 -7.1389 -7.1389 -7.1389 -7.1389 0.6825 0.6825 0.6825 0.6825 1.2034 1.2034 1.2034 1.2034 1.7002 1.7002 1.7002 1.7002 1.8282 1.8282 1.8282 1.8282 2.4821 2.4821 2.4821 2.4821 2.6650 2.6650 2.6650 2.6650 3.1007 3.1007 3.1007 3.1007 3.7481 3.7481 3.7481 3.7481 4.1087 4.1087 4.1087 4.1087 6.9425 6.9425 6.9425 6.9425 7.1817 7.1817 7.1817 7.1817 7.4282 7.4282 7.4282 7.4282 9.2338 9.2338 9.2338 9.2338 k = 0.1149 0.1991 0.5482 ( 11276 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1780 -31.1780 -31.1780 -31.1780 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5740 -7.5740 -7.5740 -7.5740 -7.1651 -7.1651 -7.1651 -7.1651 -7.1343 -7.1343 -7.1343 -7.1343 0.6974 0.6974 0.6974 0.6974 1.2066 1.2066 1.2066 1.2066 1.7047 1.7047 1.7047 1.7047 1.8008 1.8008 1.8008 1.8008 2.4865 2.4865 2.4865 2.4865 2.6565 2.6565 2.6565 2.6565 3.0664 3.0664 3.0664 3.0664 3.7605 3.7605 3.7605 3.7605 4.1239 4.1239 4.1239 4.1239 6.9370 6.9370 6.9370 6.9370 7.1862 7.1862 7.1862 7.1862 7.4271 7.4271 7.4271 7.4271 9.2907 9.2907 9.2907 9.2907 k = 0.1034 0.1792 0.5482 ( 11264 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.5821 -7.5821 -7.5821 -7.5821 -7.1600 -7.1600 -7.1600 -7.1600 -7.1301 -7.1301 -7.1301 -7.1301 0.7139 0.7139 0.7139 0.7139 1.2092 1.2092 1.2092 1.2092 1.6907 1.6907 1.6907 1.6907 1.7915 1.7915 1.7915 1.7915 2.4909 2.4909 2.4909 2.4909 2.6477 2.6477 2.6477 2.6477 3.0328 3.0328 3.0328 3.0328 3.7734 3.7734 3.7734 3.7734 4.1393 4.1393 4.1393 4.1393 6.9316 6.9316 6.9316 6.9316 7.1897 7.1897 7.1897 7.1897 7.4253 7.4253 7.4253 7.4253 9.3485 9.3485 9.3485 9.3485 k = 0.0920 0.1593 0.5482 ( 11250 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.5894 -7.5894 -7.5894 -7.5894 -7.1555 -7.1555 -7.1555 -7.1555 -7.1262 -7.1262 -7.1262 -7.1262 0.7317 0.7317 0.7317 0.7317 1.2110 1.2110 1.2110 1.2110 1.6630 1.6630 1.6630 1.6630 1.7963 1.7963 1.7963 1.7963 2.4955 2.4955 2.4955 2.4955 2.6388 2.6388 2.6388 2.6388 3.0008 3.0008 3.0008 3.0008 3.7862 3.7862 3.7862 3.7862 4.1545 4.1545 4.1545 4.1545 6.9265 6.9265 6.9265 6.9265 7.1921 7.1921 7.1921 7.1921 7.4230 7.4230 7.4230 7.4230 9.4061 9.4061 9.4061 9.4061 k = 0.0805 0.1394 0.5482 ( 11256 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.5959 -7.5959 -7.5959 -7.5959 -7.1515 -7.1515 -7.1515 -7.1515 -7.1226 -7.1226 -7.1226 -7.1226 0.7504 0.7504 0.7504 0.7504 1.2114 1.2114 1.2114 1.2114 1.6315 1.6315 1.6315 1.6315 1.8060 1.8060 1.8060 1.8060 2.5001 2.5001 2.5001 2.5001 2.6299 2.6299 2.6299 2.6299 2.9708 2.9708 2.9708 2.9708 3.7983 3.7983 3.7983 3.7983 4.1692 4.1692 4.1692 4.1692 6.9217 6.9217 6.9217 6.9217 7.1936 7.1936 7.1936 7.1936 7.4204 7.4204 7.4204 7.4204 9.4623 9.4623 9.4623 9.4623 k = 0.0690 0.1195 0.5482 ( 11252 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6017 -7.6017 -7.6017 -7.6017 -7.1480 -7.1480 -7.1480 -7.1480 -7.1194 -7.1194 -7.1194 -7.1194 0.7696 0.7696 0.7696 0.7696 1.2103 1.2103 1.2103 1.2103 1.6011 1.6011 1.6011 1.6011 1.8163 1.8163 1.8163 1.8163 2.5049 2.5049 2.5049 2.5049 2.6210 2.6210 2.6210 2.6210 2.9436 2.9436 2.9436 2.9436 3.8094 3.8094 3.8094 3.8094 4.1831 4.1831 4.1831 4.1831 6.9173 6.9173 6.9173 6.9173 7.1944 7.1944 7.1944 7.1944 7.4179 7.4179 7.4179 7.4179 9.5156 9.5156 9.5156 9.5156 k = 0.0575 0.0995 0.5482 ( 11256 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6066 -7.6066 -7.6066 -7.6066 -7.1451 -7.1451 -7.1451 -7.1451 -7.1166 -7.1166 -7.1166 -7.1166 0.7887 0.7887 0.7887 0.7887 1.2073 1.2073 1.2073 1.2073 1.5739 1.5739 1.5739 1.5739 1.8258 1.8258 1.8258 1.8258 2.5099 2.5099 2.5099 2.5099 2.6123 2.6123 2.6123 2.6123 2.9197 2.9197 2.9197 2.9197 3.8192 3.8192 3.8192 3.8192 4.1957 4.1957 4.1957 4.1957 6.9133 6.9133 6.9133 6.9133 7.1945 7.1945 7.1945 7.1945 7.4155 7.4155 7.4155 7.4155 9.5644 9.5644 9.5644 9.5644 k = 0.0460 0.0796 0.5482 ( 11252 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6107 -7.6107 -7.6107 -7.6107 -7.1426 -7.1426 -7.1426 -7.1426 -7.1143 -7.1143 -7.1143 -7.1143 0.8069 0.8069 0.8069 0.8069 1.2028 1.2028 1.2028 1.2028 1.5512 1.5512 1.5512 1.5512 1.8339 1.8339 1.8339 1.8339 2.5151 2.5151 2.5151 2.5151 2.6039 2.6039 2.6039 2.6039 2.8996 2.8996 2.8996 2.8996 3.8275 3.8275 3.8275 3.8275 4.2067 4.2067 4.2067 4.2067 6.9099 6.9099 6.9099 6.9099 7.1943 7.1943 7.1943 7.1943 7.4134 7.4134 7.4134 7.4134 9.6070 9.6070 9.6070 9.6070 k = 0.0345 0.0597 0.5482 ( 11248 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6138 -7.6138 -7.6138 -7.6138 -7.1408 -7.1408 -7.1408 -7.1408 -7.1125 -7.1125 -7.1125 -7.1125 0.8230 0.8230 0.8230 0.8230 1.1972 1.1972 1.1972 1.1972 1.5335 1.5335 1.5335 1.5335 1.8403 1.8403 1.8403 1.8403 2.5202 2.5202 2.5202 2.5202 2.5962 2.5962 2.5962 2.5962 2.8835 2.8835 2.8835 2.8835 3.8341 3.8341 3.8341 3.8341 4.2156 4.2156 4.2156 4.2156 6.9072 6.9072 6.9072 6.9072 7.1939 7.1939 7.1939 7.1939 7.4117 7.4117 7.4117 7.4117 9.6413 9.6413 9.6413 9.6413 k = 0.0230 0.0398 0.5482 ( 11236 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6161 -7.6161 -7.6161 -7.6161 -7.1394 -7.1394 -7.1394 -7.1394 -7.1111 -7.1111 -7.1111 -7.1111 0.8359 0.8359 0.8359 0.8359 1.1918 1.1918 1.1918 1.1918 1.5210 1.5210 1.5210 1.5210 1.8449 1.8449 1.8449 1.8449 2.5248 2.5248 2.5248 2.5248 2.5896 2.5896 2.5896 2.5896 2.8719 2.8719 2.8719 2.8719 3.8389 3.8389 3.8389 3.8389 4.2222 4.2222 4.2222 4.2222 6.9051 6.9051 6.9051 6.9051 7.1934 7.1934 7.1934 7.1934 7.4104 7.4104 7.4104 7.4104 9.6650 9.6650 9.6650 9.6650 k = 0.0115 0.0199 0.5482 ( 11248 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6175 -7.6175 -7.6175 -7.6175 -7.1386 -7.1386 -7.1386 -7.1386 -7.1103 -7.1103 -7.1103 -7.1103 0.8443 0.8443 0.8443 0.8443 1.1877 1.1877 1.1877 1.1877 1.5136 1.5136 1.5136 1.5136 1.8477 1.8477 1.8477 1.8477 2.5282 2.5282 2.5282 2.5282 2.5849 2.5849 2.5849 2.5849 2.8649 2.8649 2.8649 2.8649 3.8418 3.8418 3.8418 3.8418 4.2263 4.2263 4.2263 4.2263 6.9039 6.9039 6.9039 6.9039 7.1931 7.1931 7.1931 7.1931 7.4097 7.4097 7.4097 7.4097 9.6777 9.6777 9.6777 9.6777 k = 0.0000 0.0000 0.5482 ( 11248 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5320 -23.5320 -23.5320 -23.5320 -23.3927 -23.3927 -23.3927 -23.3927 -7.6180 -7.6180 -7.6180 -7.6180 -7.1383 -7.1383 -7.1383 -7.1383 -7.1101 -7.1101 -7.1101 -7.1101 0.8472 0.8472 0.8472 0.8472 1.1862 1.1862 1.1862 1.1862 1.5111 1.5111 1.5111 1.5111 1.8487 1.8487 1.8487 1.8487 2.5295 2.5295 2.5295 2.5295 2.5832 2.5832 2.5832 2.5832 2.8625 2.8625 2.8625 2.8625 3.8428 3.8428 3.8428 3.8428 4.2277 4.2277 4.2277 4.2277 6.9035 6.9035 6.9035 6.9035 7.1929 7.1929 7.1929 7.1929 7.4094 7.4094 7.4094 7.4094 9.6814 9.6814 9.6814 9.6814 k = 0.5000 0.2887 0.5482 ( 11316 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1781 -31.1781 -31.1781 -31.1781 -23.5322 -23.5322 -23.5322 -23.5322 -23.3928 -23.3928 -23.3928 -23.3928 -7.4407 -7.4407 -7.4407 -7.4407 -7.2792 -7.2792 -7.2792 -7.2792 -7.1675 -7.1675 -7.1675 -7.1675 0.5834 0.5834 0.5834 0.5834 1.3185 1.3185 1.3185 1.3185 1.3896 1.3896 1.3896 1.3896 2.2024 2.2024 2.2024 2.2024 2.4428 2.4428 2.4428 2.4428 2.7354 2.7354 2.7354 2.7354 3.3210 3.3210 3.3210 3.3210 3.7664 3.7664 3.7664 3.7664 3.9730 3.9730 3.9730 3.9730 6.9868 6.9868 6.9868 6.9868 7.1190 7.1190 7.1190 7.1190 7.3765 7.3765 7.3765 7.3765 8.9243 8.9243 8.9243 8.9243 k = 0.5000 0.2887 0.5253 ( 11320 PWs) bands (ev): -56.8603 -56.8603 -56.8595 -56.8595 -31.1794 -31.1794 -31.1767 -31.1767 -23.5340 -23.5340 -23.5304 -23.5304 -23.4008 -23.4008 -23.3848 -23.3848 -7.4664 -7.4664 -7.4148 -7.4148 -7.2872 -7.2872 -7.2711 -7.2711 -7.1682 -7.1682 -7.1669 -7.1669 0.5619 0.5619 0.6046 0.6046 1.3139 1.3139 1.3232 1.3232 1.3650 1.3650 1.4166 1.4166 2.1869 2.1869 2.2170 2.2170 2.4260 2.4260 2.4590 2.4590 2.7030 2.7030 2.7721 2.7721 3.2808 3.2808 3.3580 3.3580 3.7423 3.7423 3.7789 3.7789 3.9664 3.9664 3.9866 3.9866 6.9553 6.9553 6.9886 6.9886 7.0645 7.0645 7.1871 7.1871 7.3555 7.3555 7.4186 7.4186 8.9131 8.9131 8.9240 8.9240 k = 0.5000 0.2887 0.5025 ( 11308 PWs) bands (ev): -56.8607 -56.8607 -56.8591 -56.8591 -31.1807 -31.1807 -31.1754 -31.1754 -23.5358 -23.5358 -23.5285 -23.5285 -23.4087 -23.4087 -23.3768 -23.3768 -7.4919 -7.4919 -7.3889 -7.3889 -7.2951 -7.2951 -7.2630 -7.2630 -7.1688 -7.1688 -7.1663 -7.1663 0.5402 0.5402 0.6250 0.6250 1.3094 1.3094 1.3278 1.3278 1.3430 1.3430 1.4458 1.4458 2.1714 2.1714 2.2296 2.2296 2.4087 2.4087 2.4742 2.4742 2.6764 2.6764 2.8119 2.8119 3.2374 3.2374 3.3914 3.3914 3.7091 3.7091 3.7796 3.7796 3.9675 3.9675 4.0051 4.0051 6.8797 6.8797 6.9711 6.9711 7.0608 7.0608 7.2370 7.2370 7.3468 7.3468 7.4895 7.4895 8.9049 8.9049 8.9108 8.9108 k = 0.5000 0.2887 0.4797 ( 11304 PWs) bands (ev): -56.8611 -56.8611 -56.8587 -56.8587 -31.1821 -31.1821 -31.1740 -31.1740 -23.5375 -23.5375 -23.5268 -23.5268 -23.4165 -23.4165 -23.3689 -23.3689 -7.5170 -7.5170 -7.3632 -7.3632 -7.3030 -7.3030 -7.2550 -7.2550 -7.1694 -7.1694 -7.1658 -7.1658 0.5185 0.5185 0.6444 0.6444 1.3048 1.3048 1.3244 1.3244 1.3323 1.3323 1.4771 1.4771 2.1565 2.1565 2.2393 2.2393 2.3910 2.3910 2.4882 2.4882 2.6566 2.6566 2.8539 2.8539 3.1911 3.1911 3.4208 3.4208 3.6695 3.6695 3.7715 3.7715 3.9735 3.9735 4.0261 4.0261 6.7831 6.7831 6.9526 6.9526 7.0761 7.0761 7.2682 7.2682 7.3455 7.3455 7.5846 7.5846 8.8983 8.8983 8.9026 8.9026 k = 0.5000 0.2887 0.4568 ( 11300 PWs) bands (ev): -56.8614 -56.8614 -56.8583 -56.8583 -31.1834 -31.1834 -31.1727 -31.1727 -23.5393 -23.5393 -23.5251 -23.5251 -23.4241 -23.4241 -23.3610 -23.3610 -7.5417 -7.5417 -7.3378 -7.3378 -7.3106 -7.3106 -7.2469 -7.2469 -7.1701 -7.1701 -7.1652 -7.1652 0.4971 0.4971 0.6621 0.6621 1.2980 1.2980 1.3117 1.3117 1.3367 1.3367 1.5106 1.5106 2.1426 2.1426 2.2449 2.2449 2.3728 2.3728 2.5012 2.5012 2.6447 2.6447 2.8971 2.8971 3.1420 3.1420 3.4454 3.4454 3.6257 3.6257 3.7587 3.7587 3.9810 3.9810 4.0479 4.0479 6.6819 6.6819 6.9345 6.9345 7.0962 7.0962 7.2894 7.2894 7.3495 7.3495 7.6933 7.6933 8.8898 8.8898 8.9062 8.9062 k = 0.5000 0.2887 0.4340 ( 11304 PWs) bands (ev): -56.8618 -56.8618 -56.8579 -56.8579 -31.1847 -31.1847 -31.1714 -31.1714 -23.5410 -23.5410 -23.5233 -23.5233 -23.4317 -23.4317 -23.3532 -23.3532 -7.5658 -7.5658 -7.3189 -7.3189 -7.3122 -7.3122 -7.2388 -7.2388 -7.1707 -7.1707 -7.1647 -7.1647 0.4761 0.4761 0.6778 0.6778 1.2878 1.2878 1.3066 1.3066 1.3411 1.3411 1.5461 1.5461 2.1299 2.1299 2.2459 2.2459 2.3542 2.3542 2.5137 2.5137 2.6405 2.6405 2.9404 2.9404 3.0905 3.0905 3.4631 3.4631 3.5808 3.5808 3.7452 3.7452 3.9873 3.9873 4.0696 4.0696 6.5803 6.5803 6.9168 6.9168 7.1187 7.1187 7.3060 7.3060 7.3578 7.3578 7.8087 7.8087 8.8856 8.8856 8.9154 8.9154 k = 0.5000 0.2887 0.4111 ( 11302 PWs) bands (ev): -56.8622 -56.8622 -56.8575 -56.8575 -31.1860 -31.1860 -31.1702 -31.1702 -23.5427 -23.5427 -23.5216 -23.5216 -23.4391 -23.4391 -23.3457 -23.3457 -7.5892 -7.5892 -7.3259 -7.3259 -7.2886 -7.2886 -7.2306 -7.2306 -7.1713 -7.1713 -7.1641 -7.1641 0.4555 0.4555 0.6909 0.6909 1.2787 1.2787 1.3051 1.3051 1.3458 1.3458 1.5836 1.5836 2.1188 2.1188 2.2425 2.2425 2.3352 2.3352 2.5262 2.5262 2.6428 2.6428 2.9825 2.9825 3.0369 3.0369 3.4675 3.4675 3.5417 3.5417 3.7339 3.7339 3.9908 3.9908 4.0905 4.0905 6.4798 6.4798 6.8992 6.8992 7.1431 7.1431 7.3204 7.3204 7.3697 7.3697 7.9271 7.9271 8.8858 8.8858 8.9292 8.9292 k = 0.5000 0.2887 0.3883 ( 11304 PWs) bands (ev): -56.8626 -56.8626 -56.8572 -56.8572 -31.1872 -31.1872 -31.1689 -31.1689 -23.5443 -23.5443 -23.5200 -23.5200 -23.4462 -23.4462 -23.3383 -23.3383 -7.6119 -7.6119 -7.3331 -7.3331 -7.2658 -7.2658 -7.2219 -7.2219 -7.1718 -7.1718 -7.1635 -7.1635 0.4354 0.4354 0.7009 0.7009 1.2728 1.2728 1.3050 1.3050 1.3513 1.3513 1.6229 1.6229 2.1092 2.1092 2.2354 2.2354 2.3162 2.3162 2.5390 2.5390 2.6499 2.6499 2.9800 2.9800 3.0239 3.0239 3.4437 3.4437 3.5235 3.5235 3.7271 3.7271 3.9908 3.9908 4.1105 4.1105 6.3810 6.3810 6.8819 6.8819 7.1690 7.1690 7.3339 7.3339 7.3846 7.3846 8.0455 8.0455 8.8904 8.8904 8.9455 8.9455 k = 0.5000 0.2887 0.3655 ( 11284 PWs) bands (ev): -56.8629 -56.8629 -56.8568 -56.8568 -31.1884 -31.1884 -31.1677 -31.1677 -23.5458 -23.5458 -23.5184 -23.5184 -23.4531 -23.4531 -23.3310 -23.3310 -7.6338 -7.6338 -7.3401 -7.3401 -7.2453 -7.2453 -7.2123 -7.2123 -7.1720 -7.1720 -7.1627 -7.1627 0.4159 0.4159 0.7075 0.7075 1.2708 1.2708 1.3057 1.3057 1.3584 1.3584 1.6639 1.6639 2.1011 2.1011 2.2257 2.2257 2.2976 2.2976 2.5519 2.5519 2.6600 2.6600 2.9232 2.9232 3.0603 3.0603 3.3990 3.3990 3.5201 3.5201 3.7263 3.7263 3.9870 3.9870 4.1296 4.1296 6.2843 6.2843 6.8649 6.8649 7.1961 7.1961 7.3471 7.3471 7.4020 7.4020 8.1610 8.1610 8.8990 8.8990 8.9613 8.9613 k = 0.5000 0.2887 0.3426 ( 11296 PWs) bands (ev): -56.8632 -56.8632 -56.8565 -56.8565 -31.1896 -31.1896 -31.1665 -31.1665 -23.5473 -23.5473 -23.5169 -23.5169 -23.4598 -23.4598 -23.3241 -23.3241 -7.6547 -7.6547 -7.3468 -7.3468 -7.2286 -7.2286 -7.2010 -7.2010 -7.1717 -7.1717 -7.1613 -7.1613 0.3972 0.3972 0.7104 0.7104 1.2729 1.2729 1.3066 1.3066 1.3676 1.3676 1.7066 1.7066 2.0944 2.0944 2.2145 2.2145 2.2803 2.2803 2.5640 2.5640 2.6715 2.6715 2.8655 2.8655 3.0914 3.0914 3.3489 3.3489 3.5181 3.5181 3.7317 3.7317 3.9799 3.9799 4.1477 4.1477 6.1898 6.1898 6.8483 6.8483 7.2239 7.2239 7.3604 7.3604 7.4216 7.4216 8.2697 8.2697 8.9116 8.9116 8.9732 8.9732 k = 0.5000 0.2887 0.3198 ( 11306 PWs) bands (ev): -56.8636 -56.8636 -56.8562 -56.8562 -31.1908 -31.1908 -31.1655 -31.1655 -23.5488 -23.5488 -23.5154 -23.5154 -23.4661 -23.4661 -23.3174 -23.3174 -7.6747 -7.6747 -7.3532 -7.3532 -7.2164 -7.2164 -7.1895 -7.1895 -7.1703 -7.1703 -7.1579 -7.1579 0.3791 0.3791 0.7099 0.7099 1.2786 1.2786 1.3076 1.3076 1.3797 1.3797 1.7505 1.7505 2.0889 2.0889 2.2024 2.2024 2.2649 2.2649 2.5744 2.5744 2.6823 2.6823 2.8088 2.8088 3.1141 3.1141 3.2995 3.2995 3.5152 3.5152 3.7423 3.7423 3.9703 3.9703 4.1650 4.1650 6.0979 6.0979 6.8321 6.8321 7.2516 7.2516 7.3745 7.3745 7.4427 7.4427 8.3656 8.3656 8.9276 8.9276 8.9819 8.9819 k = 0.5000 0.2887 0.2969 ( 11316 PWs) bands (ev): -56.8639 -56.8639 -56.8559 -56.8559 -31.1919 -31.1919 -31.1645 -31.1645 -23.5502 -23.5502 -23.5141 -23.5141 -23.4721 -23.4721 -23.3111 -23.3111 -7.6935 -7.6935 -7.3593 -7.3593 -7.2075 -7.2075 -7.1827 -7.1827 -7.1678 -7.1678 -7.1489 -7.1489 0.3619 0.3619 0.7061 0.7061 1.2868 1.2868 1.3095 1.3095 1.3949 1.3949 1.7956 1.7956 2.0841 2.0841 2.1902 2.1902 2.2522 2.2522 2.5822 2.5822 2.6861 2.6861 2.7591 2.7591 3.1236 3.1236 3.2560 3.2560 3.5126 3.5126 3.7564 3.7564 3.9600 3.9600 4.1815 4.1815 6.0085 6.0085 6.8166 6.8166 7.2779 7.2779 7.3901 7.3901 7.4649 7.4649 8.4405 8.4405 8.9473 8.9473 8.9956 8.9956 k = 0.5000 0.2887 0.2741 ( 11320 PWs) bands (ev): -56.8642 -56.8642 -56.8556 -56.8556 -31.1929 -31.1929 -31.1635 -31.1635 -23.5515 -23.5515 -23.5128 -23.5128 -23.4778 -23.4778 -23.3051 -23.3051 -7.7113 -7.7113 -7.3651 -7.3651 -7.2003 -7.2003 -7.1805 -7.1805 -7.1662 -7.1662 -7.1341 -7.1341 0.3455 0.3455 0.6996 0.6996 1.2940 1.2940 1.3152 1.3152 1.4133 1.4133 1.8411 1.8411 2.0796 2.0796 2.1782 2.1782 2.2433 2.2433 2.5861 2.5861 2.6627 2.6627 2.7372 2.7372 3.1124 3.1124 3.2257 3.2257 3.5114 3.5114 3.7710 3.7710 3.9516 3.9516 4.1973 4.1973 5.9218 5.9218 6.8018 6.8018 7.3017 7.3017 7.4082 7.4082 7.4877 7.4877 8.4867 8.4867 8.9712 8.9712 9.0246 9.0246 k = 0.5000 0.2887 0.2512 ( 11302 PWs) bands (ev): -56.8644 -56.8644 -56.8553 -56.8553 -31.1938 -31.1938 -31.1626 -31.1626 -23.5527 -23.5527 -23.5115 -23.5115 -23.4830 -23.4830 -23.2994 -23.2994 -7.7278 -7.7278 -7.3705 -7.3705 -7.1941 -7.1941 -7.1799 -7.1799 -7.1654 -7.1654 -7.1174 -7.1174 0.3300 0.3300 0.6911 0.6911 1.2963 1.2963 1.3282 1.3282 1.4346 1.4346 1.8866 1.8866 2.0750 2.0750 2.1670 2.1670 2.2387 2.2387 2.5800 2.5800 2.6206 2.6206 2.7400 2.7400 3.0798 3.0798 3.2099 3.2099 3.5123 3.5123 3.7821 3.7821 3.9495 3.9495 4.2123 4.2123 5.8381 5.8381 6.7878 6.7878 7.3218 7.3218 7.4291 7.4291 7.5106 7.5106 8.5033 8.5033 8.9986 8.9986 9.0726 9.0726 k = 0.5000 0.2887 0.2284 ( 11296 PWs) bands (ev): -56.8647 -56.8647 -56.8551 -56.8551 -31.1947 -31.1947 -31.1617 -31.1617 -23.5538 -23.5538 -23.5104 -23.5104 -23.4879 -23.4879 -23.2942 -23.2942 -7.7432 -7.7432 -7.3755 -7.3755 -7.1889 -7.1889 -7.1797 -7.1797 -7.1649 -7.1649 -7.1007 -7.1007 0.3156 0.3156 0.6811 0.6811 1.2957 1.2957 1.3462 1.3462 1.4583 1.4583 1.9309 1.9309 2.0703 2.0703 2.1572 2.1572 2.2390 2.2390 2.5433 2.5433 2.6009 2.6009 2.7470 2.7470 3.0362 3.0362 3.1996 3.1996 3.5152 3.5152 3.7852 3.7852 3.9583 3.9583 4.2265 4.2265 5.7575 5.7575 6.7746 6.7746 7.3378 7.3378 7.4529 7.4529 7.5332 7.5332 8.4972 8.4972 9.0279 9.0279 9.1348 9.1348 k = 0.5000 0.2887 0.2056 ( 11284 PWs) bands (ev): -56.8649 -56.8649 -56.8548 -56.8548 -31.1954 -31.1954 -31.1609 -31.1609 -23.5549 -23.5549 -23.5093 -23.5093 -23.4924 -23.4924 -23.2893 -23.2893 -7.7572 -7.7572 -7.3801 -7.3801 -7.1849 -7.1849 -7.1790 -7.1790 -7.1646 -7.1646 -7.0849 -7.0849 0.3022 0.3022 0.6702 0.6702 1.2940 1.2940 1.3673 1.3673 1.4838 1.4838 1.9713 1.9713 2.0663 2.0663 2.1497 2.1497 2.2446 2.2446 2.4910 2.4910 2.5937 2.5937 2.7525 2.7525 2.9897 2.9897 3.1888 3.1888 3.5194 3.5194 3.7792 3.7792 3.9792 3.9792 4.2398 4.2398 5.6804 5.6804 6.7624 6.7624 7.3502 7.3502 7.4783 7.4783 7.5550 7.5550 8.4777 8.4777 9.0583 9.0583 9.2024 9.2024 k = 0.5000 0.2887 0.1827 ( 11290 PWs) bands (ev): -56.8651 -56.8651 -56.8546 -56.8546 -31.1961 -31.1961 -31.1603 -31.1603 -23.5558 -23.5558 -23.5083 -23.5083 -23.4964 -23.4964 -23.2850 -23.2850 -7.7698 -7.7698 -7.3843 -7.3843 -7.1830 -7.1830 -7.1769 -7.1769 -7.1644 -7.1644 -7.0702 -7.0702 0.2900 0.2900 0.6591 0.6591 1.2919 1.2919 1.3904 1.3904 1.5104 1.5104 2.0017 2.0017 2.0666 2.0666 2.1469 2.1469 2.2551 2.2551 2.4383 2.4383 2.5861 2.5861 2.7543 2.7543 2.9441 2.9441 3.1762 3.1762 3.5241 3.5241 3.7669 3.7669 4.0094 4.0094 4.2522 4.2522 5.6072 5.6072 6.7513 6.7513 7.3598 7.3598 7.5042 7.5042 7.5755 7.5755 8.4518 8.4518 9.0893 9.0893 9.2690 9.2690 k = 0.5000 0.2887 0.1599 ( 11276 PWs) bands (ev): -56.8653 -56.8653 -56.8544 -56.8544 -31.1967 -31.1967 -31.1597 -31.1597 -23.5567 -23.5567 -23.5074 -23.5074 -23.5000 -23.5000 -23.2811 -23.2811 -7.7811 -7.7811 -7.3880 -7.3880 -7.1827 -7.1827 -7.1738 -7.1738 -7.1642 -7.1642 -7.0569 -7.0569 0.2790 0.2790 0.6482 0.6482 1.2896 1.2896 1.4148 1.4148 1.5373 1.5373 2.0127 2.0127 2.0754 2.0754 2.1529 2.1529 2.2704 2.2704 2.3885 2.3885 2.5766 2.5766 2.7506 2.7506 2.9021 2.9021 3.1621 3.1621 3.5284 3.5284 3.7519 3.7519 4.0449 4.0449 4.2634 4.2634 5.5384 5.5384 6.7413 6.7413 7.3672 7.3672 7.5292 7.5292 7.5945 7.5945 8.4241 8.4241 9.1199 9.1199 9.3301 9.3301 k = 0.5000 0.2887 0.1370 ( 11286 PWs) bands (ev): -56.8655 -56.8655 -56.8543 -56.8543 -31.1973 -31.1973 -31.1591 -31.1591 -23.5574 -23.5574 -23.5066 -23.5066 -23.5032 -23.5032 -23.2777 -23.2777 -7.7910 -7.7910 -7.3913 -7.3913 -7.1827 -7.1827 -7.1707 -7.1707 -7.1641 -7.1641 -7.0452 -7.0452 0.2693 0.2693 0.6380 0.6380 1.2873 1.2873 1.4399 1.4399 1.5635 1.5635 2.0083 2.0083 2.0845 2.0845 2.1716 2.1716 2.2884 2.2884 2.3445 2.3445 2.5655 2.5655 2.7388 2.7388 2.8666 2.8666 3.1477 3.1477 3.5318 3.5318 3.7369 3.7369 4.0827 4.0827 4.2734 4.2734 5.4748 5.4748 6.7325 6.7325 7.3730 7.3730 7.5523 7.5523 7.6117 7.6117 8.3971 8.3971 9.1493 9.1493 9.3785 9.3785 k = 0.5000 0.2887 0.1142 ( 11288 PWs) bands (ev): -56.8656 -56.8656 -56.8541 -56.8541 -31.1978 -31.1978 -31.1587 -31.1587 -23.5581 -23.5581 -23.5060 -23.5060 -23.5059 -23.5059 -23.2747 -23.2747 -7.7994 -7.7994 -7.3940 -7.3940 -7.1830 -7.1830 -7.1680 -7.1680 -7.1640 -7.1640 -7.0351 -7.0351 0.2610 0.2610 0.6288 0.6288 1.2853 1.2853 1.4649 1.4649 1.5881 1.5881 1.9974 1.9974 2.0883 2.0883 2.1983 2.1983 2.2895 2.2895 2.3274 2.3274 2.5533 2.5533 2.7175 2.7175 2.8398 2.8398 3.1337 3.1337 3.5339 3.5339 3.7236 3.7236 4.1203 4.1203 4.2820 4.2820 5.4172 5.4172 6.7249 6.7249 7.3776 7.3776 7.5729 7.5729 7.6267 7.6267 8.3725 8.3725 9.1766 9.1766 9.3950 9.3950 k = 0.5000 0.2887 0.0914 ( 11288 PWs) bands (ev): -56.8657 -56.8657 -56.8540 -56.8540 -31.1982 -31.1982 -31.1583 -31.1583 -23.5586 -23.5586 -23.5081 -23.5081 -23.5055 -23.5055 -23.2723 -23.2723 -7.8063 -7.8063 -7.3963 -7.3963 -7.1832 -7.1832 -7.1659 -7.1659 -7.1639 -7.1639 -7.0267 -7.0267 0.2541 0.2541 0.6209 0.6209 1.2834 1.2834 1.4888 1.4888 1.6102 1.6102 1.9840 1.9840 2.0897 2.0897 2.2232 2.2232 2.2626 2.2626 2.3508 2.3508 2.5408 2.5408 2.6881 2.6881 2.8211 2.8211 3.1210 3.1210 3.5346 3.5346 3.7130 3.7130 4.1553 4.1553 4.2892 4.2892 5.3670 5.3670 6.7187 6.7187 7.3811 7.3811 7.5902 7.5902 7.6393 7.6393 8.3514 8.3514 9.2006 9.2006 9.3864 9.3864 k = 0.5000 0.2887 0.0685 ( 11278 PWs) bands (ev): -56.8658 -56.8658 -56.8539 -56.8539 -31.1986 -31.1986 -31.1579 -31.1579 -23.5590 -23.5590 -23.5099 -23.5099 -23.5051 -23.5051 -23.2703 -23.2703 -7.8117 -7.8117 -7.3981 -7.3981 -7.1834 -7.1834 -7.1646 -7.1646 -7.1633 -7.1633 -7.0201 -7.0201 0.2487 0.2487 0.6146 0.6146 1.2820 1.2820 1.5102 1.5102 1.6288 1.6288 1.9701 1.9701 2.0908 2.0908 2.2216 2.2216 2.2608 2.2608 2.3817 2.3817 2.5285 2.5285 2.6552 2.6552 2.8079 2.8079 3.1106 3.1106 3.5342 3.5342 3.7053 3.7053 4.1857 4.1857 4.2947 4.2947 5.3256 5.3256 6.7138 6.7138 7.3837 7.3837 7.6039 7.6039 7.6495 7.6495 8.3345 8.3345 9.2204 9.2204 9.3742 9.3742 k = 0.5000 0.2887 0.0457 ( 11272 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1987 -31.1987 -31.1577 -31.1577 -23.5592 -23.5592 -23.5111 -23.5111 -23.5048 -23.5048 -23.2690 -23.2690 -7.8155 -7.8155 -7.3994 -7.3994 -7.1835 -7.1835 -7.1643 -7.1643 -7.1623 -7.1623 -7.0154 -7.0154 0.2448 0.2448 0.6099 0.6099 1.2809 1.2809 1.5276 1.5276 1.6430 1.6430 1.9578 1.9578 2.0922 2.0922 2.2028 2.2028 2.2774 2.2774 2.4142 2.4142 2.5163 2.5163 2.6236 2.6236 2.7983 2.7983 3.1028 3.1028 3.5333 3.5333 3.7002 3.7002 4.2094 4.2094 4.2985 4.2985 5.2944 5.2944 6.7102 6.7102 7.3855 7.3855 7.6138 7.6138 7.6569 7.6569 8.3222 8.3222 9.2353 9.2353 9.3641 9.3641 k = 0.5000 0.2887 0.0228 ( 11284 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1989 -31.1989 -31.1576 -31.1576 -23.5594 -23.5594 -23.5119 -23.5119 -23.5046 -23.5046 -23.2682 -23.2682 -7.8178 -7.8178 -7.4002 -7.4002 -7.1836 -7.1836 -7.1642 -7.1642 -7.1616 -7.1616 -7.0125 -7.0125 0.2424 0.2424 0.6071 0.6071 1.2802 1.2802 1.5390 1.5390 1.6518 1.6518 1.9491 1.9491 2.0937 2.0937 2.1895 2.1895 2.2893 2.2893 2.4446 2.4446 2.5030 2.5030 2.5993 2.5993 2.7923 2.7923 3.0980 3.0980 3.5325 3.5325 3.6973 3.6973 4.2246 4.2246 4.3007 4.3007 5.2749 5.2749 6.7081 6.7081 7.3865 7.3865 7.6198 7.6198 7.6614 7.6614 8.3147 8.3147 9.2444 9.2444 9.3577 9.3577 k = 0.5000 0.2887-0.0000 ( 11290 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1576 -31.1576 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2679 -23.2679 -7.8186 -7.8186 -7.4004 -7.4004 -7.1836 -7.1836 -7.1642 -7.1642 -7.1614 -7.1614 -7.0116 -7.0116 0.2416 0.2416 0.6061 0.6061 1.2800 1.2800 1.5430 1.5430 1.6548 1.6548 1.9460 1.9460 2.0943 2.0943 2.1849 2.1849 2.2935 2.2935 2.4620 2.4620 2.4926 2.4926 2.5898 2.5898 2.7902 2.7902 3.0963 3.0963 3.5322 3.5322 3.6964 3.6964 4.2299 4.2299 4.3015 4.3015 5.2683 5.2683 6.7074 6.7074 7.3869 7.3869 7.6218 7.6218 7.6630 7.6630 8.3122 8.3122 9.2476 9.2476 9.3555 9.3555 k = 0.3333 0.5774-0.0000 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1991 -31.1991 -31.1575 -31.1575 -23.5595 -23.5595 -23.5122 -23.5122 -23.5046 -23.5046 -23.2678 -23.2678 -7.7759 -7.7759 -7.3705 -7.3705 -7.3248 -7.3248 -7.1404 -7.1404 -7.1312 -7.1312 -7.0070 -7.0070 0.3743 0.3743 0.6624 0.6624 1.2704 1.2704 1.6129 1.6129 1.6305 1.6305 1.6855 1.6855 1.8968 1.8968 1.9623 1.9623 2.2054 2.2054 2.6880 2.6880 2.6956 2.6956 2.7682 2.7682 2.9640 2.9640 3.0539 3.0539 3.5483 3.5483 3.5800 3.5800 4.0340 4.0340 4.4163 4.4163 5.2128 5.2128 6.8657 6.8657 7.0820 7.0820 7.6053 7.6053 7.6617 7.6617 8.9063 8.9063 8.9854 8.9854 9.3511 9.3511 k = 0.3333 0.5774 0.0228 ( 11280 PWs) bands (ev): -56.8659 -56.8659 -56.8538 -56.8538 -31.1990 -31.1990 -31.1575 -31.1575 -23.5594 -23.5594 -23.5120 -23.5120 -23.5047 -23.5047 -23.2681 -23.2681 -7.7751 -7.7751 -7.3702 -7.3702 -7.3245 -7.3245 -7.1406 -7.1406 -7.1314 -7.1314 -7.0079 -7.0079 0.3740 0.3740 0.6645 0.6645 1.2704 1.2704 1.6037 1.6037 1.6318 1.6318 1.6820 1.6820 1.8997 1.8997 1.9686 1.9686 2.2093 2.2093 2.6851 2.6851 2.6860 2.6860 2.7754 2.7754 2.9632 2.9632 3.0570 3.0570 3.5530 3.5530 3.5806 3.5806 4.0302 4.0302 4.4154 4.4154 5.2192 5.2192 6.8661 6.8661 7.0822 7.0822 7.6030 7.6030 7.6603 7.6603 8.9049 8.9049 8.9827 8.9827 9.3433 9.3433 k = 0.3333 0.5774 0.0457 ( 11289 PWs) bands (ev): -56.8659 -56.8659 -56.8539 -56.8539 -31.1989 -31.1989 -31.1576 -31.1576 -23.5592 -23.5592 -23.5112 -23.5112 -23.5049 -23.5049 -23.2689 -23.2689 -7.7729 -7.7729 -7.3695 -7.3695 -7.3239 -7.3239 -7.1414 -7.1414 -7.1320 -7.1320 -7.0106 -7.0106 0.3732 0.3732 0.6705 0.6705 1.2704 1.2704 1.5821 1.5821 1.6315 1.6315 1.6717 1.6717 1.9058 1.9058 1.9881 1.9881 2.2203 2.2203 2.6614 2.6614 2.6800 2.6800 2.7893 2.7893 2.9612 2.9612 3.0663 3.0663 3.5668 3.5668 3.5826 3.5826 4.0188 4.0188 4.4128 4.4128 5.2383 5.2383 6.8670 6.8670 7.0830 7.0830 7.5962 7.5962 7.6562 7.6562 8.9006 8.9006 8.9750 8.9750 9.3206 9.3206 k = 0.3333 0.5774 0.0685 ( 11286 PWs) bands (ev): -56.8658 -56.8658 -56.8539 -56.8539 -31.1986 -31.1986 -31.1579 -31.1579 -23.5589 -23.5589 -23.5099 -23.5099 -23.5052 -23.5052 -23.2703 -23.2703 -7.7691 -7.7691 -7.3682 -7.3682 -7.3228 -7.3228 -7.1427 -7.1427 -7.1330 -7.1330 -7.0150 -7.0150 0.3721 0.3721 0.6801 0.6801 1.2704 1.2704 1.5536 1.5536 1.6281 1.6281 1.6558 1.6558 1.9121 1.9121 2.0198 2.0198 2.2371 2.2371 2.6331 2.6331 2.6699 2.6699 2.8021 2.8021 2.9594 2.9594 3.0809 3.0809 3.5859 3.5859 3.5884 3.5884 4.0010 4.0010 4.4084 4.4084 5.2692 5.2692 6.8686 6.8686 7.0843 7.0843 7.5849 7.5849 7.6494 7.6494 8.8939 8.8939 8.9628 8.9628 9.2853 9.2853 k = 0.3333 0.5774 0.0914 ( 11286 PWs) bands (ev): -56.8657 -56.8657 -56.8540 -56.8540 -31.1983 -31.1983 -31.1582 -31.1582 -23.5585 -23.5585 -23.5082 -23.5082 -23.5056 -23.5056 -23.2722 -23.2722 -7.7639 -7.7639 -7.3665 -7.3665 -7.3214 -7.3214 -7.1445 -7.1445 -7.1344 -7.1344 -7.0212 -7.0212 0.3713 0.3713 0.6927 0.6927 1.2703 1.2703 1.5216 1.5216 1.6222 1.6222 1.6358 1.6358 1.9179 1.9179 2.0606 2.0606 2.2576 2.2576 2.6039 2.6039 2.6559 2.6559 2.8113 2.8113 2.9596 2.9596 3.0996 3.0996 3.5903 3.5903 3.6164 3.6164 3.9778 3.9778 4.4025 4.4025 5.3107 5.3107 6.8708 6.8708 7.0860 7.0860 7.5694 7.5694 7.6400 7.6400 8.8852 8.8852 8.9469 8.9469 9.2403 9.2403 k = 0.3333 0.5774 0.1142 ( 11301 PWs) bands (ev): -56.8656 -56.8656 -56.8541 -56.8541 -31.1979 -31.1979 -31.1586 -31.1586 -23.5580 -23.5580 -23.5061 -23.5061 -23.5060 -23.5060 -23.2747 -23.2747 -7.7572 -7.7572 -7.3643 -7.3643 -7.3195 -7.3195 -7.1468 -7.1468 -7.1362 -7.1362 -7.0291 -7.0291 0.3709 0.3709 0.7075 0.7075 1.2702 1.2702 1.4880 1.4880 1.6129 1.6129 1.6138 1.6138 1.9240 1.9240 2.1070 2.1070 2.2799 2.2799 2.5757 2.5757 2.6385 2.6385 2.8169 2.8169 2.9636 2.9636 3.1208 3.1208 3.5958 3.5958 3.6490 3.6490 3.9508 3.9508 4.3949 4.3949 5.3614 5.3614 6.8736 6.8736 7.0882 7.0882 7.5499 7.5499 7.6282 7.6282 8.8750 8.8750 8.9281 8.9281 9.1883 9.1883 k = 0.3333 0.5774 0.1370 ( 11301 PWs) bands (ev): -56.8655 -56.8655 -56.8543 -56.8543 -31.1974 -31.1974 -31.1591 -31.1591 -23.5574 -23.5574 -23.5067 -23.5067 -23.5033 -23.5033 -23.2777 -23.2777 -7.7491 -7.7491 -7.3616 -7.3616 -7.3172 -7.3172 -7.1497 -7.1497 -7.1383 -7.1383 -7.0386 -7.0386 0.3715 0.3715 0.7240 0.7240 1.2699 1.2699 1.4543 1.4543 1.5885 1.5885 1.6033 1.6033 1.9310 1.9310 2.1566 2.1566 2.3019 2.3019 2.5497 2.5497 2.6185 2.6185 2.8194 2.8194 2.9728 2.9728 3.1427 3.1427 3.6021 3.6021 3.6845 3.6845 3.9216 3.9216 4.3858 4.3858 5.4200 5.4200 6.8770 6.8770 7.0908 7.0908 7.5267 7.5267 7.6139 7.6139 8.8642 8.8642 8.9074 8.9074 9.1317 9.1317 k = 0.3333 0.5774 0.1599 ( 11301 PWs) bands (ev): -56.8653 -56.8653 -56.8544 -56.8544 -31.1968 -31.1968 -31.1597 -31.1597 -23.5567 -23.5567 -23.5074 -23.5074 -23.5000 -23.5000 -23.2811 -23.2811 -7.7395 -7.7395 -7.3584 -7.3584 -7.3145 -7.3145 -7.1530 -7.1530 -7.1409 -7.1409 -7.0496 -7.0496 0.3733 0.3733 0.7412 0.7412 1.2694 1.2694 1.4213 1.4213 1.5635 1.5635 1.5906 1.5906 1.9394 1.9394 2.2074 2.2074 2.3218 2.3218 2.5274 2.5274 2.5968 2.5968 2.8196 2.8196 2.9881 2.9881 3.1635 3.1635 3.6090 3.6090 3.7216 3.7216 3.8916 3.8916 4.3754 4.3754 5.4853 5.4853 6.8809 6.8809 7.0939 7.0939 7.5002 7.5002 7.5975 7.5975 8.8533 8.8533 8.8851 8.8851 9.0719 9.0719 k = 0.3333 0.5774 0.1827 ( 11304 PWs) bands (ev): -56.8651 -56.8651 -56.8546 -56.8546 -31.1961 -31.1961 -31.1603 -31.1603 -23.5559 -23.5559 -23.5083 -23.5083 -23.4964 -23.4964 -23.2850 -23.2850 -7.7286 -7.7286 -7.3548 -7.3548 -7.3114 -7.3114 -7.1569 -7.1569 -7.1438 -7.1438 -7.0622 -7.0622 0.3767 0.3767 0.7583 0.7583 1.2687 1.2687 1.3896 1.3896 1.5385 1.5385 1.5758 1.5758 1.9498 1.9498 2.2571 2.2571 2.3382 2.3382 2.5102 2.5102 2.5746 2.5746 2.8184 2.8184 3.0101 3.0101 3.1817 3.1817 3.6159 3.6159 3.7591 3.7591 3.8624 3.8624 4.3636 4.3636 5.5562 5.5562 6.8852 6.8852 7.0972 7.0972 7.4710 7.4710 7.5792 7.5792 8.8430 8.8430 8.8609 8.8609 9.0107 9.0107 k = 0.3333 0.5774 0.2056 ( 11292 PWs) bands (ev): -56.8649 -56.8649 -56.8548 -56.8548 -31.1954 -31.1954 -31.1610 -31.1610 -23.5549 -23.5549 -23.5093 -23.5093 -23.4924 -23.4924 -23.2894 -23.2894 -7.7163 -7.7163 -7.3508 -7.3508 -7.3080 -7.3080 -7.1613 -7.1613 -7.1470 -7.1470 -7.0761 -7.0761 0.3818 0.3818 0.7748 0.7748 1.2677 1.2677 1.3597 1.3597 1.5141 1.5141 1.5591 1.5591 1.9624 1.9624 2.3028 2.3028 2.3501 2.3501 2.5004 2.5004 2.5528 2.5528 2.8168 2.8168 3.0389 3.0389 3.1957 3.1957 3.6224 3.6224 3.7957 3.7957 3.8356 3.8356 4.3506 4.3506 5.6319 5.6319 6.8901 6.8901 7.1009 7.1009 7.4395 7.4395 7.5592 7.5592 8.8316 8.8316 8.8338 8.8338 8.9507 8.9507 k = 0.3333 0.5774 0.2284 ( 11304 PWs) bands (ev): -56.8647 -56.8647 -56.8551 -56.8551 -31.1946 -31.1946 -31.1618 -31.1618 -23.5539 -23.5539 -23.5103 -23.5103 -23.4879 -23.4879 -23.2942 -23.2942 -7.7027 -7.7027 -7.3463 -7.3463 -7.3042 -7.3042 -7.1663 -7.1663 -7.1506 -7.1506 -7.0913 -7.0913 0.3887 0.3887 0.7897 0.7897 1.2665 1.2665 1.3318 1.3318 1.4907 1.4907 1.5405 1.5405 1.9777 1.9777 2.3402 2.3402 2.3569 2.3569 2.5012 2.5012 2.5324 2.5324 2.8159 2.8159 3.0742 3.0742 3.2043 3.2043 3.6275 3.6275 3.8129 3.8129 3.8306 3.8306 4.3365 4.3365 5.7116 5.7116 6.8953 6.8953 7.1050 7.1050 7.4062 7.4062 7.5379 7.5379 8.7881 8.7881 8.8263 8.8263 8.8999 8.8999 k = 0.3333 0.5774 0.2512 ( 11316 PWs) bands (ev): -56.8644 -56.8644 -56.8553 -56.8553 -31.1938 -31.1938 -31.1626 -31.1626 -23.5527 -23.5527 -23.5115 -23.5115 -23.4830 -23.4830 -23.2995 -23.2995 -7.6879 -7.6879 -7.3414 -7.3414 -7.3001 -7.3001 -7.1719 -7.1719 -7.1545 -7.1545 -7.1076 -7.1076 0.3975 0.3975 0.8025 0.8025 1.2651 1.2651 1.3061 1.3061 1.4684 1.4684 1.5203 1.5203 1.9960 1.9960 2.3590 2.3590 2.3652 2.3652 2.5139 2.5139 2.5149 2.5149 2.8174 2.8174 3.1154 3.1154 3.2064 3.2064 3.6301 3.6301 3.7960 3.7960 3.8628 3.8628 4.3214 4.3214 5.7948 5.7948 6.9009 6.9009 7.1092 7.1092 7.3718 7.3718 7.5156 7.5156 8.7195 8.7195 8.8210 8.8210 8.8670 8.8670 k = 0.3333 0.5774 0.2741 ( 11310 PWs) bands (ev): -56.8642 -56.8642 -56.8556 -56.8556 -31.1928 -31.1928 -31.1635 -31.1635 -23.5515 -23.5515 -23.5127 -23.5127 -23.4777 -23.4777 -23.3051 -23.3051 -7.6719 -7.6719 -7.3362 -7.3362 -7.2957 -7.2957 -7.1783 -7.1783 -7.1587 -7.1587 -7.1246 -7.1246 0.4084 0.4084 0.8125 0.8125 1.2635 1.2635 1.2829 1.2829 1.4473 1.4473 1.4987 1.4987 2.0174 2.0174 2.3569 2.3569 2.3788 2.3788 2.4972 2.4972 2.5384 2.5384 2.8234 2.8234 3.1618 3.1618 3.2015 3.2015 3.6293 3.6293 3.7863 3.7863 3.8916 3.8916 4.3052 4.3052 5.8810 5.8810 6.9069 6.9069 7.1138 7.1138 7.3369 7.3369 7.4927 7.4927 8.6284 8.6284 8.8183 8.8183 8.8487 8.8487 k = 0.3333 0.5774 0.2969 ( 11298 PWs) bands (ev): -56.8639 -56.8639 -56.8559 -56.8559 -31.1918 -31.1918 -31.1645 -31.1645 -23.5502 -23.5502 -23.5140 -23.5140 -23.4721 -23.4721 -23.3111 -23.3111 -7.6547 -7.6547 -7.3306 -7.3306 -7.2910 -7.2910 -7.1860 -7.1860 -7.1632 -7.1632 -7.1419 -7.1419 0.4212 0.4212 0.8191 0.8191 1.2618 1.2618 1.2625 1.2625 1.4276 1.4276 1.4760 1.4760 2.0421 2.0421 2.3520 2.3520 2.3862 2.3862 2.4821 2.4821 2.5635 2.5635 2.8364 2.8364 3.1895 3.1895 3.2124 3.2124 3.6243 3.6243 3.7844 3.7844 3.9162 3.9162 4.2880 4.2880 5.9698 5.9698 6.9132 6.9132 7.1186 7.1186 7.3020 7.3020 7.4696 7.4696 8.5218 8.5218 8.8184 8.8184 8.8390 8.8390 k = 0.3333 0.5774 0.3198 ( 11301 PWs) bands (ev): -56.8636 -56.8636 -56.8562 -56.8562 -31.1908 -31.1908 -31.1655 -31.1655 -23.5488 -23.5488 -23.5154 -23.5154 -23.4661 -23.4661 -23.3174 -23.3174 -7.6365 -7.6365 -7.3247 -7.3247 -7.2860 -7.2860 -7.1956 -7.1956 -7.1680 -7.1680 -7.1587 -7.1587 0.4359 0.4359 0.8220 0.8220 1.2451 1.2451 1.2602 1.2602 1.4091 1.4091 1.4526 1.4526 2.0701 2.0701 2.3454 2.3454 2.3918 2.3918 2.4681 2.4681 2.5833 2.5833 2.8580 2.8580 3.1710 3.1710 3.2664 3.2664 3.6154 3.6154 3.7897 3.7897 3.9361 3.9361 4.2697 4.2697 6.0610 6.0610 6.9198 6.9198 7.1236 7.1236 7.2677 7.2677 7.4466 7.4466 8.4047 8.4047 8.8216 8.8216 8.8355 8.8355 k = 0.3333 0.5774 0.3426 ( 11289 PWs) bands (ev): -56.8632 -56.8632 -56.8565 -56.8565 -31.1896 -31.1896 -31.1665 -31.1665 -23.5473 -23.5473 -23.5169 -23.5169 -23.4598 -23.4598 -23.3241 -23.3241 -7.6172 -7.6172 -7.3185 -7.3185 -7.2807 -7.2807 -7.2083 -7.2083 -7.1736 -7.1736 -7.1730 -7.1730 0.4525 0.4525 0.8208 0.8208 1.2308 1.2308 1.2589 1.2589 1.3919 1.3919 1.4288 1.4288 2.1011 2.1011 2.3386 2.3386 2.3979 2.3979 2.4547 2.4547 2.5953 2.5953 2.8876 2.8876 3.1475 3.1475 3.3228 3.3228 3.6031 3.6031 3.8009 3.8009 3.9507 3.9507 4.2503 4.2503 6.1543 6.1543 6.9268 6.9268 7.1289 7.1289 7.2344 7.2344 7.4241 7.4241 8.2812 8.2812 8.8283 8.8283 8.8371 8.8371 k = 0.3333 0.5774 0.3655 ( 11292 PWs) bands (ev): -56.8629 -56.8629 -56.8568 -56.8568 -31.1885 -31.1885 -31.1677 -31.1677 -23.5458 -23.5458 -23.5184 -23.5184 -23.4531 -23.4531 -23.3310 -23.3310 -7.5970 -7.5970 -7.3120 -7.3120 -7.2753 -7.2753 -7.2248 -7.2248 -7.1857 -7.1857 -7.1783 -7.1783 0.4709 0.4709 0.8154 0.8154 1.2200 1.2200 1.2580 1.2580 1.3757 1.3757 1.4049 1.4049 2.1347 2.1347 2.3323 2.3323 2.4051 2.4051 2.4416 2.4416 2.6003 2.6003 2.9209 2.9209 3.1224 3.1224 3.3807 3.3807 3.5878 3.5878 3.8166 3.8166 3.9595 3.9595 4.2297 4.2297 6.2497 6.2497 6.9342 6.9342 7.1344 7.1344 7.2026 7.2026 7.4023 7.4023 8.1544 8.1544 8.8385 8.8385 8.8436 8.8436 k = 0.3333 0.5774 0.3883 ( 11274 PWs) bands (ev): -56.8625 -56.8625 -56.8572 -56.8572 -31.1872 -31.1872 -31.1688 -31.1688 -23.5442 -23.5442 -23.5199 -23.5199 -23.4462 -23.4462 -23.3382 -23.3382 -7.5760 -7.5760 -7.3054 -7.3054 -7.2696 -7.2696 -7.2445 -7.2445 -7.1956 -7.1956 -7.1838 -7.1838 0.4909 0.4909 0.8060 0.8060 1.2125 1.2125 1.2576 1.2576 1.3607 1.3607 1.3813 1.3813 2.1703 2.1703 2.3275 2.3275 2.4136 2.4136 2.4285 2.4285 2.6008 2.6008 2.9484 2.9484 3.1034 3.1034 3.4393 3.4393 3.5694 3.5694 3.8358 3.8358 3.9622 3.9622 4.2078 4.2078 6.3470 6.3470 6.9421 6.9421 7.1398 7.1398 7.1725 7.1725 7.3815 7.3815 8.0265 8.0265 8.8526 8.8526 8.8549 8.8549 k = 0.3333 0.5774 0.4111 ( 11286 PWs) bands (ev): -56.8622 -56.8622 -56.8575 -56.8575 -31.1859 -31.1859 -31.1701 -31.1701 -23.5426 -23.5426 -23.5216 -23.5216 -23.4390 -23.4390 -23.3457 -23.3457 -7.5541 -7.5541 -7.2987 -7.2987 -7.2658 -7.2658 -7.2637 -7.2637 -7.2044 -7.2044 -7.1895 -7.1895 0.5124 0.5124 0.7928 0.7928 1.2085 1.2085 1.2581 1.2581 1.3466 1.3466 1.3582 1.3582 2.2070 2.2070 2.3243 2.3243 2.4155 2.4155 2.4225 2.4225 2.5999 2.5999 2.9541 2.9541 3.1053 3.1053 3.4979 3.4979 3.5480 3.5480 3.8578 3.8578 3.9587 3.9587 4.1847 4.1847 6.4462 6.4462 6.9505 6.9505 7.1444 7.1444 7.1451 7.1451 7.3621 7.3621 7.8994 7.8994 8.8706 8.8706 8.8708 8.8708 k = 0.3333 0.5774 0.4340 ( 11286 PWs) bands (ev): -56.8618 -56.8618 -56.8579 -56.8579 -31.1847 -31.1847 -31.1714 -31.1714 -23.5409 -23.5409 -23.5233 -23.5233 -23.4317 -23.4317 -23.3533 -23.3533 -7.5316 -7.5316 -7.2953 -7.2953 -7.2849 -7.2849 -7.2577 -7.2577 -7.2127 -7.2127 -7.1954 -7.1954 0.5353 0.5353 0.7762 0.7762 1.2077 1.2077 1.2594 1.2594 1.3335 1.3335 1.3359 1.3359 2.2438 2.2438 2.3232 2.3232 2.4026 2.4026 2.4303 2.4303 2.6008 2.6008 2.9321 2.9321 3.1330 3.1330 3.5234 3.5234 3.5557 3.5557 3.8821 3.8821 3.9488 3.9488 4.1602 4.1602 6.5469 6.5469 6.9596 6.9596 7.1184 7.1184 7.1496 7.1496 7.3443 7.3443 7.7747 7.7747 8.8915 8.8915 8.8926 8.8926 k = 0.3333 0.5774 0.4568 ( 11274 PWs) bands (ev): -56.8614 -56.8614 -56.8583 -56.8583 -31.1833 -31.1833 -31.1726 -31.1726 -23.5392 -23.5392 -23.5250 -23.5250 -23.4242 -23.4242 -23.3609 -23.3609 -7.5084 -7.5084 -7.3142 -7.3142 -7.2824 -7.2824 -7.2516 -7.2516 -7.2208 -7.2208 -7.2014 -7.2014 0.5593 0.5593 0.7568 0.7568 1.2099 1.2099 1.2618 1.2618 1.3148 1.3148 1.3213 1.3213 2.2796 2.2796 2.3240 2.3240 2.3901 2.3901 2.4347 2.4347 2.6072 2.6072 2.8950 2.8950 3.1739 3.1739 3.4956 3.4956 3.6119 3.6119 3.9081 3.9081 3.9326 3.9326 4.1344 4.1344 6.6489 6.6489 6.9694 6.9694 7.0946 7.0946 7.1522 7.1522 7.3286 7.3286 7.6543 7.6543 8.9167 8.9167 8.9188 8.9188 k = 0.3333 0.5774 0.4797 ( 11265 PWs) bands (ev): -56.8610 -56.8610 -56.8587 -56.8587 -31.1820 -31.1820 -31.1739 -31.1739 -23.5374 -23.5374 -23.5267 -23.5267 -23.4164 -23.4164 -23.3688 -23.3688 -7.4848 -7.4848 -7.3380 -7.3380 -7.2753 -7.2753 -7.2454 -7.2454 -7.2287 -7.2287 -7.2075 -7.2075 0.5841 0.5841 0.7351 0.7351 1.2150 1.2150 1.2652 1.2652 1.2950 1.2950 1.3101 1.3101 2.3131 2.3131 2.3269 2.3269 2.3779 2.3779 2.4336 2.4336 2.6220 2.6220 2.8516 2.8516 3.2191 3.2191 3.4644 3.4644 3.6660 3.6660 3.9102 3.9102 3.9355 3.9355 4.1075 4.1075 6.7516 6.7516 6.9802 6.9802 7.0729 7.0729 7.1503 7.1503 7.3159 7.3159 7.5412 7.5412 8.9466 8.9466 8.9493 8.9493 k = 0.3333 0.5774 0.5025 ( 11259 PWs) bands (ev): -56.8607 -56.8607 -56.8591 -56.8591 -31.1806 -31.1806 -31.1752 -31.1752 -23.5357 -23.5357 -23.5285 -23.5285 -23.4086 -23.4086 -23.3767 -23.3767 -7.4607 -7.4607 -7.3624 -7.3624 -7.2678 -7.2678 -7.2391 -7.2391 -7.2366 -7.2366 -7.2138 -7.2138 0.6096 0.6096 0.7116 0.7116 1.2228 1.2228 1.2698 1.2698 1.2767 1.2767 1.2998 1.2998 2.3317 2.3317 2.3437 2.3437 2.3664 2.3664 2.4259 2.4259 2.6462 2.6462 2.8061 2.8061 3.2649 3.2649 3.4300 3.4300 3.7173 3.7173 3.8818 3.8818 3.9639 3.9639 4.0796 4.0796 6.8536 6.8536 6.9920 6.9920 7.0532 7.0532 7.1379 7.1379 7.3078 7.3078 7.4414 7.4414 8.9811 8.9811 8.9840 8.9840 k = 0.3333 0.5774 0.5253 ( 11253 PWs) bands (ev): -56.8603 -56.8603 -56.8595 -56.8595 -31.1793 -31.1793 -31.1766 -31.1766 -23.5339 -23.5339 -23.5303 -23.5303 -23.4007 -23.4007 -23.3847 -23.3847 -7.4363 -7.4363 -7.3870 -7.3870 -7.2601 -7.2601 -7.2445 -7.2445 -7.2327 -7.2327 -7.2201 -7.2201 0.6355 0.6355 0.6869 0.6869 1.2331 1.2331 1.2602 1.2602 1.2756 1.2756 1.2907 1.2907 2.3383 2.3383 2.3559 2.3559 2.3706 2.3706 2.4123 2.4123 2.6787 2.6787 2.7608 2.7608 3.3096 3.3096 3.3926 3.3926 3.7651 3.7651 3.8479 3.8479 3.9928 3.9928 4.0510 4.0510 6.9518 6.9518 7.0050 7.0050 7.0355 7.0355 7.1038 7.1038 7.3081 7.3081 7.3660 7.3660 9.0200 9.0200 9.0230 9.0230 k = 0.3333 0.5774 0.5482 ( 11268 PWs) bands (ev): -56.8599 -56.8599 -56.8599 -56.8599 -31.1779 -31.1779 -31.1779 -31.1779 -23.5321 -23.5321 -23.5321 -23.5321 -23.3927 -23.3927 -23.3927 -23.3927 -7.4117 -7.4117 -7.4117 -7.4117 -7.2523 -7.2523 -7.2523 -7.2523 -7.2264 -7.2264 -7.2264 -7.2264 0.6614 0.6614 0.6614 0.6614 1.2456 1.2456 1.2456 1.2456 1.2826 1.2826 1.2826 1.2826 2.3464 2.3464 2.3464 2.3464 2.3936 2.3936 2.3936 2.3936 2.7176 2.7176 2.7176 2.7176 3.3523 3.3523 3.3523 3.3523 3.8088 3.8088 3.8088 3.8088 4.0220 4.0220 4.0220 4.0220 7.0194 7.0194 7.0194 7.0194 7.0394 7.0394 7.0394 7.0394 7.3236 7.3236 7.3236 7.3236 9.0634 9.0634 9.0634 9.0634 Writing output data file HfI3.save init_run : 0.35s CPU 0.48s WALL ( 1 calls) electrons : 486.41s CPU 489.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 486.40s CPU 489.83s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.10s WALL ( 221 calls) cegterg : 450.92s CPU 453.78s WALL ( 253 calls) Called by sum_band: Called by *egterg: h_psi : 260.14s CPU 262.86s WALL ( 4497 calls) s_psi : 16.14s CPU 16.19s WALL ( 4497 calls) g_psi : 0.32s CPU 0.31s WALL ( 4023 calls) cdiaghg : 163.48s CPU 163.76s WALL ( 4244 calls) cegterg:over : 18.66s CPU 18.90s WALL ( 4023 calls) cegterg:upda : 11.08s CPU 11.07s WALL ( 4023 calls) cegterg:last : 6.51s CPU 6.51s WALL ( 695 calls) cdiaghg:chol : 6.02s CPU 5.91s WALL ( 4244 calls) cdiaghg:inve : 4.92s CPU 4.75s WALL ( 4244 calls) cdiaghg:para : 13.16s CPU 13.30s WALL ( 8488 calls) Called by h_psi: h_psi:vloc : 234.06s CPU 236.50s WALL ( 4497 calls) h_psi:vnl : 25.79s CPU 26.04s WALL ( 4497 calls) add_vuspsi : 13.25s CPU 13.40s WALL ( 4497 calls) General routines calbec : 12.54s CPU 12.63s WALL ( 4497 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 229.04s CPU 231.59s WALL ( 773984 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.26s WALL ( 442 calls) Parallel routines fft_scatter : 174.04s CPU 175.34s WALL ( 774007 calls) PWSCF : 9m13.66s CPU 9m30.95s WALL This run was terminated on: 23:28: 9 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=