Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:10: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li3As.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 54 15 3448 3448 503 Max 55 55 16 3459 3459 508 Sum 1945 1945 547 124247 124247 18153 bravais-lattice index = 14 lattice parameter (alat) = 8.2902 a.u. unit-cell volume = 878.4427 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.290228 celldm(2)= 1.000000 celldm(3)= 1.780260 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.780260 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.561716 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Li 3.00 6.94100 Li( 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 ) ( -0.8901299 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8901299 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8901299 ) 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 ) ( -0.8901299 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8901299 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8901299 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8901299 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8901299 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8901299 ) 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 ) ( 0.8901299 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8901299 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8901299 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033333 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033333 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033333 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033333 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033333 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033333 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033333 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033333 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033333 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033333 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033333 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033333 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033333 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033333 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033333 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033333 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033333 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033333 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033333 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033333 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033333 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033333 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033333 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033333 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033333 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033333 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033333 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033333 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033333 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033333 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033333 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033333 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033333 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033333 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033333 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033333 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033333 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033333 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033333 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033333 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033333 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033333 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033333 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033333 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033333 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033333 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033333 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033333 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033333 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033333 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033333 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033333 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033333 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033333 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033333 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033333 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033333 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033333 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033333 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033333 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033333 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033333 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033333 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033333 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033333 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033333 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033333 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033333 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033333 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033333 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033333 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033333 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.0133742), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.0267484), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.0401226), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.0534967), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.0668709), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.0802451), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.0936193), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.1069935), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.1203677), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.1337418), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.1471160), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.1604902), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.1738644), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.1872386), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.2006128), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.2139870), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.2273611), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.2407353), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.2541095), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.2674837), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.2808579), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.2808579), wk = 0.0033333 k( 141) = ( 0.0119048 0.0068732 0.2808579), wk = 0.0033333 k( 142) = ( 0.0238095 0.0137464 0.2808579), wk = 0.0033333 k( 143) = ( 0.0357143 0.0206197 0.2808579), wk = 0.0033333 k( 144) = ( 0.0476191 0.0274929 0.2808579), wk = 0.0033333 k( 145) = ( 0.0595238 0.0343661 0.2808579), wk = 0.0033333 k( 146) = ( 0.0714286 0.0412393 0.2808579), wk = 0.0033333 k( 147) = ( 0.0833333 0.0481125 0.2808579), wk = 0.0033333 k( 148) = ( 0.0952381 0.0549857 0.2808579), wk = 0.0033333 k( 149) = ( 0.1071429 0.0618590 0.2808579), wk = 0.0033333 k( 150) = ( 0.1190476 0.0687322 0.2808579), wk = 0.0033333 k( 151) = ( 0.1309524 0.0756054 0.2808579), wk = 0.0033333 k( 152) = ( 0.1428571 0.0824786 0.2808579), wk = 0.0033333 k( 153) = ( 0.1547619 0.0893518 0.2808579), wk = 0.0033333 k( 154) = ( 0.1666667 0.0962250 0.2808579), wk = 0.0033333 k( 155) = ( 0.1785714 0.1030983 0.2808579), wk = 0.0033333 k( 156) = ( 0.1904762 0.1099715 0.2808579), wk = 0.0033333 k( 157) = ( 0.2023810 0.1168447 0.2808579), wk = 0.0033333 k( 158) = ( 0.2142857 0.1237179 0.2808579), wk = 0.0033333 k( 159) = ( 0.2261905 0.1305911 0.2808579), wk = 0.0033333 k( 160) = ( 0.2380952 0.1374644 0.2808579), wk = 0.0033333 k( 161) = ( 0.2500000 0.1443376 0.2808579), wk = 0.0033333 k( 162) = ( 0.2619048 0.1512108 0.2808579), wk = 0.0033333 k( 163) = ( 0.2738095 0.1580840 0.2808579), wk = 0.0033333 k( 164) = ( 0.2857143 0.1649572 0.2808579), wk = 0.0033333 k( 165) = ( 0.2976190 0.1718304 0.2808579), wk = 0.0033333 k( 166) = ( 0.3095238 0.1787037 0.2808579), wk = 0.0033333 k( 167) = ( 0.3214286 0.1855769 0.2808579), wk = 0.0033333 k( 168) = ( 0.3333333 0.1924501 0.2808579), wk = 0.0033333 k( 169) = ( 0.3452381 0.1993233 0.2808579), wk = 0.0033333 k( 170) = ( 0.3571429 0.2061965 0.2808579), wk = 0.0033333 k( 171) = ( 0.3690476 0.2130697 0.2808579), wk = 0.0033333 k( 172) = ( 0.3809524 0.2199430 0.2808579), wk = 0.0033333 k( 173) = ( 0.3928571 0.2268162 0.2808579), wk = 0.0033333 k( 174) = ( 0.4047619 0.2336894 0.2808579), wk = 0.0033333 k( 175) = ( 0.4166667 0.2405626 0.2808579), wk = 0.0033333 k( 176) = ( 0.4285714 0.2474358 0.2808579), wk = 0.0033333 k( 177) = ( 0.4404762 0.2543090 0.2808579), wk = 0.0033333 k( 178) = ( 0.4523810 0.2611823 0.2808579), wk = 0.0033333 k( 179) = ( 0.4642857 0.2680555 0.2808579), wk = 0.0033333 k( 180) = ( 0.4761905 0.2749287 0.2808579), wk = 0.0033333 k( 181) = ( 0.4880952 0.2818019 0.2808579), wk = 0.0033333 k( 182) = ( 0.5000000 0.2886751 0.2808579), wk = 0.0033333 k( 183) = ( 0.5000000 0.2886751 0.2808579), wk = 0.0033333 k( 184) = ( 0.4930556 0.3007033 0.2808579), wk = 0.0033333 k( 185) = ( 0.4861111 0.3127314 0.2808579), wk = 0.0033333 k( 186) = ( 0.4791667 0.3247595 0.2808579), wk = 0.0033333 k( 187) = ( 0.4722222 0.3367877 0.2808579), wk = 0.0033333 k( 188) = ( 0.4652778 0.3488158 0.2808579), wk = 0.0033333 k( 189) = ( 0.4583333 0.3608439 0.2808579), wk = 0.0033333 k( 190) = ( 0.4513889 0.3728720 0.2808579), wk = 0.0033333 k( 191) = ( 0.4444444 0.3849002 0.2808579), wk = 0.0033333 k( 192) = ( 0.4375000 0.3969283 0.2808579), wk = 0.0033333 k( 193) = ( 0.4305556 0.4089564 0.2808579), wk = 0.0033333 k( 194) = ( 0.4236111 0.4209846 0.2808579), wk = 0.0033333 k( 195) = ( 0.4166667 0.4330127 0.2808579), wk = 0.0033333 k( 196) = ( 0.4097222 0.4450408 0.2808579), wk = 0.0033333 k( 197) = ( 0.4027778 0.4570690 0.2808579), wk = 0.0033333 k( 198) = ( 0.3958333 0.4690971 0.2808579), wk = 0.0033333 k( 199) = ( 0.3888889 0.4811252 0.2808579), wk = 0.0033333 k( 200) = ( 0.3819444 0.4931534 0.2808579), wk = 0.0033333 k( 201) = ( 0.3750000 0.5051815 0.2808579), wk = 0.0033333 k( 202) = ( 0.3680556 0.5172096 0.2808579), wk = 0.0033333 k( 203) = ( 0.3611111 0.5292377 0.2808579), wk = 0.0033333 k( 204) = ( 0.3541667 0.5412659 0.2808579), wk = 0.0033333 k( 205) = ( 0.3472222 0.5532940 0.2808579), wk = 0.0033333 k( 206) = ( 0.3402778 0.5653221 0.2808579), wk = 0.0033333 k( 207) = ( 0.3333333 0.5773503 0.2808579), wk = 0.0033333 k( 208) = ( 0.3333333 0.5773503 0.2808579), wk = 0.0033333 k( 209) = ( 0.3263889 0.5653221 0.2808579), wk = 0.0033333 k( 210) = ( 0.3194444 0.5532940 0.2808579), wk = 0.0033333 k( 211) = ( 0.3125000 0.5412659 0.2808579), wk = 0.0033333 k( 212) = ( 0.3055556 0.5292378 0.2808579), wk = 0.0033333 k( 213) = ( 0.2986111 0.5172096 0.2808579), wk = 0.0033333 k( 214) = ( 0.2916667 0.5051815 0.2808579), wk = 0.0033333 k( 215) = ( 0.2847222 0.4931534 0.2808579), wk = 0.0033333 k( 216) = ( 0.2777778 0.4811252 0.2808579), wk = 0.0033333 k( 217) = ( 0.2708333 0.4690971 0.2808579), wk = 0.0033333 k( 218) = ( 0.2638889 0.4570690 0.2808579), wk = 0.0033333 k( 219) = ( 0.2569444 0.4450408 0.2808579), wk = 0.0033333 k( 220) = ( 0.2500000 0.4330127 0.2808579), wk = 0.0033333 k( 221) = ( 0.2430556 0.4209846 0.2808579), wk = 0.0033333 k( 222) = ( 0.2361111 0.4089564 0.2808579), wk = 0.0033333 k( 223) = ( 0.2291667 0.3969283 0.2808579), wk = 0.0033333 k( 224) = ( 0.2222222 0.3849002 0.2808579), wk = 0.0033333 k( 225) = ( 0.2152778 0.3728721 0.2808579), wk = 0.0033333 k( 226) = ( 0.2083333 0.3608439 0.2808579), wk = 0.0033333 k( 227) = ( 0.2013889 0.3488158 0.2808579), wk = 0.0033333 k( 228) = ( 0.1944444 0.3367876 0.2808579), wk = 0.0033333 k( 229) = ( 0.1875000 0.3247595 0.2808579), wk = 0.0033333 k( 230) = ( 0.1805556 0.3127314 0.2808579), wk = 0.0033333 k( 231) = ( 0.1736111 0.3007033 0.2808579), wk = 0.0033333 k( 232) = ( 0.1666667 0.2886751 0.2808579), wk = 0.0033333 k( 233) = ( 0.1597222 0.2766470 0.2808579), wk = 0.0033333 k( 234) = ( 0.1527778 0.2646189 0.2808579), wk = 0.0033333 k( 235) = ( 0.1458333 0.2525907 0.2808579), wk = 0.0033333 k( 236) = ( 0.1388889 0.2405626 0.2808579), wk = 0.0033333 k( 237) = ( 0.1319444 0.2285345 0.2808579), wk = 0.0033333 k( 238) = ( 0.1250000 0.2165064 0.2808579), wk = 0.0033333 k( 239) = ( 0.1180556 0.2044782 0.2808579), wk = 0.0033333 k( 240) = ( 0.1111111 0.1924501 0.2808579), wk = 0.0033333 k( 241) = ( 0.1041667 0.1804220 0.2808579), wk = 0.0033333 k( 242) = ( 0.0972222 0.1683938 0.2808579), wk = 0.0033333 k( 243) = ( 0.0902778 0.1563657 0.2808579), wk = 0.0033333 k( 244) = ( 0.0833333 0.1443376 0.2808579), wk = 0.0033333 k( 245) = ( 0.0763889 0.1323094 0.2808579), wk = 0.0033333 k( 246) = ( 0.0694444 0.1202813 0.2808579), wk = 0.0033333 k( 247) = ( 0.0625000 0.1082532 0.2808579), wk = 0.0033333 k( 248) = ( 0.0555556 0.0962251 0.2808579), wk = 0.0033333 k( 249) = ( 0.0486111 0.0841969 0.2808579), wk = 0.0033333 k( 250) = ( 0.0416667 0.0721688 0.2808579), wk = 0.0033333 k( 251) = ( 0.0347222 0.0601406 0.2808579), wk = 0.0033333 k( 252) = ( 0.0277778 0.0481125 0.2808579), wk = 0.0033333 k( 253) = ( 0.0208333 0.0360844 0.2808579), wk = 0.0033333 k( 254) = ( 0.0138889 0.0240563 0.2808579), wk = 0.0033333 k( 255) = ( 0.0069444 0.0120281 0.2808579), wk = 0.0033333 k( 256) = ( 0.0000000 0.0000000 0.2808579), wk = 0.0033333 k( 257) = ( 0.5000000 0.2886751 0.2808579), wk = 0.0033333 k( 258) = ( 0.5000000 0.2886751 0.2674837), wk = 0.0033333 k( 259) = ( 0.5000000 0.2886751 0.2541095), wk = 0.0033333 k( 260) = ( 0.5000000 0.2886751 0.2407353), wk = 0.0033333 k( 261) = ( 0.5000000 0.2886751 0.2273611), wk = 0.0033333 k( 262) = ( 0.5000000 0.2886751 0.2139870), wk = 0.0033333 k( 263) = ( 0.5000000 0.2886751 0.2006128), wk = 0.0033333 k( 264) = ( 0.5000000 0.2886751 0.1872386), wk = 0.0033333 k( 265) = ( 0.5000000 0.2886751 0.1738644), wk = 0.0033333 k( 266) = ( 0.5000000 0.2886751 0.1604902), wk = 0.0033333 k( 267) = ( 0.5000000 0.2886751 0.1471160), wk = 0.0033333 k( 268) = ( 0.5000000 0.2886751 0.1337418), wk = 0.0033333 k( 269) = ( 0.5000000 0.2886751 0.1203677), wk = 0.0033333 k( 270) = ( 0.5000000 0.2886751 0.1069935), wk = 0.0033333 k( 271) = ( 0.5000000 0.2886751 0.0936193), wk = 0.0033333 k( 272) = ( 0.5000000 0.2886751 0.0802451), wk = 0.0033333 k( 273) = ( 0.5000000 0.2886751 0.0668709), wk = 0.0033333 k( 274) = ( 0.5000000 0.2886751 0.0534967), wk = 0.0033333 k( 275) = ( 0.5000000 0.2886751 0.0401226), wk = 0.0033333 k( 276) = ( 0.5000000 0.2886751 0.0267484), wk = 0.0033333 k( 277) = ( 0.5000000 0.2886751 0.0133742), wk = 0.0033333 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 280) = ( 0.3333333 0.5773503 0.0133742), wk = 0.0033333 k( 281) = ( 0.3333333 0.5773503 0.0267484), wk = 0.0033333 k( 282) = ( 0.3333333 0.5773503 0.0401226), wk = 0.0033333 k( 283) = ( 0.3333333 0.5773503 0.0534967), wk = 0.0033333 k( 284) = ( 0.3333333 0.5773503 0.0668709), wk = 0.0033333 k( 285) = ( 0.3333333 0.5773503 0.0802451), wk = 0.0033333 k( 286) = ( 0.3333333 0.5773503 0.0936193), wk = 0.0033333 k( 287) = ( 0.3333333 0.5773503 0.1069935), wk = 0.0033333 k( 288) = ( 0.3333333 0.5773503 0.1203677), wk = 0.0033333 k( 289) = ( 0.3333333 0.5773503 0.1337418), wk = 0.0033333 k( 290) = ( 0.3333333 0.5773503 0.1471160), wk = 0.0033333 k( 291) = ( 0.3333333 0.5773503 0.1604902), wk = 0.0033333 k( 292) = ( 0.3333333 0.5773503 0.1738644), wk = 0.0033333 k( 293) = ( 0.3333333 0.5773503 0.1872386), wk = 0.0033333 k( 294) = ( 0.3333333 0.5773503 0.2006128), wk = 0.0033333 k( 295) = ( 0.3333333 0.5773503 0.2139870), wk = 0.0033333 k( 296) = ( 0.3333333 0.5773503 0.2273611), wk = 0.0033333 k( 297) = ( 0.3333333 0.5773503 0.2407353), wk = 0.0033333 k( 298) = ( 0.3333333 0.5773503 0.2541095), wk = 0.0033333 k( 299) = ( 0.3333333 0.5773503 0.2674837), wk = 0.0033333 k( 300) = ( 0.3333333 0.5773503 0.2808579), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033333 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033333 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0033333 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0033333 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033333 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0033333 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0033333 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033333 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0033333 k( 14) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0033333 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033333 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033333 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033333 k( 26) = ( 0.2976190 0.0000000 -0.0000000), wk = 0.0033333 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0033333 k( 28) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0033333 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0033333 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0033333 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0033333 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0033333 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0033333 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033333 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0033333 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033333 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033333 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033333 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033333 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033333 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033333 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033333 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033333 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033333 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033333 k( 57) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033333 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033333 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033333 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033333 k( 62) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0033333 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033333 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033333 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0033333 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033333 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033333 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033333 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033333 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033333 k( 77) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033333 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033333 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033333 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0033333 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033333 k( 82) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0033333 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033333 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033333 k( 85) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033333 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033333 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033333 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033333 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033333 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033333 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033333 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033333 k( 93) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033333 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033333 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033333 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033333 k( 97) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0033333 k( 98) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033333 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033333 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0033333 k( 101) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033333 k( 102) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033333 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033333 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033333 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033333 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033333 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033333 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033333 k( 109) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033333 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033333 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033333 k( 113) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033333 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033333 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 141) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033333 k( 142) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033333 k( 143) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033333 k( 144) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033333 k( 145) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033333 k( 146) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033333 k( 147) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033333 k( 148) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033333 k( 149) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033333 k( 150) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033333 k( 151) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0033333 k( 152) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033333 k( 153) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033333 k( 154) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033333 k( 155) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033333 k( 156) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033333 k( 157) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033333 k( 158) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033333 k( 159) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033333 k( 160) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033333 k( 161) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033333 k( 162) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0033333 k( 163) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033333 k( 164) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033333 k( 165) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033333 k( 166) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033333 k( 167) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033333 k( 168) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033333 k( 169) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033333 k( 170) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033333 k( 171) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033333 k( 172) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033333 k( 173) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033333 k( 174) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033333 k( 175) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033333 k( 176) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033333 k( 177) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033333 k( 178) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033333 k( 179) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033333 k( 180) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033333 k( 181) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033333 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 184) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033333 k( 185) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033333 k( 186) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033333 k( 187) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033333 k( 188) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033333 k( 189) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033333 k( 190) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033333 k( 191) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033333 k( 192) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033333 k( 193) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033333 k( 194) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033333 k( 195) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033333 k( 196) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033333 k( 197) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033333 k( 198) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033333 k( 199) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033333 k( 200) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033333 k( 201) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033333 k( 202) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033333 k( 203) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033333 k( 204) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033333 k( 205) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033333 k( 206) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033333 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 209) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033333 k( 210) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033333 k( 211) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033333 k( 212) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033333 k( 213) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033333 k( 214) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033333 k( 215) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033333 k( 216) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033333 k( 217) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033333 k( 218) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033333 k( 219) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033333 k( 220) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033333 k( 221) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033333 k( 222) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033333 k( 223) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033333 k( 224) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033333 k( 225) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033333 k( 226) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033333 k( 227) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033333 k( 228) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033333 k( 229) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033333 k( 230) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033333 k( 231) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033333 k( 232) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033333 k( 233) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033333 k( 234) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033333 k( 235) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033333 k( 236) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033333 k( 237) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033333 k( 238) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033333 k( 239) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033333 k( 240) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033333 k( 241) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033333 k( 242) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033333 k( 243) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033333 k( 244) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033333 k( 245) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033333 k( 246) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033333 k( 247) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033333 k( 248) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033333 k( 249) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033333 k( 250) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033333 k( 251) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033333 k( 252) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033333 k( 253) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033333 k( 254) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033333 k( 255) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033333 k( 256) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 258) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0033333 k( 259) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0033333 k( 260) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0033333 k( 261) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0033333 k( 262) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0033333 k( 263) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0033333 k( 264) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033333 k( 265) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0033333 k( 266) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0033333 k( 267) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0033333 k( 268) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0033333 k( 269) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0033333 k( 270) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0033333 k( 271) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033333 k( 272) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0033333 k( 273) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0033333 k( 274) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0033333 k( 275) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0033333 k( 276) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0033333 k( 277) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0033333 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033333 k( 280) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0033333 k( 281) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0033333 k( 282) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0033333 k( 283) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0033333 k( 284) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0033333 k( 285) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0033333 k( 286) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033333 k( 287) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0033333 k( 288) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0033333 k( 289) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0033333 k( 290) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0033333 k( 291) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0033333 k( 292) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0033333 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033333 k( 294) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0033333 k( 295) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0033333 k( 296) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0033333 k( 297) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0033333 k( 298) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0033333 k( 299) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0033333 k( 300) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 Dense grid: 124247 G-vectors FFT dimensions: ( 54, 54, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 876, 36) NL pseudopotentials 0.75 Mb ( 438, 112) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3452) G-vector shells 0.01 Mb ( 1681) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.92 Mb ( 876, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.12 Mb ( 112, 2, 36) The potential is recalculated from file : ./Li3As.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 9.1 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.7 secs Computing kpt #: 17 total cpu time spent up to now is 13.3 secs Computing kpt #: 18 total cpu time spent up to now is 13.9 secs Computing kpt #: 19 total cpu time spent up to now is 14.5 secs Computing kpt #: 20 total cpu time spent up to now is 15.1 secs Computing kpt #: 21 total cpu time spent up to now is 15.6 secs Computing kpt #: 22 total cpu time spent up to now is 16.2 secs Computing kpt #: 23 total cpu time spent up to now is 16.8 secs Computing kpt #: 24 total cpu time spent up to now is 17.3 secs Computing kpt #: 25 total cpu time spent up to now is 17.9 secs Computing kpt #: 26 total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.6 secs Computing kpt #: 29 total cpu time spent up to now is 20.1 secs Computing kpt #: 30 total cpu time spent up to now is 20.7 secs Computing kpt #: 31 total cpu time spent up to now is 21.4 secs Computing kpt #: 32 total cpu time spent up to now is 22.1 secs Computing kpt #: 33 total cpu time spent up to now is 22.7 secs Computing kpt #: 34 total cpu time spent up to now is 23.3 secs Computing kpt #: 35 total cpu time spent up to now is 23.9 secs Computing kpt #: 36 total cpu time spent up to now is 24.5 secs Computing kpt #: 37 total cpu time spent up to now is 25.1 secs Computing kpt #: 38 total cpu time spent up to now is 25.7 secs Computing kpt #: 39 total cpu time spent up to now is 26.3 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 29.9 secs Computing kpt #: 46 total cpu time spent up to now is 30.4 secs Computing kpt #: 47 total cpu time spent up to now is 31.0 secs Computing kpt #: 48 total cpu time spent up to now is 31.6 secs Computing kpt #: 49 total cpu time spent up to now is 32.2 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.5 secs Computing kpt #: 52 total cpu time spent up to now is 34.2 secs Computing kpt #: 53 total cpu time spent up to now is 34.9 secs Computing kpt #: 54 total cpu time spent up to now is 35.6 secs Computing kpt #: 55 total cpu time spent up to now is 36.2 secs Computing kpt #: 56 total cpu time spent up to now is 36.9 secs Computing kpt #: 57 total cpu time spent up to now is 37.7 secs Computing kpt #: 58 total cpu time spent up to now is 38.4 secs Computing kpt #: 59 total cpu time spent up to now is 39.2 secs Computing kpt #: 60 total cpu time spent up to now is 39.9 secs Computing kpt #: 61 total cpu time spent up to now is 40.7 secs Computing kpt #: 62 total cpu time spent up to now is 41.5 secs Computing kpt #: 63 total cpu time spent up to now is 42.4 secs Computing kpt #: 64 total cpu time spent up to now is 43.2 secs Computing kpt #: 65 total cpu time spent up to now is 44.0 secs Computing kpt #: 66 total cpu time spent up to now is 44.8 secs Computing kpt #: 67 total cpu time spent up to now is 45.4 secs Computing kpt #: 68 total cpu time spent up to now is 46.0 secs Computing kpt #: 69 total cpu time spent up to now is 46.6 secs Computing kpt #: 70 total cpu time spent up to now is 47.3 secs Computing kpt #: 71 total cpu time spent up to now is 48.0 secs Computing kpt #: 72 total cpu time spent up to now is 48.8 secs Computing kpt #: 73 total cpu time spent up to now is 49.6 secs Computing kpt #: 74 total cpu time spent up to now is 50.4 secs Computing kpt #: 75 total cpu time spent up to now is 51.2 secs Computing kpt #: 76 total cpu time spent up to now is 52.0 secs Computing kpt #: 77 total cpu time spent up to now is 52.8 secs Computing kpt #: 78 total cpu time spent up to now is 53.5 secs Computing kpt #: 79 total cpu time spent up to now is 54.3 secs Computing kpt #: 80 total cpu time spent up to now is 55.0 secs Computing kpt #: 81 total cpu time spent up to now is 55.8 secs Computing kpt #: 82 total cpu time spent up to now is 56.5 secs Computing kpt #: 83 total cpu time spent up to now is 57.3 secs Computing kpt #: 84 total cpu time spent up to now is 58.0 secs Computing kpt #: 85 total cpu time spent up to now is 58.8 secs Computing kpt #: 86 total cpu time spent up to now is 59.5 secs Computing kpt #: 87 total cpu time spent up to now is 60.3 secs Computing kpt #: 88 total cpu time spent up to now is 60.9 secs Computing kpt #: 89 total cpu time spent up to now is 61.6 secs Computing kpt #: 90 total cpu time spent up to now is 62.2 secs Computing kpt #: 91 total cpu time spent up to now is 62.9 secs Computing kpt #: 92 total cpu time spent up to now is 63.5 secs Computing kpt #: 93 total cpu time spent up to now is 64.2 secs Computing kpt #: 94 total cpu time spent up to now is 64.8 secs Computing kpt #: 95 total cpu time spent up to now is 65.4 secs Computing kpt #: 96 total cpu time spent up to now is 66.0 secs Computing kpt #: 97 total cpu time spent up to now is 66.7 secs Computing kpt #: 98 total cpu time spent up to now is 67.3 secs Computing kpt #: 99 total cpu time spent up to now is 67.9 secs Computing kpt #: 100 total cpu time spent up to now is 68.5 secs Computing kpt #: 101 total cpu time spent up to now is 69.1 secs Computing kpt #: 102 total cpu time spent up to now is 69.8 secs Computing kpt #: 103 total cpu time spent up to now is 70.4 secs Computing kpt #: 104 total cpu time spent up to now is 71.1 secs Computing kpt #: 105 total cpu time spent up to now is 71.8 secs Computing kpt #: 106 total cpu time spent up to now is 72.6 secs Computing kpt #: 107 total cpu time spent up to now is 73.2 secs Computing kpt #: 108 total cpu time spent up to now is 73.9 secs Computing kpt #: 109 total cpu time spent up to now is 74.5 secs Computing kpt #: 110 total cpu time spent up to now is 75.2 secs Computing kpt #: 111 total cpu time spent up to now is 76.0 secs Computing kpt #: 112 total cpu time spent up to now is 76.6 secs Computing kpt #: 113 total cpu time spent up to now is 77.3 secs Computing kpt #: 114 total cpu time spent up to now is 78.1 secs Computing kpt #: 115 total cpu time spent up to now is 78.8 secs Computing kpt #: 116 total cpu time spent up to now is 79.6 secs Computing kpt #: 117 total cpu time spent up to now is 80.5 secs Computing kpt #: 118 total cpu time spent up to now is 81.3 secs Computing kpt #: 119 total cpu time spent up to now is 82.3 secs Computing kpt #: 120 total cpu time spent up to now is 83.2 secs Computing kpt #: 121 total cpu time spent up to now is 84.0 secs Computing kpt #: 122 total cpu time spent up to now is 84.8 secs Computing kpt #: 123 total cpu time spent up to now is 85.6 secs Computing kpt #: 124 total cpu time spent up to now is 86.3 secs Computing kpt #: 125 total cpu time spent up to now is 87.1 secs Computing kpt #: 126 total cpu time spent up to now is 87.8 secs Computing kpt #: 127 total cpu time spent up to now is 88.6 secs Computing kpt #: 128 total cpu time spent up to now is 89.3 secs Computing kpt #: 129 total cpu time spent up to now is 90.1 secs Computing kpt #: 130 total cpu time spent up to now is 90.8 secs Computing kpt #: 131 total cpu time spent up to now is 91.6 secs Computing kpt #: 132 total cpu time spent up to now is 92.3 secs Computing kpt #: 133 total cpu time spent up to now is 93.1 secs Computing kpt #: 134 total cpu time spent up to now is 93.8 secs Computing kpt #: 135 total cpu time spent up to now is 94.6 secs Computing kpt #: 136 total cpu time spent up to now is 95.3 secs Computing kpt #: 137 total cpu time spent up to now is 96.1 secs Computing kpt #: 138 total cpu time spent up to now is 96.8 secs Computing kpt #: 139 total cpu time spent up to now is 97.6 secs Computing kpt #: 140 total cpu time spent up to now is 98.3 secs Computing kpt #: 141 total cpu time spent up to now is 99.1 secs Computing kpt #: 142 total cpu time spent up to now is 99.7 secs Computing kpt #: 143 total cpu time spent up to now is 100.4 secs Computing kpt #: 144 total cpu time spent up to now is 101.1 secs Computing kpt #: 145 total cpu time spent up to now is 101.8 secs Computing kpt #: 146 total cpu time spent up to now is 102.4 secs Computing kpt #: 147 total cpu time spent up to now is 103.0 secs Computing kpt #: 148 total cpu time spent up to now is 103.6 secs Computing kpt #: 149 total cpu time spent up to now is 107.2 secs Computing kpt #: 150 total cpu time spent up to now is 107.8 secs Computing kpt #: 151 total cpu time spent up to now is 108.4 secs Computing kpt #: 152 total cpu time spent up to now is 109.0 secs Computing kpt #: 153 total cpu time spent up to now is 109.6 secs Computing kpt #: 154 total cpu time spent up to now is 110.3 secs Computing kpt #: 155 total cpu time spent up to now is 110.8 secs Computing kpt #: 156 total cpu time spent up to now is 111.4 secs Computing kpt #: 157 total cpu time spent up to now is 112.0 secs Computing kpt #: 158 total cpu time spent up to now is 112.6 secs Computing kpt #: 159 total cpu time spent up to now is 113.2 secs Computing kpt #: 160 total cpu time spent up to now is 113.8 secs Computing kpt #: 161 total cpu time spent up to now is 114.4 secs Computing kpt #: 162 total cpu time spent up to now is 114.9 secs Computing kpt #: 163 total cpu time spent up to now is 115.5 secs Computing kpt #: 164 total cpu time spent up to now is 116.1 secs Computing kpt #: 165 total cpu time spent up to now is 116.6 secs Computing kpt #: 166 total cpu time spent up to now is 117.2 secs Computing kpt #: 167 total cpu time spent up to now is 117.8 secs Computing kpt #: 168 total cpu time spent up to now is 118.3 secs Computing kpt #: 169 total cpu time spent up to now is 118.9 secs Computing kpt #: 170 total cpu time spent up to now is 119.4 secs Computing kpt #: 171 total cpu time spent up to now is 120.0 secs Computing kpt #: 172 total cpu time spent up to now is 120.6 secs Computing kpt #: 173 total cpu time spent up to now is 121.1 secs Computing kpt #: 174 total cpu time spent up to now is 121.7 secs Computing kpt #: 175 total cpu time spent up to now is 122.2 secs Computing kpt #: 176 total cpu time spent up to now is 122.8 secs Computing kpt #: 177 total cpu time spent up to now is 123.4 secs Computing kpt #: 178 total cpu time spent up to now is 123.9 secs Computing kpt #: 179 total cpu time spent up to now is 124.5 secs Computing kpt #: 180 total cpu time spent up to now is 125.0 secs Computing kpt #: 181 total cpu time spent up to now is 125.6 secs Computing kpt #: 182 total cpu time spent up to now is 126.1 secs Computing kpt #: 183 total cpu time spent up to now is 126.6 secs Computing kpt #: 184 total cpu time spent up to now is 127.2 secs Computing kpt #: 185 total cpu time spent up to now is 127.8 secs Computing kpt #: 186 total cpu time spent up to now is 128.3 secs Computing kpt #: 187 total cpu time spent up to now is 128.9 secs Computing kpt #: 188 total cpu time spent up to now is 129.5 secs Computing kpt #: 189 total cpu time spent up to now is 130.1 secs Computing kpt #: 190 total cpu time spent up to now is 130.6 secs Computing kpt #: 191 total cpu time spent up to now is 131.3 secs Computing kpt #: 192 total cpu time spent up to now is 131.9 secs Computing kpt #: 193 total cpu time spent up to now is 132.5 secs Computing kpt #: 194 total cpu time spent up to now is 133.1 secs Computing kpt #: 195 total cpu time spent up to now is 133.7 secs Computing kpt #: 196 total cpu time spent up to now is 134.2 secs Computing kpt #: 197 total cpu time spent up to now is 134.8 secs Computing kpt #: 198 total cpu time spent up to now is 135.3 secs Computing kpt #: 199 total cpu time spent up to now is 135.9 secs Computing kpt #: 200 total cpu time spent up to now is 136.4 secs Computing kpt #: 201 total cpu time spent up to now is 137.0 secs Computing kpt #: 202 total cpu time spent up to now is 137.5 secs Computing kpt #: 203 total cpu time spent up to now is 138.0 secs Computing kpt #: 204 total cpu time spent up to now is 138.6 secs Computing kpt #: 205 total cpu time spent up to now is 139.1 secs Computing kpt #: 206 total cpu time spent up to now is 139.6 secs Computing kpt #: 207 total cpu time spent up to now is 140.2 secs Computing kpt #: 208 total cpu time spent up to now is 140.7 secs Computing kpt #: 209 total cpu time spent up to now is 141.2 secs Computing kpt #: 210 total cpu time spent up to now is 141.8 secs Computing kpt #: 211 total cpu time spent up to now is 142.3 secs Computing kpt #: 212 total cpu time spent up to now is 142.8 secs Computing kpt #: 213 total cpu time spent up to now is 143.4 secs Computing kpt #: 214 total cpu time spent up to now is 143.9 secs Computing kpt #: 215 total cpu time spent up to now is 144.5 secs Computing kpt #: 216 total cpu time spent up to now is 145.1 secs Computing kpt #: 217 total cpu time spent up to now is 145.6 secs Computing kpt #: 218 total cpu time spent up to now is 146.2 secs Computing kpt #: 219 total cpu time spent up to now is 146.8 secs Computing kpt #: 220 total cpu time spent up to now is 147.3 secs Computing kpt #: 221 total cpu time spent up to now is 147.9 secs Computing kpt #: 222 total cpu time spent up to now is 148.5 secs Computing kpt #: 223 total cpu time spent up to now is 149.1 secs Computing kpt #: 224 total cpu time spent up to now is 149.7 secs Computing kpt #: 225 total cpu time spent up to now is 150.3 secs Computing kpt #: 226 total cpu time spent up to now is 150.8 secs Computing kpt #: 227 total cpu time spent up to now is 151.4 secs Computing kpt #: 228 total cpu time spent up to now is 152.0 secs Computing kpt #: 229 total cpu time spent up to now is 152.6 secs Computing kpt #: 230 total cpu time spent up to now is 153.1 secs Computing kpt #: 231 total cpu time spent up to now is 153.7 secs Computing kpt #: 232 total cpu time spent up to now is 154.3 secs Computing kpt #: 233 total cpu time spent up to now is 154.8 secs Computing kpt #: 234 total cpu time spent up to now is 155.4 secs Computing kpt #: 235 total cpu time spent up to now is 156.0 secs Computing kpt #: 236 total cpu time spent up to now is 156.5 secs Computing kpt #: 237 total cpu time spent up to now is 157.1 secs Computing kpt #: 238 total cpu time spent up to now is 157.7 secs Computing kpt #: 239 total cpu time spent up to now is 158.3 secs Computing kpt #: 240 total cpu time spent up to now is 158.9 secs Computing kpt #: 241 total cpu time spent up to now is 159.5 secs Computing kpt #: 242 total cpu time spent up to now is 160.1 secs Computing kpt #: 243 total cpu time spent up to now is 160.7 secs Computing kpt #: 244 total cpu time spent up to now is 161.3 secs Computing kpt #: 245 total cpu time spent up to now is 161.9 secs Computing kpt #: 246 total cpu time spent up to now is 162.5 secs Computing kpt #: 247 total cpu time spent up to now is 163.1 secs Computing kpt #: 248 total cpu time spent up to now is 163.7 secs Computing kpt #: 249 total cpu time spent up to now is 164.4 secs Computing kpt #: 250 total cpu time spent up to now is 165.0 secs Computing kpt #: 251 total cpu time spent up to now is 165.6 secs Computing kpt #: 252 total cpu time spent up to now is 166.2 secs Computing kpt #: 253 total cpu time spent up to now is 166.8 secs Computing kpt #: 254 total cpu time spent up to now is 167.5 secs Computing kpt #: 255 total cpu time spent up to now is 168.1 secs Computing kpt #: 256 total cpu time spent up to now is 168.8 secs Computing kpt #: 257 total cpu time spent up to now is 169.4 secs Computing kpt #: 258 total cpu time spent up to now is 169.9 secs Computing kpt #: 259 total cpu time spent up to now is 170.5 secs Computing kpt #: 260 total cpu time spent up to now is 171.0 secs Computing kpt #: 261 total cpu time spent up to now is 171.6 secs Computing kpt #: 262 total cpu time spent up to now is 172.2 secs Computing kpt #: 263 total cpu time spent up to now is 172.7 secs Computing kpt #: 264 total cpu time spent up to now is 173.3 secs Computing kpt #: 265 total cpu time spent up to now is 173.9 secs Computing kpt #: 266 total cpu time spent up to now is 174.5 secs Computing kpt #: 267 total cpu time spent up to now is 175.2 secs Computing kpt #: 268 total cpu time spent up to now is 175.8 secs Computing kpt #: 269 total cpu time spent up to now is 176.4 secs Computing kpt #: 270 total cpu time spent up to now is 177.0 secs Computing kpt #: 271 total cpu time spent up to now is 177.6 secs Computing kpt #: 272 total cpu time spent up to now is 178.2 secs Computing kpt #: 273 total cpu time spent up to now is 178.8 secs Computing kpt #: 274 total cpu time spent up to now is 179.4 secs Computing kpt #: 275 total cpu time spent up to now is 180.0 secs Computing kpt #: 276 total cpu time spent up to now is 180.6 secs Computing kpt #: 277 total cpu time spent up to now is 181.3 secs Computing kpt #: 278 total cpu time spent up to now is 181.9 secs Computing kpt #: 279 total cpu time spent up to now is 182.5 secs Computing kpt #: 280 total cpu time spent up to now is 183.2 secs Computing kpt #: 281 total cpu time spent up to now is 183.8 secs Computing kpt #: 282 total cpu time spent up to now is 184.4 secs Computing kpt #: 283 total cpu time spent up to now is 185.0 secs Computing kpt #: 284 total cpu time spent up to now is 185.5 secs Computing kpt #: 285 total cpu time spent up to now is 186.1 secs Computing kpt #: 286 total cpu time spent up to now is 186.6 secs Computing kpt #: 287 total cpu time spent up to now is 187.2 secs Computing kpt #: 288 total cpu time spent up to now is 187.8 secs Computing kpt #: 289 total cpu time spent up to now is 188.3 secs Computing kpt #: 290 total cpu time spent up to now is 188.8 secs Computing kpt #: 291 total cpu time spent up to now is 189.4 secs Computing kpt #: 292 total cpu time spent up to now is 189.9 secs Computing kpt #: 293 total cpu time spent up to now is 190.5 secs Computing kpt #: 294 total cpu time spent up to now is 191.0 secs Computing kpt #: 295 total cpu time spent up to now is 191.6 secs Computing kpt #: 296 total cpu time spent up to now is 192.1 secs Computing kpt #: 297 total cpu time spent up to now is 192.6 secs Computing kpt #: 298 total cpu time spent up to now is 193.2 secs Computing kpt #: 299 total cpu time spent up to now is 193.7 secs Computing kpt #: 300 total cpu time spent up to now is 194.2 secs ethr = 3.57E-08, avg # of iterations = 18.0 total cpu time spent up to now is 194.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15569 PWs) bands (ev): -42.7274 -42.7274 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7580 -6.7580 -6.4342 -6.4342 -0.1704 -0.1704 2.5432 2.5432 2.6686 2.6686 2.7026 2.7026 2.9928 2.9928 3.1182 3.1182 4.8322 4.8322 6.5394 6.5394 6.6225 6.6225 6.6497 6.6497 k = 0.0119 0.0069-0.0000 ( 15559 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7575 -6.7575 -6.4339 -6.4339 -0.1694 -0.1694 2.5384 2.5384 2.6652 2.6652 2.6994 2.6994 2.9897 2.9897 3.1134 3.1134 4.8376 4.8376 6.5244 6.5244 6.6259 6.6259 6.6558 6.6558 k = 0.0238 0.0137-0.0000 ( 15563 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7561 -6.7561 -6.4329 -6.4329 -0.1663 -0.1663 2.5239 2.5239 2.6528 2.6528 2.6924 2.6924 2.9795 2.9795 3.1001 3.1001 4.8534 4.8534 6.4961 6.4961 6.6347 6.6347 6.6682 6.6682 k = 0.0357 0.0206-0.0000 ( 15559 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7537 -6.7537 -6.4312 -6.4312 -0.1612 -0.1612 2.4993 2.4993 2.6288 2.6288 2.6854 2.6854 2.9599 2.9599 3.0817 3.0817 4.8781 4.8781 6.4681 6.4681 6.6479 6.6479 6.6886 6.6886 k = 0.0476 0.0275-0.0000 ( 15555 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6884 -42.6884 -42.6750 -42.6750 -42.4221 -42.4221 -42.4220 -42.4220 -6.7503 -6.7503 -6.4289 -6.4289 -0.1540 -0.1540 2.4640 2.4640 2.5948 2.5948 2.6784 2.6784 2.9290 2.9290 3.0619 3.0619 4.9100 4.9100 6.4440 6.4440 6.6641 6.6641 6.7175 6.7175 k = 0.0595 0.0344-0.0000 ( 15557 PWs) bands (ev): -42.7272 -42.7272 -42.7136 -42.7136 -42.6884 -42.6884 -42.6750 -42.6750 -42.4222 -42.4222 -42.4220 -42.4220 -6.7460 -6.7460 -6.4260 -6.4260 -0.1448 -0.1448 2.4172 2.4172 2.5544 2.5544 2.6696 2.6696 2.8870 2.8870 3.0427 3.0427 4.9467 4.9467 6.4248 6.4248 6.6819 6.6819 6.7548 6.7548 k = 0.0714 0.0412-0.0000 ( 15553 PWs) bands (ev): -42.7272 -42.7272 -42.7136 -42.7136 -42.6883 -42.6883 -42.6750 -42.6750 -42.4222 -42.4222 -42.4220 -42.4220 -6.7407 -6.7407 -6.4225 -6.4225 -0.1335 -0.1335 2.3589 2.3589 2.5103 2.5103 2.6565 2.6565 2.8377 2.8377 3.0241 3.0241 4.9863 4.9863 6.4106 6.4106 6.6999 6.6999 6.8008 6.8008 k = 0.0833 0.0481-0.0000 ( 15559 PWs) bands (ev): -42.7271 -42.7271 -42.7136 -42.7136 -42.6883 -42.6883 -42.6751 -42.6751 -42.4222 -42.4222 -42.4220 -42.4220 -6.7346 -6.7346 -6.4183 -6.4183 -0.1202 -0.1202 2.2897 2.2897 2.4640 2.4640 2.6347 2.6347 2.7880 2.7880 3.0048 3.0048 5.0268 5.0268 6.4011 6.4011 6.7173 6.7173 6.8555 6.8555 k = 0.0952 0.0550-0.0000 ( 15531 PWs) bands (ev): -42.7270 -42.7270 -42.7137 -42.7137 -42.6882 -42.6882 -42.6751 -42.6751 -42.4222 -42.4222 -42.4221 -42.4221 -6.7275 -6.7275 -6.4136 -6.4136 -0.1049 -0.1049 2.2114 2.2114 2.4159 2.4159 2.5976 2.5976 2.7465 2.7465 2.9840 2.9840 5.0670 5.0670 6.3961 6.3961 6.7338 6.7338 6.9187 6.9187 k = 0.1071 0.0619-0.0000 ( 15515 PWs) bands (ev): -42.7269 -42.7269 -42.7137 -42.7137 -42.6881 -42.6881 -42.6752 -42.6752 -42.4222 -42.4222 -42.4221 -42.4221 -6.7196 -6.7196 -6.4083 -6.4083 -0.0876 -0.0876 2.1257 2.1257 2.3658 2.3658 2.5427 2.5427 2.7178 2.7178 2.9615 2.9615 5.1056 5.1056 6.3952 6.3952 6.7494 6.7494 6.9904 6.9904 k = 0.1190 0.0687-0.0000 ( 15513 PWs) bands (ev): -42.7268 -42.7268 -42.7138 -42.7138 -42.6881 -42.6881 -42.6753 -42.6753 -42.4222 -42.4222 -42.4221 -42.4221 -6.7109 -6.7109 -6.4025 -6.4025 -0.0682 -0.0682 2.0345 2.0345 2.3131 2.3131 2.4751 2.4751 2.6983 2.6983 2.9370 2.9370 5.1421 5.1421 6.3982 6.3982 6.7643 6.7643 7.0704 7.0704 k = 0.1310 0.0756-0.0000 ( 15511 PWs) bands (ev): -42.7267 -42.7267 -42.7138 -42.7138 -42.6880 -42.6880 -42.6754 -42.6754 -42.4222 -42.4222 -42.4221 -42.4221 -6.7013 -6.7013 -6.3962 -6.3962 -0.0469 -0.0469 1.9392 1.9392 2.2573 2.2573 2.4017 2.4017 2.6829 2.6829 2.9108 2.9108 5.1759 5.1759 6.4044 6.4044 6.7790 6.7790 7.1583 7.1583 k = 0.1429 0.0825-0.0000 ( 15515 PWs) bands (ev): -42.7266 -42.7266 -42.7139 -42.7139 -42.6879 -42.6879 -42.6754 -42.6754 -42.4223 -42.4223 -42.4221 -42.4221 -6.6909 -6.6909 -6.3894 -6.3894 -0.0235 -0.0235 1.8411 1.8411 2.1970 2.1970 2.3274 2.3274 2.6689 2.6689 2.8830 2.8830 5.2070 5.2070 6.4136 6.4136 6.7937 6.7937 7.2536 7.2536 k = 0.1548 0.0894-0.0000 ( 15533 PWs) bands (ev): -42.7264 -42.7264 -42.7140 -42.7140 -42.6878 -42.6878 -42.6755 -42.6755 -42.4223 -42.4223 -42.4221 -42.4221 -6.6798 -6.6798 -6.3822 -6.3822 0.0018 0.0018 1.7411 1.7411 2.1307 2.1307 2.2560 2.2560 2.6549 2.6549 2.8540 2.8540 5.2354 5.2354 6.4253 6.4253 6.8086 6.8086 7.3172 7.3172 k = 0.1667 0.0962-0.0000 ( 15521 PWs) bands (ev): -42.7263 -42.7263 -42.7140 -42.7140 -42.6877 -42.6877 -42.6756 -42.6756 -42.4223 -42.4223 -42.4222 -42.4222 -6.6679 -6.6679 -6.3747 -6.3747 0.0290 0.0290 1.6403 1.6403 2.0576 2.0576 2.1897 2.1897 2.6400 2.6400 2.8241 2.8241 5.2612 5.2612 6.4391 6.4391 6.8241 6.8241 7.1811 7.1811 k = 0.1786 0.1031-0.0000 ( 15521 PWs) bands (ev): -42.7261 -42.7261 -42.7141 -42.7141 -42.6876 -42.6876 -42.6757 -42.6757 -42.4223 -42.4223 -42.4222 -42.4222 -6.6554 -6.6554 -6.3668 -6.3668 0.0582 0.0582 1.5392 1.5392 1.9785 1.9785 2.1287 2.1287 2.6236 2.6236 2.7937 2.7937 5.2846 5.2846 6.4545 6.4545 6.8403 6.8403 7.0458 7.0458 k = 0.1905 0.1100-0.0000 ( 15533 PWs) bands (ev): -42.7260 -42.7260 -42.7142 -42.7142 -42.6874 -42.6874 -42.6759 -42.6759 -42.4224 -42.4224 -42.4222 -42.4222 -6.6423 -6.6423 -6.3586 -6.3586 0.0893 0.0893 1.4385 1.4385 1.8954 1.8954 2.0721 2.0721 2.6055 2.6055 2.7631 2.7631 5.3059 5.3059 6.4711 6.4711 6.8565 6.8565 6.9146 6.9146 k = 0.2024 0.1168-0.0000 ( 15535 PWs) bands (ev): -42.7258 -42.7258 -42.7143 -42.7143 -42.6873 -42.6873 -42.6760 -42.6760 -42.4224 -42.4224 -42.4222 -42.4222 -6.6286 -6.6286 -6.3502 -6.3502 0.1223 0.1223 1.3388 1.3388 1.8103 1.8103 2.0185 2.0185 2.5853 2.5853 2.7327 2.7327 5.3253 5.3253 6.4885 6.4885 6.7831 6.7831 6.8780 6.8780 k = 0.2143 0.1237-0.0000 ( 15531 PWs) bands (ev): -42.7256 -42.7256 -42.7144 -42.7144 -42.6872 -42.6872 -42.6761 -42.6761 -42.4224 -42.4224 -42.4223 -42.4223 -6.6144 -6.6144 -6.3416 -6.3416 0.1572 0.1572 1.2404 1.2404 1.7244 1.7244 1.9673 1.9673 2.5630 2.5630 2.7026 2.7026 5.3431 5.3431 6.5063 6.5063 6.6589 6.6589 6.8975 6.8975 k = 0.2262 0.1306-0.0000 ( 15521 PWs) bands (ev): -42.7254 -42.7254 -42.7145 -42.7145 -42.6870 -42.6870 -42.6763 -42.6763 -42.4224 -42.4224 -42.4223 -42.4223 -6.5997 -6.5997 -6.3329 -6.3329 0.1938 0.1938 1.1438 1.1438 1.6389 1.6389 1.9180 1.9180 2.5385 2.5385 2.6729 2.6729 5.3595 5.3595 6.5239 6.5239 6.5389 6.5389 6.9191 6.9191 k = 0.2381 0.1375-0.0000 ( 15537 PWs) bands (ev): -42.7253 -42.7253 -42.7146 -42.7146 -42.6869 -42.6869 -42.6764 -42.6764 -42.4225 -42.4225 -42.4223 -42.4223 -6.5846 -6.5846 -6.3241 -6.3241 0.2322 0.2322 1.0494 1.0494 1.5544 1.5544 1.8706 1.8706 2.5121 2.5121 2.6434 2.6434 5.3747 5.3747 6.4226 6.4226 6.5419 6.5419 6.9425 6.9425 k = 0.2500 0.1443-0.0000 ( 15529 PWs) bands (ev): -42.7251 -42.7251 -42.7147 -42.7147 -42.6867 -42.6867 -42.6765 -42.6765 -42.4225 -42.4225 -42.4223 -42.4223 -6.5691 -6.5691 -6.3153 -6.3153 0.2724 0.2724 0.9574 0.9574 1.4714 1.4714 1.8249 1.8249 2.4842 2.4842 2.6138 2.6138 5.3889 5.3889 6.3114 6.3114 6.5591 6.5591 6.9677 6.9677 k = 0.2619 0.1512-0.0000 ( 15513 PWs) bands (ev): -42.7249 -42.7249 -42.7148 -42.7148 -42.6866 -42.6866 -42.6767 -42.6767 -42.4225 -42.4225 -42.4224 -42.4224 -6.5534 -6.5534 -6.3066 -6.3066 0.3141 0.3141 0.8683 0.8683 1.3903 1.3903 1.7809 1.7809 2.4550 2.4550 2.5839 2.5839 5.4021 5.4021 6.2051 6.2051 6.5756 6.5756 6.9947 6.9947 k = 0.2738 0.1581-0.0000 ( 15517 PWs) bands (ev): -42.7247 -42.7247 -42.7150 -42.7150 -42.6864 -42.6864 -42.6768 -42.6768 -42.4226 -42.4226 -42.4224 -42.4224 -6.5375 -6.5375 -6.2980 -6.2980 0.3573 0.3573 0.7822 0.7822 1.3115 1.3115 1.7387 1.7387 2.4249 2.4249 2.5534 2.5534 5.4146 5.4146 6.1041 6.1041 6.5912 6.5912 7.0236 7.0236 k = 0.2857 0.1650-0.0000 ( 15509 PWs) bands (ev): -42.7244 -42.7244 -42.7151 -42.7151 -42.6862 -42.6862 -42.6770 -42.6770 -42.4226 -42.4226 -42.4224 -42.4224 -6.5214 -6.5214 -6.2896 -6.2896 0.4016 0.4016 0.6998 0.6998 1.2354 1.2354 1.6983 1.6983 2.3943 2.3943 2.5219 2.5219 5.4264 5.4264 6.0083 6.0083 6.6059 6.6059 7.0543 7.0543 k = 0.2976 0.1718-0.0000 ( 15517 PWs) bands (ev): -42.7242 -42.7242 -42.7152 -42.7152 -42.6861 -42.6861 -42.6772 -42.6772 -42.4226 -42.4226 -42.4224 -42.4224 -6.5053 -6.5053 -6.2815 -6.2815 0.4461 0.4461 0.6221 0.6221 1.1621 1.1621 1.6598 1.6598 2.3634 2.3634 2.4895 2.4895 5.4376 5.4376 5.9179 5.9179 6.6195 6.6195 7.0867 7.0867 k = 0.3095 0.1787-0.0000 ( 15523 PWs) bands (ev): -42.7240 -42.7240 -42.7154 -42.7154 -42.6859 -42.6859 -42.6773 -42.6773 -42.4227 -42.4227 -42.4225 -42.4225 -6.4892 -6.4892 -6.2736 -6.2736 0.4835 0.4835 0.5565 0.5565 1.0920 1.0920 1.6232 1.6232 2.3321 2.3321 2.4560 2.4560 5.4482 5.4482 5.8332 5.8332 6.6321 6.6321 7.1206 7.1206 k = 0.3214 0.1856-0.0000 ( 15525 PWs) bands (ev): -42.7238 -42.7238 -42.7155 -42.7155 -42.6857 -42.6857 -42.6775 -42.6775 -42.4227 -42.4227 -42.4225 -42.4225 -6.4732 -6.4732 -6.2662 -6.2662 0.4574 0.4574 0.5591 0.5591 1.0254 1.0254 1.5886 1.5886 2.3004 2.3004 2.4218 2.4218 5.4582 5.4582 5.7540 5.7540 6.6437 6.6437 7.1558 7.1558 k = 0.3333 0.1925-0.0000 ( 15517 PWs) bands (ev): -42.7236 -42.7236 -42.7156 -42.7156 -42.6856 -42.6856 -42.6777 -42.6777 -42.4227 -42.4227 -42.4225 -42.4225 -6.4574 -6.4574 -6.2591 -6.2591 0.3942 0.3942 0.6038 0.6038 0.9628 0.9628 1.5560 1.5560 2.2679 2.2679 2.3872 2.3872 5.4677 5.4677 5.6805 5.6805 6.6543 6.6543 7.1922 7.1922 k = 0.3452 0.1993-0.0000 ( 15515 PWs) bands (ev): -42.7234 -42.7234 -42.7158 -42.7158 -42.6854 -42.6854 -42.6778 -42.6778 -42.4227 -42.4227 -42.4225 -42.4225 -6.4419 -6.4419 -6.2526 -6.2526 0.3310 0.3310 0.6527 0.6527 0.9047 0.9047 1.5255 1.5255 2.2342 2.2342 2.3531 2.3531 5.4766 5.4766 5.6128 5.6128 6.6639 6.6639 7.2294 7.2294 k = 0.3571 0.2062-0.0000 ( 15519 PWs) bands (ev): -42.7232 -42.7232 -42.7159 -42.7159 -42.6852 -42.6852 -42.6780 -42.6780 -42.4228 -42.4228 -42.4225 -42.4225 -6.4268 -6.4268 -6.2466 -6.2466 0.2712 0.2712 0.7004 0.7004 0.8536 0.8536 1.4972 1.4972 2.1985 2.1985 2.3202 2.3202 5.4846 5.4846 5.5510 5.5510 6.6725 6.6725 7.2346 7.2346 k = 0.3690 0.2131-0.0000 ( 15505 PWs) bands (ev): -42.7230 -42.7230 -42.7161 -42.7161 -42.6850 -42.6850 -42.6782 -42.6782 -42.4228 -42.4228 -42.4226 -42.4226 -6.4122 -6.4122 -6.2412 -6.2412 0.2154 0.2154 0.7347 0.7347 0.8211 0.8211 1.4711 1.4711 2.1602 2.1602 2.2895 2.2895 5.4858 5.4858 5.5011 5.5011 6.6803 6.6803 7.2035 7.2035 k = 0.3810 0.2199-0.0000 ( 15497 PWs) bands (ev): -42.7228 -42.7228 -42.7162 -42.7162 -42.6849 -42.6849 -42.6783 -42.6783 -42.4228 -42.4228 -42.4226 -42.4226 -6.3981 -6.3981 -6.2364 -6.2364 0.1640 0.1640 0.7227 0.7227 0.8398 0.8398 1.4472 1.4472 2.1188 2.1188 2.2616 2.2616 5.4413 5.4413 5.5018 5.5018 6.6872 6.6872 7.1750 7.1750 k = 0.3929 0.2268-0.0000 ( 15485 PWs) bands (ev): -42.7226 -42.7226 -42.7163 -42.7163 -42.6847 -42.6847 -42.6785 -42.6785 -42.4228 -42.4228 -42.4226 -42.4226 -6.3848 -6.3848 -6.2323 -6.2323 0.1170 0.1170 0.6869 0.6869 0.8871 0.8871 1.4257 1.4257 2.0744 2.0744 2.2370 2.2370 5.3961 5.3961 5.5082 5.5082 6.6934 6.6934 7.1491 7.1491 k = 0.4048 0.2337-0.0000 ( 15490 PWs) bands (ev): -42.7224 -42.7224 -42.7165 -42.7165 -42.6845 -42.6845 -42.6786 -42.6786 -42.4228 -42.4228 -42.4226 -42.4226 -6.3722 -6.3722 -6.2288 -6.2288 0.0746 0.0746 0.6500 0.6500 0.9399 0.9399 1.4066 1.4066 2.0274 2.0274 2.2155 2.2155 5.3557 5.3557 5.5142 5.5142 6.6988 6.6988 7.1260 7.1260 k = 0.4167 0.2406-0.0000 ( 15496 PWs) bands (ev): -42.7223 -42.7223 -42.7166 -42.7166 -42.6844 -42.6844 -42.6788 -42.6788 -42.4229 -42.4229 -42.4226 -42.4226 -6.3607 -6.3607 -6.2259 -6.2259 0.0370 0.0370 0.6161 0.6161 0.9939 0.9939 1.3901 1.3901 1.9786 1.9786 2.1970 2.1970 5.3205 5.3205 5.5197 5.5197 6.7035 6.7035 7.1055 7.1055 k = 0.4286 0.2474-0.0000 ( 15496 PWs) bands (ev): -42.7221 -42.7221 -42.7167 -42.7167 -42.6843 -42.6843 -42.6789 -42.6789 -42.4229 -42.4229 -42.4226 -42.4226 -6.3501 -6.3501 -6.2237 -6.2237 0.0042 0.0042 0.5860 0.5860 1.0475 1.0475 1.3762 1.3762 1.9288 1.9288 2.1813 2.1813 5.2903 5.2903 5.5245 5.5245 6.7074 6.7074 7.0878 7.0878 k = 0.4405 0.2543-0.0000 ( 15494 PWs) bands (ev): -42.7220 -42.7220 -42.7168 -42.7168 -42.6842 -42.6842 -42.6790 -42.6790 -42.4229 -42.4229 -42.4226 -42.4226 -6.3408 -6.3408 -6.2220 -6.2220 -0.0237 -0.0237 0.5603 0.5603 1.0992 1.0992 1.3654 1.3654 1.8791 1.8791 2.1682 2.1682 5.2650 5.2650 5.5287 5.5287 6.7108 6.7108 7.0728 7.0728 k = 0.4524 0.2612-0.0000 ( 15500 PWs) bands (ev): -42.7219 -42.7219 -42.7169 -42.7169 -42.6840 -42.6840 -42.6791 -42.6791 -42.4229 -42.4229 -42.4226 -42.4226 -6.3329 -6.3329 -6.2208 -6.2208 -0.0466 -0.0466 0.5390 0.5390 1.1471 1.1471 1.3580 1.3580 1.8310 1.8310 2.1576 2.1576 5.2445 5.2445 5.5321 5.5321 6.7135 6.7135 7.0605 7.0605 k = 0.4643 0.2681-0.0000 ( 15492 PWs) bands (ev): -42.7218 -42.7218 -42.7170 -42.7170 -42.6840 -42.6840 -42.6792 -42.6792 -42.4229 -42.4229 -42.4226 -42.4226 -6.3265 -6.3265 -6.2201 -6.2201 -0.0645 -0.0645 0.5224 0.5224 1.1888 1.1888 1.3547 1.3547 1.7867 1.7867 2.1494 2.1494 5.2286 5.2286 5.5348 5.5348 6.7156 6.7156 7.0509 7.0509 k = 0.4762 0.2749-0.0000 ( 15498 PWs) bands (ev): -42.7217 -42.7217 -42.7170 -42.7170 -42.6839 -42.6839 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3218 -6.3218 -6.2197 -6.2197 -0.0773 -0.0773 0.5105 0.5105 1.2206 1.2206 1.3558 1.3558 1.7494 1.7494 2.1436 2.1436 5.2174 5.2174 5.5368 5.5368 6.7170 6.7170 7.0440 7.0440 k = 0.4881 0.2818-0.0000 ( 15490 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6839 -42.6839 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3189 -6.3189 -6.2194 -6.2194 -0.0850 -0.0850 0.5033 0.5033 1.2398 1.2398 1.3598 1.3598 1.7236 1.7236 2.1402 2.1402 5.2106 5.2106 5.5379 5.5379 6.7179 6.7179 7.0399 7.0399 k = 0.5000 0.2887-0.0000 ( 15490 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3179 -6.3179 -6.2194 -6.2194 -0.0875 -0.0875 0.5009 0.5009 1.2460 1.2460 1.3621 1.3621 1.7142 1.7142 2.1390 2.1390 5.2084 5.2084 5.5383 5.5383 6.7182 6.7182 7.0386 7.0386 k = 0.5000 0.2887-0.0000 ( 15490 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3179 -6.3179 -6.2194 -6.2194 -0.0875 -0.0875 0.5009 0.5009 1.2460 1.2460 1.3621 1.3621 1.7142 1.7142 2.1390 2.1390 5.2084 5.2084 5.5383 5.5383 6.7182 6.7182 7.0386 7.0386 k = 0.4931 0.3007-0.0000 ( 15498 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3177 -6.3177 -6.2193 -6.2193 -0.0868 -0.0868 0.5010 0.5010 1.2455 1.2455 1.3596 1.3596 1.7147 1.7147 2.1358 2.1358 5.1999 5.1999 5.5456 5.5456 6.7246 6.7246 7.0476 7.0476 k = 0.4861 0.3127-0.0000 ( 15494 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3169 -6.3169 -6.2190 -6.2190 -0.0845 -0.0845 0.5014 0.5014 1.2434 1.2434 1.3525 1.3525 1.7164 1.7164 2.1262 2.1262 5.1750 5.1750 5.5674 5.5674 6.7437 6.7437 7.0743 7.0743 k = 0.4792 0.3248-0.0000 ( 15492 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3157 -6.3157 -6.2185 -6.2185 -0.0807 -0.0807 0.5020 0.5020 1.2383 1.2383 1.3427 1.3427 1.7191 1.7191 2.1105 2.1105 5.1352 5.1352 5.6035 5.6035 6.7750 6.7750 7.1171 7.1171 k = 0.4722 0.3368-0.0000 ( 15504 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6794 -42.6794 -42.4229 -42.4229 -42.4227 -42.4227 -6.3139 -6.3139 -6.2179 -6.2179 -0.0755 -0.0755 0.5028 0.5028 1.2274 1.2274 1.3334 1.3334 1.7227 1.7227 2.0893 2.0893 5.0828 5.0828 5.6532 5.6532 6.8180 6.8180 7.1737 7.1737 k = 0.4653 0.3488-0.0000 ( 15486 PWs) bands (ev): -42.7215 -42.7215 -42.7172 -42.7172 -42.6837 -42.6837 -42.6794 -42.6794 -42.4229 -42.4229 -42.4227 -42.4227 -6.3117 -6.3117 -6.2171 -6.2171 -0.0687 -0.0687 0.5037 0.5037 1.2080 1.2080 1.3279 1.3279 1.7272 1.7272 2.0630 2.0630 5.0201 5.0201 5.7160 5.7160 6.8718 6.8718 7.2417 7.2417 k = 0.4583 0.3608-0.0000 ( 15474 PWs) bands (ev): -42.7215 -42.7215 -42.7172 -42.7172 -42.6837 -42.6837 -42.6795 -42.6795 -42.4229 -42.4229 -42.4227 -42.4227 -6.3090 -6.3090 -6.2162 -6.2162 -0.0604 -0.0604 0.5048 0.5048 1.1793 1.1793 1.3277 1.3277 1.7323 1.7323 2.0324 2.0324 4.9495 4.9495 5.7910 5.7910 6.9350 6.9350 7.3188 7.3188 k = 0.4514 0.3729-0.0000 ( 15472 PWs) bands (ev): -42.7214 -42.7214 -42.7173 -42.7173 -42.6836 -42.6836 -42.6795 -42.6795 -42.4229 -42.4229 -42.4227 -42.4227 -6.3059 -6.3059 -6.2152 -6.2152 -0.0507 -0.0507 0.5058 0.5058 1.1429 1.1429 1.3322 1.3322 1.7376 1.7376 1.9985 1.9985 4.8731 4.8731 5.8775 5.8775 7.0063 7.0063 7.4027 7.4027 k = 0.4444 0.3849-0.0000 ( 15460 PWs) bands (ev): -42.7213 -42.7213 -42.7173 -42.7173 -42.6836 -42.6836 -42.6796 -42.6796 -42.4229 -42.4229 -42.4227 -42.4227 -6.3023 -6.3023 -6.2141 -6.2141 -0.0395 -0.0395 0.5068 0.5068 1.1005 1.1005 1.3401 1.3401 1.7427 1.7427 1.9625 1.9625 4.7929 4.7929 5.9745 5.9745 7.0835 7.0835 7.4918 7.4918 k = 0.4375 0.3969-0.0000 ( 15468 PWs) bands (ev): -42.7212 -42.7212 -42.7174 -42.7174 -42.6835 -42.6835 -42.6796 -42.6796 -42.4229 -42.4229 -42.4227 -42.4227 -6.2984 -6.2984 -6.2130 -6.2130 -0.0267 -0.0267 0.5076 0.5076 1.0539 1.0539 1.3508 1.3508 1.7466 1.7466 1.9258 1.9258 4.7103 4.7103 6.0810 6.0810 7.1642 7.1642 7.5843 7.5843 k = 0.4306 0.4090-0.0000 ( 15464 PWs) bands (ev): -42.7212 -42.7212 -42.7175 -42.7175 -42.6834 -42.6834 -42.6797 -42.6797 -42.4229 -42.4229 -42.4227 -42.4227 -6.2941 -6.2941 -6.2118 -6.2118 -0.0126 -0.0126 0.5081 0.5081 1.0043 1.0043 1.3636 1.3636 1.7477 1.7477 1.8906 1.8906 4.6269 4.6269 6.1960 6.1960 7.2454 7.2454 7.6789 7.6789 k = 0.4236 0.4210-0.0000 ( 15444 PWs) bands (ev): -42.7211 -42.7211 -42.7175 -42.7175 -42.6833 -42.6833 -42.6798 -42.6798 -42.4229 -42.4229 -42.4227 -42.4227 -6.2895 -6.2895 -6.2107 -6.2107 0.0030 0.0030 0.5081 0.5081 0.9527 0.9527 1.3783 1.3783 1.7429 1.7429 1.8607 1.8607 4.5438 4.5438 6.3188 6.3188 7.3237 7.3237 7.7745 7.7745 k = 0.4167 0.4330-0.0000 ( 15440 PWs) bands (ev): -42.7209 -42.7209 -42.7176 -42.7176 -42.6832 -42.6832 -42.6799 -42.6799 -42.4229 -42.4229 -42.4227 -42.4227 -6.2847 -6.2847 -6.2097 -6.2097 0.0201 0.0201 0.5076 0.5076 0.9001 0.9001 1.3947 1.3947 1.7282 1.7282 1.8405 1.8405 4.4621 4.4621 6.4481 6.4481 7.3960 7.3960 7.8699 7.8699 k = 0.4097 0.4450-0.0000 ( 15440 PWs) bands (ev): -42.7208 -42.7208 -42.7177 -42.7177 -42.6831 -42.6831 -42.6800 -42.6800 -42.4229 -42.4229 -42.4227 -42.4227 -6.2796 -6.2796 -6.2088 -6.2088 0.0385 0.0385 0.5062 0.5062 0.8474 0.8474 1.4126 1.4126 1.7032 1.7032 1.8308 1.8308 4.3827 4.3827 6.5831 6.5831 7.4606 7.4606 7.9647 7.9647 k = 0.4028 0.4571-0.0000 ( 15450 PWs) bands (ev): -42.7207 -42.7207 -42.7178 -42.7178 -42.6830 -42.6830 -42.6801 -42.6801 -42.4230 -42.4230 -42.4227 -42.4227 -6.2743 -6.2743 -6.2081 -6.2081 0.0582 0.0582 0.5039 0.5039 0.7952 0.7952 1.4318 1.4318 1.6723 1.6723 1.8277 1.8277 4.3066 4.3066 6.7226 6.7226 7.5174 7.5174 8.0588 8.0588 k = 0.3958 0.4691-0.0000 ( 15450 PWs) bands (ev): -42.7206 -42.7206 -42.7179 -42.7179 -42.6829 -42.6829 -42.6802 -42.6802 -42.4230 -42.4230 -42.4227 -42.4227 -6.2688 -6.2688 -6.2076 -6.2076 0.0792 0.0792 0.5002 0.5002 0.7444 0.7444 1.4521 1.4521 1.6399 1.6399 1.8270 1.8270 4.2345 4.2345 6.8655 6.8655 7.5673 7.5673 8.1515 8.1515 k = 0.3889 0.4811-0.0000 ( 15450 PWs) bands (ev): -42.7205 -42.7205 -42.7180 -42.7180 -42.6828 -42.6828 -42.6803 -42.6803 -42.4230 -42.4230 -42.4227 -42.4227 -6.2633 -6.2633 -6.2073 -6.2073 0.1014 0.1014 0.4950 0.4950 0.6958 0.6958 1.4728 1.4728 1.6093 1.6093 1.8263 1.8263 4.1674 4.1674 7.0105 7.0105 7.6119 7.6119 8.2421 8.2421 k = 0.3819 0.4932-0.0000 ( 15460 PWs) bands (ev): -42.7203 -42.7203 -42.7182 -42.7182 -42.6826 -42.6826 -42.6805 -42.6805 -42.4230 -42.4230 -42.4227 -42.4227 -6.2577 -6.2577 -6.2075 -6.2075 0.1247 0.1247 0.4877 0.4877 0.6504 0.6504 1.4925 1.4925 1.5832 1.5832 1.8241 1.8241 4.1061 4.1061 7.1560 7.1560 7.6524 7.6524 8.3301 8.3301 k = 0.3750 0.5052-0.0000 ( 15464 PWs) bands (ev): -42.7202 -42.7202 -42.7183 -42.7183 -42.6825 -42.6825 -42.6806 -42.6806 -42.4230 -42.4230 -42.4227 -42.4227 -6.2521 -6.2521 -6.2080 -6.2080 0.1487 0.1487 0.4778 0.4778 0.6092 0.6092 1.5057 1.5057 1.5679 1.5679 1.8195 1.8195 4.0512 4.0512 7.3001 7.3001 7.6899 7.6899 8.4151 8.4151 k = 0.3681 0.5172-0.0000 ( 15472 PWs) bands (ev): -42.7200 -42.7200 -42.7184 -42.7184 -42.6824 -42.6824 -42.6808 -42.6808 -42.4230 -42.4230 -42.4227 -42.4227 -6.2466 -6.2466 -6.2089 -6.2089 0.1732 0.1732 0.4646 0.4646 0.5738 0.5738 1.5033 1.5033 1.5732 1.5732 1.8117 1.8117 4.0036 4.0036 7.4403 7.4403 7.7248 7.7248 8.4967 8.4967 k = 0.3611 0.5292-0.0000 ( 15478 PWs) bands (ev): -42.7199 -42.7199 -42.7186 -42.7186 -42.6822 -42.6822 -42.6809 -42.6809 -42.4230 -42.4230 -42.4227 -42.4227 -6.2412 -6.2412 -6.2103 -6.2103 0.1975 0.1975 0.4480 0.4480 0.5454 0.5454 1.4911 1.4911 1.5935 1.5935 1.8002 1.8002 3.9638 3.9638 7.5729 7.5729 7.7573 7.7573 8.5733 8.5733 k = 0.3542 0.5413-0.0000 ( 15454 PWs) bands (ev): -42.7197 -42.7197 -42.7187 -42.7187 -42.6820 -42.6820 -42.6810 -42.6810 -42.4230 -42.4230 -42.4227 -42.4227 -6.2360 -6.2360 -6.2123 -6.2123 0.2205 0.2205 0.4292 0.4292 0.5240 0.5240 1.4787 1.4787 1.6194 1.6194 1.7844 1.7844 3.9323 3.9323 7.6925 7.6925 7.7875 7.7875 8.5810 8.5810 k = 0.3472 0.5533-0.0000 ( 15462 PWs) bands (ev): -42.7196 -42.7196 -42.7189 -42.7189 -42.6819 -42.6819 -42.6812 -42.6812 -42.4230 -42.4230 -42.4227 -42.4227 -6.2310 -6.2310 -6.2148 -6.2148 0.2404 0.2404 0.4117 0.4117 0.5089 0.5089 1.4692 1.4692 1.6477 1.6477 1.7642 1.7642 3.9097 3.9097 7.7901 7.7901 7.8151 7.8151 8.4936 8.4936 k = 0.3403 0.5653-0.0000 ( 15448 PWs) bands (ev): -42.7194 -42.7194 -42.7190 -42.7190 -42.6817 -42.6817 -42.6814 -42.6814 -42.4230 -42.4230 -42.4227 -42.4227 -6.2263 -6.2263 -6.2180 -6.2180 0.2539 0.2539 0.3998 0.3998 0.4992 0.4992 1.4635 1.4635 1.6775 1.6775 1.7395 1.7395 3.8960 3.8960 7.8396 7.8396 7.8513 7.8513 8.4307 8.4307 k = 0.3333 0.5774-0.0000 ( 15456 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2219 -6.2219 -6.2219 -6.2219 0.2585 0.2585 0.3960 0.3960 0.4955 0.4955 1.4616 1.4616 1.7033 1.7033 1.7154 1.7154 3.8914 3.8914 7.8598 7.8598 7.8610 7.8610 8.4088 8.4088 k = 0.3333 0.5774-0.0000 ( 15456 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2219 -6.2219 -6.2219 -6.2219 0.2585 0.2585 0.3960 0.3960 0.4955 0.4955 1.4616 1.4616 1.7033 1.7033 1.7154 1.7154 3.8914 3.8914 7.8598 7.8598 7.8610 7.8610 8.4088 8.4088 k = 0.3264 0.5653-0.0000 ( 15454 PWs) bands (ev): -42.7194 -42.7194 -42.7190 -42.7190 -42.6817 -42.6817 -42.6814 -42.6814 -42.4230 -42.4230 -42.4227 -42.4227 -6.2264 -6.2264 -6.2179 -6.2179 0.2549 0.2549 0.3981 0.3981 0.5000 0.5000 1.4634 1.4634 1.6749 1.6749 1.7422 1.7422 3.8959 3.8959 7.8181 7.8181 7.8768 7.8768 8.4259 8.4259 k = 0.3194 0.5533-0.0000 ( 15462 PWs) bands (ev): -42.7196 -42.7196 -42.7189 -42.7189 -42.6819 -42.6819 -42.6812 -42.6812 -42.4230 -42.4230 -42.4227 -42.4227 -6.2317 -6.2317 -6.2143 -6.2143 0.2469 0.2469 0.4007 0.4007 0.5148 0.5148 1.4684 1.4684 1.6375 1.6375 1.7751 1.7751 3.9093 3.9093 7.7425 7.7425 7.8878 7.8878 8.4631 8.4631 k = 0.3125 0.5413-0.0000 ( 15474 PWs) bands (ev): -42.7198 -42.7198 -42.7187 -42.7187 -42.6821 -42.6821 -42.6810 -42.6810 -42.4230 -42.4230 -42.4227 -42.4227 -6.2378 -6.2378 -6.2112 -6.2112 0.2382 0.2382 0.4012 0.4012 0.5393 0.5393 1.4755 1.4755 1.5975 1.5975 1.8089 1.8089 3.9313 3.9313 7.6500 7.6500 7.8928 7.8928 8.5031 8.5031 k = 0.3056 0.5292-0.0000 ( 15484 PWs) bands (ev): -42.7200 -42.7200 -42.7185 -42.7185 -42.6823 -42.6823 -42.6808 -42.6808 -42.4230 -42.4230 -42.4227 -42.4227 -6.2446 -6.2446 -6.2087 -6.2087 0.2310 0.2310 0.4003 0.4003 0.5710 0.5710 1.4806 1.4806 1.5595 1.5595 1.8434 1.8434 3.9614 3.9614 7.5498 7.5498 7.8910 7.8910 8.5245 8.5245 k = 0.2986 0.5172-0.0000 ( 15475 PWs) bands (ev): -42.7202 -42.7202 -42.7183 -42.7183 -42.6825 -42.6825 -42.6806 -42.6806 -42.4230 -42.4230 -42.4227 -42.4227 -6.2522 -6.2522 -6.2067 -6.2067 0.2266 0.2266 0.3995 0.3995 0.6078 0.6078 1.4676 1.4676 1.5395 1.5395 1.8785 1.8785 3.9993 3.9993 7.4463 7.4463 7.8820 7.8820 8.4562 8.4562 k = 0.2917 0.5052-0.0000 ( 15487 PWs) bands (ev): -42.7204 -42.7204 -42.7181 -42.7181 -42.6827 -42.6827 -42.6805 -42.6805 -42.4230 -42.4230 -42.4227 -42.4227 -6.2607 -6.2607 -6.2052 -6.2052 0.2257 0.2257 0.3998 0.3998 0.6481 0.6481 1.4278 1.4278 1.5467 1.5467 1.9140 1.9140 4.0444 4.0444 7.3420 7.3420 7.8654 7.8654 8.3785 8.3785 k = 0.2847 0.4932-0.0000 ( 15495 PWs) bands (ev): -42.7206 -42.7206 -42.7180 -42.7180 -42.6829 -42.6829 -42.6803 -42.6803 -42.4230 -42.4230 -42.4227 -42.4227 -6.2699 -6.2699 -6.2045 -6.2045 0.2286 0.2286 0.4020 0.4020 0.6911 0.6911 1.3774 1.3774 1.5653 1.5653 1.9499 1.9499 4.0965 4.0965 7.2380 7.2380 7.8415 7.8415 8.3032 8.3032 k = 0.2778 0.4811-0.0000 ( 15525 PWs) bands (ev): -42.7208 -42.7208 -42.7178 -42.7178 -42.6831 -42.6831 -42.6801 -42.6801 -42.4230 -42.4230 -42.4227 -42.4227 -6.2799 -6.2799 -6.2043 -6.2043 0.2358 0.2358 0.4066 0.4066 0.7364 0.7364 1.3230 1.3230 1.5889 1.5889 1.9860 1.9860 4.1549 4.1549 7.1352 7.1352 7.8108 7.8108 8.2312 8.2312 k = 0.2708 0.4691-0.0000 ( 15517 PWs) bands (ev): -42.7210 -42.7210 -42.7176 -42.7176 -42.6833 -42.6833 -42.6799 -42.6799 -42.4230 -42.4230 -42.4227 -42.4227 -6.2907 -6.2907 -6.2048 -6.2048 0.2472 0.2472 0.4139 0.4139 0.7835 0.7835 1.2668 1.2668 1.6157 1.6157 2.0223 2.0223 4.2194 4.2194 7.0339 7.0339 7.7741 7.7741 8.1630 8.1630 k = 0.2639 0.4571-0.0000 ( 15499 PWs) bands (ev): -42.7212 -42.7212 -42.7174 -42.7174 -42.6835 -42.6835 -42.6797 -42.6797 -42.4229 -42.4229 -42.4227 -42.4227 -6.3022 -6.3022 -6.2060 -6.2060 0.2631 0.2631 0.4244 0.4244 0.8320 0.8320 1.2097 1.2097 1.6452 1.6452 2.0586 2.0586 4.2895 4.2895 6.9345 6.9345 7.7322 7.7322 8.0989 8.0989 k = 0.2569 0.4450-0.0000 ( 15503 PWs) bands (ev): -42.7214 -42.7214 -42.7172 -42.7172 -42.6837 -42.6837 -42.6795 -42.6795 -42.4229 -42.4229 -42.4227 -42.4227 -6.3144 -6.3144 -6.2079 -6.2079 0.2834 0.2834 0.4381 0.4381 0.8813 0.8813 1.1528 1.1528 1.6770 1.6770 2.0948 2.0948 4.3650 4.3650 6.8372 6.8372 7.6861 7.6861 8.0389 8.0389 k = 0.2500 0.4330-0.0000 ( 15499 PWs) bands (ev): -42.7217 -42.7217 -42.7171 -42.7171 -42.6839 -42.6839 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3273 -6.3273 -6.2105 -6.2105 0.3083 0.3083 0.4552 0.4552 0.9293 0.9293 1.0985 1.0985 1.7109 1.7109 2.1308 2.1308 4.4454 4.4454 6.7422 6.7422 7.6369 7.6369 7.9834 7.9834 k = 0.2431 0.4210-0.0000 ( 15507 PWs) bands (ev): -42.7219 -42.7219 -42.7169 -42.7169 -42.6841 -42.6841 -42.6791 -42.6791 -42.4229 -42.4229 -42.4226 -42.4226 -6.3409 -6.3409 -6.2137 -6.2137 0.3377 0.3377 0.4759 0.4759 0.9652 0.9652 1.0579 1.0579 1.7467 1.7467 2.1664 2.1664 4.5306 4.5306 6.6496 6.6496 7.5853 7.5853 7.9324 7.9324 k = 0.2361 0.4090-0.0000 ( 15509 PWs) bands (ev): -42.7221 -42.7221 -42.7167 -42.7167 -42.6843 -42.6843 -42.6789 -42.6789 -42.4229 -42.4229 -42.4226 -42.4226 -6.3551 -6.3551 -6.2176 -6.2176 0.3715 0.3715 0.5000 0.5000 0.9500 0.9500 1.0702 1.0702 1.7843 1.7843 2.2017 2.2017 4.6202 4.6202 6.5594 6.5594 7.5321 7.5321 7.8862 7.8862 k = 0.2292 0.3969-0.0000 ( 15517 PWs) bands (ev): -42.7223 -42.7223 -42.7165 -42.7165 -42.6845 -42.6845 -42.6787 -42.6787 -42.4229 -42.4229 -42.4226 -42.4226 -6.3697 -6.3697 -6.2221 -6.2221 0.4098 0.4098 0.5277 0.5277 0.9016 0.9016 1.1179 1.1179 1.8235 1.8235 2.2364 2.2364 4.7141 4.7141 6.4718 6.4718 7.4779 7.4779 7.8447 7.8447 k = 0.2222 0.3849-0.0000 ( 15527 PWs) bands (ev): -42.7226 -42.7226 -42.7164 -42.7164 -42.6847 -42.6847 -42.6785 -42.6785 -42.4228 -42.4228 -42.4226 -42.4226 -6.3849 -6.3849 -6.2272 -6.2272 0.4525 0.4525 0.5584 0.5584 0.8484 0.8484 1.1730 1.1730 1.8641 1.8641 2.2705 2.2705 4.8121 4.8121 6.3868 6.3868 7.4234 7.4234 7.8076 7.8076 k = 0.2153 0.3729-0.0000 ( 15527 PWs) bands (ev): -42.7228 -42.7228 -42.7162 -42.7162 -42.6849 -42.6849 -42.6783 -42.6783 -42.4228 -42.4228 -42.4226 -42.4226 -6.4005 -6.4005 -6.2330 -6.2330 0.4995 0.4995 0.5913 0.5913 0.7963 0.7963 1.2310 1.2310 1.9061 1.9061 2.3039 2.3039 4.9140 4.9140 6.3045 6.3045 7.3690 7.3690 7.7636 7.7636 k = 0.2083 0.3608-0.0000 ( 15533 PWs) bands (ev): -42.7230 -42.7230 -42.7160 -42.7160 -42.6851 -42.6851 -42.6781 -42.6781 -42.4228 -42.4228 -42.4226 -42.4226 -6.4165 -6.4165 -6.2392 -6.2392 0.5507 0.5507 0.6223 0.6223 0.7503 0.7503 1.2908 1.2908 1.9493 1.9493 2.3364 2.3364 5.0197 5.0197 6.2249 6.2249 7.3150 7.3150 7.6861 7.6861 k = 0.2014 0.3488-0.0000 ( 15527 PWs) bands (ev): -42.7233 -42.7233 -42.7159 -42.7159 -42.6853 -42.6853 -42.6780 -42.6780 -42.4228 -42.4228 -42.4225 -42.4225 -6.4327 -6.4327 -6.2460 -6.2460 0.6048 0.6048 0.6342 0.6342 0.7292 0.7292 1.3519 1.3519 1.9936 1.9936 2.3681 2.3681 5.1289 5.1289 6.1480 6.1480 7.2619 7.2619 7.6080 7.6080 k = 0.1944 0.3368-0.0000 ( 15517 PWs) bands (ev): -42.7235 -42.7235 -42.7157 -42.7157 -42.6854 -42.6854 -42.6778 -42.6778 -42.4227 -42.4227 -42.4225 -42.4225 -6.4492 -6.4492 -6.2533 -6.2533 0.6020 0.6020 0.6671 0.6671 0.7530 0.7530 1.4141 1.4141 2.0388 2.0388 2.3987 2.3987 5.2416 5.2416 6.0738 6.0738 7.2099 7.2099 7.5318 7.5318 k = 0.1875 0.3248-0.0000 ( 15527 PWs) bands (ev): -42.7237 -42.7237 -42.7156 -42.7156 -42.6856 -42.6856 -42.6776 -42.6776 -42.4227 -42.4227 -42.4225 -42.4225 -6.4658 -6.4658 -6.2609 -6.2609 0.5573 0.5573 0.7301 0.7301 0.7977 0.7977 1.4772 1.4772 2.0849 2.0849 2.4283 2.4283 5.3577 5.3577 6.0025 6.0025 7.1591 7.1591 7.4576 7.4576 k = 0.1806 0.3127-0.0000 ( 15523 PWs) bands (ev): -42.7239 -42.7239 -42.7154 -42.7154 -42.6858 -42.6858 -42.6774 -42.6774 -42.4227 -42.4227 -42.4225 -42.4225 -6.4826 -6.4826 -6.2690 -6.2690 0.5094 0.5094 0.7973 0.7973 0.8502 0.8502 1.5411 1.5411 2.1316 2.1316 2.4569 2.4569 5.4770 5.4770 5.9340 5.9340 7.1099 7.1099 7.3856 7.3856 k = 0.1736 0.3007-0.0000 ( 15511 PWs) bands (ev): -42.7242 -42.7242 -42.7153 -42.7153 -42.6860 -42.6860 -42.6772 -42.6772 -42.4226 -42.4226 -42.4224 -42.4224 -6.4993 -6.4993 -6.2773 -6.2773 0.4615 0.4615 0.8682 0.8682 0.9078 0.9078 1.6057 1.6057 2.1788 2.1788 2.4844 2.4844 5.5994 5.5994 5.8683 5.8683 7.0624 7.0624 7.3156 7.3156 k = 0.1667 0.2887-0.0000 ( 15517 PWs) bands (ev): -42.7244 -42.7244 -42.7151 -42.7151 -42.6862 -42.6862 -42.6771 -42.6771 -42.4226 -42.4226 -42.4224 -42.4224 -6.5160 -6.5160 -6.2859 -6.2859 0.4144 0.4144 0.9427 0.9427 0.9694 0.9694 1.6709 1.6709 2.2262 2.2262 2.5108 2.5108 5.7245 5.7245 5.8057 5.8057 7.0168 7.0168 7.2477 7.2477 k = 0.1597 0.2766-0.0000 ( 15513 PWs) bands (ev): -42.7246 -42.7246 -42.7150 -42.7150 -42.6864 -42.6864 -42.6769 -42.6769 -42.4226 -42.4226 -42.4224 -42.4224 -6.5326 -6.5326 -6.2947 -6.2947 0.3686 0.3686 1.0204 1.0204 1.0348 1.0348 1.7364 1.7364 2.2737 2.2737 2.5362 2.5362 5.7446 5.7446 5.8538 5.8538 6.9731 6.9731 7.1818 7.1818 k = 0.1528 0.2646-0.0000 ( 15495 PWs) bands (ev): -42.7248 -42.7248 -42.7149 -42.7149 -42.6865 -42.6865 -42.6767 -42.6767 -42.4225 -42.4225 -42.4223 -42.4223 -6.5490 -6.5490 -6.3036 -6.3036 0.3243 0.3243 1.1006 1.1006 1.1043 1.1043 1.8022 1.8022 2.3209 2.3209 2.5608 2.5608 5.6874 5.6874 5.9848 5.9848 6.9315 6.9315 7.1179 7.1179 k = 0.1458 0.2526-0.0000 ( 15507 PWs) bands (ev): -42.7250 -42.7250 -42.7148 -42.7148 -42.6867 -42.6867 -42.6766 -42.6766 -42.4225 -42.4225 -42.4223 -42.4223 -6.5651 -6.5651 -6.3127 -6.3127 0.2816 0.2816 1.1748 1.1748 1.1858 1.1858 1.8680 1.8680 2.3675 2.3675 2.5846 2.5846 5.6327 5.6327 6.1187 6.1187 6.8921 6.8921 7.0559 7.0559 k = 0.1389 0.2406-0.0000 ( 15513 PWs) bands (ev): -42.7252 -42.7252 -42.7146 -42.7146 -42.6868 -42.6868 -42.6764 -42.6764 -42.4225 -42.4225 -42.4223 -42.4223 -6.5809 -6.5809 -6.3217 -6.3217 0.2406 0.2406 1.2496 1.2496 1.2723 1.2723 1.9338 1.9338 2.4129 2.4129 2.6081 2.6081 5.5805 5.5805 6.2551 6.2551 6.8550 6.8550 6.9958 6.9958 k = 0.1319 0.2285-0.0000 ( 15537 PWs) bands (ev): -42.7254 -42.7254 -42.7145 -42.7145 -42.6870 -42.6870 -42.6763 -42.6763 -42.4225 -42.4225 -42.4223 -42.4223 -6.5964 -6.5964 -6.3307 -6.3307 0.2014 0.2014 1.3268 1.3268 1.3614 1.3614 1.9994 1.9994 2.4567 2.4567 2.6317 2.6317 5.5308 5.5308 6.3940 6.3940 6.8203 6.8203 6.9375 6.9375 k = 0.1250 0.2165-0.0000 ( 15545 PWs) bands (ev): -42.7256 -42.7256 -42.7144 -42.7144 -42.6872 -42.6872 -42.6762 -42.6762 -42.4224 -42.4224 -42.4223 -42.4223 -6.6114 -6.6114 -6.3397 -6.3397 0.1640 0.1640 1.4064 1.4064 1.4525 1.4525 2.0645 2.0645 2.4980 2.4980 2.6560 2.6560 5.4835 5.4835 6.5351 6.5351 6.7881 6.7881 6.8812 6.8812 k = 0.1181 0.2045-0.0000 ( 15531 PWs) bands (ev): -42.7258 -42.7258 -42.7143 -42.7143 -42.6873 -42.6873 -42.6760 -42.6760 -42.4224 -42.4224 -42.4222 -42.4222 -6.6260 -6.6260 -6.3485 -6.3485 0.1284 0.1284 1.4880 1.4880 1.5455 1.5455 2.1290 2.1290 2.5358 2.5358 2.6818 2.6818 5.4383 5.4383 6.6777 6.6777 6.7587 6.7587 6.8273 6.8273 k = 0.1111 0.1925-0.0000 ( 15537 PWs) bands (ev): -42.7259 -42.7259 -42.7142 -42.7142 -42.6874 -42.6874 -42.6759 -42.6759 -42.4224 -42.4224 -42.4222 -42.4222 -6.6400 -6.6400 -6.3571 -6.3571 0.0947 0.0947 1.5712 1.5712 1.6398 1.6398 2.1927 2.1927 2.5693 2.5693 2.7098 2.7098 5.3950 5.3950 6.7307 6.7307 6.7704 6.7704 6.8282 6.8282 k = 0.1042 0.1804-0.0000 ( 15541 PWs) bands (ev): -42.7261 -42.7261 -42.7141 -42.7141 -42.6875 -42.6875 -42.6758 -42.6758 -42.4224 -42.4224 -42.4222 -42.4222 -6.6534 -6.6534 -6.3654 -6.3654 0.0630 0.0630 1.6556 1.6556 1.7349 1.7349 2.2555 2.2555 2.5980 2.5980 2.7405 2.7405 5.3534 5.3534 6.7059 6.7059 6.7228 6.7228 6.9729 6.9729 k = 0.0972 0.1684-0.0000 ( 15545 PWs) bands (ev): -42.7263 -42.7263 -42.7141 -42.7141 -42.6877 -42.6877 -42.6757 -42.6757 -42.4223 -42.4223 -42.4222 -42.4222 -6.6661 -6.6661 -6.3735 -6.3735 0.0332 0.0332 1.7408 1.7408 1.8303 1.8303 2.3170 2.3170 2.6223 2.6223 2.7734 2.7734 5.3129 5.3129 6.6716 6.6716 6.6873 6.6873 7.1213 7.1213 k = 0.0903 0.1564-0.0000 ( 15545 PWs) bands (ev): -42.7264 -42.7264 -42.7140 -42.7140 -42.6878 -42.6878 -42.6756 -42.6756 -42.4223 -42.4223 -42.4221 -42.4221 -6.6782 -6.6782 -6.3812 -6.3812 0.0054 0.0054 1.8262 1.8262 1.9252 1.9252 2.3770 2.3770 2.6430 2.6430 2.8077 2.8077 5.2733 5.2733 6.6267 6.6267 6.6677 6.6677 7.2702 7.2702 k = 0.0833 0.1443-0.0000 ( 15557 PWs) bands (ev): -42.7265 -42.7265 -42.7139 -42.7139 -42.6879 -42.6879 -42.6755 -42.6755 -42.4223 -42.4223 -42.4221 -42.4221 -6.6895 -6.6895 -6.3885 -6.3885 -0.0205 -0.0205 1.9113 1.9113 2.0188 2.0188 2.4352 2.4352 2.6615 2.6615 2.8423 2.8423 5.2341 5.2341 6.5841 6.5841 6.6518 6.6518 7.2346 7.2346 k = 0.0764 0.1323-0.0000 ( 15547 PWs) bands (ev): -42.7267 -42.7267 -42.7138 -42.7138 -42.6880 -42.6880 -42.6754 -42.6754 -42.4222 -42.4222 -42.4221 -42.4221 -6.7001 -6.7001 -6.3954 -6.3954 -0.0443 -0.0443 1.9952 1.9952 2.1101 2.1101 2.4908 2.4908 2.6793 2.6793 2.8762 2.8762 5.1948 5.1948 6.5451 6.5451 6.6389 6.6389 7.1745 7.1745 k = 0.0694 0.1203-0.0000 ( 15547 PWs) bands (ev): -42.7268 -42.7268 -42.7138 -42.7138 -42.6881 -42.6881 -42.6753 -42.6753 -42.4222 -42.4222 -42.4221 -42.4221 -6.7099 -6.7099 -6.4018 -6.4018 -0.0661 -0.0661 2.0772 2.0772 2.1979 2.1979 2.5424 2.5424 2.6986 2.6986 2.9087 2.9087 5.1550 5.1550 6.5107 6.5107 6.6289 6.6289 7.1178 7.1178 k = 0.0625 0.1083-0.0000 ( 15543 PWs) bands (ev): -42.7269 -42.7269 -42.7137 -42.7137 -42.6882 -42.6882 -42.6752 -42.6752 -42.4222 -42.4222 -42.4221 -42.4221 -6.7188 -6.7188 -6.4078 -6.4078 -0.0859 -0.0859 2.1563 2.1563 2.2810 2.2810 2.5872 2.5872 2.7228 2.7228 2.9392 2.9392 5.1145 5.1145 6.4819 6.4819 6.6217 6.6217 7.0646 7.0646 k = 0.0556 0.0962-0.0000 ( 15537 PWs) bands (ev): -42.7270 -42.7270 -42.7137 -42.7137 -42.6882 -42.6882 -42.6751 -42.6751 -42.4222 -42.4222 -42.4221 -42.4221 -6.7269 -6.7269 -6.4132 -6.4132 -0.1036 -0.1036 2.2313 2.2313 2.3580 2.3580 2.6217 2.6217 2.7554 2.7554 2.9675 2.9675 5.0731 5.0731 6.4596 6.4596 6.6174 6.6174 7.0144 7.0144 k = 0.0486 0.0842-0.0000 ( 15531 PWs) bands (ev): -42.7271 -42.7271 -42.7136 -42.7136 -42.6883 -42.6883 -42.6751 -42.6751 -42.4222 -42.4222 -42.4220 -42.4220 -6.7341 -6.7341 -6.4180 -6.4180 -0.1192 -0.1192 2.3009 2.3009 2.4280 2.4280 2.6452 2.6452 2.7970 2.7970 2.9932 2.9932 5.0311 5.0311 6.4448 6.4448 6.6156 6.6156 6.9663 6.9663 k = 0.0417 0.0722-0.0000 ( 15543 PWs) bands (ev): -42.7272 -42.7272 -42.7136 -42.7136 -42.6883 -42.6883 -42.6750 -42.6750 -42.4222 -42.4222 -42.4220 -42.4220 -6.7404 -6.7404 -6.4222 -6.4222 -0.1328 -0.1328 2.3637 2.3637 2.4904 2.4904 2.6605 2.6605 2.8434 2.8434 3.0168 3.0168 4.9893 4.9893 6.4382 6.4382 6.6162 6.6162 6.9192 6.9192 k = 0.0347 0.0601-0.0000 ( 15561 PWs) bands (ev): -42.7272 -42.7272 -42.7136 -42.7136 -42.6884 -42.6884 -42.6750 -42.6750 -42.4222 -42.4222 -42.4220 -42.4220 -6.7457 -6.7457 -6.4258 -6.4258 -0.1443 -0.1443 2.4182 2.4182 2.5448 2.5448 2.6710 2.6710 2.8892 2.8892 3.0387 3.0387 4.9489 4.9489 6.4403 6.4403 6.6186 6.6186 6.8620 6.8620 k = 0.0278 0.0481-0.0000 ( 15565 PWs) bands (ev): -42.7273 -42.7273 -42.7136 -42.7136 -42.6884 -42.6884 -42.6750 -42.6750 -42.4221 -42.4221 -42.4220 -42.4220 -6.7501 -6.7501 -6.4288 -6.4288 -0.1537 -0.1537 2.4634 2.4634 2.5908 2.5908 2.6787 2.6787 2.9291 2.9291 3.0599 3.0599 4.9115 4.9115 6.4511 6.4511 6.6222 6.6222 6.7838 6.7838 k = 0.0208 0.0361-0.0000 ( 15557 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7536 -6.7536 -6.4312 -6.4312 -0.1610 -0.1610 2.4986 2.4986 2.6273 2.6273 2.6853 2.6853 2.9595 2.9595 3.0808 3.0808 4.8790 4.8790 6.4702 6.4702 6.6259 6.6259 6.7222 6.7222 k = 0.0139 0.0241-0.0000 ( 15553 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7560 -6.7560 -6.4329 -6.4329 -0.1663 -0.1663 2.5235 2.5235 2.6524 2.6524 2.6923 2.6923 2.9792 2.9792 3.0998 3.0998 4.8538 4.8538 6.4961 6.4961 6.6280 6.6280 6.6790 6.6790 k = 0.0069 0.0120-0.0000 ( 15561 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7575 -6.7575 -6.4339 -6.4339 -0.1694 -0.1694 2.5383 2.5383 2.6651 2.6651 2.6994 2.6994 2.9896 2.9896 3.1133 3.1133 4.8378 4.8378 6.5242 6.5242 6.6255 6.6255 6.6568 6.6568 k = 0.0000 0.0000 0.0000 ( 15569 PWs) bands (ev): -42.7274 -42.7274 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7580 -6.7580 -6.4342 -6.4342 -0.1704 -0.1704 2.5432 2.5432 2.6686 2.6686 2.7026 2.7026 2.9928 2.9928 3.1182 3.1182 4.8322 4.8322 6.5394 6.5394 6.6225 6.6225 6.6497 6.6497 k = 0.0000 0.0000 0.0000 ( 15569 PWs) bands (ev): -42.7274 -42.7274 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7580 -6.7580 -6.4342 -6.4342 -0.1704 -0.1704 2.5432 2.5432 2.6686 2.6686 2.7026 2.7026 2.9928 2.9928 3.1182 3.1182 4.8322 4.8322 6.5394 6.5394 6.6225 6.6225 6.6497 6.6497 k = 0.0000 0.0000 0.0134 ( 15551 PWs) bands (ev): -42.7273 -42.7273 -42.7135 -42.7135 -42.6885 -42.6885 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7576 -6.7576 -6.4347 -6.4347 -0.1679 -0.1679 2.5438 2.5438 2.6600 2.6600 2.7032 2.7032 2.9904 2.9904 3.1177 3.1177 4.8431 4.8431 6.5417 6.5417 6.6213 6.6213 6.6489 6.6489 k = 0.0000 0.0000 0.0267 ( 15551 PWs) bands (ev): -42.7273 -42.7273 -42.7136 -42.7136 -42.6884 -42.6884 -42.6749 -42.6749 -42.4221 -42.4221 -42.4220 -42.4220 -6.7564 -6.7564 -6.4363 -6.4363 -0.1604 -0.1604 2.5454 2.5454 2.6342 2.6342 2.7048 2.7048 2.9838 2.9838 3.1159 3.1159 4.8749 4.8749 6.5488 6.5488 6.6179 6.6179 6.6464 6.6464 k = 0.0000 0.0000 0.0401 ( 15551 PWs) bands (ev): -42.7272 -42.7272 -42.7138 -42.7138 -42.6882 -42.6882 -42.6750 -42.6750 -42.4221 -42.4221 -42.4220 -42.4220 -6.7544 -6.7544 -6.4388 -6.4388 -0.1480 -0.1480 2.5481 2.5481 2.5916 2.5916 2.7076 2.7076 2.9744 2.9744 3.1130 3.1130 4.9255 4.9255 6.5607 6.5607 6.6123 6.6123 6.6425 6.6426 k = 0.0000 0.0000 0.0535 ( 15521 PWs) bands (ev): -42.7271 -42.7271 -42.7140 -42.7140 -42.6880 -42.6880 -42.6751 -42.6751 -42.4221 -42.4221 -42.4220 -42.4220 -6.7516 -6.7516 -6.4423 -6.4423 -0.1306 -0.1306 2.5336 2.5336 2.5518 2.5518 2.7115 2.7115 2.9638 2.9638 3.1090 3.1090 4.9918 4.9918 6.5778 6.5778 6.6045 6.6045 6.6373 6.6373 k = 0.0000 0.0000 0.0669 ( 15527 PWs) bands (ev): -42.7270 -42.7270 -42.7142 -42.7142 -42.6878 -42.6878 -42.6752 -42.6752 -42.4221 -42.4221 -42.4220 -42.4220 -6.7480 -6.7480 -6.4468 -6.4468 -0.1082 -0.1082 2.4621 2.4621 2.5566 2.5566 2.7165 2.7165 2.9529 2.9529 3.1038 3.1038 5.0704 5.0704 6.5946 6.5946 6.6004 6.6004 6.6312 6.6312 k = 0.0000 0.0000 0.0802 ( 15527 PWs) bands (ev): -42.7268 -42.7268 -42.7145 -42.7145 -42.6875 -42.6875 -42.6754 -42.6754 -42.4221 -42.4221 -42.4220 -42.4220 -6.7437 -6.7437 -6.4522 -6.4522 -0.0810 -0.0810 2.3797 2.3797 2.5624 2.5624 2.7225 2.7225 2.9419 2.9419 3.0975 3.0975 5.1580 5.1580 6.5827 6.5827 6.6231 6.6231 6.6274 6.6274 k = 0.0000 0.0000 0.0936 ( 15534 PWs) bands (ev): -42.7267 -42.7267 -42.7148 -42.7148 -42.6872 -42.6872 -42.6756 -42.6756 -42.4221 -42.4221 -42.4220 -42.4220 -6.7386 -6.7386 -6.4586 -6.4586 -0.0490 -0.0490 2.2887 2.2887 2.5692 2.5692 2.7295 2.7295 2.9310 2.9310 3.0902 3.0902 5.2512 5.2512 6.5688 6.5688 6.6170 6.6170 6.6199 6.6199 k = 0.0000 0.0000 0.1070 ( 15546 PWs) bands (ev): -42.7264 -42.7264 -42.7152 -42.7152 -42.6868 -42.6868 -42.6758 -42.6758 -42.4221 -42.4221 -42.4220 -42.4220 -6.7327 -6.7327 -6.4657 -6.4657 -0.0122 -0.0122 2.1914 2.1914 2.5769 2.5769 2.7376 2.7376 2.9198 2.9198 3.0818 3.0818 5.3472 5.3472 6.5531 6.5531 6.6100 6.6100 6.6125 6.6125 k = 0.0000 0.0000 0.1204 ( 15522 PWs) bands (ev): -42.7262 -42.7262 -42.7156 -42.7156 -42.6864 -42.6864 -42.6760 -42.6760 -42.4221 -42.4221 -42.4220 -42.4220 -6.7262 -6.7262 -6.4736 -6.4736 0.0293 0.0293 2.0897 2.0897 2.5856 2.5856 2.7466 2.7466 2.9085 2.9085 3.0725 3.0725 5.4433 5.4433 6.5355 6.5355 6.6035 6.6035 6.6055 6.6055 k = 0.0000 0.0000 0.1337 ( 15522 PWs) bands (ev): -42.7259 -42.7259 -42.7161 -42.7161 -42.6859 -42.6859 -42.6763 -42.6763 -42.4221 -42.4221 -42.4220 -42.4220 -6.7190 -6.7190 -6.4823 -6.4823 0.0754 0.0754 1.9849 1.9849 2.5951 2.5951 2.7565 2.7565 2.8967 2.8967 3.0622 3.0622 5.5372 5.5372 6.5163 6.5163 6.5977 6.5977 6.5993 6.5993 k = 0.0000 0.0000 0.1471 ( 15528 PWs) bands (ev): -42.7257 -42.7257 -42.7165 -42.7165 -42.6855 -42.6855 -42.6765 -42.6765 -42.4221 -42.4221 -42.4220 -42.4220 -6.7111 -6.7111 -6.4916 -6.4916 0.1259 0.1259 1.8783 1.8783 2.6054 2.6054 2.7672 2.7672 2.8845 2.8845 3.0511 3.0511 5.6270 5.6270 6.4956 6.4956 6.5930 6.5930 6.5943 6.5943 k = 0.0000 0.0000 0.1605 ( 15540 PWs) bands (ev): -42.7253 -42.7253 -42.7170 -42.7170 -42.6850 -42.6850 -42.6769 -42.6769 -42.4221 -42.4221 -42.4220 -42.4220 -6.7027 -6.7027 -6.5015 -6.5015 0.1810 0.1810 1.7708 1.7708 2.6166 2.6166 2.7788 2.7788 2.8718 2.8718 3.0392 3.0392 5.7112 5.7112 6.4733 6.4733 6.5896 6.5896 6.5906 6.5906 k = 0.0000 0.0000 0.1739 ( 15528 PWs) bands (ev): -42.7250 -42.7250 -42.7175 -42.7175 -42.6845 -42.6845 -42.6772 -42.6772 -42.4221 -42.4221 -42.4220 -42.4220 -6.6936 -6.6936 -6.5119 -6.5119 0.2403 0.2403 1.6633 1.6633 2.6284 2.6284 2.7911 2.7911 2.8586 2.8586 3.0265 3.0265 5.7891 5.7891 6.4496 6.4496 6.5878 6.5878 6.5884 6.5884 k = 0.0000 0.0000 0.1872 ( 15522 PWs) bands (ev): -42.7246 -42.7246 -42.7180 -42.7180 -42.6840 -42.6840 -42.6775 -42.6775 -42.4221 -42.4221 -42.4220 -42.4220 -6.6840 -6.6840 -6.5228 -6.5228 0.3039 0.3039 1.5562 1.5562 2.6410 2.6410 2.8041 2.8041 2.8450 2.8450 3.0131 3.0131 5.8602 5.8602 6.4245 6.4245 6.5876 6.5876 6.5881 6.5881 k = 0.0000 0.0000 0.2006 ( 15558 PWs) bands (ev): -42.7243 -42.7243 -42.7185 -42.7185 -42.6835 -42.6835 -42.6779 -42.6779 -42.4221 -42.4221 -42.4220 -42.4220 -6.6739 -6.6739 -6.5341 -6.5341 0.3715 0.3715 1.4502 1.4502 2.6541 2.6541 2.8177 2.8177 2.8310 2.8310 2.9992 2.9992 5.9248 5.9248 6.3981 6.3981 6.5894 6.5894 6.5897 6.5897 k = 0.0000 0.0000 0.2140 ( 15552 PWs) bands (ev): -42.7239 -42.7239 -42.7191 -42.7191 -42.6830 -42.6830 -42.6783 -42.6783 -42.4221 -42.4221 -42.4220 -42.4220 -6.6634 -6.6634 -6.5457 -6.5457 0.4432 0.4432 1.3457 1.3457 2.6677 2.6677 2.8166 2.8166 2.8319 2.8319 2.9847 2.9847 5.9833 5.9833 6.3703 6.3703 6.5930 6.5930 6.5933 6.5933 k = 0.0000 0.0000 0.2274 ( 15570 PWs) bands (ev): -42.7235 -42.7235 -42.7196 -42.7196 -42.6825 -42.6825 -42.6787 -42.6787 -42.4221 -42.4221 -42.4220 -42.4220 -6.6525 -6.6525 -6.5575 -6.5575 0.5187 0.5187 1.2430 1.2430 2.6818 2.6818 2.8019 2.8019 2.8465 2.8465 2.9699 2.9699 6.0363 6.0363 6.3412 6.3412 6.5988 6.5988 6.5990 6.5990 k = 0.0000 0.0000 0.2407 ( 15594 PWs) bands (ev): -42.7230 -42.7230 -42.7201 -42.7201 -42.6820 -42.6820 -42.6791 -42.6791 -42.4221 -42.4221 -42.4221 -42.4221 -6.6412 -6.6412 -6.5695 -6.5695 0.5979 0.5979 1.1425 1.1425 2.6963 2.6963 2.7869 2.7869 2.8615 2.8615 2.9546 2.9546 6.0847 6.0847 6.3106 6.3106 6.6065 6.6065 6.6068 6.6068 k = 0.0000 0.0000 0.2541 ( 15624 PWs) bands (ev): -42.7226 -42.7226 -42.7206 -42.7206 -42.6815 -42.6815 -42.6796 -42.6796 -42.4221 -42.4221 -42.4221 -42.4221 -6.6296 -6.6296 -6.5816 -6.5816 0.6807 0.6807 1.0444 1.0444 2.7111 2.7111 2.7718 2.7718 2.8768 2.8768 2.9392 2.9392 6.1291 6.1291 6.2784 6.2784 6.6164 6.6164 6.6167 6.6167 k = 0.0000 0.0000 0.2675 ( 15636 PWs) bands (ev): -42.7221 -42.7221 -42.7211 -42.7211 -42.6810 -42.6810 -42.6801 -42.6801 -42.4221 -42.4221 -42.4221 -42.4221 -6.6178 -6.6178 -6.5937 -6.5937 0.7669 0.7669 0.9489 0.9489 2.7261 2.7261 2.7566 2.7566 2.8923 2.8923 2.9236 2.9236 6.1702 6.1702 6.2445 6.2445 6.6282 6.6282 6.6287 6.6287 k = 0.0000 0.0000 0.2809 ( 15660 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6058 -6.6058 -6.6058 -6.6058 0.8564 0.8564 0.8564 0.8564 2.7413 2.7413 2.7413 2.7413 2.9079 2.9079 2.9079 2.9079 6.2085 6.2085 6.2085 6.2085 6.6420 6.6420 6.6420 6.6420 k = 0.0000 0.0000 0.2809 ( 15660 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6058 -6.6058 -6.6058 -6.6058 0.8564 0.8564 0.8564 0.8564 2.7413 2.7413 2.7413 2.7413 2.9079 2.9079 2.9079 2.9079 6.2085 6.2085 6.2085 6.2085 6.6420 6.6420 6.6420 6.6420 k = 0.0119 0.0069 0.2809 ( 15628 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6054 -6.6054 -6.6054 -6.6054 0.8569 0.8569 0.8569 0.8569 2.7370 2.7370 2.7370 2.7370 2.9034 2.9034 2.9034 2.9034 6.2131 6.2131 6.2131 6.2131 6.6421 6.6421 6.6421 6.6421 k = 0.0238 0.0137 0.2809 ( 15584 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6042 -6.6042 -6.6042 -6.6042 0.8584 0.8584 0.8584 0.8584 2.7240 2.7240 2.7240 2.7240 2.8901 2.8901 2.8901 2.8901 6.2263 6.2263 6.2263 6.2263 6.6420 6.6420 6.6420 6.6420 k = 0.0357 0.0206 0.2809 ( 15568 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6021 -6.6021 -6.6021 -6.6021 0.8610 0.8610 0.8610 0.8610 2.7019 2.7019 2.7019 2.7019 2.8692 2.8692 2.8692 2.8692 6.2460 6.2460 6.2460 6.2460 6.6434 6.6434 6.6434 6.6434 k = 0.0476 0.0275 0.2809 ( 15544 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.5992 -6.5992 -6.5992 -6.5992 0.8645 0.8645 0.8645 0.8645 2.6703 2.6703 2.6703 2.6703 2.8422 2.8422 2.8422 2.8422 6.2687 6.2687 6.2687 6.2687 6.6488 6.6488 6.6488 6.6488 k = 0.0595 0.0344 0.2809 ( 15538 PWs) bands (ev): -42.7215 -42.7215 -42.7215 -42.7215 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.5955 -6.5955 -6.5955 -6.5955 0.8688 0.8688 0.8688 0.8688 2.6290 2.6290 2.6290 2.6290 2.8108 2.8108 2.8108 2.8108 6.2897 6.2897 6.2897 6.2897 6.6619 6.6619 6.6619 6.6619 k = 0.0714 0.0412 0.2809 ( 15526 PWs) bands (ev): -42.7215 -42.7215 -42.7215 -42.7215 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5910 -6.5910 -6.5910 -6.5910 0.8740 0.8740 0.8740 0.8740 2.5783 2.5783 2.5783 2.5783 2.7764 2.7764 2.7764 2.7764 6.3038 6.3038 6.3038 6.3038 6.6864 6.6864 6.6864 6.6864 k = 0.0833 0.0481 0.2809 ( 15528 PWs) bands (ev): -42.7215 -42.7215 -42.7215 -42.7215 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5857 -6.5857 -6.5857 -6.5857 0.8798 0.8798 0.8798 0.8798 2.5190 2.5190 2.5190 2.5190 2.7399 2.7399 2.7399 2.7399 6.3075 6.3075 6.3075 6.3075 6.7244 6.7244 6.7244 6.7244 k = 0.0952 0.0550 0.2809 ( 15532 PWs) bands (ev): -42.7214 -42.7214 -42.7214 -42.7214 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5797 -6.5797 -6.5797 -6.5797 0.8862 0.8862 0.8862 0.8862 2.4526 2.4526 2.4526 2.4526 2.7017 2.7017 2.7017 2.7017 6.2999 6.2999 6.2999 6.2999 6.7749 6.7749 6.7749 6.7749 k = 0.1071 0.0619 0.2809 ( 15524 PWs) bands (ev): -42.7214 -42.7214 -42.7214 -42.7214 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5729 -6.5729 -6.5729 -6.5729 0.8929 0.8929 0.8929 0.8929 2.3807 2.3807 2.3807 2.3807 2.6621 2.6621 2.6621 2.6621 6.2826 6.2826 6.2826 6.2826 6.8346 6.8346 6.8346 6.8346 k = 0.1190 0.0687 0.2809 ( 15520 PWs) bands (ev): -42.7213 -42.7213 -42.7213 -42.7213 -42.6806 -42.6806 -42.6806 -42.6806 -42.4222 -42.4222 -42.4222 -42.4222 -6.5654 -6.5654 -6.5654 -6.5654 0.8997 0.8997 0.8997 0.8997 2.3048 2.3048 2.3048 2.3048 2.6211 2.6211 2.6211 2.6211 6.2575 6.2575 6.2575 6.2575 6.8998 6.8998 6.8998 6.8998 k = 0.1310 0.0756 0.2809 ( 15528 PWs) bands (ev): -42.7213 -42.7213 -42.7213 -42.7213 -42.6806 -42.6806 -42.6806 -42.6806 -42.4222 -42.4222 -42.4222 -42.4222 -6.5573 -6.5573 -6.5573 -6.5573 0.9063 0.9063 0.9063 0.9063 2.2264 2.2264 2.2264 2.2264 2.5790 2.5790 2.5790 2.5790 6.2265 6.2265 6.2265 6.2265 6.9670 6.9670 6.9670 6.9670 k = 0.1429 0.0825 0.2809 ( 15516 PWs) bands (ev): -42.7212 -42.7212 -42.7212 -42.7212 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5485 -6.5485 -6.5485 -6.5485 0.9122 0.9122 0.9122 0.9122 2.1471 2.1471 2.1471 2.1471 2.5359 2.5359 2.5359 2.5359 6.1906 6.1906 6.1906 6.1906 7.0333 7.0333 7.0333 7.0333 k = 0.1548 0.0894 0.2809 ( 15520 PWs) bands (ev): -42.7212 -42.7212 -42.7212 -42.7212 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5391 -6.5391 -6.5391 -6.5391 0.9170 0.9170 0.9170 0.9170 2.0681 2.0681 2.0681 2.0681 2.4922 2.4922 2.4922 2.4922 6.1510 6.1510 6.1510 6.1510 7.0961 7.0961 7.0961 7.0961 k = 0.1667 0.0962 0.2809 ( 15522 PWs) bands (ev): -42.7211 -42.7211 -42.7211 -42.7211 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5292 -6.5292 -6.5292 -6.5292 0.9200 0.9200 0.9200 0.9200 1.9910 1.9910 1.9910 1.9910 2.4480 2.4480 2.4480 2.4480 6.1080 6.1080 6.1080 6.1080 7.1537 7.1537 7.1537 7.1537 k = 0.1786 0.1031 0.2809 ( 15520 PWs) bands (ev): -42.7210 -42.7210 -42.7210 -42.7210 -42.6808 -42.6808 -42.6808 -42.6808 -42.4223 -42.4223 -42.4223 -42.4223 -6.5187 -6.5187 -6.5187 -6.5187 0.9204 0.9204 0.9204 0.9204 1.9171 1.9171 1.9171 1.9171 2.4037 2.4037 2.4037 2.4037 6.0623 6.0623 6.0623 6.0623 7.2045 7.2045 7.2045 7.2045 k = 0.1905 0.1100 0.2809 ( 15518 PWs) bands (ev): -42.7210 -42.7210 -42.7210 -42.7210 -42.6808 -42.6808 -42.6808 -42.6808 -42.4223 -42.4223 -42.4223 -42.4223 -6.5077 -6.5077 -6.5077 -6.5077 0.9173 0.9173 0.9173 0.9173 1.8479 1.8479 1.8479 1.8479 2.3593 2.3593 2.3593 2.3593 6.0141 6.0141 6.0141 6.0141 7.2476 7.2476 7.2476 7.2476 k = 0.2024 0.1168 0.2809 ( 15526 PWs) bands (ev): -42.7209 -42.7209 -42.7209 -42.7209 -42.6808 -42.6808 -42.6808 -42.6808 -42.4223 -42.4223 -42.4223 -42.4223 -6.4964 -6.4964 -6.4964 -6.4964 0.9096 0.9096 0.9096 0.9096 1.7850 1.7850 1.7850 1.7850 2.3153 2.3153 2.3153 2.3153 5.9637 5.9637 5.9637 5.9637 7.2824 7.2824 7.2824 7.2824 k = 0.2143 0.1237 0.2809 ( 15528 PWs) bands (ev): -42.7208 -42.7208 -42.7208 -42.7208 -42.6809 -42.6809 -42.6809 -42.6809 -42.4223 -42.4223 -42.4223 -42.4223 -6.4847 -6.4847 -6.4847 -6.4847 0.8961 0.8961 0.8961 0.8961 1.7298 1.7298 1.7298 1.7298 2.2718 2.2718 2.2718 2.2718 5.9112 5.9112 5.9112 5.9112 7.3091 7.3091 7.3091 7.3091 k = 0.2262 0.1306 0.2809 ( 15532 PWs) bands (ev): -42.7207 -42.7207 -42.7207 -42.7207 -42.6809 -42.6809 -42.6809 -42.6809 -42.4224 -42.4224 -42.4224 -42.4224 -6.4726 -6.4726 -6.4726 -6.4726 0.8760 0.8760 0.8760 0.8760 1.6836 1.6836 1.6836 1.6836 2.2289 2.2289 2.2289 2.2289 5.8571 5.8571 5.8571 5.8571 7.3278 7.3278 7.3278 7.3278 k = 0.2381 0.1375 0.2809 ( 15520 PWs) bands (ev): -42.7206 -42.7206 -42.7206 -42.7206 -42.6809 -42.6809 -42.6809 -42.6809 -42.4224 -42.4224 -42.4224 -42.4224 -6.4604 -6.4604 -6.4604 -6.4604 0.8487 0.8487 0.8487 0.8487 1.6472 1.6472 1.6472 1.6472 2.1870 2.1870 2.1870 2.1870 5.8013 5.8013 5.8013 5.8013 7.3391 7.3391 7.3391 7.3391 k = 0.2500 0.1443 0.2809 ( 15508 PWs) bands (ev): -42.7206 -42.7206 -42.7206 -42.7206 -42.6810 -42.6810 -42.6810 -42.6810 -42.4224 -42.4224 -42.4224 -42.4224 -6.4479 -6.4479 -6.4479 -6.4479 0.8143 0.8143 0.8143 0.8143 1.6208 1.6208 1.6208 1.6208 2.1461 2.1461 2.1461 2.1461 5.7442 5.7442 5.7442 5.7442 7.3439 7.3439 7.3439 7.3439 k = 0.2619 0.1512 0.2809 ( 15516 PWs) bands (ev): -42.7205 -42.7205 -42.7205 -42.7205 -42.6810 -42.6810 -42.6810 -42.6810 -42.4224 -42.4224 -42.4224 -42.4224 -6.4353 -6.4353 -6.4353 -6.4353 0.7734 0.7734 0.7734 0.7734 1.6037 1.6037 1.6037 1.6037 2.1065 2.1065 2.1065 2.1065 5.6861 5.6861 5.6861 5.6861 7.3430 7.3430 7.3430 7.3430 k = 0.2738 0.1581 0.2809 ( 15496 PWs) bands (ev): -42.7204 -42.7204 -42.7204 -42.7204 -42.6810 -42.6810 -42.6810 -42.6810 -42.4225 -42.4225 -42.4225 -42.4225 -6.4227 -6.4227 -6.4227 -6.4227 0.7273 0.7273 0.7273 0.7273 1.5951 1.5951 1.5951 1.5951 2.0683 2.0683 2.0683 2.0683 5.6271 5.6271 5.6271 5.6271 7.3376 7.3376 7.3376 7.3376 k = 0.2857 0.1650 0.2809 ( 15486 PWs) bands (ev): -42.7203 -42.7203 -42.7203 -42.7203 -42.6811 -42.6811 -42.6811 -42.6811 -42.4225 -42.4225 -42.4225 -42.4225 -6.4101 -6.4101 -6.4101 -6.4101 0.6772 0.6772 0.6772 0.6772 1.5936 1.5936 1.5936 1.5936 2.0317 2.0317 2.0317 2.0317 5.5677 5.5677 5.5677 5.5677 7.3285 7.3285 7.3285 7.3285 k = 0.2976 0.1718 0.2809 ( 15482 PWs) bands (ev): -42.7202 -42.7202 -42.7202 -42.7202 -42.6811 -42.6811 -42.6811 -42.6811 -42.4225 -42.4225 -42.4225 -42.4225 -6.3976 -6.3976 -6.3976 -6.3976 0.6246 0.6246 0.6246 0.6246 1.5978 1.5978 1.5978 1.5978 1.9967 1.9967 1.9967 1.9967 5.5080 5.5080 5.5080 5.5080 7.3167 7.3167 7.3167 7.3167 k = 0.3095 0.1787 0.2809 ( 15498 PWs) bands (ev): -42.7202 -42.7202 -42.7202 -42.7202 -42.6811 -42.6811 -42.6811 -42.6811 -42.4225 -42.4225 -42.4225 -42.4225 -6.3853 -6.3853 -6.3853 -6.3853 0.5707 0.5707 0.5707 0.5707 1.6064 1.6064 1.6064 1.6064 1.9637 1.9637 1.9637 1.9637 5.4486 5.4486 5.4486 5.4486 7.3030 7.3030 7.3030 7.3030 k = 0.3214 0.1856 0.2809 ( 15496 PWs) bands (ev): -42.7201 -42.7201 -42.7201 -42.7201 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3732 -6.3732 -6.3732 -6.3732 0.5168 0.5168 0.5168 0.5168 1.6182 1.6182 1.6182 1.6182 1.9327 1.9327 1.9327 1.9327 5.3897 5.3897 5.3897 5.3897 7.2881 7.2881 7.2881 7.2881 k = 0.3333 0.1925 0.2809 ( 15494 PWs) bands (ev): -42.7200 -42.7200 -42.7200 -42.7200 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3614 -6.3614 -6.3614 -6.3614 0.4636 0.4636 0.4636 0.4636 1.6322 1.6322 1.6322 1.6322 1.9040 1.9040 1.9040 1.9040 5.3317 5.3317 5.3317 5.3317 7.2726 7.2726 7.2726 7.2726 k = 0.3452 0.1993 0.2809 ( 15498 PWs) bands (ev): -42.7200 -42.7200 -42.7200 -42.7200 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3500 -6.3500 -6.3500 -6.3500 0.4119 0.4119 0.4119 0.4119 1.6472 1.6472 1.6472 1.6472 1.8781 1.8781 1.8781 1.8781 5.2751 5.2751 5.2751 5.2751 7.2569 7.2569 7.2569 7.2569 k = 0.3571 0.2062 0.2809 ( 15498 PWs) bands (ev): -42.7199 -42.7199 -42.7199 -42.7199 -42.6813 -42.6813 -42.6813 -42.6813 -42.4226 -42.4226 -42.4226 -42.4226 -6.3391 -6.3391 -6.3391 -6.3391 0.3624 0.3624 0.3624 0.3624 1.6622 1.6622 1.6622 1.6622 1.8553 1.8553 1.8553 1.8553 5.2204 5.2204 5.2204 5.2204 7.2416 7.2416 7.2416 7.2416 k = 0.3690 0.2131 0.2809 ( 15500 PWs) bands (ev): -42.7198 -42.7198 -42.7198 -42.7198 -42.6813 -42.6813 -42.6813 -42.6813 -42.4227 -42.4227 -42.4227 -42.4227 -6.3288 -6.3288 -6.3288 -6.3288 0.3155 0.3155 0.3155 0.3155 1.6758 1.6758 1.6758 1.6758 1.8364 1.8364 1.8364 1.8364 5.1678 5.1678 5.1678 5.1678 7.2268 7.2268 7.2268 7.2268 k = 0.3810 0.2199 0.2809 ( 15530 PWs) bands (ev): -42.7198 -42.7198 -42.7198 -42.7198 -42.6813 -42.6813 -42.6813 -42.6813 -42.4227 -42.4227 -42.4227 -42.4227 -6.3190 -6.3190 -6.3190 -6.3190 0.2716 0.2716 0.2716 0.2716 1.6865 1.6865 1.6865 1.6865 1.8228 1.8228 1.8228 1.8228 5.1179 5.1179 5.1179 5.1179 7.2128 7.2128 7.2128 7.2128 k = 0.3929 0.2268 0.2809 ( 15536 PWs) bands (ev): -42.7197 -42.7197 -42.7197 -42.7197 -42.6813 -42.6813 -42.6813 -42.6813 -42.4227 -42.4227 -42.4227 -42.4227 -6.3100 -6.3100 -6.3100 -6.3100 0.2310 0.2310 0.2310 0.2310 1.6924 1.6924 1.6924 1.6924 1.8155 1.8155 1.8155 1.8155 5.0711 5.0711 5.0711 5.0711 7.1999 7.1999 7.1999 7.1999 k = 0.4048 0.2337 0.2809 ( 15512 PWs) bands (ev): -42.7197 -42.7197 -42.7197 -42.7197 -42.6814 -42.6814 -42.6814 -42.6814 -42.4227 -42.4227 -42.4227 -42.4227 -6.3017 -6.3017 -6.3017 -6.3017 0.1941 0.1941 0.1941 0.1941 1.6930 1.6930 1.6930 1.6930 1.8150 1.8150 1.8150 1.8150 5.0278 5.0278 5.0278 5.0278 7.1881 7.1881 7.1881 7.1881 k = 0.4167 0.2406 0.2809 ( 15524 PWs) bands (ev): -42.7196 -42.7196 -42.7196 -42.7196 -42.6814 -42.6814 -42.6814 -42.6814 -42.4227 -42.4227 -42.4227 -42.4227 -6.2942 -6.2942 -6.2942 -6.2942 0.1610 0.1610 0.1610 0.1610 1.6890 1.6890 1.6890 1.6890 1.8199 1.8199 1.8199 1.8199 4.9884 4.9884 4.9884 4.9884 7.1775 7.1775 7.1775 7.1775 k = 0.4286 0.2474 0.2809 ( 15526 PWs) bands (ev): -42.7196 -42.7196 -42.7196 -42.7196 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2876 -6.2876 -6.2876 -6.2876 0.1320 0.1320 0.1320 0.1320 1.6826 1.6826 1.6826 1.6826 1.8279 1.8279 1.8279 1.8279 4.9534 4.9534 4.9534 4.9534 7.1683 7.1683 7.1683 7.1683 k = 0.4405 0.2543 0.2809 ( 15522 PWs) bands (ev): -42.7196 -42.7196 -42.7196 -42.7196 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2820 -6.2820 -6.2820 -6.2820 0.1072 0.1072 0.1072 0.1072 1.6754 1.6754 1.6754 1.6754 1.8370 1.8370 1.8370 1.8370 4.9231 4.9231 4.9231 4.9231 7.1605 7.1605 7.1605 7.1605 k = 0.4524 0.2612 0.2809 ( 15520 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2773 -6.2773 -6.2773 -6.2773 0.0868 0.0868 0.0868 0.0868 1.6687 1.6687 1.6687 1.6687 1.8457 1.8457 1.8457 1.8457 4.8978 4.8978 4.8978 4.8978 7.1540 7.1540 7.1540 7.1540 k = 0.4643 0.2681 0.2809 ( 15512 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2736 -6.2736 -6.2736 -6.2736 0.0708 0.0708 0.0708 0.0708 1.6630 1.6630 1.6630 1.6630 1.8532 1.8532 1.8532 1.8532 4.8778 4.8778 4.8778 4.8778 7.1489 7.1489 7.1489 7.1489 k = 0.4762 0.2749 0.2809 ( 15520 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2709 -6.2709 -6.2709 -6.2709 0.0593 0.0593 0.0593 0.0593 1.6587 1.6587 1.6587 1.6587 1.8589 1.8589 1.8589 1.8589 4.8633 4.8633 4.8633 4.8633 7.1453 7.1453 7.1453 7.1453 k = 0.4881 0.2818 0.2809 ( 15512 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2693 -6.2693 -6.2693 -6.2693 0.0524 0.0524 0.0524 0.0524 1.6561 1.6561 1.6561 1.6561 1.8624 1.8624 1.8624 1.8624 4.8546 4.8546 4.8546 4.8546 7.1432 7.1432 7.1432 7.1432 k = 0.5000 0.2887 0.2809 ( 15516 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2688 -6.2688 -6.2688 -6.2688 0.0501 0.0501 0.0501 0.0501 1.6552 1.6552 1.6552 1.6552 1.8636 1.8636 1.8636 1.8636 4.8517 4.8517 4.8517 4.8517 7.1424 7.1424 7.1424 7.1424 k = 0.5000 0.2887 0.2809 ( 15516 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2688 -6.2688 -6.2688 -6.2688 0.0501 0.0501 0.0501 0.0501 1.6552 1.6552 1.6552 1.6552 1.8636 1.8636 1.8636 1.8636 4.8517 4.8517 4.8517 4.8517 7.1424 7.1424 7.1424 7.1424 k = 0.4931 0.3007 0.2809 ( 15508 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2686 -6.2686 -6.2686 -6.2686 0.0500 0.0500 0.0515 0.0515 1.6491 1.6491 1.6532 1.6532 1.8623 1.8623 1.8651 1.8651 4.8553 4.8553 4.8571 4.8571 7.1457 7.1457 7.1468 7.1468 k = 0.4861 0.3127 0.2809 ( 15496 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2681 -6.2681 -6.2681 -6.2681 0.0514 0.0514 0.0544 0.0544 1.6352 1.6352 1.6431 1.6431 1.8614 1.8614 1.8666 1.8666 4.8679 4.8679 4.8714 4.8714 7.1566 7.1566 7.1589 7.1589 k = 0.4792 0.3248 0.2809 ( 15492 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2672 -6.2672 -6.2672 -6.2672 0.0541 0.0541 0.0587 0.0587 1.6136 1.6136 1.6249 1.6249 1.8611 1.8611 1.8683 1.8683 4.8889 4.8889 4.8942 4.8942 7.1752 7.1752 7.1785 7.1785 k = 0.4722 0.3368 0.2809 ( 15496 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2660 -6.2660 -6.2660 -6.2660 0.0582 0.0582 0.0644 0.0644 1.5848 1.5848 1.5990 1.5990 1.8617 1.8617 1.8705 1.8705 4.9177 4.9177 4.9246 4.9246 7.2014 7.2014 7.2058 7.2058 k = 0.4653 0.3488 0.2809 ( 15500 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2644 -6.2644 -6.2644 -6.2644 0.0637 0.0637 0.0715 0.0715 1.5492 1.5492 1.5659 1.5659 1.8633 1.8633 1.8732 1.8732 4.9532 4.9532 4.9619 4.9619 7.2351 7.2351 7.2403 7.2403 k = 0.4583 0.3608 0.2809 ( 15484 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2626 -6.2626 -6.2626 -6.2626 0.0705 0.0705 0.0800 0.0800 1.5075 1.5075 1.5266 1.5266 1.8659 1.8659 1.8765 1.8765 4.9944 4.9944 5.0049 5.0049 7.2758 7.2758 7.2817 7.2817 k = 0.4514 0.3729 0.2809 ( 15486 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2605 -6.2605 -6.2605 -6.2605 0.0786 0.0786 0.0900 0.0900 1.4607 1.4607 1.4818 1.4818 1.8696 1.8696 1.8806 1.8806 5.0401 5.0401 5.0524 5.0524 7.3224 7.3224 7.3284 7.3284 k = 0.4444 0.3849 0.2809 ( 15486 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2582 -6.2582 -6.2581 -6.2581 0.0879 0.0879 0.1013 0.1013 1.4095 1.4095 1.4328 1.4328 1.8740 1.8740 1.8854 1.8854 5.0891 5.0891 5.1032 5.1032 7.3714 7.3714 7.3763 7.3763 k = 0.4375 0.3969 0.2809 ( 15484 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2556 -6.2556 -6.2556 -6.2556 0.0984 0.0984 0.1140 0.1140 1.3549 1.3549 1.3803 1.3803 1.8792 1.8792 1.8908 1.8908 5.1403 5.1403 5.1562 5.1562 7.4124 7.4124 7.4135 7.4135 k = 0.4306 0.4090 0.2809 ( 15496 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2528 -6.2528 -6.2528 -6.2528 0.1101 0.1101 0.1280 0.1280 1.2978 1.2978 1.3255 1.3255 1.8851 1.8851 1.8968 1.8968 5.1926 5.1926 5.2103 5.2103 7.4116 7.4116 7.4178 7.4178 k = 0.4236 0.4210 0.2809 ( 15486 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2499 -6.2499 -6.2499 -6.2499 0.1228 0.1228 0.1433 0.1433 1.2389 1.2389 1.2691 1.2691 1.8914 1.8914 1.9032 1.9032 5.2450 5.2450 5.2644 5.2644 7.3580 7.3580 7.3682 7.3682 k = 0.4167 0.4330 0.2809 ( 15476 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2469 -6.2469 -6.2469 -6.2469 0.1365 0.1365 0.1599 0.1599 1.1792 1.1792 1.2121 1.2121 1.8981 1.8981 1.9100 1.9100 5.2965 5.2965 5.3177 5.3177 7.2790 7.2790 7.2896 7.2896 k = 0.4097 0.4450 0.2809 ( 15476 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2439 -6.2439 -6.2439 -6.2439 0.1511 0.1511 0.1777 0.1777 1.1192 1.1192 1.1553 1.1553 1.9050 1.9050 1.9171 1.9171 5.3464 5.3464 5.3694 5.3694 7.1936 7.1936 7.2035 7.2035 k = 0.4028 0.4571 0.2809 ( 15472 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2408 -6.2408 -6.2408 -6.2408 0.1664 0.1664 0.1966 0.1966 1.0597 1.0597 1.0994 1.0994 1.9121 1.9121 1.9243 1.9243 5.3940 5.3940 5.4187 5.4187 7.1090 7.1090 7.1180 7.1180 k = 0.3958 0.4691 0.2809 ( 15472 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2378 -6.2378 -6.2378 -6.2378 0.1821 0.1821 0.2165 0.2165 1.0014 1.0014 1.0451 1.0451 1.9192 1.9192 1.9315 1.9315 5.4387 5.4387 5.4651 5.4651 7.0281 7.0281 7.0360 7.0360 k = 0.3889 0.4811 0.2809 ( 15484 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2348 -6.2348 -6.2348 -6.2348 0.1981 0.1981 0.2372 0.2372 0.9448 0.9448 0.9933 0.9933 1.9262 1.9262 1.9386 1.9386 5.4797 5.4797 5.5078 5.5078 6.9526 6.9526 6.9595 6.9595 k = 0.3819 0.4932 0.2809 ( 15476 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4229 -42.4229 -42.4228 -42.4228 -6.2320 -6.2320 -6.2320 -6.2320 0.2140 0.2140 0.2585 0.2585 0.8908 0.8908 0.9446 0.9446 1.9329 1.9329 1.9454 1.9454 5.5168 5.5168 5.5465 5.5465 6.8838 6.8838 6.8895 6.8895 k = 0.3750 0.5052 0.2809 ( 15490 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4229 -42.4229 -42.4229 -42.4229 -6.2294 -6.2294 -6.2294 -6.2294 0.2295 0.2295 0.2801 0.2801 0.8399 0.8399 0.8998 0.8998 1.9392 1.9392 1.9518 1.9518 5.5492 5.5492 5.5806 5.5806 6.8226 6.8226 6.8271 6.8271 k = 0.3681 0.5172 0.2809 ( 15490 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4229 -42.4229 -42.4229 -42.4229 -6.2271 -6.2271 -6.2271 -6.2271 0.2440 0.2440 0.3015 0.3015 0.7930 0.7930 0.8598 0.8598 1.9449 1.9449 1.9577 1.9577 5.5767 5.5767 5.6095 5.6095 6.7698 6.7698 6.7731 6.7731 k = 0.3611 0.5292 0.2809 ( 15490 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2251 -6.2251 -6.2251 -6.2251 0.2569 0.2569 0.3220 0.3220 0.7512 0.7512 0.8255 0.8255 1.9499 1.9499 1.9628 1.9628 5.5988 5.5988 5.6330 5.6330 6.7262 6.7262 6.7284 6.7284 k = 0.3542 0.5413 0.2809 ( 15492 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2234 -6.2234 -6.2234 -6.2234 0.2676 0.2676 0.3404 0.3404 0.7157 0.7157 0.7978 0.7978 1.9540 1.9540 1.9670 1.9670 5.6154 5.6154 5.6508 5.6508 6.6923 6.6923 6.6936 6.6936 k = 0.3472 0.5533 0.2809 ( 15492 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2222 -6.2222 -6.2222 -6.2222 0.2755 0.2755 0.3553 0.3553 0.6884 0.6884 0.7774 0.7774 1.9571 1.9571 1.9702 1.9702 5.6266 5.6266 5.6628 5.6628 6.6684 6.6684 6.6690 6.6690 k = 0.3403 0.5653 0.2809 ( 15494 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2214 -6.2214 -6.2214 -6.2214 0.2803 0.2803 0.3651 0.3651 0.6711 0.6711 0.7651 0.7651 1.9591 1.9591 1.9722 1.9722 5.6328 5.6328 5.6695 5.6695 6.6544 6.6544 6.6546 6.6546 k = 0.3333 0.5774 0.2809 ( 15510 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2211 -6.2211 -6.2211 -6.2211 0.2818 0.2818 0.3684 0.3684 0.6652 0.6652 0.7610 0.7610 1.9598 1.9598 1.9729 1.9729 5.6347 5.6347 5.6716 5.6716 6.6498 6.6498 6.6499 6.6499 k = 0.3333 0.5774 0.2809 ( 15510 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2211 -6.2211 -6.2211 -6.2211 0.2818 0.2818 0.3684 0.3684 0.6652 0.6652 0.7610 0.7610 1.9598 1.9598 1.9729 1.9729 5.6347 5.6347 5.6716 5.6716 6.6498 6.6498 6.6499 6.6499 k = 0.3264 0.5653 0.2809 ( 15494 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2214 -6.2214 -6.2214 -6.2214 0.2805 0.2805 0.3654 0.3654 0.6709 0.6709 0.7649 0.7649 1.9591 1.9591 1.9722 1.9722 5.6332 5.6332 5.6699 5.6699 6.6541 6.6541 6.6543 6.6543 k = 0.3194 0.5533 0.2809 ( 15486 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2223 -6.2223 -6.2223 -6.2223 0.2770 0.2770 0.3575 0.3575 0.6866 0.6866 0.7763 0.7763 1.9568 1.9568 1.9699 1.9699 5.6294 5.6294 5.6657 5.6657 6.6662 6.6662 6.6667 6.6667 k = 0.3125 0.5413 0.2809 ( 15490 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2238 -6.2238 -6.2238 -6.2238 0.2725 0.2725 0.3472 0.3472 0.7103 0.7103 0.7941 0.7941 1.9530 1.9530 1.9659 1.9659 5.6245 5.6245 5.6602 5.6602 6.6852 6.6852 6.6862 6.6862 k = 0.3056 0.5292 0.2809 ( 15476 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2260 -6.2260 -6.2260 -6.2260 0.2679 0.2679 0.3363 0.3363 0.7400 0.7400 0.8176 0.8176 1.9474 1.9474 1.9603 1.9603 5.6196 5.6196 5.6545 5.6545 6.7100 6.7100 6.7117 6.7117 k = 0.2986 0.5172 0.2809 ( 15482 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4229 -42.4229 -42.4229 -42.4229 -6.2289 -6.2289 -6.2289 -6.2289 0.2641 0.2641 0.3265 0.3265 0.7742 0.7742 0.8457 0.8457 1.9402 1.9402 1.9528 1.9528 5.6157 5.6157 5.6496 5.6496 6.7397 6.7397 6.7421 6.7421 k = 0.2917 0.5052 0.2809 ( 15482 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4229 -42.4229 -42.4228 -42.4228 -6.2325 -6.2325 -6.2325 -6.2325 0.2619 0.2619 0.3188 0.3188 0.8119 0.8119 0.8779 0.8779 1.9312 1.9312 1.9436 1.9436 5.6136 5.6136 5.6465 5.6465 6.7734 6.7734 6.7765 6.7765 k = 0.2847 0.4932 0.2809 ( 15466 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2368 -6.2368 -6.2368 -6.2368 0.2620 0.2620 0.3139 0.3139 0.8524 0.8524 0.9135 0.9135 1.9205 1.9205 1.9327 1.9327 5.6138 5.6138 5.6457 5.6457 6.8103 6.8103 6.8141 6.8141 k = 0.2778 0.4811 0.2809 ( 15474 PWs) bands (ev): -42.7193 -42.7193 -42.7193 -42.7193 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2419 -6.2419 -6.2419 -6.2419 0.2647 0.2647 0.3123 0.3123 0.8954 0.8954 0.9520 0.9520 1.9082 1.9082 1.9200 1.9200 5.6170 5.6170 5.6479 5.6479 6.8496 6.8496 6.8541 6.8541 k = 0.2708 0.4691 0.2809 ( 15478 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2477 -6.2477 -6.2477 -6.2477 0.2705 0.2705 0.3142 0.3142 0.9404 0.9404 0.9930 0.9930 1.8942 1.8942 1.9057 1.9057 5.6235 5.6235 5.6533 5.6533 6.8906 6.8906 6.8957 6.8957 k = 0.2639 0.4571 0.2809 ( 15478 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2543 -6.2543 -6.2542 -6.2542 0.2796 0.2796 0.3198 0.3198 0.9872 0.9872 1.0362 1.0362 1.8789 1.8789 1.8899 1.8899 5.6334 5.6334 5.6622 5.6622 6.9325 6.9325 6.9381 6.9381 k = 0.2569 0.4450 0.2809 ( 15490 PWs) bands (ev): -42.7194 -42.7194 -42.7194 -42.7194 -42.6815 -42.6815 -42.6815 -42.6815 -42.4228 -42.4228 -42.4228 -42.4228 -6.2615 -6.2615 -6.2615 -6.2615 0.2922 0.2922 0.3292 0.3292 1.0357 1.0357 1.0815 1.0815 1.8622 1.8622 1.8728 1.8728 5.6469 5.6469 5.6746 5.6746 6.9744 6.9744 6.9805 6.9805 k = 0.2500 0.4330 0.2809 ( 15504 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2695 -6.2695 -6.2695 -6.2695 0.3083 0.3083 0.3425 0.3425 1.0857 1.0857 1.1284 1.1284 1.8445 1.8445 1.8545 1.8545 5.6640 5.6640 5.6907 5.6907 7.0154 7.0154 7.0218 7.0218 k = 0.2431 0.4210 0.2809 ( 15504 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2781 -6.2781 -6.2781 -6.2781 0.3279 0.3279 0.3596 0.3596 1.1371 1.1371 1.1770 1.1770 1.8259 1.8259 1.8352 1.8352 5.6847 5.6847 5.7104 5.7104 7.0544 7.0544 7.0608 7.0608 k = 0.2361 0.4090 0.2809 ( 15492 PWs) bands (ev): -42.7196 -42.7196 -42.7196 -42.7196 -42.6814 -42.6814 -42.6814 -42.6814 -42.4227 -42.4227 -42.4227 -42.4227 -6.2874 -6.2874 -6.2874 -6.2874 0.3512 0.3512 0.3805 0.3805 1.1897 1.1897 1.2268 1.2268 1.8067 1.8067 1.8153 1.8153 5.7088 5.7088 5.7334 5.7334 7.0898 7.0898 7.0961 7.0961 k = 0.2292 0.3969 0.2809 ( 15500 PWs) bands (ev): -42.7197 -42.7197 -42.7197 -42.7197 -42.6814 -42.6814 -42.6814 -42.6814 -42.4227 -42.4227 -42.4227 -42.4227 -6.2973 -6.2973 -6.2973 -6.2973 0.3779 0.3779 0.4050 0.4050 1.2435 1.2435 1.2777 1.2777 1.7874 1.7874 1.7950 1.7950 5.7360 5.7360 5.7597 5.7597 7.1202 7.1202 7.1260 7.1260 k = 0.2222 0.3849 0.2809 ( 15502 PWs) bands (ev): -42.7197 -42.7197 -42.7197 -42.7197 -42.6813 -42.6813 -42.6813 -42.6813 -42.4227 -42.4227 -42.4227 -42.4227 -6.3078 -6.3078 -6.3078 -6.3078 0.4079 0.4079 0.4330 0.4330 1.2983 1.2983 1.3295 1.3295 1.7685 1.7685 1.7747 1.7747 5.7663 5.7663 5.7889 5.7889 7.1438 7.1438 7.1486 7.1486 k = 0.2153 0.3729 0.2809 ( 15502 PWs) bands (ev): -42.7198 -42.7198 -42.7198 -42.7198 -42.6813 -42.6813 -42.6813 -42.6813 -42.4227 -42.4227 -42.4227 -42.4227 -6.3188 -6.3188 -6.3188 -6.3188 0.4411 0.4411 0.4642 0.4642 1.3538 1.3538 1.3817 1.3817 1.7504 1.7504 1.7548 1.7548 5.7992 5.7992 5.8209 5.8209 7.1589 7.1589 7.1624 7.1624 k = 0.2083 0.3608 0.2809 ( 15516 PWs) bands (ev): -42.7199 -42.7199 -42.7199 -42.7199 -42.6813 -42.6813 -42.6813 -42.6813 -42.4227 -42.4227 -42.4227 -42.4227 -6.3302 -6.3302 -6.3302 -6.3302 0.4772 0.4772 0.4984 0.4984 1.4099 1.4099 1.4335 1.4335 1.7344 1.7344 1.7360 1.7360 5.8344 5.8344 5.8551 5.8551 7.1644 7.1644 7.1661 7.1661 k = 0.2014 0.3488 0.2809 ( 15516 PWs) bands (ev): -42.7199 -42.7199 -42.7199 -42.7199 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3421 -6.3421 -6.3421 -6.3421 0.5158 0.5158 0.5352 0.5352 1.4660 1.4660 1.4838 1.4838 1.7192 1.7192 1.7218 1.7218 5.8716 5.8716 5.8914 5.8914 7.1598 7.1598 7.1601 7.1601 k = 0.1944 0.3368 0.2809 ( 15524 PWs) bands (ev): -42.7200 -42.7200 -42.7200 -42.7200 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3543 -6.3543 -6.3543 -6.3543 0.5566 0.5566 0.5742 0.5742 1.5210 1.5210 1.5299 1.5299 1.7058 1.7058 1.7159 1.7159 5.9104 5.9104 5.9293 5.9293 7.1441 7.1441 7.1465 7.1465 k = 0.1875 0.3248 0.2809 ( 15524 PWs) bands (ev): -42.7201 -42.7201 -42.7201 -42.7201 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3668 -6.3668 -6.3668 -6.3668 0.5990 0.5990 0.6148 0.6148 1.5668 1.5668 1.5720 1.5720 1.6994 1.6994 1.7220 1.7220 5.9503 5.9503 5.9683 5.9683 7.1206 7.1206 7.1249 7.1249 k = 0.1806 0.3127 0.2809 ( 15536 PWs) bands (ev): -42.7201 -42.7201 -42.7201 -42.7201 -42.6812 -42.6812 -42.6812 -42.6812 -42.4226 -42.4226 -42.4226 -42.4226 -6.3796 -6.3796 -6.3795 -6.3795 0.6423 0.6423 0.6562 0.6562 1.5894 1.5894 1.6103 1.6103 1.7091 1.7091 1.7460 1.7460 5.9910 5.9910 6.0081 6.0081 7.0911 7.0911 7.0970 7.0970 k = 0.1736 0.3007 0.2809 ( 15540 PWs) bands (ev): -42.7202 -42.7202 -42.7202 -42.7202 -42.6811 -42.6811 -42.6811 -42.6811 -42.4225 -42.4225 -42.4225 -42.4225 -6.3925 -6.3925 -6.3924 -6.3924 0.6857 0.6857 0.6978 0.6978 1.5999 1.5999 1.6276 1.6276 1.7441 1.7441 1.7862 1.7862 6.0321 6.0321 6.0483 6.0483 7.0573 7.0573 7.0647 7.0647 k = 0.1667 0.2887 0.2809 ( 15534 PWs) bands (ev): -42.7203 -42.7203 -42.7203 -42.7203 -42.6811 -42.6811 -42.6811 -42.6811 -42.4225 -42.4225 -42.4225 -42.4225 -6.4055 -6.4055 -6.4055 -6.4055 0.7282 0.7282 0.7385 0.7385 1.6059 1.6059 1.6339 1.6339 1.7953 1.7953 1.8360 1.8360 6.0729 6.0729 6.0883 6.0883 7.0208 7.0208 7.0293 7.0293 k = 0.1597 0.2766 0.2809 ( 15526 PWs) bands (ev): -42.7204 -42.7204 -42.7204 -42.7204 -42.6810 -42.6810 -42.6810 -42.6810 -42.4225 -42.4225 -42.4225 -42.4225 -6.4185 -6.4185 -6.4185 -6.4185 0.7687 0.7687 0.7773 0.7773 1.6132 1.6132 1.6402 1.6402 1.8524 1.8524 1.8906 1.8906 6.1132 6.1132 6.1277 6.1277 6.9828 6.9828 6.9921 6.9921 k = 0.1528 0.2646 0.2809 ( 15518 PWs) bands (ev): -42.7205 -42.7205 -42.7205 -42.7205 -42.6810 -42.6810 -42.6810 -42.6810 -42.4225 -42.4225 -42.4225 -42.4225 -6.4316 -6.4316 -6.4315 -6.4315 0.8061 0.8061 0.8129 0.8129 1.6249 1.6249 1.6512 1.6512 1.9118 1.9118 1.9476 1.9476 6.1525 6.1525 6.1661 6.1661 6.9443 6.9443 6.9542 6.9542 k = 0.1458 0.2526 0.2809 ( 15520 PWs) bands (ev): -42.7205 -42.7205 -42.7205 -42.7205 -42.6810 -42.6810 -42.6810 -42.6810 -42.4224 -42.4224 -42.4224 -42.4224 -6.4445 -6.4445 -6.4445 -6.4445 0.8392 0.8392 0.8444 0.8444 1.6433 1.6433 1.6690 1.6690 1.9722 1.9722 2.0059 2.0059 6.1902 6.1902 6.2031 6.2031 6.9059 6.9059 6.9164 6.9164 k = 0.1389 0.2406 0.2809 ( 15514 PWs) bands (ev): -42.7206 -42.7206 -42.7206 -42.7206 -42.6809 -42.6809 -42.6809 -42.6809 -42.4224 -42.4224 -42.4224 -42.4224 -6.4573 -6.4573 -6.4573 -6.4573 0.8671 0.8671 0.8708 0.8708 1.6697 1.6697 1.6949 1.6949 2.0329 2.0329 2.0648 2.0648 6.2261 6.2261 6.2381 6.2381 6.8684 6.8684 6.8792 6.8792 k = 0.1319 0.2285 0.2809 ( 15528 PWs) bands (ev): -42.7207 -42.7207 -42.7207 -42.7207 -42.6809 -42.6809 -42.6809 -42.6809 -42.4224 -42.4224 -42.4224 -42.4224 -6.4699 -6.4699 -6.4699 -6.4699 0.8891 0.8891 0.8917 0.8917 1.7048 1.7048 1.7293 1.7293 2.0936 2.0936 2.1238 2.1238 6.2596 6.2596 6.2709 6.2709 6.8323 6.8323 6.8433 6.8433 k = 0.1250 0.2165 0.2809 ( 15534 PWs) bands (ev): -42.7208 -42.7208 -42.7208 -42.7208 -42.6809 -42.6809 -42.6809 -42.6809 -42.4223 -42.4223 -42.4223 -42.4223 -6.4822 -6.4822 -6.4822 -6.4822 0.9053 0.9053 0.9070 0.9070 1.7485 1.7485 1.7724 1.7724 2.1540 2.1540 2.1826 2.1826 6.2905 6.2905 6.3009 6.3009 6.7978 6.7978 6.8090 6.8090 k = 0.1181 0.2045 0.2809 ( 15514 PWs) bands (ev): -42.7209 -42.7209 -42.7209 -42.7209 -42.6808 -42.6808 -42.6808 -42.6808 -42.4223 -42.4223 -42.4223 -42.4223 -6.4942 -6.4942 -6.4942 -6.4942 0.9159 0.9159 0.9169 0.9169 1.8005 1.8005 1.8235 1.8235 2.2138 2.2138 2.2408 2.2408 6.3182 6.3182 6.3278 6.3278 6.7656 6.7656 6.7768 6.7768 k = 0.1111 0.1925 0.2809 ( 15522 PWs) bands (ev): -42.7209 -42.7209 -42.7209 -42.7209 -42.6808 -42.6808 -42.6808 -42.6808 -42.4223 -42.4223 -42.4223 -42.4223 -6.5058 -6.5058 -6.5058 -6.5058 0.9217 0.9217 0.9223 0.9223 1.8597 1.8597 1.8818 1.8818 2.2727 2.2727 2.2982 2.2982 6.3423 6.3423 6.3511 6.3511 6.7360 6.7360 6.7471 6.7471 k = 0.1042 0.1804 0.2809 ( 15528 PWs) bands (ev): -42.7210 -42.7210 -42.7210 -42.7210 -42.6808 -42.6808 -42.6808 -42.6808 -42.4223 -42.4223 -42.4223 -42.4223 -6.5169 -6.5169 -6.5169 -6.5169 0.9236 0.9236 0.9239 0.9239 1.9251 1.9251 1.9460 1.9460 2.3306 2.3306 2.3546 2.3546 6.3625 6.3625 6.3704 6.3704 6.7095 6.7095 6.7203 6.7203 k = 0.0972 0.1684 0.2809 ( 15524 PWs) bands (ev): -42.7211 -42.7211 -42.7211 -42.7211 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5276 -6.5276 -6.5276 -6.5276 0.9223 0.9223 0.9225 0.9225 1.9953 1.9953 2.0150 2.0150 2.3871 2.3871 2.4096 2.4096 6.3782 6.3782 6.3852 6.3852 6.6864 6.6864 6.6969 6.6969 k = 0.0903 0.1564 0.2809 ( 15520 PWs) bands (ev): -42.7211 -42.7211 -42.7211 -42.7211 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5378 -6.5378 -6.5378 -6.5378 0.9188 0.9188 0.9188 0.9188 2.0690 2.0690 2.0875 2.0875 2.4421 2.4421 2.4631 2.4631 6.3890 6.3890 6.3950 6.3950 6.6674 6.6674 6.6773 6.6773 k = 0.0833 0.1443 0.2809 ( 15510 PWs) bands (ev): -42.7212 -42.7212 -42.7212 -42.7212 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5473 -6.5473 -6.5473 -6.5473 0.9136 0.9136 0.9136 0.9136 2.1451 2.1451 2.1623 2.1623 2.4954 2.4954 2.5147 2.5147 6.3945 6.3945 6.3993 6.3993 6.6527 6.6527 6.6618 6.6618 k = 0.0764 0.1323 0.2809 ( 15518 PWs) bands (ev): -42.7213 -42.7213 -42.7213 -42.7213 -42.6807 -42.6807 -42.6807 -42.6807 -42.4222 -42.4222 -42.4222 -42.4222 -6.5563 -6.5563 -6.5563 -6.5563 0.9074 0.9074 0.9074 0.9074 2.2222 2.2222 2.2379 2.2379 2.5467 2.5467 2.5642 2.5642 6.3946 6.3946 6.3981 6.3981 6.6424 6.6424 6.6504 6.6504 k = 0.0694 0.1203 0.2809 ( 15522 PWs) bands (ev): -42.7213 -42.7213 -42.7213 -42.7213 -42.6806 -42.6806 -42.6806 -42.6806 -42.4222 -42.4222 -42.4222 -42.4222 -6.5646 -6.5646 -6.5646 -6.5646 0.9006 0.9006 0.9006 0.9006 2.2989 2.2989 2.3131 2.3131 2.5958 2.5958 2.6116 2.6116 6.3892 6.3892 6.3915 6.3915 6.6360 6.6360 6.6430 6.6430 k = 0.0625 0.1083 0.2809 ( 15530 PWs) bands (ev): -42.7214 -42.7214 -42.7214 -42.7214 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5722 -6.5722 -6.5722 -6.5722 0.8936 0.8936 0.8937 0.8937 2.3739 2.3739 2.3863 2.3863 2.6428 2.6428 2.6565 2.6565 6.3789 6.3789 6.3802 6.3802 6.6328 6.6328 6.6388 6.6388 k = 0.0556 0.0962 0.2809 ( 15534 PWs) bands (ev): -42.7214 -42.7214 -42.7214 -42.7214 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5791 -6.5791 -6.5791 -6.5791 0.8868 0.8868 0.8868 0.8868 2.4457 2.4457 2.4562 2.4562 2.6873 2.6873 2.6990 2.6990 6.3641 6.3641 6.3645 6.3645 6.6320 6.6320 6.6370 6.6370 k = 0.0486 0.0842 0.2809 ( 15530 PWs) bands (ev): -42.7215 -42.7215 -42.7215 -42.7215 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5853 -6.5853 -6.5853 -6.5853 0.8803 0.8803 0.8803 0.8803 2.5125 2.5125 2.5210 2.5210 2.7296 2.7296 2.7389 2.7389 6.3451 6.3451 6.3452 6.3452 6.6326 6.6326 6.6369 6.6369 k = 0.0417 0.0722 0.2809 ( 15534 PWs) bands (ev): -42.7215 -42.7215 -42.7215 -42.7215 -42.6806 -42.6806 -42.6806 -42.6806 -42.4221 -42.4221 -42.4221 -42.4221 -6.5907 -6.5907 -6.5907 -6.5907 0.8743 0.8743 0.8743 0.8743 2.5728 2.5728 2.5792 2.5792 2.7693 2.7693 2.7762 2.7762 6.3225 6.3225 6.3228 6.3228 6.6341 6.6341 6.6376 6.6376 k = 0.0347 0.0601 0.2809 ( 15534 PWs) bands (ev): -42.7215 -42.7215 -42.7215 -42.7215 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.5953 -6.5953 -6.5953 -6.5953 0.8691 0.8691 0.8691 0.8691 2.6250 2.6250 2.6292 2.6292 2.8062 2.8062 2.8108 2.8108 6.2974 6.2974 6.2978 6.2978 6.6359 6.6359 6.6388 6.6388 k = 0.0278 0.0481 0.2809 ( 15546 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.5990 -6.5990 -6.5990 -6.5990 0.8646 0.8646 0.8646 0.8646 2.6677 2.6677 2.6702 2.6702 2.8395 2.8395 2.8421 2.8421 6.2714 6.2714 6.2717 6.2717 6.6378 6.6378 6.6401 6.6401 k = 0.0208 0.0361 0.2809 ( 15570 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6020 -6.6020 -6.6020 -6.6020 0.8611 0.8611 0.8611 0.8611 2.7006 2.7006 2.7016 2.7016 2.8678 2.8678 2.8690 2.8690 6.2469 6.2469 6.2471 6.2471 6.6395 6.6395 6.6412 6.6412 k = 0.0139 0.0241 0.2809 ( 15594 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6041 -6.6041 -6.6041 -6.6041 0.8585 0.8585 0.8585 0.8585 2.7235 2.7235 2.7238 2.7238 2.8895 2.8895 2.8899 2.8899 6.2266 6.2266 6.2267 6.2267 6.6409 6.6409 6.6420 6.6420 k = 0.0069 0.0120 0.2809 ( 15624 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6054 -6.6054 -6.6054 -6.6054 0.8569 0.8569 0.8569 0.8569 2.7369 2.7369 2.7370 2.7370 2.9033 2.9033 2.9033 2.9033 6.2132 6.2132 6.2132 6.2132 6.6418 6.6418 6.6424 6.6424 k = 0.0000 0.0000 0.2809 ( 15660 PWs) bands (ev): -42.7216 -42.7216 -42.7216 -42.7216 -42.6805 -42.6805 -42.6805 -42.6805 -42.4221 -42.4221 -42.4221 -42.4221 -6.6058 -6.6058 -6.6058 -6.6058 0.8564 0.8564 0.8564 0.8564 2.7413 2.7413 2.7413 2.7413 2.9079 2.9079 2.9079 2.9079 6.2085 6.2085 6.2085 6.2085 6.6420 6.6420 6.6420 6.6425 k = 0.5000 0.2887 0.2809 ( 15516 PWs) bands (ev): -42.7195 -42.7195 -42.7195 -42.7195 -42.6814 -42.6814 -42.6814 -42.6814 -42.4228 -42.4228 -42.4228 -42.4228 -6.2688 -6.2688 -6.2688 -6.2688 0.0501 0.0501 0.0501 0.0501 1.6552 1.6552 1.6552 1.6552 1.8636 1.8636 1.8636 1.8636 4.8517 4.8517 4.8517 4.8517 7.1424 7.1424 7.1424 7.1424 k = 0.5000 0.2887 0.2675 ( 15516 PWs) bands (ev): -42.7197 -42.7197 -42.7193 -42.7193 -42.6816 -42.6816 -42.6813 -42.6813 -42.4228 -42.4228 -42.4228 -42.4228 -6.2724 -6.2724 -6.2651 -6.2651 0.0318 0.0318 0.0698 0.0698 1.6269 1.6269 1.6835 1.6835 1.8353 1.8353 1.8891 1.8891 4.8200 4.8200 4.8884 4.8884 7.1240 7.1240 7.1638 7.1638 k = 0.5000 0.2887 0.2541 ( 15488 PWs) bands (ev): -42.7198 -42.7198 -42.7191 -42.7191 -42.6818 -42.6818 -42.6811 -42.6811 -42.4228 -42.4228 -42.4228 -42.4228 -6.2761 -6.2761 -6.2614 -6.2614 0.0149 0.0149 0.0909 0.0909 1.5988 1.5988 1.7110 1.7110 1.8052 1.8052 1.9112 1.9112 4.7941 4.7941 4.9294 4.9294 7.1079 7.1079 7.1885 7.1885 k = 0.5000 0.2887 0.2407 ( 15488 PWs) bands (ev): -42.7200 -42.7200 -42.7190 -42.7190 -42.6819 -42.6819 -42.6809 -42.6809 -42.4228 -42.4228 -42.4228 -42.4228 -6.2797 -6.2797 -6.2578 -6.2578 -0.0004 -0.0004 0.1133 0.1133 1.5712 1.5712 1.7340 1.7340 1.7773 1.7773 1.9297 1.9297 4.7747 4.7747 4.9738 4.9738 7.0936 7.0936 7.2172 7.2172 k = 0.5000 0.2887 0.2274 ( 15506 PWs) bands (ev): -42.7202 -42.7202 -42.7188 -42.7188 -42.6821 -42.6821 -42.6808 -42.6808 -42.4228 -42.4228 -42.4227 -42.4227 -6.2833 -6.2833 -6.2542 -6.2542 -0.0143 -0.0143 0.1370 0.1370 1.5442 1.5442 1.7263 1.7263 1.7779 1.7779 1.9443 1.9443 4.7622 4.7622 5.0205 5.0205 7.0807 7.0807 7.2504 7.2504 k = 0.5000 0.2887 0.2140 ( 15506 PWs) bands (ev): -42.7203 -42.7203 -42.7186 -42.7186 -42.6823 -42.6823 -42.6806 -42.6806 -42.4228 -42.4228 -42.4227 -42.4227 -6.2868 -6.2868 -6.2507 -6.2507 -0.0267 -0.0267 0.1618 0.1618 1.5180 1.5180 1.6945 1.6945 1.8005 1.8005 1.9553 1.9553 4.7571 4.7571 5.0688 5.0688 7.0685 7.0685 7.2886 7.2886 k = 0.5000 0.2887 0.2006 ( 15504 PWs) bands (ev): -42.7205 -42.7205 -42.7185 -42.7185 -42.6824 -42.6824 -42.6805 -42.6805 -42.4228 -42.4228 -42.4227 -42.4227 -6.2901 -6.2901 -6.2474 -6.2474 -0.0377 -0.0377 0.1877 0.1877 1.4925 1.4925 1.6594 1.6594 1.8238 1.8238 1.9633 1.9633 4.7595 4.7595 5.1176 5.1176 7.0564 7.0564 7.3323 7.3323 k = 0.5000 0.2887 0.1872 ( 15526 PWs) bands (ev): -42.7206 -42.7206 -42.7183 -42.7183 -42.6826 -42.6826 -42.6804 -42.6804 -42.4229 -42.4229 -42.4227 -42.4227 -6.2934 -6.2934 -6.2441 -6.2441 -0.0473 -0.0473 0.2143 0.2143 1.4678 1.4678 1.6241 1.6241 1.8439 1.8439 1.9699 1.9699 4.7694 4.7694 5.1661 5.1661 7.0440 7.0440 7.3820 7.3820 k = 0.5000 0.2887 0.1739 ( 15502 PWs) bands (ev): -42.7207 -42.7207 -42.7182 -42.7182 -42.6828 -42.6828 -42.6802 -42.6802 -42.4229 -42.4229 -42.4227 -42.4227 -6.2965 -6.2965 -6.2410 -6.2410 -0.0557 -0.0557 0.2416 0.2416 1.4438 1.4438 1.5893 1.5893 1.8584 1.8584 1.9771 1.9771 4.7864 4.7864 5.2136 5.2136 7.0305 7.0305 7.4381 7.4381 k = 0.5000 0.2887 0.1605 ( 15502 PWs) bands (ev): -42.7209 -42.7209 -42.7180 -42.7180 -42.6829 -42.6829 -42.6801 -42.6801 -42.4229 -42.4229 -42.4227 -42.4227 -6.2995 -6.2995 -6.2380 -6.2380 -0.0627 -0.0627 0.2694 0.2694 1.4207 1.4207 1.5558 1.5558 1.8649 1.8649 1.9874 1.9874 4.8103 4.8103 5.2593 5.2593 7.0153 7.0153 7.5007 7.5007 k = 0.5000 0.2887 0.1471 ( 15476 PWs) bands (ev): -42.7210 -42.7210 -42.7179 -42.7179 -42.6830 -42.6830 -42.6800 -42.6800 -42.4229 -42.4229 -42.4227 -42.4227 -6.3022 -6.3022 -6.2352 -6.2352 -0.0686 -0.0686 0.2973 0.2973 1.3984 1.3984 1.5242 1.5242 1.8629 1.8629 2.0017 2.0017 4.8402 4.8402 5.3025 5.3025 6.9977 6.9977 7.4992 7.4992 k = 0.5000 0.2887 0.1337 ( 15470 PWs) bands (ev): -42.7211 -42.7211 -42.7177 -42.7177 -42.6832 -42.6832 -42.6798 -42.6798 -42.4229 -42.4229 -42.4227 -42.4227 -6.3048 -6.3048 -6.2326 -6.2326 -0.0735 -0.0735 0.3251 0.3251 1.3768 1.3768 1.4949 1.4949 1.8537 1.8537 2.0189 2.0189 4.8754 4.8754 5.3428 5.3428 6.9771 6.9771 7.4225 7.4225 k = 0.5000 0.2887 0.1204 ( 15476 PWs) bands (ev): -42.7212 -42.7212 -42.7176 -42.7176 -42.6833 -42.6833 -42.6797 -42.6797 -42.4229 -42.4229 -42.4227 -42.4227 -6.3072 -6.3072 -6.2302 -6.2302 -0.0774 -0.0774 0.3524 0.3524 1.3559 1.3559 1.4683 1.4683 1.8394 1.8394 2.0374 2.0374 4.9149 4.9149 5.3798 5.3798 6.9530 6.9530 7.3518 7.3518 k = 0.5000 0.2887 0.1070 ( 15484 PWs) bands (ev): -42.7213 -42.7213 -42.7175 -42.7175 -42.6834 -42.6834 -42.6797 -42.6797 -42.4229 -42.4229 -42.4227 -42.4227 -6.3094 -6.3094 -6.2280 -6.2280 -0.0804 -0.0804 0.3788 0.3788 1.3360 1.3360 1.4448 1.4448 1.8219 1.8219 2.0560 2.0560 4.9574 4.9574 5.4131 5.4131 6.9253 6.9253 7.2877 7.2877 k = 0.5000 0.2887 0.0936 ( 15468 PWs) bands (ev): -42.7214 -42.7214 -42.7174 -42.7174 -42.6835 -42.6835 -42.6796 -42.6796 -42.4229 -42.4229 -42.4227 -42.4227 -6.3114 -6.3114 -6.2260 -6.2260 -0.0827 -0.0827 0.4039 0.4039 1.3172 1.3172 1.4244 1.4244 1.8028 1.8028 2.0738 2.0738 5.0016 5.0016 5.4426 5.4426 6.8941 6.8941 7.2305 7.2305 k = 0.5000 0.2887 0.0802 ( 15484 PWs) bands (ev): -42.7214 -42.7214 -42.7173 -42.7173 -42.6836 -42.6836 -42.6795 -42.6795 -42.4229 -42.4229 -42.4227 -42.4227 -6.3131 -6.3131 -6.2243 -6.2243 -0.0844 -0.0844 0.4272 0.4272 1.2998 1.2998 1.4071 1.4071 1.7834 1.7834 2.0900 2.0900 5.0459 5.0459 5.4682 5.4682 6.8604 6.8604 7.1803 7.1803 k = 0.5000 0.2887 0.0669 ( 15490 PWs) bands (ev): -42.7215 -42.7215 -42.7173 -42.7173 -42.6837 -42.6837 -42.6794 -42.6794 -42.4229 -42.4229 -42.4227 -42.4227 -6.3145 -6.3145 -6.2228 -6.2228 -0.0856 -0.0856 0.4482 0.4482 1.2843 1.2843 1.3929 1.3929 1.7648 1.7648 2.1044 2.1044 5.0886 5.0886 5.4897 5.4897 6.8257 6.8257 7.1374 7.1374 k = 0.5000 0.2887 0.0535 ( 15496 PWs) bands (ev): -42.7215 -42.7215 -42.7172 -42.7172 -42.6837 -42.6837 -42.6794 -42.6794 -42.4229 -42.4229 -42.4227 -42.4227 -6.3158 -6.3158 -6.2216 -6.2216 -0.0865 -0.0865 0.4663 0.4663 1.2710 1.2710 1.3816 1.3816 1.7479 1.7479 2.1166 2.1166 5.1276 5.1276 5.5073 5.5073 6.7922 6.7922 7.1021 7.1021 k = 0.5000 0.2887 0.0401 ( 15498 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6794 -42.6794 -42.4229 -42.4229 -42.4227 -42.4227 -6.3167 -6.3167 -6.2206 -6.2206 -0.0870 -0.0870 0.4810 0.4810 1.2603 1.2603 1.3730 1.3730 1.7338 1.7338 2.1263 2.1263 5.1610 5.1610 5.5209 5.5209 6.7623 6.7623 7.0744 7.0744 k = 0.5000 0.2887 0.0267 ( 15502 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3174 -6.3174 -6.2199 -6.2199 -0.0873 -0.0873 0.4919 0.4919 1.2524 1.2524 1.3669 1.3669 1.7231 1.7231 2.1333 2.1333 5.1866 5.1866 5.5306 5.5306 6.7387 6.7387 7.0545 7.0545 k = 0.5000 0.2887 0.0134 ( 15488 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3178 -6.3178 -6.2195 -6.2195 -0.0875 -0.0875 0.4986 0.4986 1.2476 1.2476 1.3633 1.3633 1.7164 1.7164 2.1376 2.1376 5.2028 5.2028 5.5364 5.5364 6.7235 6.7235 7.0426 7.0426 k = 0.5000 0.2887-0.0000 ( 15490 PWs) bands (ev): -42.7216 -42.7216 -42.7171 -42.7171 -42.6838 -42.6838 -42.6793 -42.6793 -42.4229 -42.4229 -42.4227 -42.4227 -6.3179 -6.3179 -6.2194 -6.2194 -0.0875 -0.0875 0.5009 0.5009 1.2460 1.2460 1.3621 1.3621 1.7142 1.7142 2.1390 2.1390 5.2084 5.2084 5.5383 5.5383 6.7182 6.7182 7.0386 7.0386 k = 0.3333 0.5774-0.0000 ( 15456 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2219 -6.2219 -6.2219 -6.2219 0.2585 0.2585 0.3960 0.3960 0.4955 0.4955 1.4616 1.4616 1.7033 1.7033 1.7154 1.7154 3.8914 3.8914 7.8598 7.8598 7.8610 7.8610 8.4088 8.4088 k = 0.3333 0.5774 0.0134 ( 15462 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2219 -6.2219 -6.2219 -6.2219 0.2596 0.2596 0.3953 0.3953 0.4947 0.4947 1.4586 1.4586 1.7048 1.7048 1.7166 1.7166 3.8970 3.8970 7.8440 7.8440 7.8452 7.8452 8.3835 8.3835 k = 0.3333 0.5774 0.0267 ( 15474 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2219 -6.2219 -6.2218 -6.2218 0.2628 0.2628 0.3931 0.3931 0.4922 0.4922 1.4498 1.4498 1.7092 1.7092 1.7205 1.7205 3.9137 3.9137 7.7997 7.7997 7.8009 7.8009 8.3144 8.3144 k = 0.3333 0.5774 0.0401 ( 15483 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4227 -42.4227 -6.2218 -6.2218 -6.2218 -6.2218 0.2681 0.2681 0.3895 0.3895 0.4883 0.4883 1.4352 1.4352 1.7163 1.7163 1.7269 1.7269 3.9411 3.9411 7.7343 7.7343 7.7355 7.7355 8.2148 8.2148 k = 0.3333 0.5774 0.0535 ( 15477 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2218 -6.2218 -6.2218 -6.2218 0.2754 0.2754 0.3847 0.3847 0.4830 0.4830 1.4150 1.4150 1.7261 1.7261 1.7359 1.7359 3.9788 3.9788 7.6553 7.6553 7.6565 7.6565 8.0961 8.0961 k = 0.3333 0.5774 0.0669 ( 15465 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2218 -6.2218 -6.2218 -6.2218 0.2849 0.2849 0.3788 0.3788 0.4764 0.4764 1.3897 1.3897 1.7383 1.7383 1.7475 1.7475 4.0264 4.0264 7.5687 7.5687 7.5698 7.5698 7.9657 7.9657 k = 0.3333 0.5774 0.0802 ( 15474 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6815 -42.6815 -42.6815 -42.6815 -42.4230 -42.4230 -42.4227 -42.4227 -6.2217 -6.2217 -6.2217 -6.2217 0.2965 0.2965 0.3720 0.3720 0.4689 0.4689 1.3598 1.3598 1.7525 1.7525 1.7614 1.7614 4.0830 4.0830 7.4786 7.4786 7.4797 7.4797 7.8277 7.8277 k = 0.3333 0.5774 0.0936 ( 15492 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4228 -42.4228 -6.2217 -6.2217 -6.2217 -6.2217 0.3101 0.3101 0.3644 0.3644 0.4606 0.4606 1.3258 1.3258 1.7685 1.7685 1.7772 1.7772 4.1482 4.1482 7.3879 7.3879 7.3889 7.3889 7.6848 7.6848 k = 0.3333 0.5774 0.1070 ( 15489 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4228 -42.4228 -6.2216 -6.2216 -6.2216 -6.2216 0.3256 0.3256 0.3563 0.3563 0.4519 0.4519 1.2884 1.2884 1.7859 1.7859 1.7946 1.7946 4.2211 4.2211 7.2986 7.2986 7.2994 7.2994 7.5389 7.5389 k = 0.3333 0.5774 0.1204 ( 15489 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4228 -42.4228 -6.2216 -6.2216 -6.2216 -6.2216 0.3431 0.3431 0.3479 0.3479 0.4429 0.4429 1.2484 1.2484 1.8042 1.8042 1.8132 1.8132 4.3013 4.3013 7.2120 7.2120 7.2127 7.2127 7.3911 7.3911 k = 0.3333 0.5774 0.1337 ( 15483 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4228 -42.4228 -6.2215 -6.2215 -6.2215 -6.2215 0.3394 0.3394 0.3623 0.3623 0.4341 0.4341 1.2062 1.2062 1.8232 1.8232 1.8324 1.8324 4.3880 4.3880 7.1294 7.1294 7.1298 7.1298 7.2422 7.2422 k = 0.3333 0.5774 0.1471 ( 15477 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4228 -42.4228 -6.2215 -6.2215 -6.2215 -6.2215 0.3309 0.3309 0.3825 0.3825 0.4265 0.4265 1.1624 1.1624 1.8422 1.8422 1.8519 1.8519 4.4807 4.4807 7.0508 7.0508 7.0516 7.0516 7.0938 7.0938 k = 0.3333 0.5774 0.1605 ( 15483 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4230 -42.4230 -42.4228 -42.4228 -6.2214 -6.2214 -6.2214 -6.2214 0.3227 0.3227 0.3992 0.3992 0.4245 0.4245 1.1175 1.1175 1.8611 1.8611 1.8713 1.8713 4.5790 4.5790 6.9410 6.9410 6.9792 6.9792 6.9816 6.9816 k = 0.3333 0.5774 0.1739 ( 15480 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4228 -42.4228 -6.2213 -6.2213 -6.2213 -6.2213 0.3149 0.3149 0.4005 0.4005 0.4403 0.4403 1.0720 1.0720 1.8792 1.8792 1.8899 1.8899 4.6824 4.6824 6.7932 6.7932 6.9129 6.9129 6.9140 6.9140 k = 0.3333 0.5774 0.1872 ( 15495 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4228 -42.4228 -6.2213 -6.2213 -6.2213 -6.2213 0.3077 0.3077 0.3948 0.3948 0.4656 0.4656 1.0263 1.0263 1.8963 1.8963 1.9075 1.9075 4.7904 4.7904 6.6453 6.6453 6.8531 6.8531 6.8539 6.8539 k = 0.3333 0.5774 0.2006 ( 15498 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4228 -42.4228 -6.2212 -6.2212 -6.2212 -6.2212 0.3011 0.3011 0.3885 0.3885 0.4940 0.4940 0.9808 0.9808 1.9120 1.9120 1.9237 1.9237 4.9028 4.9028 6.4985 6.4985 6.8004 6.8004 6.8010 6.8010 k = 0.3333 0.5774 0.2140 ( 15495 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4228 -42.4228 -6.2212 -6.2212 -6.2212 -6.2212 0.2954 0.2954 0.3827 0.3827 0.5244 0.5244 0.9359 0.9359 1.9259 1.9259 1.9380 1.9380 5.0192 5.0192 6.3529 6.3529 6.7551 6.7551 6.7555 6.7555 k = 0.3333 0.5774 0.2274 ( 15489 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4228 -42.4228 -6.2212 -6.2212 -6.2212 -6.2212 0.2906 0.2906 0.3777 0.3777 0.5563 0.5563 0.8919 0.8919 1.9377 1.9377 1.9502 1.9502 5.1394 5.1394 6.2090 6.2090 6.7176 6.7176 6.7179 6.7179 k = 0.3333 0.5774 0.2407 ( 15504 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4228 -42.4228 -6.2211 -6.2211 -6.2211 -6.2211 0.2868 0.2868 0.3737 0.3737 0.5891 0.5891 0.8495 0.8495 1.9472 1.9472 1.9599 1.9599 5.2630 5.2630 6.0670 6.0670 6.6881 6.6881 6.6883 6.6883 k = 0.3333 0.5774 0.2541 ( 15504 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2211 -6.2211 -6.2211 -6.2211 0.2840 0.2840 0.3708 0.3708 0.6219 0.6219 0.8099 0.8099 1.9541 1.9541 1.9671 1.9671 5.3897 5.3897 5.9271 5.9271 6.6669 6.6669 6.6670 6.6670 k = 0.3333 0.5774 0.2675 ( 15498 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2211 -6.2211 -6.2211 -6.2211 0.2823 0.2823 0.3690 0.3690 0.6511 0.6511 0.7765 0.7765 1.9584 1.9584 1.9714 1.9714 5.5191 5.5191 5.7898 5.7898 6.6541 6.6541 6.6542 6.6542 k = 0.3333 0.5774 0.2809 ( 15510 PWs) bands (ev): -42.7192 -42.7192 -42.7192 -42.7192 -42.6816 -42.6816 -42.6816 -42.6816 -42.4229 -42.4229 -42.4229 -42.4229 -6.2211 -6.2211 -6.2211 -6.2211 0.2818 0.2818 0.3684 0.3684 0.6652 0.6652 0.7610 0.7610 1.9598 1.9598 1.9729 1.9729 5.6347 5.6347 5.6716 5.6716 6.6498 6.6498 6.6499 6.6499 Writing output data file Li3As.save init_run : 0.18s CPU 0.26s WALL ( 1 calls) electrons : 191.06s CPU 193.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 191.06s CPU 193.29s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.14s WALL ( 300 calls) cegterg : 158.60s CPU 160.01s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 127.16s CPU 128.34s WALL ( 6080 calls) s_psi : 4.05s CPU 4.13s WALL ( 6080 calls) g_psi : 0.50s CPU 0.50s WALL ( 5398 calls) cdiaghg : 25.72s CPU 26.18s WALL ( 5698 calls) cegterg:over : 8.30s CPU 8.32s WALL ( 5398 calls) cegterg:upda : 9.58s CPU 9.56s WALL ( 5398 calls) cegterg:last : 4.38s CPU 4.36s WALL ( 984 calls) cdiaghg:chol : 1.60s CPU 1.60s WALL ( 5698 calls) cdiaghg:inve : 0.80s CPU 0.76s WALL ( 5698 calls) cdiaghg:para : 1.43s CPU 1.51s WALL ( 11396 calls) Called by h_psi: h_psi:vloc : 116.56s CPU 117.66s WALL ( 6080 calls) h_psi:vnl : 10.10s CPU 10.12s WALL ( 6080 calls) add_vuspsi : 4.20s CPU 4.24s WALL ( 6080 calls) General routines calbec : 5.89s CPU 5.87s WALL ( 6080 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 110.48s CPU 111.61s WALL ( 502612 calls) davcio : 0.34s CPU 0.42s WALL ( 600 calls) Parallel routines fft_scatter : 32.60s CPU 32.70s WALL ( 502627 calls) PWSCF : 3m36.52s CPU 3m48.95s WALL This run was terminated on: 13:13:55 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=