Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56: 1 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: ./Na3N.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 43 35 10 1455 1083 168 Max 45 36 11 1460 1104 175 Sum 1573 1285 379 52429 39417 6103 bravais-lattice index = 14 lattice parameter (alat) = 8.3930 a.u. unit-cell volume = 531.8371 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.393029 celldm(2)= 1.000000 celldm(3)= 1.038704 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 1.038704 ) 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 0.962738 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 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= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0029412 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0029412 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0029412 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0029412 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0029412 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0029412 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0029412 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0029412 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0029412 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0029412 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0029412 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0029412 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0029412 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0029412 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0029412 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0029412 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0029412 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0029412 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0029412 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0029412 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0029412 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0029412 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029412 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0029412 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0029412 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0029412 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0029412 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0029412 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0029412 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0029412 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0029412 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0029412 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0029412 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0029412 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0029412 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029412 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0029412 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0029412 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0029412 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0029412 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0029412 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0029412 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029412 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0029412 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0029412 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0029412 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0029412 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0029412 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0029412 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0029412 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029412 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0029412 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0029412 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0029412 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0029412 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0029412 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0029412 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0029412 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0029412 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0029412 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0029412 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0029412 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0029412 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0029412 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 118) = ( 0.0000000 0.0000000 0.0137534), wk = 0.0029412 k( 119) = ( 0.0000000 0.0000000 0.0275068), wk = 0.0029412 k( 120) = ( 0.0000000 0.0000000 0.0412602), wk = 0.0029412 k( 121) = ( 0.0000000 0.0000000 0.0550136), wk = 0.0029412 k( 122) = ( 0.0000000 0.0000000 0.0687670), wk = 0.0029412 k( 123) = ( 0.0000000 0.0000000 0.0825204), wk = 0.0029412 k( 124) = ( 0.0000000 0.0000000 0.0962738), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.1100272), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.1237806), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.1375340), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.1512874), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.1650408), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.1787942), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.1925476), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.2063010), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.2200544), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.2338078), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.2475612), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.2613146), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.2750681), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.2888215), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.3025748), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.3163283), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.3300817), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.3438351), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.3575885), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.3713419), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.3850953), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.3988487), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.4126021), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.4263555), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.4401089), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.4538623), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.4676157), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.4813691), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.4813691), wk = 0.0029412 k( 154) = ( 0.0121951 0.0070409 0.4813691), wk = 0.0029412 k( 155) = ( 0.0243902 0.0140817 0.4813691), wk = 0.0029412 k( 156) = ( 0.0365854 0.0211226 0.4813691), wk = 0.0029412 k( 157) = ( 0.0487805 0.0281634 0.4813691), wk = 0.0029412 k( 158) = ( 0.0609756 0.0352043 0.4813691), wk = 0.0029412 k( 159) = ( 0.0731707 0.0422451 0.4813691), wk = 0.0029412 k( 160) = ( 0.0853658 0.0492860 0.4813691), wk = 0.0029412 k( 161) = ( 0.0975610 0.0563269 0.4813691), wk = 0.0029412 k( 162) = ( 0.1097561 0.0633677 0.4813691), wk = 0.0029412 k( 163) = ( 0.1219512 0.0704086 0.4813691), wk = 0.0029412 k( 164) = ( 0.1341463 0.0774494 0.4813691), wk = 0.0029412 k( 165) = ( 0.1463415 0.0844903 0.4813691), wk = 0.0029412 k( 166) = ( 0.1585366 0.0915311 0.4813691), wk = 0.0029412 k( 167) = ( 0.1707317 0.0985720 0.4813691), wk = 0.0029412 k( 168) = ( 0.1829268 0.1056129 0.4813691), wk = 0.0029412 k( 169) = ( 0.1951219 0.1126537 0.4813691), wk = 0.0029412 k( 170) = ( 0.2073171 0.1196946 0.4813691), wk = 0.0029412 k( 171) = ( 0.2195122 0.1267354 0.4813691), wk = 0.0029412 k( 172) = ( 0.2317073 0.1337763 0.4813691), wk = 0.0029412 k( 173) = ( 0.2439024 0.1408171 0.4813691), wk = 0.0029412 k( 174) = ( 0.2560976 0.1478580 0.4813691), wk = 0.0029412 k( 175) = ( 0.2682927 0.1548989 0.4813691), wk = 0.0029412 k( 176) = ( 0.2804878 0.1619397 0.4813691), wk = 0.0029412 k( 177) = ( 0.2926829 0.1689806 0.4813691), wk = 0.0029412 k( 178) = ( 0.3048781 0.1760214 0.4813691), wk = 0.0029412 k( 179) = ( 0.3170732 0.1830623 0.4813691), wk = 0.0029412 k( 180) = ( 0.3292683 0.1901031 0.4813691), wk = 0.0029412 k( 181) = ( 0.3414634 0.1971440 0.4813691), wk = 0.0029412 k( 182) = ( 0.3536585 0.2041849 0.4813691), wk = 0.0029412 k( 183) = ( 0.3658537 0.2112257 0.4813691), wk = 0.0029412 k( 184) = ( 0.3780488 0.2182666 0.4813691), wk = 0.0029412 k( 185) = ( 0.3902439 0.2253074 0.4813691), wk = 0.0029412 k( 186) = ( 0.4024390 0.2323483 0.4813691), wk = 0.0029412 k( 187) = ( 0.4146341 0.2393891 0.4813691), wk = 0.0029412 k( 188) = ( 0.4268293 0.2464300 0.4813691), wk = 0.0029412 k( 189) = ( 0.4390244 0.2534708 0.4813691), wk = 0.0029412 k( 190) = ( 0.4512195 0.2605117 0.4813691), wk = 0.0029412 k( 191) = ( 0.4634146 0.2675526 0.4813691), wk = 0.0029412 k( 192) = ( 0.4756098 0.2745934 0.4813691), wk = 0.0029412 k( 193) = ( 0.4878049 0.2816343 0.4813691), wk = 0.0029412 k( 194) = ( 0.5000000 0.2886751 0.4813691), wk = 0.0029412 k( 195) = ( 0.5000000 0.2886751 0.4813691), wk = 0.0029412 k( 196) = ( 0.4930556 0.3007033 0.4813691), wk = 0.0029412 k( 197) = ( 0.4861111 0.3127314 0.4813691), wk = 0.0029412 k( 198) = ( 0.4791667 0.3247595 0.4813691), wk = 0.0029412 k( 199) = ( 0.4722222 0.3367877 0.4813691), wk = 0.0029412 k( 200) = ( 0.4652778 0.3488158 0.4813691), wk = 0.0029412 k( 201) = ( 0.4583333 0.3608439 0.4813691), wk = 0.0029412 k( 202) = ( 0.4513889 0.3728720 0.4813691), wk = 0.0029412 k( 203) = ( 0.4444444 0.3849002 0.4813691), wk = 0.0029412 k( 204) = ( 0.4375000 0.3969283 0.4813691), wk = 0.0029412 k( 205) = ( 0.4305556 0.4089564 0.4813691), wk = 0.0029412 k( 206) = ( 0.4236111 0.4209846 0.4813691), wk = 0.0029412 k( 207) = ( 0.4166667 0.4330127 0.4813691), wk = 0.0029412 k( 208) = ( 0.4097222 0.4450408 0.4813691), wk = 0.0029412 k( 209) = ( 0.4027778 0.4570690 0.4813691), wk = 0.0029412 k( 210) = ( 0.3958333 0.4690971 0.4813691), wk = 0.0029412 k( 211) = ( 0.3888889 0.4811252 0.4813691), wk = 0.0029412 k( 212) = ( 0.3819444 0.4931534 0.4813691), wk = 0.0029412 k( 213) = ( 0.3750000 0.5051815 0.4813691), wk = 0.0029412 k( 214) = ( 0.3680556 0.5172096 0.4813691), wk = 0.0029412 k( 215) = ( 0.3611111 0.5292377 0.4813691), wk = 0.0029412 k( 216) = ( 0.3541667 0.5412659 0.4813691), wk = 0.0029412 k( 217) = ( 0.3472222 0.5532940 0.4813691), wk = 0.0029412 k( 218) = ( 0.3402778 0.5653221 0.4813691), wk = 0.0029412 k( 219) = ( 0.3333333 0.5773503 0.4813691), wk = 0.0029412 k( 220) = ( 0.3333333 0.5773503 0.4813691), wk = 0.0029412 k( 221) = ( 0.3263889 0.5653221 0.4813691), wk = 0.0029412 k( 222) = ( 0.3194444 0.5532940 0.4813691), wk = 0.0029412 k( 223) = ( 0.3125000 0.5412659 0.4813691), wk = 0.0029412 k( 224) = ( 0.3055556 0.5292378 0.4813691), wk = 0.0029412 k( 225) = ( 0.2986111 0.5172096 0.4813691), wk = 0.0029412 k( 226) = ( 0.2916667 0.5051815 0.4813691), wk = 0.0029412 k( 227) = ( 0.2847222 0.4931534 0.4813691), wk = 0.0029412 k( 228) = ( 0.2777778 0.4811252 0.4813691), wk = 0.0029412 k( 229) = ( 0.2708333 0.4690971 0.4813691), wk = 0.0029412 k( 230) = ( 0.2638889 0.4570690 0.4813691), wk = 0.0029412 k( 231) = ( 0.2569444 0.4450408 0.4813691), wk = 0.0029412 k( 232) = ( 0.2500000 0.4330127 0.4813691), wk = 0.0029412 k( 233) = ( 0.2430556 0.4209846 0.4813691), wk = 0.0029412 k( 234) = ( 0.2361111 0.4089564 0.4813691), wk = 0.0029412 k( 235) = ( 0.2291667 0.3969283 0.4813691), wk = 0.0029412 k( 236) = ( 0.2222222 0.3849002 0.4813691), wk = 0.0029412 k( 237) = ( 0.2152778 0.3728721 0.4813691), wk = 0.0029412 k( 238) = ( 0.2083333 0.3608439 0.4813691), wk = 0.0029412 k( 239) = ( 0.2013889 0.3488158 0.4813691), wk = 0.0029412 k( 240) = ( 0.1944444 0.3367876 0.4813691), wk = 0.0029412 k( 241) = ( 0.1875000 0.3247595 0.4813691), wk = 0.0029412 k( 242) = ( 0.1805556 0.3127314 0.4813691), wk = 0.0029412 k( 243) = ( 0.1736111 0.3007033 0.4813691), wk = 0.0029412 k( 244) = ( 0.1666667 0.2886751 0.4813691), wk = 0.0029412 k( 245) = ( 0.1597222 0.2766470 0.4813691), wk = 0.0029412 k( 246) = ( 0.1527778 0.2646189 0.4813691), wk = 0.0029412 k( 247) = ( 0.1458333 0.2525907 0.4813691), wk = 0.0029412 k( 248) = ( 0.1388889 0.2405626 0.4813691), wk = 0.0029412 k( 249) = ( 0.1319444 0.2285345 0.4813691), wk = 0.0029412 k( 250) = ( 0.1250000 0.2165064 0.4813691), wk = 0.0029412 k( 251) = ( 0.1180556 0.2044782 0.4813691), wk = 0.0029412 k( 252) = ( 0.1111111 0.1924501 0.4813691), wk = 0.0029412 k( 253) = ( 0.1041667 0.1804220 0.4813691), wk = 0.0029412 k( 254) = ( 0.0972222 0.1683938 0.4813691), wk = 0.0029412 k( 255) = ( 0.0902778 0.1563657 0.4813691), wk = 0.0029412 k( 256) = ( 0.0833333 0.1443376 0.4813691), wk = 0.0029412 k( 257) = ( 0.0763889 0.1323094 0.4813691), wk = 0.0029412 k( 258) = ( 0.0694444 0.1202813 0.4813691), wk = 0.0029412 k( 259) = ( 0.0625000 0.1082532 0.4813691), wk = 0.0029412 k( 260) = ( 0.0555556 0.0962251 0.4813691), wk = 0.0029412 k( 261) = ( 0.0486111 0.0841969 0.4813691), wk = 0.0029412 k( 262) = ( 0.0416667 0.0721688 0.4813691), wk = 0.0029412 k( 263) = ( 0.0347222 0.0601406 0.4813691), wk = 0.0029412 k( 264) = ( 0.0277778 0.0481125 0.4813691), wk = 0.0029412 k( 265) = ( 0.0208333 0.0360844 0.4813691), wk = 0.0029412 k( 266) = ( 0.0138889 0.0240563 0.4813691), wk = 0.0029412 k( 267) = ( 0.0069444 0.0120281 0.4813691), wk = 0.0029412 k( 268) = ( 0.0000000 0.0000000 0.4813691), wk = 0.0029412 k( 269) = ( 0.5000000 0.2886751 0.4813691), wk = 0.0029412 k( 270) = ( 0.5000000 0.2886751 0.4676157), wk = 0.0029412 k( 271) = ( 0.5000000 0.2886751 0.4538623), wk = 0.0029412 k( 272) = ( 0.5000000 0.2886751 0.4401089), wk = 0.0029412 k( 273) = ( 0.5000000 0.2886751 0.4263555), wk = 0.0029412 k( 274) = ( 0.5000000 0.2886751 0.4126021), wk = 0.0029412 k( 275) = ( 0.5000000 0.2886751 0.3988487), wk = 0.0029412 k( 276) = ( 0.5000000 0.2886751 0.3850953), wk = 0.0029412 k( 277) = ( 0.5000000 0.2886751 0.3713419), wk = 0.0029412 k( 278) = ( 0.5000000 0.2886751 0.3575885), wk = 0.0029412 k( 279) = ( 0.5000000 0.2886751 0.3438351), wk = 0.0029412 k( 280) = ( 0.5000000 0.2886751 0.3300817), wk = 0.0029412 k( 281) = ( 0.5000000 0.2886751 0.3163283), wk = 0.0029412 k( 282) = ( 0.5000000 0.2886751 0.3025748), wk = 0.0029412 k( 283) = ( 0.5000000 0.2886751 0.2888215), wk = 0.0029412 k( 284) = ( 0.5000000 0.2886751 0.2750681), wk = 0.0029412 k( 285) = ( 0.5000000 0.2886751 0.2613146), wk = 0.0029412 k( 286) = ( 0.5000000 0.2886751 0.2475612), wk = 0.0029412 k( 287) = ( 0.5000000 0.2886751 0.2338078), wk = 0.0029412 k( 288) = ( 0.5000000 0.2886751 0.2200544), wk = 0.0029412 k( 289) = ( 0.5000000 0.2886751 0.2063010), wk = 0.0029412 k( 290) = ( 0.5000000 0.2886751 0.1925476), wk = 0.0029412 k( 291) = ( 0.5000000 0.2886751 0.1787942), wk = 0.0029412 k( 292) = ( 0.5000000 0.2886751 0.1650408), wk = 0.0029412 k( 293) = ( 0.5000000 0.2886751 0.1512874), wk = 0.0029412 k( 294) = ( 0.5000000 0.2886751 0.1375340), wk = 0.0029412 k( 295) = ( 0.5000000 0.2886751 0.1237806), wk = 0.0029412 k( 296) = ( 0.5000000 0.2886751 0.1100272), wk = 0.0029412 k( 297) = ( 0.5000000 0.2886751 0.0962738), wk = 0.0029412 k( 298) = ( 0.5000000 0.2886751 0.0825204), wk = 0.0029412 k( 299) = ( 0.5000000 0.2886751 0.0687670), wk = 0.0029412 k( 300) = ( 0.5000000 0.2886751 0.0550136), wk = 0.0029412 k( 301) = ( 0.5000000 0.2886751 0.0412602), wk = 0.0029412 k( 302) = ( 0.5000000 0.2886751 0.0275068), wk = 0.0029412 k( 303) = ( 0.5000000 0.2886751 0.0137534), wk = 0.0029412 k( 304) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 305) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 306) = ( 0.3333333 0.5773503 0.0137534), wk = 0.0029412 k( 307) = ( 0.3333333 0.5773503 0.0275068), wk = 0.0029412 k( 308) = ( 0.3333333 0.5773503 0.0412602), wk = 0.0029412 k( 309) = ( 0.3333333 0.5773503 0.0550136), wk = 0.0029412 k( 310) = ( 0.3333333 0.5773503 0.0687670), wk = 0.0029412 k( 311) = ( 0.3333333 0.5773503 0.0825204), wk = 0.0029412 k( 312) = ( 0.3333333 0.5773503 0.0962738), wk = 0.0029412 k( 313) = ( 0.3333333 0.5773503 0.1100272), wk = 0.0029412 k( 314) = ( 0.3333333 0.5773503 0.1237806), wk = 0.0029412 k( 315) = ( 0.3333333 0.5773503 0.1375340), wk = 0.0029412 k( 316) = ( 0.3333333 0.5773503 0.1512874), wk = 0.0029412 k( 317) = ( 0.3333333 0.5773503 0.1650408), wk = 0.0029412 k( 318) = ( 0.3333333 0.5773503 0.1787942), wk = 0.0029412 k( 319) = ( 0.3333333 0.5773503 0.1925476), wk = 0.0029412 k( 320) = ( 0.3333333 0.5773503 0.2063010), wk = 0.0029412 k( 321) = ( 0.3333333 0.5773503 0.2200544), wk = 0.0029412 k( 322) = ( 0.3333333 0.5773503 0.2338078), wk = 0.0029412 k( 323) = ( 0.3333333 0.5773503 0.2475612), wk = 0.0029412 k( 324) = ( 0.3333333 0.5773503 0.2613146), wk = 0.0029412 k( 325) = ( 0.3333333 0.5773503 0.2750681), wk = 0.0029412 k( 326) = ( 0.3333333 0.5773503 0.2888215), wk = 0.0029412 k( 327) = ( 0.3333333 0.5773503 0.3025748), wk = 0.0029412 k( 328) = ( 0.3333333 0.5773503 0.3163283), wk = 0.0029412 k( 329) = ( 0.3333333 0.5773503 0.3300817), wk = 0.0029412 k( 330) = ( 0.3333333 0.5773503 0.3438351), wk = 0.0029412 k( 331) = ( 0.3333333 0.5773503 0.3575885), wk = 0.0029412 k( 332) = ( 0.3333333 0.5773503 0.3713419), wk = 0.0029412 k( 333) = ( 0.3333333 0.5773503 0.3850953), wk = 0.0029412 k( 334) = ( 0.3333333 0.5773503 0.3988487), wk = 0.0029412 k( 335) = ( 0.3333333 0.5773503 0.4126021), wk = 0.0029412 k( 336) = ( 0.3333333 0.5773503 0.4263555), wk = 0.0029412 k( 337) = ( 0.3333333 0.5773503 0.4401089), wk = 0.0029412 k( 338) = ( 0.3333333 0.5773503 0.4538623), wk = 0.0029412 k( 339) = ( 0.3333333 0.5773503 0.4676157), wk = 0.0029412 k( 340) = ( 0.3333333 0.5773503 0.4813691), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0029412 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0029412 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0029412 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0029412 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0029412 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0029412 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0029412 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0029412 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0029412 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0029412 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0029412 k( 29) = ( 0.3414634 -0.0000000 0.0000000), wk = 0.0029412 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0029412 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0029412 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0029412 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0029412 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0029412 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0029412 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0029412 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0029412 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0029412 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0029412 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0029412 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0029412 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0029412 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0029412 k( 61) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0029412 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0029412 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0029412 k( 65) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 69) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0029412 k( 70) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0029412 k( 71) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0029412 k( 72) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0029412 k( 73) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0029412 k( 74) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0029412 k( 75) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0029412 k( 76) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029412 k( 77) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0029412 k( 78) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0029412 k( 79) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0029412 k( 80) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029412 k( 81) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0029412 k( 82) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029412 k( 85) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0029412 k( 87) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0029412 k( 88) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0029412 k( 89) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0029412 k( 90) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0029412 k( 91) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0029412 k( 92) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029412 k( 93) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0029412 k( 94) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0029412 k( 95) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0029412 k( 96) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0029412 k( 97) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0029412 k( 98) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0029412 k( 99) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0029412 k( 100) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029412 k( 101) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0029412 k( 102) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0029412 k( 103) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0029412 k( 104) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0029412 k( 105) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0029412 k( 106) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0029412 k( 107) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0029412 k( 108) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029412 k( 109) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0029412 k( 110) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0029412 k( 111) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0029412 k( 112) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0029412 k( 113) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0029412 k( 114) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0029412 k( 115) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0029412 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 118) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0029412 k( 119) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0029412 k( 120) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0029412 k( 121) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0029412 k( 122) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029412 k( 123) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0029412 k( 124) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 154) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0029412 k( 155) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0029412 k( 156) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0029412 k( 157) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0029412 k( 158) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0029412 k( 159) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0029412 k( 160) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0029412 k( 161) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0029412 k( 162) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0029412 k( 163) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0029412 k( 164) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0029412 k( 165) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0029412 k( 166) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0029412 k( 167) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0029412 k( 168) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0029412 k( 169) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0029412 k( 171) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0029412 k( 172) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0029412 k( 173) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0029412 k( 174) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0029412 k( 175) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0029412 k( 176) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0029412 k( 179) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0029412 k( 180) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0029412 k( 181) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0029412 k( 182) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0029412 k( 183) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0029412 k( 185) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0029412 k( 187) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0029412 k( 188) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0029412 k( 189) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0029412 k( 190) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0029412 k( 191) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0029412 k( 192) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0029412 k( 193) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 196) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0029412 k( 197) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0029412 k( 198) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0029412 k( 199) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0029412 k( 200) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0029412 k( 201) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029412 k( 202) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0029412 k( 203) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0029412 k( 204) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0029412 k( 205) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0029412 k( 206) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0029412 k( 207) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029412 k( 208) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0029412 k( 209) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0029412 k( 210) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0029412 k( 211) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0029412 k( 212) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0029412 k( 213) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029412 k( 214) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0029412 k( 215) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0029412 k( 216) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0029412 k( 217) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0029412 k( 218) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0029412 k( 219) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 220) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 221) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0029412 k( 222) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0029412 k( 223) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0029412 k( 224) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0029412 k( 225) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0029412 k( 226) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0029412 k( 227) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0029412 k( 228) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029412 k( 229) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0029412 k( 230) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0029412 k( 231) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0029412 k( 232) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029412 k( 233) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0029412 k( 234) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0029412 k( 235) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0029412 k( 236) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029412 k( 237) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0029412 k( 238) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0029412 k( 239) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0029412 k( 240) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0029412 k( 241) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0029412 k( 242) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0029412 k( 243) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0029412 k( 244) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029412 k( 245) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0029412 k( 246) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0029412 k( 247) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0029412 k( 248) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0029412 k( 249) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0029412 k( 250) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0029412 k( 251) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0029412 k( 252) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029412 k( 253) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0029412 k( 254) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0029412 k( 255) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0029412 k( 256) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0029412 k( 257) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0029412 k( 258) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0029412 k( 259) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0029412 k( 260) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029412 k( 261) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0029412 k( 262) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0029412 k( 263) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0029412 k( 264) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0029412 k( 265) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0029412 k( 266) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0029412 k( 267) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0029412 k( 268) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 269) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 270) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0029412 k( 271) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0029412 k( 272) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0029412 k( 273) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0029412 k( 274) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0029412 k( 275) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0029412 k( 276) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029412 k( 277) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0029412 k( 278) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0029412 k( 279) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0029412 k( 280) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0029412 k( 281) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0029412 k( 282) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0029412 k( 283) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029412 k( 284) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0029412 k( 285) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0029412 k( 286) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0029412 k( 287) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0029412 k( 288) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0029412 k( 289) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0029412 k( 290) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029412 k( 291) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0029412 k( 292) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0029412 k( 293) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0029412 k( 294) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0029412 k( 295) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0029412 k( 296) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0029412 k( 297) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029412 k( 298) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0029412 k( 299) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0029412 k( 300) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0029412 k( 301) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0029412 k( 302) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0029412 k( 303) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0029412 k( 304) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 305) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 306) = ( 0.3333333 0.3333333 0.0142857), wk = 0.0029412 k( 307) = ( 0.3333333 0.3333333 0.0285714), wk = 0.0029412 k( 308) = ( 0.3333333 0.3333333 0.0428571), wk = 0.0029412 k( 309) = ( 0.3333333 0.3333333 0.0571429), wk = 0.0029412 k( 310) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0029412 k( 311) = ( 0.3333333 0.3333333 0.0857143), wk = 0.0029412 k( 312) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029412 k( 313) = ( 0.3333333 0.3333333 0.1142857), wk = 0.0029412 k( 314) = ( 0.3333333 0.3333333 0.1285714), wk = 0.0029412 k( 315) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0029412 k( 316) = ( 0.3333333 0.3333333 0.1571429), wk = 0.0029412 k( 317) = ( 0.3333333 0.3333333 0.1714286), wk = 0.0029412 k( 318) = ( 0.3333333 0.3333333 0.1857143), wk = 0.0029412 k( 319) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029412 k( 320) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0029412 k( 321) = ( 0.3333333 0.3333333 0.2285714), wk = 0.0029412 k( 322) = ( 0.3333333 0.3333333 0.2428571), wk = 0.0029412 k( 323) = ( 0.3333333 0.3333333 0.2571429), wk = 0.0029412 k( 324) = ( 0.3333333 0.3333333 0.2714286), wk = 0.0029412 k( 325) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0029412 k( 326) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029412 k( 327) = ( 0.3333333 0.3333333 0.3142857), wk = 0.0029412 k( 328) = ( 0.3333333 0.3333333 0.3285714), wk = 0.0029412 k( 329) = ( 0.3333333 0.3333333 0.3428571), wk = 0.0029412 k( 330) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0029412 k( 331) = ( 0.3333333 0.3333333 0.3714286), wk = 0.0029412 k( 332) = ( 0.3333333 0.3333333 0.3857143), wk = 0.0029412 k( 333) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029412 k( 334) = ( 0.3333333 0.3333333 0.4142857), wk = 0.0029412 k( 335) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0029412 k( 336) = ( 0.3333333 0.3333333 0.4428571), wk = 0.0029412 k( 337) = ( 0.3333333 0.3333333 0.4571429), wk = 0.0029412 k( 338) = ( 0.3333333 0.3333333 0.4714286), wk = 0.0029412 k( 339) = ( 0.3333333 0.3333333 0.4857143), wk = 0.0029412 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 Dense grid: 52429 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 39417 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 284, 40) NL pseudopotentials 0.12 Mb ( 142, 56) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1456) G-vector shells 0.01 Mb ( 696) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 284, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.07 Mb ( 56, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Na3N.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time 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to now is 79.6 secs Computing kpt #: 308 total cpu time spent up to now is 79.9 secs Computing kpt #: 309 total cpu time spent up to now is 80.1 secs Computing kpt #: 310 total cpu time spent up to now is 80.4 secs Computing kpt #: 311 total cpu time spent up to now is 80.7 secs Computing kpt #: 312 total cpu time spent up to now is 80.9 secs Computing kpt #: 313 total cpu time spent up to now is 81.2 secs Computing kpt #: 314 total cpu time spent up to now is 81.5 secs Computing kpt #: 315 total cpu time spent up to now is 81.8 secs Computing kpt #: 316 total cpu time spent up to now is 82.1 secs Computing kpt #: 317 total cpu time spent up to now is 82.3 secs Computing kpt #: 318 total cpu time spent up to now is 82.6 secs Computing kpt #: 319 total cpu time spent up to now is 82.9 secs Computing kpt #: 320 total cpu time spent up to now is 83.2 secs Computing kpt #: 321 total cpu time spent up to now is 83.5 secs Computing kpt #: 322 total cpu time spent up to now is 83.7 secs Computing kpt #: 323 total cpu time spent up to now is 84.0 secs Computing kpt #: 324 total cpu time spent up to now is 84.3 secs Computing kpt #: 325 total cpu time spent up to now is 84.6 secs Computing kpt #: 326 total cpu time spent up to now is 84.9 secs Computing kpt #: 327 total cpu time spent up to now is 85.1 secs Computing kpt #: 328 total cpu time spent up to now is 85.4 secs Computing kpt #: 329 total cpu time spent up to now is 85.7 secs Computing kpt #: 330 total cpu time spent up to now is 86.0 secs Computing kpt #: 331 total cpu time spent up to now is 86.2 secs Computing kpt #: 332 total cpu time spent up to now is 86.5 secs Computing kpt #: 333 total cpu time spent up to now is 86.8 secs Computing kpt #: 334 total cpu time spent up to now is 87.0 secs Computing kpt #: 335 total cpu time spent up to now is 87.3 secs Computing kpt #: 336 total cpu time spent up to now is 87.6 secs Computing kpt #: 337 total cpu time spent up to now is 87.8 secs Computing kpt #: 338 total cpu time spent up to now is 88.1 secs Computing kpt #: 339 total cpu time spent up to now is 88.4 secs Computing kpt #: 340 total cpu time spent up to now is 88.6 secs ethr = 3.13E-08, avg # of iterations = 14.9 total cpu time spent up to now is 88.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2926 -8.2926 2.0725 2.0725 2.5731 2.5731 2.7190 2.7190 2.7303 2.7303 9.4081 9.4081 9.5541 9.5541 9.5643 9.5643 k = 0.0122 0.0070-0.0000 ( 4871 PWs) bands (ev): -48.8675 -48.8675 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8915 -20.8915 -20.8485 -20.8485 -20.7274 -20.7274 -20.6172 -20.6172 -20.5259 -20.5259 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2924 -8.2924 2.0685 2.0685 2.5735 2.5735 2.7207 2.7207 2.7330 2.7330 9.4075 9.4075 9.5424 9.5424 9.5613 9.5613 k = 0.0244 0.0141-0.0000 ( 4871 PWs) bands (ev): -48.8674 -48.8674 -48.7739 -48.7739 -48.0869 -48.0869 -20.9946 -20.9946 -20.8916 -20.8916 -20.8484 -20.8484 -20.7275 -20.7275 -20.6171 -20.6171 -20.5260 -20.5260 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2916 -8.2916 2.0569 2.0569 2.5745 2.5745 2.7221 2.7221 2.7445 2.7445 9.4057 9.4057 9.4993 9.4993 9.5618 9.5618 k = 0.0366 0.0211-0.0000 ( 4883 PWs) bands (ev): -48.8673 -48.8673 -48.7741 -48.7741 -48.0869 -48.0869 -20.9945 -20.9945 -20.8919 -20.8919 -20.8481 -20.8481 -20.7277 -20.7277 -20.6171 -20.6171 -20.5262 -20.5262 -20.1903 -20.1903 -20.0472 -20.0472 -19.8827 -19.8827 -8.2904 -8.2904 2.0385 2.0385 2.5762 2.5762 2.7216 2.7216 2.7656 2.7656 9.4027 9.4027 9.4308 9.4308 9.5642 9.5642 k = 0.0488 0.0282-0.0000 ( 4885 PWs) bands (ev): -48.8671 -48.8671 -48.7743 -48.7743 -48.0869 -48.0869 -20.9943 -20.9943 -20.8923 -20.8923 -20.8478 -20.8478 -20.7280 -20.7280 -20.6169 -20.6169 -20.5265 -20.5265 -20.1904 -20.1904 -20.0472 -20.0472 -19.8827 -19.8827 -8.2888 -8.2888 2.0145 2.0145 2.5786 2.5786 2.7200 2.7200 2.7941 2.7941 9.3430 9.3430 9.3985 9.3985 9.5677 9.5677 k = 0.0610 0.0352-0.0000 ( 4889 PWs) bands (ev): -48.8668 -48.8668 -48.7746 -48.7746 -48.0869 -48.0869 -20.9941 -20.9941 -20.8927 -20.8927 -20.8473 -20.8473 -20.7283 -20.7283 -20.6168 -20.6168 -20.5268 -20.5268 -20.1904 -20.1904 -20.0473 -20.0473 -19.8828 -19.8828 -8.2867 -8.2867 1.9862 1.9862 2.5816 2.5816 2.7178 2.7178 2.8286 2.8286 9.2410 9.2410 9.3931 9.3931 9.5723 9.5723 k = 0.0732 0.0422-0.0000 ( 4895 PWs) bands (ev): -48.8665 -48.8665 -48.7749 -48.7749 -48.0869 -48.0869 -20.9938 -20.9938 -20.8933 -20.8933 -20.8467 -20.8467 -20.7287 -20.7287 -20.6166 -20.6166 -20.5272 -20.5272 -20.1905 -20.1905 -20.0474 -20.0474 -19.8828 -19.8828 -8.2841 -8.2841 1.9547 1.9547 2.5853 2.5853 2.7150 2.7150 2.8679 2.8679 9.1290 9.1290 9.3866 9.3866 9.5777 9.5777 k = 0.0854 0.0493-0.0000 ( 4895 PWs) bands (ev): -48.8661 -48.8661 -48.7753 -48.7753 -48.0869 -48.0869 -20.9935 -20.9935 -20.8939 -20.8939 -20.8460 -20.8460 -20.7292 -20.7292 -20.6163 -20.6163 -20.5276 -20.5276 -20.1906 -20.1906 -20.0475 -20.0475 -19.8828 -19.8828 -8.2811 -8.2811 1.9208 1.9208 2.5896 2.5896 2.7118 2.7118 2.9110 2.9110 9.0102 9.0102 9.3790 9.3790 9.5840 9.5840 k = 0.0976 0.0563-0.0000 ( 4903 PWs) bands (ev): -48.8657 -48.8657 -48.7758 -48.7758 -48.0869 -48.0869 -20.9932 -20.9932 -20.8947 -20.8947 -20.8452 -20.8452 -20.7297 -20.7297 -20.6161 -20.6161 -20.5281 -20.5281 -20.1907 -20.1907 -20.0476 -20.0476 -19.8829 -19.8829 -8.2777 -8.2777 1.8853 1.8853 2.5945 2.5945 2.7081 2.7081 2.9573 2.9573 8.8867 8.8867 9.3704 9.3704 9.5910 9.5910 k = 0.1098 0.0634-0.0000 ( 4911 PWs) bands (ev): -48.8652 -48.8652 -48.7763 -48.7763 -48.0869 -48.0869 -20.9928 -20.9928 -20.8955 -20.8955 -20.8444 -20.8444 -20.7303 -20.7303 -20.6159 -20.6159 -20.5286 -20.5286 -20.1908 -20.1908 -20.0477 -20.0477 -19.8829 -19.8829 -8.2739 -8.2739 1.8487 1.8487 2.5999 2.5999 2.7039 2.7039 3.0062 3.0062 8.7603 8.7603 9.3607 9.3607 9.5987 9.5987 k = 0.1220 0.0704-0.0000 ( 4919 PWs) bands (ev): -48.8646 -48.8646 -48.7768 -48.7768 -48.0869 -48.0869 -20.9925 -20.9925 -20.8964 -20.8964 -20.8434 -20.8434 -20.7310 -20.7310 -20.6157 -20.6157 -20.5291 -20.5291 -20.1909 -20.1909 -20.0478 -20.0478 -19.8829 -19.8829 -8.2697 -8.2697 1.8116 1.8116 2.6060 2.6060 2.6994 2.6994 3.0573 3.0573 8.6322 8.6322 9.3500 9.3500 9.6069 9.6069 k = 0.1341 0.0774-0.0000 ( 4923 PWs) bands (ev): -48.8640 -48.8640 -48.7775 -48.7775 -48.0869 -48.0869 -20.9920 -20.9920 -20.8973 -20.8973 -20.8424 -20.8424 -20.7317 -20.7317 -20.6155 -20.6155 -20.5296 -20.5296 -20.1910 -20.1910 -20.0479 -20.0479 -19.8830 -19.8830 -8.2652 -8.2652 1.7742 1.7742 2.6126 2.6126 2.6945 2.6945 3.1103 3.1103 8.5034 8.5034 9.3384 9.3384 9.6155 9.6155 k = 0.1463 0.0845-0.0000 ( 4921 PWs) bands (ev): -48.8633 -48.8633 -48.7781 -48.7781 -48.0869 -48.0869 -20.9916 -20.9916 -20.8982 -20.8982 -20.8412 -20.8412 -20.7324 -20.7324 -20.6154 -20.6154 -20.5301 -20.5301 -20.1911 -20.1911 -20.0480 -20.0480 -19.8830 -19.8830 -8.2603 -8.2603 1.7368 1.7368 2.6196 2.6196 2.6892 2.6892 3.1650 3.1650 8.3745 8.3745 9.3259 9.3259 9.6245 9.6245 k = 0.1585 0.0915-0.0000 ( 4925 PWs) bands (ev): -48.8626 -48.8626 -48.7789 -48.7789 -48.0869 -48.0869 -20.9910 -20.9910 -20.8992 -20.8992 -20.8399 -20.8399 -20.7333 -20.7333 -20.6153 -20.6153 -20.5306 -20.5306 -20.1912 -20.1912 -20.0482 -20.0482 -19.8830 -19.8830 -8.2552 -8.2552 1.6997 1.6997 2.6271 2.6271 2.6837 2.6837 3.2211 3.2211 8.2461 8.2461 9.3126 9.3126 9.6337 9.6337 k = 0.1707 0.0986-0.0000 ( 4913 PWs) bands (ev): -48.8618 -48.8618 -48.7796 -48.7796 -48.0869 -48.0869 -20.9905 -20.9905 -20.9002 -20.9002 -20.8384 -20.8384 -20.7341 -20.7341 -20.6153 -20.6153 -20.5311 -20.5311 -20.1913 -20.1913 -20.0482 -20.0482 -19.8830 -19.8830 -8.2498 -8.2498 1.6630 1.6630 2.6351 2.6351 2.6780 2.6780 3.2785 3.2785 8.1185 8.1185 9.2986 9.2986 9.6430 9.6430 k = 0.1829 0.1056-0.0000 ( 4911 PWs) bands (ev): -48.8610 -48.8610 -48.7805 -48.7805 -48.0869 -48.0869 -20.9900 -20.9900 -20.9012 -20.9012 -20.8370 -20.8370 -20.7350 -20.7350 -20.6153 -20.6153 -20.5315 -20.5315 -20.1914 -20.1914 -20.0484 -20.0484 -19.8831 -19.8831 -8.2442 -8.2442 1.6269 1.6269 2.6433 2.6433 2.6720 2.6720 3.3371 3.3371 7.9921 7.9921 9.2839 9.2839 9.6524 9.6524 k = 0.1951 0.1127-0.0000 ( 4921 PWs) bands (ev): -48.8601 -48.8601 -48.7813 -48.7813 -48.0869 -48.0869 -20.9895 -20.9895 -20.9023 -20.9023 -20.8354 -20.8354 -20.7360 -20.7360 -20.6155 -20.6155 -20.5320 -20.5320 -20.1915 -20.1915 -20.0485 -20.0485 -19.8831 -19.8831 -8.2383 -8.2383 1.5915 1.5915 2.6517 2.6517 2.6662 2.6662 3.3968 3.3968 7.8671 7.8671 9.2686 9.2686 9.6617 9.6617 k = 0.2073 0.1197-0.0000 ( 4921 PWs) bands (ev): -48.8592 -48.8592 -48.7823 -48.7823 -48.0869 -48.0869 -20.9890 -20.9890 -20.9033 -20.9033 -20.8338 -20.8338 -20.7371 -20.7371 -20.6158 -20.6158 -20.5323 -20.5323 -20.1916 -20.1916 -20.0487 -20.0487 -19.8832 -19.8832 -8.2323 -8.2323 1.5570 1.5570 2.6571 2.6571 2.6634 2.6634 3.4575 3.4575 7.7438 7.7438 9.2527 9.2527 9.6708 9.6708 k = 0.2195 0.1267-0.0000 ( 4925 PWs) bands (ev): -48.8582 -48.8582 -48.7832 -48.7832 -48.0869 -48.0869 -20.9885 -20.9885 -20.9043 -20.9043 -20.8321 -20.8321 -20.7382 -20.7382 -20.6161 -20.6161 -20.5326 -20.5326 -20.1918 -20.1918 -20.0488 -20.0488 -19.8832 -19.8832 -8.2262 -8.2262 1.5234 1.5234 2.6522 2.6522 2.6710 2.6710 3.5192 3.5192 7.6222 7.6222 9.2364 9.2364 9.6797 9.6797 k = 0.2317 0.1338-0.0000 ( 4933 PWs) bands (ev): -48.8573 -48.8573 -48.7842 -48.7842 -48.0869 -48.0869 -20.9880 -20.9880 -20.9054 -20.9054 -20.8303 -20.8303 -20.7394 -20.7394 -20.6167 -20.6167 -20.5329 -20.5329 -20.1919 -20.1919 -20.0490 -20.0490 -19.8832 -19.8832 -8.2200 -8.2200 1.4908 1.4908 2.6459 2.6459 2.6803 2.6803 3.5818 3.5818 7.5026 7.5026 9.2197 9.2197 9.6882 9.6882 k = 0.2439 0.1408-0.0000 ( 4937 PWs) bands (ev): -48.8562 -48.8562 -48.7853 -48.7853 -48.0869 -48.0869 -20.9875 -20.9875 -20.9064 -20.9064 -20.8284 -20.8284 -20.7406 -20.7406 -20.6172 -20.6172 -20.5330 -20.5330 -20.1920 -20.1920 -20.0491 -20.0491 -19.8833 -19.8833 -8.2137 -8.2137 1.4593 1.4593 2.6395 2.6395 2.6898 2.6898 3.6452 3.6452 7.3850 7.3850 9.2027 9.2027 9.6964 9.6964 k = 0.2561 0.1479-0.0000 ( 4929 PWs) bands (ev): -48.8552 -48.8552 -48.7863 -48.7863 -48.0869 -48.0869 -20.9871 -20.9871 -20.9073 -20.9073 -20.8264 -20.8264 -20.7418 -20.7418 -20.6178 -20.6178 -20.5330 -20.5330 -20.1921 -20.1921 -20.0492 -20.0492 -19.8833 -19.8833 -8.2074 -8.2074 1.4289 1.4289 2.6330 2.6330 2.6994 2.6994 3.7094 3.7094 7.2694 7.2694 9.1856 9.1856 9.7042 9.7042 k = 0.2683 0.1549-0.0000 ( 4929 PWs) bands (ev): -48.8540 -48.8540 -48.7874 -48.7874 -48.0869 -48.0869 -20.9867 -20.9867 -20.9082 -20.9082 -20.8244 -20.8244 -20.7431 -20.7431 -20.6186 -20.6186 -20.5330 -20.5330 -20.1922 -20.1922 -20.0494 -20.0494 -19.8834 -19.8834 -8.2012 -8.2012 1.3998 1.3998 2.6265 2.6265 2.7091 2.7091 3.7743 3.7743 7.1561 7.1561 9.1683 9.1683 9.7115 9.7115 k = 0.2805 0.1619-0.0000 ( 4931 PWs) bands (ev): -48.8529 -48.8529 -48.7886 -48.7886 -48.0869 -48.0869 -20.9863 -20.9863 -20.9091 -20.9091 -20.8223 -20.8223 -20.7445 -20.7445 -20.6194 -20.6194 -20.5330 -20.5330 -20.1923 -20.1923 -20.0495 -20.0495 -19.8834 -19.8834 -8.1949 -8.1949 1.3719 1.3719 2.6201 2.6201 2.7188 2.7188 3.8399 3.8399 7.0450 7.0450 9.1510 9.1510 9.7184 9.7184 k = 0.2927 0.1690-0.0000 ( 4935 PWs) bands (ev): -48.8518 -48.8518 -48.7897 -48.7897 -48.0869 -48.0869 -20.9859 -20.9859 -20.9099 -20.9099 -20.8202 -20.8202 -20.7460 -20.7460 -20.6204 -20.6204 -20.5329 -20.5329 -20.1925 -20.1925 -20.0496 -20.0496 -19.8835 -19.8835 -8.1888 -8.1888 1.3453 1.3453 2.6139 2.6139 2.7284 2.7284 3.9061 3.9061 6.9361 6.9361 9.1338 9.1338 9.7247 9.7247 k = 0.3049 0.1760-0.0000 ( 4939 PWs) bands (ev): -48.8506 -48.8506 -48.7909 -48.7909 -48.0869 -48.0869 -20.9856 -20.9856 -20.9107 -20.9107 -20.8180 -20.8180 -20.7475 -20.7475 -20.6214 -20.6214 -20.5328 -20.5328 -20.1926 -20.1926 -20.0498 -20.0498 -19.8835 -19.8835 -8.1828 -8.1828 1.3201 1.3201 2.6078 2.6078 2.7379 2.7379 3.9728 3.9728 6.8296 6.8296 9.1169 9.1169 9.7306 9.7306 k = 0.3171 0.1831-0.0000 ( 4945 PWs) bands (ev): -48.8494 -48.8494 -48.7921 -48.7921 -48.0869 -48.0869 -20.9853 -20.9853 -20.9114 -20.9114 -20.8157 -20.8157 -20.7491 -20.7491 -20.6224 -20.6224 -20.5325 -20.5325 -20.1927 -20.1927 -20.0499 -20.0499 -19.8836 -19.8836 -8.1770 -8.1770 1.2963 1.2963 2.6019 2.6019 2.7472 2.7472 4.0400 4.0400 6.7254 6.7254 9.1002 9.1002 9.7359 9.7359 k = 0.3293 0.1901-0.0000 ( 4935 PWs) bands (ev): -48.8482 -48.8482 -48.7933 -48.7933 -48.0869 -48.0869 -20.9850 -20.9850 -20.9120 -20.9120 -20.8134 -20.8134 -20.7506 -20.7506 -20.6234 -20.6234 -20.5323 -20.5323 -20.1927 -20.1927 -20.0500 -20.0500 -19.8836 -19.8836 -8.1713 -8.1713 1.2739 1.2739 2.5962 2.5962 2.7562 2.7562 4.1076 4.1076 6.6237 6.6237 9.0839 9.0839 9.7408 9.7408 k = 0.3415 0.1971-0.0000 ( 4931 PWs) bands (ev): -48.8470 -48.8470 -48.7945 -48.7945 -48.0869 -48.0869 -20.9847 -20.9847 -20.9126 -20.9126 -20.8111 -20.8111 -20.7523 -20.7523 -20.6245 -20.6245 -20.5320 -20.5320 -20.1928 -20.1928 -20.0500 -20.0500 -19.8837 -19.8837 -8.1659 -8.1659 1.2529 1.2529 2.5907 2.5907 2.7649 2.7649 4.1754 4.1754 6.5244 6.5244 9.0681 9.0681 9.7451 9.7451 k = 0.3537 0.2042-0.0000 ( 4935 PWs) bands (ev): -48.8458 -48.8458 -48.7957 -48.7957 -48.0869 -48.0869 -20.9845 -20.9845 -20.9131 -20.9131 -20.8087 -20.8087 -20.7540 -20.7540 -20.6257 -20.6257 -20.5317 -20.5317 -20.1929 -20.1929 -20.0502 -20.0502 -19.8837 -19.8837 -8.1608 -8.1608 1.2334 1.2334 2.5856 2.5856 2.7733 2.7733 4.2434 4.2434 6.4278 6.4278 9.0530 9.0530 9.7490 9.7490 k = 0.3659 0.2112-0.0000 ( 4937 PWs) bands (ev): -48.8447 -48.8447 -48.7968 -48.7968 -48.0869 -48.0869 -20.9844 -20.9844 -20.9136 -20.9136 -20.8063 -20.8063 -20.7558 -20.7558 -20.6268 -20.6268 -20.5313 -20.5313 -20.1930 -20.1930 -20.0503 -20.0503 -19.8837 -19.8837 -8.1559 -8.1559 1.2154 1.2154 2.5807 2.5807 2.7812 2.7812 4.3113 4.3113 6.3337 6.3337 9.0386 9.0386 9.7524 9.7524 k = 0.3780 0.2183-0.0000 ( 4937 PWs) bands (ev): -48.8435 -48.8435 -48.7980 -48.7980 -48.0869 -48.0869 -20.9842 -20.9842 -20.9141 -20.9141 -20.8038 -20.8038 -20.7576 -20.7576 -20.6278 -20.6278 -20.5310 -20.5310 -20.1931 -20.1931 -20.0503 -20.0503 -19.8838 -19.8838 -8.1514 -8.1514 1.1990 1.1990 2.5762 2.5762 2.7886 2.7886 4.3789 4.3789 6.2425 6.2425 9.0250 9.0250 9.7554 9.7554 k = 0.3902 0.2253-0.0000 ( 4945 PWs) bands (ev): -48.8424 -48.8424 -48.7991 -48.7991 -48.0869 -48.0869 -20.9841 -20.9841 -20.9144 -20.9144 -20.8014 -20.8014 -20.7595 -20.7595 -20.6288 -20.6288 -20.5307 -20.5307 -20.1932 -20.1932 -20.0504 -20.0504 -19.8838 -19.8838 -8.1472 -8.1472 1.1840 1.1840 2.5721 2.5721 2.7955 2.7955 4.4460 4.4460 6.1544 6.1544 9.0123 9.0123 9.7581 9.7581 k = 0.4024 0.2323-0.0000 ( 4943 PWs) bands (ev): -48.8413 -48.8413 -48.8002 -48.8002 -48.0869 -48.0869 -20.9840 -20.9840 -20.9148 -20.9148 -20.7989 -20.7989 -20.7615 -20.7615 -20.6298 -20.6298 -20.5304 -20.5304 -20.1932 -20.1932 -20.0505 -20.0505 -19.8839 -19.8839 -8.1434 -8.1434 1.1706 1.1706 2.5683 2.5683 2.8019 2.8019 4.5121 4.5121 6.0696 6.0696 9.0007 9.0007 9.7603 9.7603 k = 0.4146 0.2394-0.0000 ( 4955 PWs) bands (ev): -48.8403 -48.8403 -48.8013 -48.8013 -48.0869 -48.0869 -20.9840 -20.9840 -20.9151 -20.9151 -20.7965 -20.7965 -20.7635 -20.7635 -20.6308 -20.6308 -20.5301 -20.5301 -20.1933 -20.1933 -20.0506 -20.0506 -19.8839 -19.8839 -8.1400 -8.1400 1.1587 1.1587 2.5649 2.5649 2.8075 2.8075 4.5768 4.5768 5.9887 5.9887 8.9903 8.9903 9.7622 9.7622 k = 0.4268 0.2464-0.0000 ( 4959 PWs) bands (ev): -48.8394 -48.8394 -48.8022 -48.8022 -48.0869 -48.0869 -20.9839 -20.9839 -20.9153 -20.9153 -20.7940 -20.7940 -20.7656 -20.7656 -20.6316 -20.6316 -20.5299 -20.5299 -20.1934 -20.1934 -20.0507 -20.0507 -19.8840 -19.8840 -8.1369 -8.1369 1.1485 1.1485 2.5620 2.5620 2.8126 2.8126 4.6392 4.6392 5.9124 5.9124 8.9810 8.9810 9.7638 9.7638 k = 0.4390 0.2535-0.0000 ( 4965 PWs) bands (ev): -48.8385 -48.8385 -48.8030 -48.8030 -48.0869 -48.0869 -20.9839 -20.9839 -20.9155 -20.9155 -20.7915 -20.7915 -20.7677 -20.7677 -20.6323 -20.6323 -20.5296 -20.5296 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1344 -8.1344 1.1397 1.1397 2.5594 2.5594 2.8169 2.8169 4.6983 4.6983 5.8416 5.8416 8.9730 8.9730 9.7651 9.7651 k = 0.4512 0.2605-0.0000 ( 4957 PWs) bands (ev): -48.8378 -48.8378 -48.8038 -48.8038 -48.0869 -48.0869 -20.9838 -20.9838 -20.9156 -20.9156 -20.7891 -20.7891 -20.7698 -20.7698 -20.6329 -20.6329 -20.5294 -20.5294 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1322 -8.1322 1.1326 1.1326 2.5574 2.5574 2.8205 2.8205 4.7525 4.7525 5.7779 5.7779 8.9664 8.9664 9.7662 9.7662 k = 0.4634 0.2676-0.0000 ( 4949 PWs) bands (ev): -48.8372 -48.8372 -48.8044 -48.8044 -48.0869 -48.0869 -20.9838 -20.9838 -20.9157 -20.9157 -20.7866 -20.7866 -20.7720 -20.7720 -20.6332 -20.6332 -20.5292 -20.5292 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1306 -8.1306 1.1271 1.1271 2.5557 2.5557 2.8233 2.8233 4.7997 4.7997 5.7234 5.7234 8.9612 8.9612 9.7670 9.7670 k = 0.4756 0.2746-0.0000 ( 4948 PWs) bands (ev): -48.8368 -48.8368 -48.8048 -48.8048 -48.0869 -48.0869 -20.9838 -20.9838 -20.9158 -20.9158 -20.7843 -20.7843 -20.7741 -20.7741 -20.6336 -20.6336 -20.5291 -20.5291 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1294 -8.1294 1.1231 1.1231 2.5546 2.5546 2.8253 2.8253 4.8370 4.8370 5.6809 5.6809 8.9574 8.9574 9.7675 9.7675 k = 0.4878 0.2816-0.0000 ( 4952 PWs) bands (ev): -48.8365 -48.8365 -48.8051 -48.8051 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7822 -20.7822 -20.7761 -20.7761 -20.6338 -20.6338 -20.5291 -20.5291 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1286 -8.1286 1.1207 1.1207 2.5539 2.5539 2.8265 2.8265 4.8613 4.8613 5.6535 5.6535 8.9551 8.9551 9.7679 9.7679 k = 0.5000 0.2887-0.0000 ( 4948 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7811 -20.7811 -20.7772 -20.7772 -20.6339 -20.6339 -20.5290 -20.5290 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1284 -8.1284 1.1199 1.1199 2.5536 2.5536 2.8269 2.8269 4.8698 4.8698 5.6440 5.6440 8.9544 8.9544 9.7680 9.7680 k = 0.5000 0.2887-0.0000 ( 4948 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7811 -20.7811 -20.7772 -20.7772 -20.6339 -20.6339 -20.5290 -20.5290 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1284 -8.1284 1.1199 1.1199 2.5536 2.5536 2.8269 2.8269 4.8698 4.8698 5.6440 5.6440 8.9544 8.9544 9.7680 9.7680 k = 0.4931 0.3007-0.0000 ( 4948 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9839 -20.9839 -20.9157 -20.9157 -20.7815 -20.7815 -20.7767 -20.7767 -20.6341 -20.6341 -20.5290 -20.5290 -20.1935 -20.1935 -20.0508 -20.0508 -19.8840 -19.8840 -8.1283 -8.1283 1.1209 1.1209 2.5505 2.5505 2.8270 2.8270 4.8738 4.8738 5.6444 5.6444 8.9556 8.9556 9.7131 9.7131 k = 0.4861 0.3127-0.0000 ( 4948 PWs) bands (ev): -48.8363 -48.8363 -48.8053 -48.8053 -48.0869 -48.0869 -20.9842 -20.9842 -20.9154 -20.9154 -20.7825 -20.7825 -20.7754 -20.7754 -20.6346 -20.6346 -20.5287 -20.5287 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1281 -8.1281 1.1239 1.1239 2.5410 2.5410 2.8274 2.8274 4.8859 4.8859 5.6458 5.6458 8.9593 8.9593 9.5963 9.5963 k = 0.4792 0.3248-0.0000 ( 4948 PWs) bands (ev): -48.8361 -48.8361 -48.8054 -48.8054 -48.0869 -48.0869 -20.9847 -20.9847 -20.9147 -20.9147 -20.7835 -20.7835 -20.7739 -20.7739 -20.6356 -20.6356 -20.5284 -20.5284 -20.1935 -20.1935 -20.0508 -20.0508 -19.8840 -19.8840 -8.1278 -8.1278 1.1290 1.1290 2.5256 2.5256 2.8280 2.8280 4.9057 4.9057 5.6480 5.6480 8.9654 8.9654 9.4602 9.4602 k = 0.4722 0.3368-0.0000 ( 4954 PWs) bands (ev): -48.8359 -48.8359 -48.8056 -48.8056 -48.0869 -48.0869 -20.9855 -20.9855 -20.9139 -20.9139 -20.7846 -20.7846 -20.7722 -20.7722 -20.6369 -20.6369 -20.5278 -20.5278 -20.1935 -20.1935 -20.0508 -20.0508 -19.8840 -19.8840 -8.1273 -8.1273 1.1360 1.1360 2.5044 2.5044 2.8288 2.8288 4.9330 4.9330 5.6511 5.6511 8.9740 8.9740 9.3177 9.3177 k = 0.4653 0.3488-0.0000 ( 4955 PWs) bands (ev): -48.8357 -48.8357 -48.8059 -48.8059 -48.0869 -48.0869 -20.9864 -20.9864 -20.9129 -20.9129 -20.7857 -20.7857 -20.7704 -20.7704 -20.6386 -20.6386 -20.5272 -20.5272 -20.1935 -20.1935 -20.0509 -20.0509 -19.8840 -19.8840 -8.1267 -8.1267 1.1451 1.1451 2.4781 2.4781 2.8299 2.8299 4.9671 4.9671 5.6551 5.6551 8.9851 8.9851 9.1729 9.1729 k = 0.4583 0.3608-0.0000 ( 4959 PWs) bands (ev): -48.8353 -48.8353 -48.8062 -48.8062 -48.0869 -48.0869 -20.9874 -20.9874 -20.9117 -20.9117 -20.7867 -20.7867 -20.7684 -20.7684 -20.6406 -20.6406 -20.5265 -20.5265 -20.1935 -20.1935 -20.0509 -20.0509 -19.8840 -19.8840 -8.1260 -8.1260 1.1561 1.1561 2.4471 2.4471 2.8311 2.8311 5.0076 5.0076 5.6601 5.6601 8.9986 8.9986 9.0276 9.0276 k = 0.4514 0.3729-0.0000 ( 4947 PWs) bands (ev): -48.8349 -48.8349 -48.8066 -48.8066 -48.0869 -48.0869 -20.9884 -20.9884 -20.9104 -20.9104 -20.7876 -20.7876 -20.7663 -20.7663 -20.6428 -20.6428 -20.5256 -20.5256 -20.1935 -20.1935 -20.0508 -20.0508 -19.8840 -19.8840 -8.1252 -8.1252 1.1690 1.1690 2.4120 2.4120 2.8326 2.8326 5.0539 5.0539 5.6659 5.6659 8.8827 8.8827 9.0145 9.0145 k = 0.4444 0.3849-0.0000 ( 4945 PWs) bands (ev): -48.8345 -48.8345 -48.8070 -48.8070 -48.0869 -48.0869 -20.9896 -20.9896 -20.9089 -20.9089 -20.7885 -20.7885 -20.7641 -20.7641 -20.6454 -20.6454 -20.5247 -20.5247 -20.1935 -20.1935 -20.0509 -20.0509 -19.8840 -19.8840 -8.1243 -8.1243 1.1839 1.1839 2.3734 2.3734 2.8342 2.8342 5.1053 5.1053 5.6726 5.6726 8.7388 8.7388 9.0329 9.0329 k = 0.4375 0.3969-0.0000 ( 4933 PWs) bands (ev): -48.8340 -48.8340 -48.8075 -48.8075 -48.0869 -48.0869 -20.9908 -20.9908 -20.9075 -20.9075 -20.7893 -20.7893 -20.7617 -20.7617 -20.6481 -20.6481 -20.5237 -20.5237 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1233 -8.1233 1.2007 1.2007 2.3319 2.3319 2.8360 2.8360 5.1611 5.1611 5.6802 5.6802 8.5963 8.5963 9.0538 9.0538 k = 0.4306 0.4090-0.0000 ( 4931 PWs) bands (ev): -48.8334 -48.8334 -48.8081 -48.8081 -48.0869 -48.0869 -20.9920 -20.9920 -20.9059 -20.9059 -20.7900 -20.7900 -20.7592 -20.7592 -20.6511 -20.6511 -20.5227 -20.5227 -20.1934 -20.1934 -20.0509 -20.0509 -19.8840 -19.8840 -8.1223 -8.1223 1.2193 1.2193 2.2880 2.2880 2.8379 2.8379 5.2208 5.2208 5.6887 5.6887 8.4556 8.4556 9.0771 9.0771 k = 0.4236 0.4210-0.0000 ( 4931 PWs) bands (ev): -48.8328 -48.8328 -48.8087 -48.8087 -48.0869 -48.0869 -20.9933 -20.9933 -20.9044 -20.9044 -20.7907 -20.7907 -20.7567 -20.7567 -20.6543 -20.6543 -20.5218 -20.5218 -20.1935 -20.1935 -20.0509 -20.0509 -19.8840 -19.8840 -8.1212 -8.1212 1.2398 1.2398 2.2423 2.2423 2.8399 2.8399 5.2836 5.2836 5.6982 5.6982 8.3169 8.3169 9.1029 9.1029 k = 0.4167 0.4330-0.0000 ( 4929 PWs) bands (ev): -48.8322 -48.8322 -48.8093 -48.8093 -48.0869 -48.0869 -20.9945 -20.9945 -20.9030 -20.9030 -20.7914 -20.7914 -20.7540 -20.7540 -20.6576 -20.6576 -20.5208 -20.5208 -20.1935 -20.1935 -20.0509 -20.0509 -19.8840 -19.8840 -8.1200 -8.1200 1.2620 1.2620 2.1952 2.1952 2.8419 2.8419 5.3490 5.3490 5.7085 5.7085 8.1808 8.1808 9.1312 9.1312 k = 0.4097 0.4450-0.0000 ( 4933 PWs) bands (ev): -48.8315 -48.8315 -48.8100 -48.8100 -48.0869 -48.0869 -20.9956 -20.9956 -20.9015 -20.9015 -20.7920 -20.7920 -20.7513 -20.7513 -20.6610 -20.6610 -20.5200 -20.5200 -20.1935 -20.1935 -20.0509 -20.0509 -19.8840 -19.8840 -8.1188 -8.1188 1.2859 1.2859 2.1470 2.1470 2.8441 2.8441 5.4162 5.4162 5.7198 5.7198 8.0475 8.0475 9.1619 9.1619 k = 0.4028 0.4571-0.0000 ( 4935 PWs) bands (ev): -48.8307 -48.8307 -48.8108 -48.8108 -48.0869 -48.0869 -20.9967 -20.9967 -20.9002 -20.9002 -20.7925 -20.7925 -20.7485 -20.7485 -20.6646 -20.6646 -20.5191 -20.5191 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1177 -8.1177 1.3115 1.3115 2.0984 2.0984 2.8462 2.8462 5.4846 5.4846 5.7320 5.7320 7.9176 7.9176 9.1951 9.1951 k = 0.3958 0.4691-0.0000 ( 4943 PWs) bands (ev): -48.8299 -48.8299 -48.8116 -48.8116 -48.0869 -48.0869 -20.9978 -20.9978 -20.8989 -20.8989 -20.7930 -20.7930 -20.7456 -20.7456 -20.6682 -20.6682 -20.5184 -20.5184 -20.1936 -20.1936 -20.0510 -20.0510 -19.8840 -19.8840 -8.1165 -8.1165 1.3387 1.3387 2.0495 2.0495 2.8482 2.8482 5.5532 5.5532 5.7451 5.7451 7.7917 7.7917 9.2307 9.2307 k = 0.3889 0.4811-0.0000 ( 4927 PWs) bands (ev): -48.8291 -48.8291 -48.8124 -48.8124 -48.0869 -48.0869 -20.9987 -20.9987 -20.8977 -20.8977 -20.7934 -20.7934 -20.7427 -20.7427 -20.6718 -20.6718 -20.5176 -20.5176 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1154 -8.1154 1.3675 1.3675 2.0008 2.0008 2.8503 2.8503 5.6212 5.6212 5.7592 5.7592 7.6705 7.6705 9.2688 9.2688 k = 0.3819 0.4932-0.0000 ( 4931 PWs) bands (ev): -48.8282 -48.8282 -48.8133 -48.8133 -48.0869 -48.0869 -20.9995 -20.9995 -20.8966 -20.8966 -20.7938 -20.7938 -20.7397 -20.7397 -20.6754 -20.6754 -20.5169 -20.5169 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1143 -8.1143 1.3978 1.3978 1.9524 1.9524 2.8522 2.8522 5.6873 5.6873 5.7744 5.7744 7.5551 7.5551 9.3094 9.3094 k = 0.3750 0.5052-0.0000 ( 4933 PWs) bands (ev): -48.8272 -48.8272 -48.8143 -48.8143 -48.0869 -48.0869 -21.0003 -21.0003 -20.8957 -20.8957 -20.7941 -20.7941 -20.7369 -20.7369 -20.6788 -20.6788 -20.5163 -20.5163 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1133 -8.1133 1.4294 1.4294 1.9047 1.9047 2.8540 2.8540 5.7500 5.7500 5.7906 5.7906 7.4468 7.4468 9.3524 9.3524 k = 0.3681 0.5172-0.0000 ( 4937 PWs) bands (ev): -48.8263 -48.8263 -48.8153 -48.8153 -48.0869 -48.0869 -21.0009 -21.0009 -20.8949 -20.8949 -20.7943 -20.7943 -20.7341 -20.7341 -20.6822 -20.6822 -20.5158 -20.5158 -20.1936 -20.1936 -20.0510 -20.0510 -19.8840 -19.8840 -8.1124 -8.1124 1.4624 1.4624 1.8579 1.8579 2.8556 2.8556 5.8049 5.8049 5.8103 5.8103 7.3474 7.3474 9.3979 9.3979 k = 0.3611 0.5292-0.0000 ( 4929 PWs) bands (ev): -48.8252 -48.8252 -48.8163 -48.8163 -48.0869 -48.0869 -21.0014 -21.0014 -20.8942 -20.8942 -20.7945 -20.7945 -20.7314 -20.7314 -20.6852 -20.6852 -20.5153 -20.5153 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1116 -8.1116 1.4966 1.4966 1.8122 1.8122 2.8570 2.8570 5.8257 5.8257 5.8573 5.8573 7.2595 7.2595 9.4459 9.4459 k = 0.3542 0.5413-0.0000 ( 4931 PWs) bands (ev): -48.8242 -48.8242 -48.8174 -48.8174 -48.0869 -48.0869 -21.0018 -21.0018 -20.8937 -20.8937 -20.7946 -20.7946 -20.7291 -20.7291 -20.6879 -20.6879 -20.5150 -20.5150 -20.1936 -20.1936 -20.0511 -20.0511 -19.8840 -19.8840 -8.1110 -8.1110 1.5320 1.5320 1.7678 1.7678 2.8581 2.8581 5.8452 5.8452 5.8956 5.8956 7.1860 7.1860 9.4964 9.4964 k = 0.3472 0.5533-0.0000 ( 4927 PWs) bands (ev): -48.8231 -48.8231 -48.8185 -48.8185 -48.0869 -48.0869 -21.0021 -21.0021 -20.8933 -20.8933 -20.7947 -20.7947 -20.7272 -20.7272 -20.6901 -20.6901 -20.5148 -20.5148 -20.1936 -20.1936 -20.0511 -20.0511 -19.8840 -19.8840 -8.1105 -8.1105 1.5684 1.5684 1.7249 1.7249 2.8590 2.8590 5.8659 5.8659 5.9194 5.9194 7.1305 7.1305 9.5493 9.5493 k = 0.3403 0.5653-0.0000 ( 4933 PWs) bands (ev): -48.8219 -48.8219 -48.8196 -48.8196 -48.0869 -48.0869 -21.0023 -21.0023 -20.8931 -20.8931 -20.7947 -20.7947 -20.7260 -20.7260 -20.6915 -20.6915 -20.5147 -20.5147 -20.1936 -20.1936 -20.0511 -20.0511 -19.8840 -19.8840 -8.1102 -8.1102 1.6057 1.6057 1.6836 1.6836 2.8596 2.8596 5.8877 5.8877 5.9253 5.9253 7.0960 7.0960 9.6047 9.6047 k = 0.3333 0.5774-0.0000 ( 4923 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0023 -21.0023 -20.8930 -20.8930 -20.7947 -20.7947 -20.7255 -20.7255 -20.6919 -20.6919 -20.5146 -20.5146 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1101 -8.1101 1.6420 1.6420 1.6461 1.6461 2.8597 2.8597 5.9081 5.9081 5.9142 5.9142 7.0845 7.0845 9.6626 9.6626 k = 0.3333 0.5774-0.0000 ( 4923 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0023 -21.0023 -20.8930 -20.8930 -20.7947 -20.7947 -20.7255 -20.7255 -20.6919 -20.6919 -20.5146 -20.5146 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1101 -8.1101 1.6420 1.6420 1.6461 1.6461 2.8597 2.8597 5.9081 5.9081 5.9142 5.9142 7.0845 7.0845 9.6626 9.6626 k = 0.3264 0.5653-0.0000 ( 4927 PWs) bands (ev): -48.8220 -48.8220 -48.8196 -48.8196 -48.0869 -48.0869 -21.0023 -21.0023 -20.8931 -20.8931 -20.7947 -20.7947 -20.7260 -20.7260 -20.6915 -20.6915 -20.5147 -20.5147 -20.1936 -20.1936 -20.0511 -20.0511 -19.8840 -19.8840 -8.1102 -8.1102 1.6063 1.6063 1.6831 1.6831 2.8596 2.8596 5.8776 5.8776 5.9360 5.9360 7.0955 7.0955 9.6052 9.6052 k = 0.3194 0.5533-0.0000 ( 4931 PWs) bands (ev): -48.8232 -48.8232 -48.8183 -48.8183 -48.0869 -48.0869 -21.0021 -21.0021 -20.8933 -20.8933 -20.7947 -20.7947 -20.7272 -20.7272 -20.6901 -20.6901 -20.5148 -20.5148 -20.1936 -20.1936 -20.0511 -20.0511 -19.8840 -19.8840 -8.1105 -8.1105 1.5707 1.5707 1.7226 1.7226 2.8589 2.8589 5.8271 5.8271 5.9620 5.9620 7.1267 7.1267 9.5513 9.5513 k = 0.3125 0.5413-0.0000 ( 4925 PWs) bands (ev): -48.8244 -48.8244 -48.8171 -48.8171 -48.0869 -48.0869 -21.0018 -21.0018 -20.8936 -20.8936 -20.7947 -20.7947 -20.7289 -20.7289 -20.6880 -20.6880 -20.5150 -20.5150 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1111 -8.1111 1.5371 1.5371 1.7627 1.7627 2.8579 2.8579 5.7629 5.7629 5.9896 5.9896 7.1744 7.1744 9.5008 9.5009 k = 0.3056 0.5292-0.0000 ( 4931 PWs) bands (ev): -48.8257 -48.8257 -48.8158 -48.8158 -48.0869 -48.0869 -21.0015 -21.0015 -20.8941 -20.8941 -20.7948 -20.7948 -20.7310 -20.7310 -20.6854 -20.6854 -20.5154 -20.5154 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1120 -8.1120 1.5058 1.5058 1.8032 1.8032 2.8563 2.8563 5.6883 5.6883 6.0189 6.0189 7.2352 7.2352 9.4539 9.4539 k = 0.2986 0.5172-0.0000 ( 4927 PWs) bands (ev): -48.8270 -48.8270 -48.8145 -48.8145 -48.0869 -48.0869 -21.0010 -21.0010 -20.8947 -20.8947 -20.7948 -20.7948 -20.7333 -20.7333 -20.6824 -20.6824 -20.5157 -20.5157 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1131 -8.1131 1.4767 1.4767 1.8440 1.8440 2.8543 2.8543 5.6066 5.6066 6.0501 6.0501 7.3060 7.3060 9.4106 9.4106 k = 0.2917 0.5052-0.0000 ( 4923 PWs) bands (ev): -48.8283 -48.8283 -48.8132 -48.8132 -48.0869 -48.0869 -21.0004 -21.0004 -20.8953 -20.8953 -20.7950 -20.7950 -20.7356 -20.7356 -20.6792 -20.6792 -20.5162 -20.5162 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1146 -8.1146 1.4499 1.4499 1.8848 1.8848 2.8518 2.8518 5.5200 5.5200 6.0830 6.0830 7.3843 7.3843 9.3707 9.3707 k = 0.2847 0.4932-0.0000 ( 4919 PWs) bands (ev): -48.8296 -48.8296 -48.8119 -48.8119 -48.0869 -48.0869 -20.9998 -20.9998 -20.8961 -20.8961 -20.7952 -20.7952 -20.7379 -20.7379 -20.6758 -20.6758 -20.5168 -20.5168 -20.1934 -20.1934 -20.0509 -20.0509 -19.8840 -19.8840 -8.1163 -8.1163 1.4256 1.4256 1.9257 1.9257 2.8487 2.8487 5.4301 5.4301 6.1180 6.1180 7.4684 7.4684 9.3343 9.3343 k = 0.2778 0.4811-0.0000 ( 4919 PWs) bands (ev): -48.8309 -48.8309 -48.8105 -48.8105 -48.0869 -48.0869 -20.9991 -20.9991 -20.8969 -20.8969 -20.7956 -20.7956 -20.7400 -20.7400 -20.6723 -20.6723 -20.5174 -20.5174 -20.1934 -20.1934 -20.0509 -20.0509 -19.8839 -19.8839 -8.1184 -8.1184 1.4037 1.4037 1.9664 1.9664 2.8452 2.8452 5.3383 5.3383 6.1551 6.1551 7.5569 7.5569 9.3014 9.3014 k = 0.2708 0.4691-0.0000 ( 4921 PWs) bands (ev): -48.8323 -48.8323 -48.8092 -48.8092 -48.0869 -48.0869 -20.9983 -20.9983 -20.8978 -20.8978 -20.7961 -20.7961 -20.7419 -20.7419 -20.6688 -20.6688 -20.5181 -20.5181 -20.1934 -20.1934 -20.0508 -20.0508 -19.8839 -19.8839 -8.1207 -8.1207 1.3843 1.3843 2.0069 2.0069 2.8411 2.8411 5.2455 5.2455 6.1945 6.1945 7.6487 7.6487 9.2719 9.2719 k = 0.2639 0.4571-0.0000 ( 4921 PWs) bands (ev): -48.8337 -48.8337 -48.8078 -48.8078 -48.0869 -48.0869 -20.9975 -20.9975 -20.8987 -20.8987 -20.7968 -20.7968 -20.7437 -20.7437 -20.6653 -20.6653 -20.5189 -20.5189 -20.1934 -20.1934 -20.0508 -20.0508 -19.8839 -19.8839 -8.1234 -8.1234 1.3674 1.3674 2.0469 2.0469 2.8364 2.8364 5.1523 5.1523 6.2362 6.2362 7.7431 7.7431 9.2458 9.2458 k = 0.2569 0.4450-0.0000 ( 4917 PWs) bands (ev): -48.8350 -48.8350 -48.8065 -48.8065 -48.0869 -48.0869 -20.9966 -20.9966 -20.8997 -20.8997 -20.7977 -20.7977 -20.7451 -20.7451 -20.6617 -20.6617 -20.5197 -20.5197 -20.1933 -20.1933 -20.0507 -20.0507 -19.8839 -19.8839 -8.1264 -8.1264 1.3531 1.3531 2.0864 2.0864 2.8313 2.8313 5.0593 5.0593 6.2804 6.2804 7.8395 7.8395 9.2230 9.2230 k = 0.2500 0.4330-0.0000 ( 4917 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9958 -20.9958 -20.9006 -20.9006 -20.7988 -20.7988 -20.7463 -20.7463 -20.6583 -20.6583 -20.5206 -20.5206 -20.1933 -20.1933 -20.0507 -20.0507 -19.8838 -19.8838 -8.1297 -8.1297 1.3414 1.3414 2.1253 2.1253 2.8256 2.8256 4.9668 4.9668 6.3273 6.3273 7.9372 7.9372 9.2034 9.2034 k = 0.2431 0.4210-0.0000 ( 4917 PWs) bands (ev): -48.8377 -48.8377 -48.8038 -48.8038 -48.0869 -48.0869 -20.9949 -20.9949 -20.9015 -20.9015 -20.8000 -20.8000 -20.7471 -20.7471 -20.6548 -20.6548 -20.5214 -20.5214 -20.1932 -20.1932 -20.0506 -20.0506 -19.8838 -19.8838 -8.1333 -8.1333 1.3322 1.3322 2.1633 2.1633 2.8194 2.8194 4.8750 4.8750 6.3769 6.3769 8.0359 8.0359 9.1869 9.1869 k = 0.2361 0.4090-0.0000 ( 4917 PWs) bands (ev): -48.8391 -48.8391 -48.8024 -48.8024 -48.0869 -48.0869 -20.9940 -20.9940 -20.9025 -20.9025 -20.8015 -20.8015 -20.7477 -20.7477 -20.6514 -20.6514 -20.5224 -20.5224 -20.1932 -20.1932 -20.0505 -20.0505 -19.8838 -19.8838 -8.1373 -8.1373 1.3257 1.3257 2.2005 2.2005 2.8127 2.8127 4.7843 4.7843 6.4294 6.4294 8.1351 8.1351 9.1734 9.1734 k = 0.2292 0.3969-0.0000 ( 4919 PWs) bands (ev): -48.8404 -48.8404 -48.8010 -48.8010 -48.0869 -48.0869 -20.9931 -20.9931 -20.9033 -20.9033 -20.8031 -20.8031 -20.7481 -20.7481 -20.6481 -20.6481 -20.5233 -20.5233 -20.1931 -20.1931 -20.0505 -20.0505 -19.8838 -19.8838 -8.1415 -8.1415 1.3217 1.3217 2.2366 2.2366 2.8056 2.8056 4.6947 4.6947 6.4849 6.4849 8.2344 8.2344 9.1629 9.1629 k = 0.2222 0.3849-0.0000 ( 4921 PWs) bands (ev): -48.8418 -48.8418 -48.7997 -48.7997 -48.0869 -48.0869 -20.9923 -20.9923 -20.9041 -20.9041 -20.8049 -20.8049 -20.7482 -20.7482 -20.6450 -20.6450 -20.5243 -20.5243 -20.1930 -20.1930 -20.0504 -20.0504 -19.8838 -19.8838 -8.1460 -8.1460 1.3203 1.3203 2.2716 2.2716 2.7980 2.7980 4.6063 4.6063 6.5435 6.5435 8.3334 8.3334 9.1551 9.1551 k = 0.2153 0.3729-0.0000 ( 4921 PWs) bands (ev): -48.8431 -48.8431 -48.7984 -48.7984 -48.0869 -48.0869 -20.9915 -20.9915 -20.9048 -20.9048 -20.8067 -20.8067 -20.7481 -20.7481 -20.6419 -20.6419 -20.5253 -20.5253 -20.1930 -20.1930 -20.0503 -20.0503 -19.8837 -19.8837 -8.1508 -8.1508 1.3214 1.3214 2.3055 2.3055 2.7901 2.7901 4.5193 4.5193 6.6052 6.6052 8.4318 8.4318 9.1500 9.1500 k = 0.2083 0.3608-0.0000 ( 4921 PWs) bands (ev): -48.8445 -48.8445 -48.7970 -48.7970 -48.0869 -48.0869 -20.9908 -20.9908 -20.9055 -20.9055 -20.8087 -20.8087 -20.7478 -20.7478 -20.6390 -20.6390 -20.5262 -20.5262 -20.1929 -20.1929 -20.0502 -20.0502 -19.8837 -19.8837 -8.1559 -8.1559 1.3251 1.3251 2.3380 2.3380 2.7817 2.7817 4.4338 4.4338 6.6703 6.6703 8.5290 8.5290 9.1474 9.1474 k = 0.2014 0.3488-0.0000 ( 4929 PWs) bands (ev): -48.8458 -48.8458 -48.7957 -48.7957 -48.0869 -48.0869 -20.9902 -20.9902 -20.9060 -20.9060 -20.8107 -20.8107 -20.7473 -20.7473 -20.6362 -20.6362 -20.5272 -20.5272 -20.1929 -20.1929 -20.0501 -20.0501 -19.8837 -19.8837 -8.1611 -8.1611 1.3312 1.3312 2.3692 2.3692 2.7731 2.7731 4.3497 4.3497 6.7388 6.7388 8.6248 8.6248 9.1472 9.1472 k = 0.1944 0.3368-0.0000 ( 4929 PWs) bands (ev): -48.8471 -48.8471 -48.7944 -48.7944 -48.0869 -48.0869 -20.9896 -20.9896 -20.9064 -20.9064 -20.8128 -20.8128 -20.7467 -20.7467 -20.6336 -20.6336 -20.5280 -20.5280 -20.1928 -20.1928 -20.0500 -20.0500 -19.8836 -19.8836 -8.1666 -8.1666 1.3397 1.3397 2.3990 2.3990 2.7641 2.7641 4.2672 4.2672 6.8107 6.8107 8.7185 8.7185 9.1491 9.1491 k = 0.1875 0.3248-0.0000 ( 4929 PWs) bands (ev): -48.8483 -48.8483 -48.7932 -48.7932 -48.0869 -48.0869 -20.9892 -20.9892 -20.9067 -20.9067 -20.8149 -20.8149 -20.7460 -20.7460 -20.6311 -20.6311 -20.5288 -20.5288 -20.1927 -20.1927 -20.0499 -20.0499 -19.8836 -19.8836 -8.1723 -8.1723 1.3507 1.3507 2.4273 2.4273 2.7549 2.7549 4.1862 4.1862 6.8861 6.8861 8.8097 8.8097 9.1530 9.1530 k = 0.1806 0.3127-0.0000 ( 4923 PWs) bands (ev): -48.8496 -48.8496 -48.7919 -48.7919 -48.0869 -48.0869 -20.9888 -20.9888 -20.9068 -20.9068 -20.8170 -20.8170 -20.7452 -20.7452 -20.6287 -20.6287 -20.5295 -20.5295 -20.1926 -20.1926 -20.0498 -20.0498 -19.8835 -19.8835 -8.1782 -8.1782 1.3640 1.3640 2.4541 2.4541 2.7455 2.7455 4.1068 4.1068 6.9651 6.9651 8.8978 8.8978 9.1588 9.1588 k = 0.1736 0.3007-0.0000 ( 4923 PWs) bands (ev): -48.8508 -48.8508 -48.7907 -48.7907 -48.0869 -48.0869 -20.9885 -20.9885 -20.9068 -20.9068 -20.8191 -20.8191 -20.7444 -20.7444 -20.6266 -20.6266 -20.5302 -20.5302 -20.1925 -20.1925 -20.0497 -20.0497 -19.8835 -19.8835 -8.1842 -8.1842 1.3795 1.3795 2.4795 2.4795 2.7359 2.7359 4.0290 4.0290 7.0476 7.0476 8.9823 8.9823 9.1662 9.1662 k = 0.1667 0.2887-0.0000 ( 4923 PWs) bands (ev): -48.8520 -48.8520 -48.7895 -48.7895 -48.0869 -48.0869 -20.9883 -20.9883 -20.9067 -20.9067 -20.8211 -20.8211 -20.7434 -20.7434 -20.6246 -20.6246 -20.5308 -20.5308 -20.1924 -20.1924 -20.0496 -20.0496 -19.8834 -19.8834 -8.1903 -8.1903 1.3973 1.3973 2.5033 2.5033 2.7262 2.7262 3.9528 3.9528 7.1336 7.1336 9.0625 9.0625 9.1751 9.1751 k = 0.1597 0.2766-0.0000 ( 4921 PWs) bands (ev): -48.8532 -48.8532 -48.7883 -48.7883 -48.0869 -48.0869 -20.9882 -20.9882 -20.9064 -20.9064 -20.8232 -20.8232 -20.7424 -20.7424 -20.6229 -20.6229 -20.5312 -20.5312 -20.1923 -20.1923 -20.0494 -20.0494 -19.8834 -19.8834 -8.1965 -8.1965 1.4171 1.4171 2.5256 2.5256 2.7165 2.7165 3.8781 3.8781 7.2232 7.2232 9.1380 9.1380 9.1852 9.1852 k = 0.1528 0.2646-0.0000 ( 4917 PWs) bands (ev): -48.8543 -48.8543 -48.7872 -48.7872 -48.0869 -48.0869 -20.9882 -20.9882 -20.9060 -20.9060 -20.8251 -20.8251 -20.7414 -20.7414 -20.6213 -20.6213 -20.5316 -20.5316 -20.1921 -20.1921 -20.0493 -20.0493 -19.8833 -19.8833 -8.2027 -8.2027 1.4390 1.4390 2.5464 2.5464 2.7067 2.7067 3.8051 3.8051 7.3163 7.3163 9.1964 9.1964 9.2081 9.2081 k = 0.1458 0.2526-0.0000 ( 4921 PWs) bands (ev): -48.8554 -48.8554 -48.7861 -48.7861 -48.0869 -48.0869 -20.9883 -20.9883 -20.9055 -20.9055 -20.8271 -20.8271 -20.7405 -20.7405 -20.6200 -20.6200 -20.5319 -20.5319 -20.1921 -20.1921 -20.0492 -20.0492 -19.8833 -19.8833 -8.2090 -8.2090 1.4628 1.4628 2.5658 2.5658 2.6970 2.6970 3.7336 3.7336 7.4129 7.4129 9.2085 9.2085 9.2723 9.2723 k = 0.1389 0.2406-0.0000 ( 4917 PWs) bands (ev): -48.8564 -48.8564 -48.7850 -48.7850 -48.0869 -48.0869 -20.9885 -20.9885 -20.9049 -20.9049 -20.8290 -20.8290 -20.7395 -20.7395 -20.6188 -20.6188 -20.5320 -20.5320 -20.1919 -20.1919 -20.0490 -20.0490 -19.8832 -19.8832 -8.2153 -8.2153 1.4885 1.4885 2.5837 2.5837 2.6874 2.6874 3.6637 3.6637 7.5128 7.5128 9.2214 9.2214 9.3303 9.3303 k = 0.1319 0.2285-0.0000 ( 4925 PWs) bands (ev): -48.8575 -48.8575 -48.7840 -48.7840 -48.0869 -48.0869 -20.9888 -20.9888 -20.9042 -20.9042 -20.8308 -20.8308 -20.7385 -20.7385 -20.6179 -20.6179 -20.5320 -20.5320 -20.1918 -20.1918 -20.0489 -20.0489 -19.8832 -19.8832 -8.2215 -8.2215 1.5159 1.5159 2.6002 2.6002 2.6779 2.6779 3.5954 3.5954 7.6160 7.6160 9.2347 9.2347 9.3816 9.3816 k = 0.1250 0.2165-0.0000 ( 4921 PWs) bands (ev): -48.8585 -48.8585 -48.7830 -48.7830 -48.0869 -48.0869 -20.9891 -20.9891 -20.9035 -20.9035 -20.8325 -20.8325 -20.7375 -20.7375 -20.6171 -20.6171 -20.5320 -20.5320 -20.1917 -20.1917 -20.0488 -20.0488 -19.8832 -19.8832 -8.2276 -8.2276 1.5449 1.5449 2.6154 2.6154 2.6686 2.6686 3.5286 3.5286 7.7224 7.7224 9.2484 9.2484 9.4264 9.4264 k = 0.1181 0.2045-0.0000 ( 4927 PWs) bands (ev): -48.8594 -48.8594 -48.7821 -48.7821 -48.0869 -48.0869 -20.9895 -20.9895 -20.9026 -20.9026 -20.8342 -20.8342 -20.7366 -20.7366 -20.6165 -20.6165 -20.5318 -20.5318 -20.1916 -20.1916 -20.0486 -20.0486 -19.8832 -19.8832 -8.2337 -8.2337 1.5754 1.5754 2.6292 2.6292 2.6596 2.6596 3.4635 3.4635 7.8318 7.8318 9.2623 9.2623 9.4644 9.4644 k = 0.1111 0.1925-0.0000 ( 4921 PWs) bands (ev): -48.8603 -48.8603 -48.7812 -48.7812 -48.0869 -48.0869 -20.9898 -20.9898 -20.9017 -20.9017 -20.8358 -20.8358 -20.7356 -20.7356 -20.6160 -20.6160 -20.5316 -20.5316 -20.1915 -20.1915 -20.0485 -20.0485 -19.8831 -19.8831 -8.2396 -8.2396 1.6073 1.6073 2.6413 2.6413 2.6514 2.6514 3.3998 3.3998 7.9440 7.9440 9.2761 9.2761 9.4961 9.4961 k = 0.1042 0.1804-0.0000 ( 4917 PWs) bands (ev): -48.8611 -48.8611 -48.7803 -48.7803 -48.0869 -48.0869 -20.9903 -20.9903 -20.9008 -20.9008 -20.8373 -20.8373 -20.7347 -20.7347 -20.6157 -20.6157 -20.5312 -20.5312 -20.1914 -20.1914 -20.0484 -20.0484 -19.8831 -19.8831 -8.2453 -8.2453 1.6403 1.6403 2.6412 2.6412 2.6544 2.6544 3.3378 3.3378 8.0589 8.0589 9.2899 9.2899 9.5216 9.5216 k = 0.0972 0.1684-0.0000 ( 4919 PWs) bands (ev): -48.8619 -48.8619 -48.7795 -48.7795 -48.0869 -48.0869 -20.9907 -20.9907 -20.8999 -20.8999 -20.8388 -20.8388 -20.7339 -20.7339 -20.6155 -20.6155 -20.5309 -20.5309 -20.1912 -20.1912 -20.0482 -20.0482 -19.8831 -19.8831 -8.2508 -8.2508 1.6745 1.6745 2.6335 2.6335 2.6644 2.6644 3.2774 3.2774 8.1762 8.1762 9.3033 9.3033 9.5416 9.5416 k = 0.0903 0.1564-0.0000 ( 4915 PWs) bands (ev): -48.8627 -48.8627 -48.7787 -48.7787 -48.0869 -48.0869 -20.9912 -20.9912 -20.8989 -20.8989 -20.8401 -20.8401 -20.7330 -20.7330 -20.6154 -20.6154 -20.5304 -20.5304 -20.1911 -20.1911 -20.0481 -20.0481 -19.8830 -19.8830 -8.2561 -8.2561 1.7095 1.7095 2.6258 2.6258 2.6737 2.6737 3.2187 3.2187 8.2955 8.2955 9.3164 9.3164 9.5566 9.5566 k = 0.0833 0.1443-0.0000 ( 4923 PWs) bands (ev): -48.8634 -48.8634 -48.7780 -48.7780 -48.0869 -48.0869 -20.9917 -20.9917 -20.8980 -20.8980 -20.8414 -20.8414 -20.7322 -20.7322 -20.6155 -20.6155 -20.5300 -20.5300 -20.1911 -20.1911 -20.0480 -20.0480 -19.8830 -19.8830 -8.2611 -8.2611 1.7452 1.7452 2.6184 2.6184 2.6820 2.6820 3.1616 3.1616 8.4166 8.4166 9.3288 9.3288 9.5672 9.5672 k = 0.0764 0.1323-0.0000 ( 4923 PWs) bands (ev): -48.8641 -48.8641 -48.7774 -48.7774 -48.0869 -48.0869 -20.9921 -20.9921 -20.8971 -20.8971 -20.8425 -20.8425 -20.7315 -20.7315 -20.6156 -20.6156 -20.5295 -20.5295 -20.1910 -20.1910 -20.0479 -20.0479 -19.8830 -19.8830 -8.2659 -8.2659 1.7813 1.7813 2.6115 2.6115 2.6895 2.6895 3.1064 3.1064 8.5389 8.5389 9.3407 9.3407 9.5740 9.5740 k = 0.0694 0.1203-0.0000 ( 4917 PWs) bands (ev): -48.8647 -48.8647 -48.7768 -48.7768 -48.0869 -48.0869 -20.9925 -20.9925 -20.8962 -20.8962 -20.8436 -20.8436 -20.7308 -20.7308 -20.6158 -20.6158 -20.5290 -20.5290 -20.1909 -20.1909 -20.0478 -20.0478 -19.8829 -19.8829 -8.2703 -8.2703 1.8176 1.8176 2.6051 2.6051 2.6961 2.6961 3.0532 3.0532 8.6618 8.6618 9.3518 9.3518 9.5777 9.5777 k = 0.0625 0.1083-0.0000 ( 4909 PWs) bands (ev): -48.8652 -48.8652 -48.7762 -48.7762 -48.0869 -48.0869 -20.9929 -20.9929 -20.8954 -20.8954 -20.8445 -20.8445 -20.7302 -20.7302 -20.6159 -20.6159 -20.5285 -20.5285 -20.1907 -20.1907 -20.0477 -20.0477 -19.8829 -19.8829 -8.2744 -8.2744 1.8539 1.8539 2.5992 2.5992 2.7018 2.7018 3.0021 3.0021 8.7846 8.7846 9.3621 9.3621 9.5790 9.5790 k = 0.0556 0.0962-0.0000 ( 4901 PWs) bands (ev): -48.8657 -48.8657 -48.7757 -48.7757 -48.0869 -48.0869 -20.9933 -20.9933 -20.8946 -20.8946 -20.8454 -20.8454 -20.7296 -20.7296 -20.6161 -20.6161 -20.5280 -20.5280 -20.1906 -20.1906 -20.0476 -20.0476 -19.8828 -19.8828 -8.2781 -8.2781 1.8896 1.8896 2.5939 2.5939 2.7069 2.7069 2.9534 2.9534 8.9063 8.9063 9.3714 9.3714 9.5783 9.5783 k = 0.0486 0.0842-0.0000 ( 4895 PWs) bands (ev): -48.8661 -48.8661 -48.7753 -48.7753 -48.0869 -48.0869 -20.9936 -20.9936 -20.8939 -20.8939 -20.8461 -20.8461 -20.7291 -20.7291 -20.6164 -20.6164 -20.5276 -20.5276 -20.1906 -20.1906 -20.0475 -20.0475 -19.8828 -19.8828 -8.2814 -8.2814 1.9243 1.9243 2.5891 2.5891 2.7112 2.7112 2.9076 2.9076 9.0257 9.0257 9.3798 9.3798 9.5762 9.5762 k = 0.0417 0.0722-0.0000 ( 4893 PWs) bands (ev): -48.8665 -48.8665 -48.7749 -48.7749 -48.0869 -48.0869 -20.9939 -20.9939 -20.8932 -20.8932 -20.8468 -20.8468 -20.7287 -20.7287 -20.6166 -20.6166 -20.5271 -20.5271 -20.1905 -20.1905 -20.0474 -20.0474 -19.8828 -19.8828 -8.2843 -8.2843 1.9575 1.9575 2.5849 2.5849 2.7148 2.7148 2.8650 2.8650 9.1409 9.1409 9.3872 9.3872 9.5733 9.5733 k = 0.0347 0.0601-0.0000 ( 4891 PWs) bands (ev): -48.8668 -48.8668 -48.7746 -48.7746 -48.0869 -48.0869 -20.9941 -20.9941 -20.8927 -20.8927 -20.8473 -20.8473 -20.7283 -20.7283 -20.6168 -20.6168 -20.5268 -20.5268 -20.1904 -20.1904 -20.0473 -20.0473 -19.8828 -19.8828 -8.2868 -8.2868 1.9883 1.9883 2.5814 2.5814 2.7177 2.7177 2.8263 2.8263 9.2496 9.2496 9.3935 9.3935 9.5700 9.5700 k = 0.0278 0.0481-0.0000 ( 4887 PWs) bands (ev): -48.8671 -48.8671 -48.7743 -48.7743 -48.0869 -48.0869 -20.9943 -20.9943 -20.8922 -20.8922 -20.8478 -20.8478 -20.7280 -20.7280 -20.6170 -20.6170 -20.5265 -20.5265 -20.1904 -20.1904 -20.0472 -20.0472 -19.8827 -19.8827 -8.2889 -8.2889 2.0160 2.0160 2.5784 2.5784 2.7200 2.7200 2.7925 2.7925 9.3488 9.3488 9.3987 9.3987 9.5667 9.5667 k = 0.0208 0.0361-0.0000 ( 4879 PWs) bands (ev): -48.8673 -48.8673 -48.7741 -48.7741 -48.0869 -48.0869 -20.9945 -20.9945 -20.8919 -20.8919 -20.8481 -20.8481 -20.7277 -20.7277 -20.6171 -20.6171 -20.5262 -20.5262 -20.1903 -20.1903 -20.0472 -20.0472 -19.8827 -19.8827 -8.2905 -8.2905 2.0394 2.0394 2.5761 2.5761 2.7216 2.7216 2.7646 2.7646 9.4028 9.4028 9.4342 9.4342 9.5638 9.5638 k = 0.0139 0.0241-0.0000 ( 4871 PWs) bands (ev): -48.8674 -48.8674 -48.7739 -48.7739 -48.0869 -48.0869 -20.9946 -20.9946 -20.8916 -20.8916 -20.8484 -20.8484 -20.7275 -20.7275 -20.6172 -20.6172 -20.5260 -20.5260 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2917 -8.2917 2.0573 2.0573 2.5745 2.5745 2.7221 2.7221 2.7441 2.7441 9.4058 9.4058 9.5009 9.5009 9.5617 9.5617 k = 0.0069 0.0120-0.0000 ( 4871 PWs) bands (ev): -48.8675 -48.8675 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8915 -20.8915 -20.8485 -20.8485 -20.7274 -20.7274 -20.6172 -20.6172 -20.5259 -20.5259 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2924 -8.2924 2.0686 2.0686 2.5735 2.5735 2.7207 2.7207 2.7329 2.7329 9.4075 9.4075 9.5428 9.5428 9.5613 9.5613 k = 0.0000 0.0000 0.0000 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2926 -8.2926 2.0725 2.0725 2.5731 2.5731 2.7190 2.7190 2.7303 2.7303 9.4081 9.4081 9.5541 9.5541 9.5643 9.5643 k = 0.0000 0.0000 0.0000 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2926 -8.2926 2.0725 2.0725 2.5731 2.5731 2.7190 2.7190 2.7303 2.7303 9.4081 9.4081 9.5541 9.5541 9.5643 9.5643 k = 0.0000 0.0000 0.0138 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1902 -20.1902 -20.0471 -20.0471 -19.8827 -19.8827 -8.2923 -8.2923 2.0652 2.0652 2.5812 2.5812 2.7191 2.7191 2.7304 2.7304 9.3717 9.3717 9.5553 9.5553 9.5656 9.5656 k = 0.0000 0.0000 0.0275 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1902 -20.1902 -20.0471 -20.0471 -19.8828 -19.8828 -8.2915 -8.2915 2.0444 2.0444 2.6041 2.6041 2.7193 2.7193 2.7305 2.7305 9.2814 9.2814 9.5590 9.5590 9.5692 9.5692 k = 0.0000 0.0000 0.0413 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1903 -20.1903 -20.0471 -20.0471 -19.8829 -19.8829 -8.2902 -8.2902 2.0133 2.0133 2.6389 2.6389 2.7196 2.7196 2.7309 2.7309 9.1645 9.1645 9.5650 9.5650 9.5752 9.5752 k = 0.0000 0.0000 0.0550 ( 4871 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8914 -20.8914 -20.8486 -20.8486 -20.7274 -20.7274 -20.6172 -20.6172 -20.5258 -20.5258 -20.1903 -20.1903 -20.0471 -20.0471 -19.8831 -19.8831 -8.2884 -8.2884 1.9749 1.9749 2.6823 2.6823 2.7203 2.7203 2.7313 2.7313 9.0356 9.0356 9.5735 9.5735 9.5837 9.5837 k = 0.0000 0.0000 0.0688 ( 4883 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8916 -20.8916 -20.8486 -20.8486 -20.7274 -20.7274 -20.6173 -20.6173 -20.5258 -20.5258 -20.1903 -20.1903 -20.0471 -20.0471 -19.8834 -19.8834 -8.2861 -8.2861 1.9316 1.9316 2.7194 2.7194 2.7318 2.7318 2.7337 2.7337 8.9013 8.9013 9.5845 9.5845 9.5946 9.5946 k = 0.0000 0.0000 0.0825 ( 4877 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8916 -20.8916 -20.8486 -20.8486 -20.7273 -20.7273 -20.6172 -20.6172 -20.5258 -20.5258 -20.1904 -20.1904 -20.0472 -20.0472 -19.8836 -19.8836 -8.2833 -8.2833 1.8854 1.8854 2.7209 2.7209 2.7325 2.7325 2.7875 2.7875 8.7645 8.7645 9.5978 9.5978 9.6079 9.6079 k = 0.0000 0.0000 0.0963 ( 4889 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8917 -20.8917 -20.8486 -20.8486 -20.7275 -20.7275 -20.6172 -20.6172 -20.5258 -20.5258 -20.1904 -20.1904 -20.0472 -20.0472 -19.8840 -19.8840 -8.2801 -8.2801 1.8373 1.8373 2.7218 2.7218 2.7333 2.7333 2.8455 2.8455 8.6268 8.6268 9.6136 9.6136 9.6237 9.6237 k = 0.0000 0.0000 0.1100 ( 4895 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8917 -20.8917 -20.8487 -20.8487 -20.7275 -20.7275 -20.6172 -20.6172 -20.5258 -20.5258 -20.1905 -20.1905 -20.0472 -20.0472 -19.8843 -19.8843 -8.2764 -8.2764 1.7883 1.7883 2.7227 2.7227 2.7341 2.7341 2.9063 2.9063 8.4889 8.4889 9.6318 9.6318 9.6418 9.6418 k = 0.0000 0.0000 0.1238 ( 4895 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8917 -20.8917 -20.8487 -20.8487 -20.7275 -20.7275 -20.6172 -20.6172 -20.5258 -20.5258 -20.1905 -20.1905 -20.0473 -20.0473 -19.8846 -19.8846 -8.2723 -8.2723 1.7389 1.7389 2.7237 2.7237 2.7351 2.7351 2.9694 2.9694 8.3514 8.3514 9.6524 9.6524 9.6624 9.6624 k = 0.0000 0.0000 0.1375 ( 4895 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8918 -20.8918 -20.8486 -20.8486 -20.7276 -20.7276 -20.6172 -20.6172 -20.5257 -20.5257 -20.1906 -20.1906 -20.0473 -20.0473 -19.8851 -19.8851 -8.2679 -8.2679 1.6894 1.6894 2.7248 2.7248 2.7361 2.7361 3.0345 3.0345 8.2145 8.2145 9.6755 9.6755 9.6854 9.6854 k = 0.0000 0.0000 0.1513 ( 4919 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8919 -20.8919 -20.8486 -20.8486 -20.7276 -20.7276 -20.6174 -20.6174 -20.5259 -20.5259 -20.1907 -20.1907 -20.0474 -20.0474 -19.8855 -19.8855 -8.2631 -8.2631 1.6403 1.6403 2.7259 2.7259 2.7373 2.7373 3.1012 3.1012 8.0784 8.0784 9.7010 9.7010 9.7108 9.7108 k = 0.0000 0.0000 0.1650 ( 4913 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8918 -20.8918 -20.8486 -20.8486 -20.7276 -20.7276 -20.6173 -20.6173 -20.5259 -20.5259 -20.1908 -20.1908 -20.0474 -20.0474 -19.8860 -19.8860 -8.2580 -8.2580 1.5918 1.5918 2.7271 2.7271 2.7385 2.7385 3.1696 3.1696 7.9432 7.9432 9.7289 9.7289 9.7387 9.7387 k = 0.0000 0.0000 0.1788 ( 4913 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8919 -20.8919 -20.8486 -20.8486 -20.7277 -20.7277 -20.6173 -20.6173 -20.5258 -20.5258 -20.1908 -20.1908 -20.0474 -20.0474 -19.8864 -19.8864 -8.2527 -8.2527 1.5441 1.5441 2.7284 2.7284 2.7397 2.7397 3.2394 3.2394 7.8091 7.8091 9.7592 9.7592 9.7690 9.7690 k = 0.0000 0.0000 0.1925 ( 4877 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8918 -20.8918 -20.8485 -20.8485 -20.7275 -20.7275 -20.6172 -20.6172 -20.5257 -20.5257 -20.1908 -20.1908 -20.0473 -20.0473 -19.8868 -19.8868 -8.2471 -8.2471 1.4973 1.4973 2.7298 2.7298 2.7411 2.7411 3.3107 3.3107 7.6762 7.6762 9.7920 9.7920 9.8017 9.8017 k = 0.0000 0.0000 0.2063 ( 4883 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8919 -20.8919 -20.8485 -20.8485 -20.7276 -20.7276 -20.6172 -20.6172 -20.5257 -20.5257 -20.1908 -20.1908 -20.0474 -20.0474 -19.8873 -19.8873 -8.2413 -8.2413 1.4517 1.4517 2.7311 2.7311 2.7424 2.7424 3.3834 3.3834 7.5443 7.5443 9.8272 9.8272 9.8368 9.8368 k = 0.0000 0.0000 0.2201 ( 4889 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8921 -20.8921 -20.8485 -20.8485 -20.7276 -20.7276 -20.6172 -20.6172 -20.5256 -20.5256 -20.1909 -20.1909 -20.0474 -20.0474 -19.8879 -19.8879 -8.2354 -8.2354 1.4074 1.4074 2.7326 2.7326 2.7438 2.7438 3.4574 3.4574 7.4137 7.4137 9.8648 9.8648 9.8743 9.8743 k = 0.0000 0.0000 0.2338 ( 4889 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8921 -20.8921 -20.8485 -20.8485 -20.7277 -20.7277 -20.6171 -20.6171 -20.5256 -20.5256 -20.1910 -20.1910 -20.0474 -20.0474 -19.8884 -19.8884 -8.2294 -8.2294 1.3644 1.3644 2.7340 2.7340 2.7452 2.7452 3.5327 3.5327 7.2844 7.2844 9.9049 9.9049 9.9143 9.9143 k = 0.0000 0.0000 0.2476 ( 4889 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8922 -20.8922 -20.8485 -20.8485 -20.7277 -20.7277 -20.6171 -20.6171 -20.5256 -20.5256 -20.1910 -20.1910 -20.0474 -20.0474 -19.8890 -19.8890 -8.2234 -8.2234 1.3230 1.3230 2.7354 2.7354 2.7466 2.7466 3.6094 3.6094 7.1563 7.1563 9.9474 9.9474 9.9566 9.9566 k = 0.0000 0.0000 0.2613 ( 4895 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8923 -20.8923 -20.8485 -20.8485 -20.7278 -20.7278 -20.6171 -20.6171 -20.5256 -20.5256 -20.1911 -20.1911 -20.0475 -20.0475 -19.8895 -19.8895 -8.2174 -8.2174 1.2833 1.2833 2.7368 2.7368 2.7481 2.7481 3.6874 3.6874 7.0296 7.0296 9.9922 9.9922 10.0014 10.0014 k = 0.0000 0.0000 0.2751 ( 4895 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8923 -20.8923 -20.8485 -20.8485 -20.7278 -20.7278 -20.6171 -20.6171 -20.5255 -20.5255 -20.1912 -20.1912 -20.0475 -20.0475 -19.8901 -19.8901 -8.2115 -8.2115 1.2453 1.2453 2.7383 2.7383 2.7495 2.7495 3.7668 3.7668 6.9042 6.9042 10.0395 10.0395 10.0485 10.0485 k = 0.0000 0.0000 0.2888 ( 4907 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8924 -20.8924 -20.8486 -20.8486 -20.7279 -20.7279 -20.6171 -20.6171 -20.5255 -20.5255 -20.1913 -20.1913 -20.0476 -20.0476 -19.8906 -19.8906 -8.2057 -8.2057 1.2093 1.2093 2.7396 2.7396 2.7508 2.7508 3.8474 3.8474 6.7803 6.7803 10.0892 10.0892 10.0981 10.0981 k = 0.0000 0.0000 0.3026 ( 4907 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8924 -20.8924 -20.8486 -20.8486 -20.7279 -20.7279 -20.6171 -20.6171 -20.5255 -20.5255 -20.1914 -20.1914 -20.0476 -20.0476 -19.8911 -19.8911 -8.2000 -8.2000 1.1752 1.1752 2.7410 2.7410 2.7521 2.7521 3.9294 3.9294 6.6578 6.6578 10.1413 10.1413 10.1500 10.1500 k = 0.0000 0.0000 0.3163 ( 4907 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8925 -20.8925 -20.8485 -20.8485 -20.7279 -20.7279 -20.6170 -20.6170 -20.5254 -20.5254 -20.1914 -20.1914 -20.0476 -20.0476 -19.8916 -19.8916 -8.1945 -8.1945 1.1432 1.1432 2.7423 2.7423 2.7534 2.7534 4.0127 4.0127 6.5369 6.5369 10.1957 10.1957 10.2042 10.2042 k = 0.0000 0.0000 0.3301 ( 4907 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8925 -20.8925 -20.8485 -20.8485 -20.7280 -20.7280 -20.6170 -20.6170 -20.5254 -20.5254 -20.1915 -20.1915 -20.0476 -20.0476 -19.8920 -19.8920 -8.1893 -8.1893 1.1134 1.1134 2.7435 2.7435 2.7547 2.7547 4.0972 4.0972 6.4176 6.4176 10.2524 10.2524 10.2608 10.2608 k = 0.0000 0.0000 0.3438 ( 4930 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9948 -20.9948 -20.8926 -20.8926 -20.8486 -20.8486 -20.7282 -20.7282 -20.6170 -20.6170 -20.5254 -20.5254 -20.1916 -20.1916 -20.0477 -20.0477 -19.8926 -19.8926 -8.1843 -8.1843 1.0859 1.0859 2.7447 2.7447 2.7558 2.7558 4.1830 4.1830 6.2999 6.2999 10.3115 10.3115 10.3196 10.3196 k = 0.0000 0.0000 0.3576 ( 4918 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8926 -20.8926 -20.8486 -20.8486 -20.7282 -20.7282 -20.6170 -20.6170 -20.5254 -20.5254 -20.1916 -20.1916 -20.0477 -20.0477 -19.8929 -19.8929 -8.1797 -8.1797 1.0607 1.0607 2.7458 2.7458 2.7569 2.7569 4.2699 4.2699 6.1841 6.1841 10.3727 10.3727 10.3806 10.3806 k = 0.0000 0.0000 0.3713 ( 4918 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8926 -20.8926 -20.8486 -20.8486 -20.7282 -20.7282 -20.6170 -20.6170 -20.5253 -20.5253 -20.1917 -20.1917 -20.0477 -20.0477 -19.8933 -19.8933 -8.1755 -8.1755 1.0380 1.0380 2.7468 2.7468 2.7579 2.7579 4.3577 4.3577 6.0702 6.0702 10.4361 10.4361 10.4436 10.4436 k = 0.0000 0.0000 0.3851 ( 4918 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8927 -20.8927 -20.8485 -20.8485 -20.7282 -20.7282 -20.6169 -20.6169 -20.5253 -20.5253 -20.1917 -20.1917 -20.0477 -20.0477 -19.8936 -19.8936 -8.1717 -8.1717 1.0177 1.0177 2.7477 2.7477 2.7588 2.7588 4.4464 4.4464 5.9585 5.9585 10.5015 10.5015 10.5086 10.5086 k = 0.0000 0.0000 0.3988 ( 4924 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9947 -20.9947 -20.8927 -20.8927 -20.8485 -20.8485 -20.7283 -20.7283 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0478 -20.0478 -19.8939 -19.8939 -8.1683 -8.1683 1.0001 1.0001 2.7485 2.7485 2.7596 2.7596 4.5355 4.5355 5.8494 5.8494 10.5686 10.5686 10.5753 10.5753 k = 0.0000 0.0000 0.4126 ( 4900 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8927 -20.8927 -20.8484 -20.8484 -20.7281 -20.7281 -20.6169 -20.6169 -20.5253 -20.5253 -20.1917 -20.1917 -20.0477 -20.0477 -19.8941 -19.8941 -8.1654 -8.1654 0.9851 0.9851 2.7492 2.7492 2.7602 2.7602 4.6245 4.6245 5.7435 5.7435 10.6370 10.6370 10.6431 10.6431 k = 0.0000 0.0000 0.4264 ( 4894 PWs) bands (ev): -48.8676 -48.8676 -48.7737 -48.7737 -48.0869 -48.0869 -20.9946 -20.9946 -20.8928 -20.8928 -20.8484 -20.8484 -20.7281 -20.7281 -20.6169 -20.6169 -20.5252 -20.5252 -20.1917 -20.1917 -20.0477 -20.0477 -19.8943 -19.8943 -8.1629 -8.1629 0.9727 0.9727 2.7498 2.7498 2.7608 2.7608 4.7122 4.7122 5.6418 5.6418 10.7060 10.7060 10.7114 10.7114 k = 0.0000 0.0000 0.4401 ( 4894 PWs) bands (ev): -48.8676 -48.8676 -48.7737 -48.7737 -48.0869 -48.0869 -20.9946 -20.9946 -20.8928 -20.8928 -20.8484 -20.8484 -20.7281 -20.7281 -20.6169 -20.6169 -20.5252 -20.5252 -20.1917 -20.1917 -20.0477 -20.0477 -19.8945 -19.8945 -8.1610 -8.1610 0.9630 0.9630 2.7502 2.7502 2.7613 2.7613 4.7967 4.7967 5.5465 5.5465 10.7739 10.7739 10.7783 10.7783 k = 0.0000 0.0000 0.4539 ( 4912 PWs) bands (ev): -48.8676 -48.8676 -48.7737 -48.7737 -48.0869 -48.0869 -20.9946 -20.9946 -20.8930 -20.8930 -20.8484 -20.8484 -20.7281 -20.7281 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8947 -19.8947 -8.1597 -8.1597 0.9561 0.9561 2.7505 2.7505 2.7616 2.7616 4.8735 4.8735 5.4620 5.4620 10.8374 10.8374 10.8403 10.8403 k = 0.0000 0.0000 0.4676 ( 4912 PWs) bands (ev): -48.8676 -48.8676 -48.7737 -48.7737 -48.0869 -48.0869 -20.9946 -20.9946 -20.8930 -20.8930 -20.8484 -20.8484 -20.7281 -20.7281 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8947 -19.8947 -8.1588 -8.1588 0.9519 0.9519 2.7507 2.7507 2.7618 2.7618 4.9325 4.9325 5.3982 5.3982 10.8880 10.8880 10.8891 10.8891 k = 0.0000 0.0000 0.4814 ( 4918 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8929 -20.8929 -20.8484 -20.8484 -20.7283 -20.7283 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8948 -19.8948 -8.1586 -8.1586 0.9505 0.9505 2.7508 2.7508 2.7618 2.7618 4.9562 4.9562 5.3730 5.3730 10.9090 10.9090 10.9090 10.9090 k = 0.0000 0.0000 0.4814 ( 4918 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8929 -20.8929 -20.8484 -20.8484 -20.7283 -20.7283 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8948 -19.8948 -8.1586 -8.1586 0.9505 0.9505 2.7508 2.7508 2.7618 2.7618 4.9562 4.9562 5.3730 5.3730 10.9090 10.9090 10.9090 10.9090 k = 0.0122 0.0070 0.4814 ( 4908 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9945 -20.9945 -20.8930 -20.8930 -20.8483 -20.8483 -20.7282 -20.7282 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8947 -19.8947 -8.1583 -8.1583 0.9516 0.9516 2.7491 2.7491 2.7605 2.7605 4.9558 4.9558 5.3773 5.3773 10.8700 10.8700 10.8934 10.8934 k = 0.0244 0.0141 0.4814 ( 4904 PWs) bands (ev): -48.8675 -48.8675 -48.7739 -48.7739 -48.0869 -48.0869 -20.9945 -20.9945 -20.8931 -20.8931 -20.8482 -20.8482 -20.7283 -20.7283 -20.6169 -20.6169 -20.5254 -20.5254 -20.1918 -20.1918 -20.0477 -20.0477 -19.8947 -19.8947 -8.1577 -8.1577 0.9548 0.9548 2.7426 2.7426 2.7579 2.7579 4.9545 4.9545 5.3902 5.3902 10.7687 10.7687 10.8504 10.8504 k = 0.0366 0.0211 0.4814 ( 4908 PWs) bands (ev): -48.8673 -48.8673 -48.7740 -48.7740 -48.0869 -48.0869 -20.9944 -20.9944 -20.8933 -20.8933 -20.8479 -20.8479 -20.7285 -20.7285 -20.6168 -20.6168 -20.5256 -20.5256 -20.1918 -20.1918 -20.0478 -20.0478 -19.8947 -19.8947 -8.1566 -8.1566 0.9601 0.9601 2.7297 2.7297 2.7558 2.7558 4.9524 4.9524 5.4113 5.4113 10.6314 10.6314 10.7886 10.7886 k = 0.0488 0.0282 0.4814 ( 4900 PWs) bands (ev): -48.8671 -48.8671 -48.7742 -48.7742 -48.0869 -48.0869 -20.9942 -20.9942 -20.8936 -20.8936 -20.8476 -20.8476 -20.7287 -20.7287 -20.6166 -20.6166 -20.5259 -20.5259 -20.1918 -20.1918 -20.0478 -20.0478 -19.8946 -19.8946 -8.1551 -8.1551 0.9676 0.9676 2.7110 2.7110 2.7540 2.7540 4.9493 4.9493 5.4405 5.4405 10.4760 10.4760 10.7154 10.7154 k = 0.0610 0.0352 0.4814 ( 4908 PWs) bands (ev): -48.8668 -48.8668 -48.7745 -48.7745 -48.0869 -48.0869 -20.9940 -20.9940 -20.8941 -20.8941 -20.8472 -20.8472 -20.7291 -20.7291 -20.6165 -20.6165 -20.5262 -20.5262 -20.1918 -20.1918 -20.0478 -20.0478 -19.8946 -19.8946 -8.1532 -8.1532 0.9771 0.9771 2.6873 2.6873 2.7520 2.7520 4.9454 4.9454 5.4772 5.4772 10.3116 10.3116 10.6361 10.6361 k = 0.0732 0.0422 0.4814 ( 4904 PWs) bands (ev): -48.8665 -48.8665 -48.7749 -48.7749 -48.0869 -48.0869 -20.9937 -20.9937 -20.8946 -20.8946 -20.8466 -20.8466 -20.7295 -20.7295 -20.6163 -20.6163 -20.5266 -20.5266 -20.1918 -20.1918 -20.0478 -20.0478 -19.8945 -19.8945 -8.1508 -8.1508 0.9888 0.9888 2.6593 2.6593 2.7499 2.7499 4.9407 4.9407 5.5210 5.5210 10.1430 10.1430 10.5538 10.5538 k = 0.0854 0.0493 0.4814 ( 4908 PWs) bands (ev): -48.8661 -48.8661 -48.7753 -48.7753 -48.0869 -48.0869 -20.9934 -20.9934 -20.8953 -20.8953 -20.8460 -20.8460 -20.7299 -20.7299 -20.6161 -20.6161 -20.5271 -20.5271 -20.1919 -20.1919 -20.0479 -20.0479 -19.8944 -19.8944 -8.1481 -8.1481 1.0025 1.0025 2.6273 2.6273 2.7474 2.7474 4.9350 4.9350 5.5714 5.5714 9.9729 9.9729 10.4705 10.4705 k = 0.0976 0.0563 0.4814 ( 4916 PWs) bands (ev): -48.8656 -48.8656 -48.7757 -48.7757 -48.0869 -48.0869 -20.9931 -20.9931 -20.8960 -20.8960 -20.8453 -20.8453 -20.7305 -20.7305 -20.6159 -20.6159 -20.5276 -20.5276 -20.1919 -20.1919 -20.0480 -20.0480 -19.8944 -19.8944 -8.1450 -8.1450 1.0182 1.0182 2.5922 2.5922 2.7446 2.7446 4.9285 4.9285 5.6276 5.6276 9.8029 9.8029 10.3873 10.3873 k = 0.1098 0.0634 0.4814 ( 4916 PWs) bands (ev): -48.8651 -48.8651 -48.7762 -48.7762 -48.0869 -48.0869 -20.9927 -20.9927 -20.8967 -20.8967 -20.8444 -20.8444 -20.7311 -20.7311 -20.6158 -20.6158 -20.5281 -20.5281 -20.1920 -20.1920 -20.0480 -20.0480 -19.8943 -19.8943 -8.1415 -8.1415 1.0359 1.0359 2.5542 2.5542 2.7416 2.7416 4.9210 4.9210 5.6893 5.6893 9.6341 9.6341 10.3050 10.3050 k = 0.1220 0.0704 0.4814 ( 4910 PWs) bands (ev): -48.8646 -48.8646 -48.7768 -48.7768 -48.0869 -48.0869 -20.9922 -20.9922 -20.8976 -20.8976 -20.8434 -20.8434 -20.7317 -20.7317 -20.6156 -20.6156 -20.5287 -20.5287 -20.1920 -20.1920 -20.0481 -20.0481 -19.8942 -19.8942 -8.1377 -8.1377 1.0557 1.0557 2.5141 2.5141 2.7383 2.7383 4.9127 4.9127 5.7558 5.7558 9.4671 9.4671 10.2242 10.2242 k = 0.1341 0.0774 0.4814 ( 4906 PWs) bands (ev): -48.8640 -48.8640 -48.7774 -48.7774 -48.0869 -48.0869 -20.9917 -20.9917 -20.8984 -20.8984 -20.8424 -20.8424 -20.7325 -20.7325 -20.6155 -20.6155 -20.5292 -20.5292 -20.1920 -20.1920 -20.0481 -20.0481 -19.8941 -19.8941 -8.1336 -8.1336 1.0773 1.0773 2.4723 2.4723 2.7347 2.7347 4.9034 4.9034 5.8265 5.8265 9.3024 9.3024 10.1451 10.1451 k = 0.1463 0.0845 0.4814 ( 4910 PWs) bands (ev): -48.8633 -48.8633 -48.7781 -48.7781 -48.0869 -48.0869 -20.9913 -20.9913 -20.8994 -20.8994 -20.8412 -20.8412 -20.7333 -20.7333 -20.6154 -20.6154 -20.5298 -20.5298 -20.1920 -20.1920 -20.0482 -20.0482 -19.8940 -19.8940 -8.1292 -8.1292 1.1008 1.1008 2.4291 2.4291 2.7309 2.7309 4.8932 4.8932 5.9010 5.9010 9.1405 9.1405 10.0679 10.0679 k = 0.1585 0.0915 0.4814 ( 4906 PWs) bands (ev): -48.8626 -48.8626 -48.7788 -48.7788 -48.0869 -48.0869 -20.9908 -20.9908 -20.9003 -20.9003 -20.8400 -20.8400 -20.7341 -20.7341 -20.6154 -20.6154 -20.5303 -20.5303 -20.1921 -20.1921 -20.0483 -20.0483 -19.8939 -19.8939 -8.1245 -8.1245 1.1262 1.1262 2.3850 2.3850 2.7269 2.7269 4.8821 4.8821 5.9788 5.9788 8.9816 8.9816 9.9929 9.9929 k = 0.1707 0.0986 0.4814 ( 4902 PWs) bands (ev): -48.8618 -48.8618 -48.7796 -48.7796 -48.0869 -48.0869 -20.9902 -20.9902 -20.9013 -20.9013 -20.8386 -20.8386 -20.7350 -20.7350 -20.6155 -20.6155 -20.5308 -20.5308 -20.1921 -20.1921 -20.0483 -20.0483 -19.8937 -19.8937 -8.1196 -8.1196 1.1533 1.1533 2.3404 2.3404 2.7227 2.7227 4.8700 4.8700 6.0594 6.0594 8.8260 8.8260 9.9202 9.9202 k = 0.1829 0.1056 0.4814 ( 4910 PWs) bands (ev): -48.8610 -48.8610 -48.7804 -48.7804 -48.0869 -48.0869 -20.9897 -20.9897 -20.9023 -20.9023 -20.8373 -20.8373 -20.7360 -20.7360 -20.6157 -20.6157 -20.5314 -20.5314 -20.1922 -20.1922 -20.0484 -20.0484 -19.8936 -19.8936 -8.1145 -8.1145 1.1821 1.1821 2.2956 2.2956 2.7183 2.7183 4.8569 4.8569 6.1424 6.1424 8.6740 8.6740 9.8499 9.8499 k = 0.1951 0.1127 0.4814 ( 4916 PWs) bands (ev): -48.8601 -48.8601 -48.7813 -48.7813 -48.0869 -48.0869 -20.9892 -20.9892 -20.9034 -20.9034 -20.8358 -20.8358 -20.7370 -20.7370 -20.6160 -20.6160 -20.5318 -20.5318 -20.1923 -20.1923 -20.0486 -20.0486 -19.8935 -19.8935 -8.1092 -8.1092 1.2126 1.2126 2.2509 2.2509 2.7138 2.7138 4.8428 4.8428 6.2273 6.2273 8.5257 8.5257 9.7820 9.7820 k = 0.2073 0.1197 0.4814 ( 4924 PWs) bands (ev): -48.8592 -48.8592 -48.7822 -48.7822 -48.0869 -48.0869 -20.9887 -20.9887 -20.9044 -20.9044 -20.8343 -20.8343 -20.7381 -20.7381 -20.6164 -20.6164 -20.5322 -20.5322 -20.1923 -20.1923 -20.0487 -20.0487 -19.8934 -19.8934 -8.1037 -8.1037 1.2445 1.2445 2.2066 2.2066 2.7092 2.7092 4.8277 4.8277 6.3139 6.3139 8.3815 8.3815 9.7166 9.7166 k = 0.2195 0.1267 0.4814 ( 4904 PWs) bands (ev): -48.8582 -48.8582 -48.7832 -48.7832 -48.0869 -48.0869 -20.9882 -20.9882 -20.9054 -20.9054 -20.8326 -20.8326 -20.7392 -20.7392 -20.6167 -20.6167 -20.5324 -20.5324 -20.1923 -20.1923 -20.0487 -20.0487 -19.8932 -19.8932 -8.0982 -8.0982 1.2780 1.2780 2.1629 2.1629 2.7045 2.7045 4.8116 4.8116 6.4017 6.4017 8.2415 8.2415 9.6537 9.6537 k = 0.2317 0.1338 0.4814 ( 4904 PWs) bands (ev): -48.8572 -48.8572 -48.7842 -48.7842 -48.0869 -48.0869 -20.9876 -20.9876 -20.9064 -20.9064 -20.8308 -20.8308 -20.7404 -20.7404 -20.6172 -20.6172 -20.5327 -20.5327 -20.1924 -20.1924 -20.0488 -20.0488 -19.8931 -19.8931 -8.0925 -8.0925 1.3127 1.3127 2.1200 2.1200 2.6998 2.6998 4.7944 4.7944 6.4903 6.4903 8.1059 8.1059 9.5934 9.5934 k = 0.2439 0.1408 0.4814 ( 4912 PWs) bands (ev): -48.8562 -48.8562 -48.7852 -48.7852 -48.0869 -48.0869 -20.9872 -20.9872 -20.9074 -20.9074 -20.8291 -20.8291 -20.7416 -20.7416 -20.6179 -20.6179 -20.5329 -20.5329 -20.1925 -20.1925 -20.0489 -20.0489 -19.8930 -19.8930 -8.0868 -8.0868 1.3487 1.3487 2.0781 2.0781 2.6950 2.6950 4.7761 4.7761 6.5795 6.5795 7.9750 7.9750 9.5357 9.5357 k = 0.2561 0.1479 0.4814 ( 4908 PWs) bands (ev): -48.8551 -48.8551 -48.7863 -48.7863 -48.0869 -48.0869 -20.9867 -20.9867 -20.9084 -20.9084 -20.8272 -20.8272 -20.7429 -20.7429 -20.6186 -20.6186 -20.5330 -20.5330 -20.1925 -20.1925 -20.0490 -20.0490 -19.8929 -19.8929 -8.0811 -8.0811 1.3858 1.3858 2.0373 2.0373 2.6902 2.6902 4.7568 4.7568 6.6689 6.6689 7.8488 7.8488 9.4807 9.4807 k = 0.2683 0.1549 0.4814 ( 4916 PWs) bands (ev): -48.8540 -48.8540 -48.7874 -48.7874 -48.0869 -48.0869 -20.9863 -20.9863 -20.9094 -20.9094 -20.8253 -20.8253 -20.7443 -20.7443 -20.6194 -20.6194 -20.5330 -20.5330 -20.1926 -20.1926 -20.0491 -20.0491 -19.8928 -19.8928 -8.0754 -8.0754 1.4237 1.4237 1.9979 1.9979 2.6855 2.6855 4.7364 4.7364 6.7581 6.7581 7.7277 7.7277 9.4282 9.4282 k = 0.2805 0.1619 0.4814 ( 4926 PWs) bands (ev): -48.8529 -48.8529 -48.7885 -48.7885 -48.0869 -48.0869 -20.9859 -20.9859 -20.9103 -20.9103 -20.8233 -20.8233 -20.7458 -20.7458 -20.6203 -20.6203 -20.5330 -20.5330 -20.1927 -20.1927 -20.0492 -20.0492 -19.8927 -19.8927 -8.0698 -8.0698 1.4625 1.4625 1.9599 1.9599 2.6808 2.6808 4.7150 4.7150 6.8469 6.8469 7.6119 7.6119 9.3784 9.3784 k = 0.2927 0.1690 0.4814 ( 4924 PWs) bands (ev): -48.8517 -48.8517 -48.7897 -48.7897 -48.0869 -48.0869 -20.9855 -20.9855 -20.9112 -20.9112 -20.8212 -20.8212 -20.7472 -20.7472 -20.6213 -20.6213 -20.5329 -20.5329 -20.1927 -20.1927 -20.0493 -20.0493 -19.8926 -19.8926 -8.0642 -8.0642 1.5018 1.5018 1.9234 1.9234 2.6762 2.6762 4.6927 4.6927 6.9349 6.9349 7.5015 7.5015 9.3313 9.3313 k = 0.3049 0.1760 0.4814 ( 4924 PWs) bands (ev): -48.8506 -48.8506 -48.7909 -48.7909 -48.0869 -48.0869 -20.9851 -20.9851 -20.9120 -20.9120 -20.8191 -20.8191 -20.7488 -20.7488 -20.6222 -20.6222 -20.5327 -20.5327 -20.1928 -20.1928 -20.0494 -20.0494 -19.8925 -19.8925 -8.0587 -8.0587 1.5416 1.5416 1.8886 1.8886 2.6717 2.6717 4.6694 4.6694 7.0217 7.0217 7.3967 7.3967 9.2868 9.2868 k = 0.3171 0.1831 0.4814 ( 4918 PWs) bands (ev): -48.8494 -48.8494 -48.7920 -48.7920 -48.0869 -48.0869 -20.9848 -20.9848 -20.9127 -20.9127 -20.8169 -20.8169 -20.7504 -20.7504 -20.6232 -20.6232 -20.5325 -20.5325 -20.1928 -20.1928 -20.0494 -20.0494 -19.8924 -19.8924 -8.0534 -8.0534 1.5814 1.5814 1.8556 1.8556 2.6674 2.6674 4.6452 4.6452 7.1070 7.1070 7.2977 7.2977 9.2450 9.2450 k = 0.3293 0.1901 0.4814 ( 4918 PWs) bands (ev): -48.8482 -48.8482 -48.7932 -48.7932 -48.0869 -48.0869 -20.9845 -20.9845 -20.9134 -20.9134 -20.8147 -20.8147 -20.7520 -20.7520 -20.6243 -20.6243 -20.5323 -20.5323 -20.1929 -20.1929 -20.0495 -20.0495 -19.8923 -19.8923 -8.0483 -8.0483 1.6212 1.6212 1.8244 1.8244 2.6632 2.6632 4.6204 4.6204 7.1904 7.1904 7.2047 7.2047 9.2059 9.2059 k = 0.3415 0.1971 0.4814 ( 4922 PWs) bands (ev): -48.8470 -48.8470 -48.7944 -48.7944 -48.0869 -48.0869 -20.9842 -20.9842 -20.9141 -20.9141 -20.8124 -20.8124 -20.7538 -20.7538 -20.6253 -20.6253 -20.5320 -20.5320 -20.1929 -20.1929 -20.0496 -20.0496 -19.8922 -19.8922 -8.0434 -8.0434 1.6606 1.6606 1.7951 1.7951 2.6592 2.6592 4.5950 4.5950 7.1178 7.1178 7.2717 7.2717 9.1694 9.1694 k = 0.3537 0.2042 0.4814 ( 4914 PWs) bands (ev): -48.8458 -48.8458 -48.7956 -48.7956 -48.0868 -48.0868 -20.9840 -20.9840 -20.9147 -20.9147 -20.8101 -20.8101 -20.7555 -20.7555 -20.6263 -20.6263 -20.5316 -20.5316 -20.1929 -20.1929 -20.0496 -20.0496 -19.8921 -19.8921 -8.0387 -8.0387 1.6994 1.6994 1.7679 1.7679 2.6554 2.6554 4.5693 4.5693 7.0371 7.0371 7.3504 7.3504 9.1357 9.1357 k = 0.3659 0.2112 0.4814 ( 4906 PWs) bands (ev): -48.8446 -48.8446 -48.7968 -48.7968 -48.0868 -48.0868 -20.9837 -20.9837 -20.9153 -20.9153 -20.8077 -20.8077 -20.7573 -20.7573 -20.6272 -20.6272 -20.5313 -20.5313 -20.1930 -20.1930 -20.0497 -20.0497 -19.8920 -19.8920 -8.0343 -8.0343 1.7358 1.7358 1.7439 1.7439 2.6518 2.6518 4.5435 4.5435 6.9628 6.9628 7.4260 7.4260 9.1046 9.1046 k = 0.3780 0.2183 0.4814 ( 4902 PWs) bands (ev): -48.8435 -48.8435 -48.7980 -48.7980 -48.0868 -48.0868 -20.9836 -20.9836 -20.9157 -20.9157 -20.8054 -20.8054 -20.7592 -20.7592 -20.6282 -20.6282 -20.5310 -20.5310 -20.1930 -20.1930 -20.0497 -20.0497 -19.8919 -19.8919 -8.0302 -8.0302 1.7189 1.7189 1.7739 1.7739 2.6485 2.6485 4.5179 4.5179 6.8949 6.8949 7.4982 7.4982 9.0763 9.0763 k = 0.3902 0.2253 0.4814 ( 4908 PWs) bands (ev): -48.8423 -48.8423 -48.7991 -48.7991 -48.0868 -48.0868 -20.9834 -20.9834 -20.9162 -20.9162 -20.8030 -20.8030 -20.7612 -20.7612 -20.6291 -20.6291 -20.5307 -20.5307 -20.1930 -20.1930 -20.0498 -20.0498 -19.8919 -19.8919 -8.0264 -8.0264 1.6979 1.6979 1.8086 1.8086 2.6454 2.6454 4.4929 4.4929 6.8335 6.8335 7.5664 7.5664 9.0506 9.0506 k = 0.4024 0.2323 0.4814 ( 4910 PWs) bands (ev): -48.8413 -48.8413 -48.8002 -48.8002 -48.0868 -48.0868 -20.9834 -20.9834 -20.9166 -20.9166 -20.8006 -20.8006 -20.7633 -20.7633 -20.6299 -20.6299 -20.5304 -20.5304 -20.1931 -20.1931 -20.0498 -20.0498 -19.8919 -19.8919 -8.0230 -8.0230 1.6789 1.6789 1.8412 1.8412 2.6427 2.6427 4.4689 4.4689 6.7786 6.7786 7.6302 7.6302 9.0276 9.0276 k = 0.4146 0.2394 0.4814 ( 4914 PWs) bands (ev): -48.8402 -48.8402 -48.8012 -48.8012 -48.0868 -48.0868 -20.9833 -20.9833 -20.9169 -20.9169 -20.7981 -20.7981 -20.7653 -20.7653 -20.6307 -20.6307 -20.5302 -20.5302 -20.1931 -20.1931 -20.0499 -20.0499 -19.8918 -19.8918 -8.0198 -8.0198 1.6620 1.6620 1.8713 1.8713 2.6402 2.6402 4.4462 4.4462 6.7303 6.7303 7.6890 7.6890 9.0074 9.0074 k = 0.4268 0.2464 0.4814 ( 4914 PWs) bands (ev): -48.8393 -48.8393 -48.8021 -48.8021 -48.0868 -48.0868 -20.9832 -20.9832 -20.9172 -20.9172 -20.7957 -20.7957 -20.7675 -20.7675 -20.6314 -20.6314 -20.5299 -20.5299 -20.1932 -20.1932 -20.0499 -20.0499 -19.8918 -19.8918 -8.0171 -8.0171 1.6473 1.6473 1.8984 1.8984 2.6380 2.6380 4.4253 4.4253 6.6885 6.6885 7.7421 7.7421 8.9898 8.9898 k = 0.4390 0.2535 0.4814 ( 4926 PWs) bands (ev): -48.8385 -48.8385 -48.8030 -48.8030 -48.0868 -48.0868 -20.9831 -20.9831 -20.9175 -20.9175 -20.7933 -20.7933 -20.7696 -20.7696 -20.6321 -20.6321 -20.5297 -20.5297 -20.1932 -20.1932 -20.0500 -20.0500 -19.8918 -19.8918 -8.0148 -8.0148 1.6349 1.6349 1.9223 1.9223 2.6361 2.6361 4.4067 4.4067 6.6532 6.6532 7.7889 7.7889 8.9749 8.9749 k = 0.4512 0.2605 0.4814 ( 4926 PWs) bands (ev): -48.8378 -48.8378 -48.8037 -48.8037 -48.0868 -48.0868 -20.9831 -20.9831 -20.9177 -20.9177 -20.7909 -20.7909 -20.7719 -20.7719 -20.6326 -20.6326 -20.5295 -20.5295 -20.1932 -20.1932 -20.0500 -20.0500 -19.8918 -19.8918 -8.0129 -8.0129 1.6247 1.6247 1.9424 1.9424 2.6346 2.6346 4.3908 4.3908 6.6244 6.6244 7.8286 7.8286 8.9628 9.0342 k = 0.4634 0.2676 0.4814 ( 4920 PWs) bands (ev): -48.8371 -48.8371 -48.8043 -48.8043 -48.0868 -48.0868 -20.9831 -20.9831 -20.9178 -20.9178 -20.7884 -20.7884 -20.7741 -20.7741 -20.6330 -20.6330 -20.5293 -20.5293 -20.1932 -20.1932 -20.0500 -20.0500 -19.8918 -19.8918 -8.0113 -8.0113 1.6168 1.6168 1.9585 1.9585 2.6334 2.6334 4.3779 4.3779 6.6020 6.6020 7.8605 7.8605 8.9533 8.9533 k = 0.4756 0.2746 0.4814 ( 4920 PWs) bands (ev): -48.8367 -48.8367 -48.8047 -48.8047 -48.0868 -48.0868 -20.9831 -20.9831 -20.9180 -20.9180 -20.7860 -20.7860 -20.7764 -20.7764 -20.6333 -20.6333 -20.5292 -20.5292 -20.1932 -20.1932 -20.0500 -20.0500 -19.8918 -19.8918 -8.0103 -8.0103 1.6111 1.6111 1.9701 1.9701 2.6325 2.6325 4.3685 4.3685 6.5861 6.5861 7.8839 7.8839 8.9466 8.9948 k = 0.4878 0.2816 0.4814 ( 4924 PWs) bands (ev): -48.8364 -48.8364 -48.8050 -48.8050 -48.0868 -48.0868 -20.9830 -20.9830 -20.9180 -20.9180 -20.7837 -20.7837 -20.7787 -20.7787 -20.6335 -20.6335 -20.5290 -20.5290 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0096 -8.0096 1.6077 1.6077 1.9773 1.9773 2.6320 2.6320 4.3627 4.3627 6.5765 6.5765 7.8982 7.8982 8.9425 8.9845 k = 0.5000 0.2887 0.4814 ( 4928 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9181 -20.9181 -20.7819 -20.7819 -20.7805 -20.7805 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0094 -8.0094 1.6065 1.6065 1.9796 1.9796 2.6318 2.6318 4.3608 4.3608 6.5734 6.5734 7.9031 7.9031 8.9811 8.9811 k = 0.5000 0.2887 0.4814 ( 4928 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9181 -20.9181 -20.7819 -20.7819 -20.7805 -20.7805 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0094 -8.0094 1.6065 1.6065 1.9796 1.9796 2.6318 2.6318 4.3608 4.3608 6.5734 6.5734 7.9031 7.9031 8.9411 8.9811 k = 0.4931 0.3007 0.4814 ( 4928 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9832 -20.9832 -20.9179 -20.9179 -20.7828 -20.7828 -20.7794 -20.7794 -20.6338 -20.6338 -20.5290 -20.5290 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0093 -8.0093 1.6073 1.6073 1.9801 1.9801 2.6300 2.6300 4.3621 4.3621 6.5689 6.5689 7.9066 7.9066 8.9400 8.9400 k = 0.4861 0.3127 0.4814 ( 4916 PWs) bands (ev): -48.8362 -48.8362 -48.8052 -48.8052 -48.0868 -48.0868 -20.9835 -20.9835 -20.9175 -20.9175 -20.7841 -20.7841 -20.7778 -20.7778 -20.6343 -20.6343 -20.5287 -20.5287 -20.1932 -20.1932 -20.0501 -20.0501 -19.8917 -19.8917 -8.0091 -8.0091 1.6097 1.6097 1.9816 1.9816 2.6245 2.6245 4.3661 4.3661 6.5556 6.5556 7.9170 7.9170 8.9364 8.9364 k = 0.4792 0.3248 0.4814 ( 4926 PWs) bands (ev): -48.8361 -48.8361 -48.8054 -48.8054 -48.0868 -48.0868 -20.9841 -20.9841 -20.9168 -20.9168 -20.7854 -20.7854 -20.7761 -20.7761 -20.6353 -20.6353 -20.5284 -20.5284 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0088 -8.0088 1.6137 1.6137 1.9839 1.9839 2.6155 2.6155 4.3727 4.3727 6.5337 6.5337 7.9343 7.9343 8.9308 8.9308 k = 0.4722 0.3368 0.4814 ( 4926 PWs) bands (ev): -48.8359 -48.8359 -48.8056 -48.8056 -48.0868 -48.0868 -20.9850 -20.9850 -20.9159 -20.9159 -20.7866 -20.7866 -20.7743 -20.7743 -20.6366 -20.6366 -20.5279 -20.5279 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0084 -8.0084 1.6193 1.6193 1.9872 1.9872 2.6031 2.6031 4.3819 4.3819 6.5035 6.5035 7.9583 7.9583 8.9234 8.9234 k = 0.4653 0.3488 0.4814 ( 4926 PWs) bands (ev): -48.8356 -48.8356 -48.8058 -48.8058 -48.0868 -48.0868 -20.9859 -20.9859 -20.9148 -20.9148 -20.7877 -20.7877 -20.7723 -20.7723 -20.6382 -20.6382 -20.5272 -20.5272 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0079 -8.0079 1.6264 1.6264 1.9914 1.9914 2.5874 2.5874 4.3938 4.3938 6.4654 6.4654 7.9889 7.9889 8.9146 8.9146 k = 0.4583 0.3608 0.4814 ( 4928 PWs) bands (ev): -48.8353 -48.8353 -48.8062 -48.8062 -48.0868 -48.0868 -20.9871 -20.9871 -20.9135 -20.9135 -20.7888 -20.7888 -20.7702 -20.7702 -20.6401 -20.6401 -20.5265 -20.5265 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0072 -8.0072 1.6351 1.6351 1.9964 1.9964 2.5686 2.5686 4.4084 4.4084 6.4201 6.4201 8.0256 8.0256 8.9047 8.9047 k = 0.4514 0.3729 0.4814 ( 4932 PWs) bands (ev): -48.8349 -48.8349 -48.8066 -48.8066 -48.0868 -48.0868 -20.9884 -20.9884 -20.9121 -20.9121 -20.7898 -20.7898 -20.7680 -20.7680 -20.6424 -20.6424 -20.5257 -20.5257 -20.1933 -20.1933 -20.0502 -20.0502 -19.8918 -19.8918 -8.0065 -8.0065 1.6453 1.6453 2.0023 2.0023 2.5469 2.5469 4.4256 4.4256 6.3682 6.3682 8.0682 8.0682 8.8941 8.8941 k = 0.4444 0.3849 0.4814 ( 4936 PWs) bands (ev): -48.8345 -48.8345 -48.8070 -48.8070 -48.0868 -48.0868 -20.9898 -20.9898 -20.9106 -20.9106 -20.7908 -20.7908 -20.7657 -20.7657 -20.6450 -20.6450 -20.5248 -20.5248 -20.1933 -20.1933 -20.0502 -20.0502 -19.8918 -19.8918 -8.0057 -8.0057 1.6569 1.6569 2.0088 2.0088 2.5226 2.5226 4.4454 4.4454 6.3103 6.3103 8.1163 8.1163 8.8833 8.8833 k = 0.4375 0.3969 0.4814 ( 4936 PWs) bands (ev): -48.8340 -48.8340 -48.8075 -48.8075 -48.0868 -48.0868 -20.9912 -20.9912 -20.9090 -20.9090 -20.7916 -20.7916 -20.7633 -20.7633 -20.6477 -20.6477 -20.5239 -20.5239 -20.1934 -20.1934 -20.0502 -20.0502 -19.8918 -19.8918 -8.0048 -8.0048 1.6701 1.6701 2.0160 2.0160 2.4960 2.4960 4.4679 4.4679 6.2471 6.2471 8.1694 8.1694 8.8724 8.8724 k = 0.4306 0.4090 0.4814 ( 4944 PWs) bands (ev): -48.8334 -48.8334 -48.8081 -48.8081 -48.0869 -48.0869 -20.9926 -20.9926 -20.9074 -20.9074 -20.7925 -20.7925 -20.7608 -20.7608 -20.6507 -20.6507 -20.5231 -20.5231 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -8.0038 -8.0038 1.6846 1.6846 2.0239 2.0239 2.4673 2.4673 4.4931 4.4931 6.1795 6.1795 8.2271 8.2271 8.8618 8.8618 k = 0.4236 0.4210 0.4814 ( 4944 PWs) bands (ev): -48.8328 -48.8328 -48.8087 -48.8087 -48.0869 -48.0869 -20.9940 -20.9940 -20.9059 -20.9059 -20.7932 -20.7932 -20.7581 -20.7581 -20.6539 -20.6539 -20.5221 -20.5221 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -8.0028 -8.0028 1.7006 1.7006 2.0322 2.0322 2.4368 2.4368 4.5209 4.5209 6.1081 6.1081 8.2889 8.2889 8.8516 8.8516 k = 0.4167 0.4330 0.4814 ( 4942 PWs) bands (ev): -48.8322 -48.8322 -48.8093 -48.8093 -48.0869 -48.0869 -20.9954 -20.9954 -20.9043 -20.9043 -20.7939 -20.7939 -20.7554 -20.7554 -20.6572 -20.6572 -20.5211 -20.5211 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -8.0018 -8.0018 1.7178 1.7178 2.0409 2.0409 2.4049 2.4049 4.5513 4.5513 6.0336 6.0336 8.3540 8.3540 8.8419 8.8419 k = 0.4097 0.4450 0.4814 ( 4934 PWs) bands (ev): -48.8315 -48.8315 -48.8100 -48.8100 -48.0868 -48.0868 -20.9966 -20.9966 -20.9028 -20.9028 -20.7945 -20.7945 -20.7525 -20.7525 -20.6606 -20.6606 -20.5202 -20.5202 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -8.0007 -8.0007 1.7363 1.7363 2.0498 2.0498 2.3718 2.3718 4.5845 4.5845 5.9568 5.9568 8.4219 8.4219 8.8328 8.8328 k = 0.4028 0.4571 0.4814 ( 4934 PWs) bands (ev): -48.8307 -48.8307 -48.8108 -48.8108 -48.0868 -48.0868 -20.9978 -20.9978 -20.9013 -20.9013 -20.7951 -20.7951 -20.7496 -20.7496 -20.6641 -20.6641 -20.5193 -20.5193 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9996 -7.9996 1.7561 1.7561 2.0590 2.0590 2.3378 2.3378 4.6202 4.6202 5.8783 5.8783 8.4917 8.4917 8.8245 8.8245 k = 0.3958 0.4691 0.4814 ( 4934 PWs) bands (ev): -48.8299 -48.8299 -48.8116 -48.8116 -48.0868 -48.0868 -20.9990 -20.9990 -20.9000 -20.9000 -20.7956 -20.7956 -20.7467 -20.7467 -20.6676 -20.6676 -20.5185 -20.5185 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9986 -7.9986 1.7770 1.7770 2.0681 2.0681 2.3032 2.3032 4.6587 4.6587 5.7987 5.7987 8.5624 8.5624 8.8168 8.8168 k = 0.3889 0.4811 0.4814 ( 4942 PWs) bands (ev): -48.8291 -48.8291 -48.8124 -48.8124 -48.0868 -48.0868 -21.0001 -21.0001 -20.8988 -20.8988 -20.7962 -20.7962 -20.7437 -20.7437 -20.6712 -20.6712 -20.5178 -20.5178 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9976 -7.9976 1.7990 1.7990 2.0770 2.0770 2.2683 2.2683 4.6998 4.6998 5.7187 5.7187 8.6330 8.6330 8.8100 8.8100 k = 0.3819 0.4932 0.4814 ( 4946 PWs) bands (ev): -48.8282 -48.8282 -48.8133 -48.8133 -48.0869 -48.0869 -21.0010 -21.0010 -20.8977 -20.8977 -20.7966 -20.7966 -20.7407 -20.7407 -20.6747 -20.6747 -20.5171 -20.5171 -20.1935 -20.1935 -20.0504 -20.0504 -19.8918 -19.8918 -7.9966 -7.9966 1.8221 1.8221 2.0857 2.0857 2.2333 2.2333 4.7435 4.7435 5.6389 5.6389 8.7022 8.7022 8.8039 8.8039 k = 0.3750 0.5052 0.4814 ( 4946 PWs) bands (ev): -48.8272 -48.8272 -48.8143 -48.8143 -48.0869 -48.0869 -21.0019 -21.0019 -20.8967 -20.8967 -20.7969 -20.7969 -20.7378 -20.7378 -20.6782 -20.6782 -20.5165 -20.5165 -20.1935 -20.1935 -20.0504 -20.0504 -19.8918 -19.8918 -7.9957 -7.9957 1.8461 1.8461 2.0938 2.0938 2.1986 2.1986 4.7899 4.7899 5.5596 5.5596 8.7684 8.7684 8.7986 8.7986 k = 0.3681 0.5172 0.4814 ( 4940 PWs) bands (ev): -48.8262 -48.8262 -48.8153 -48.8153 -48.0868 -48.0868 -21.0025 -21.0025 -20.8959 -20.8959 -20.7972 -20.7972 -20.7350 -20.7350 -20.6815 -20.6815 -20.5160 -20.5160 -20.1935 -20.1935 -20.0504 -20.0504 -19.8918 -19.8918 -7.9949 -7.9949 1.8710 1.8710 2.1013 2.1013 2.1643 2.1643 4.8390 4.8390 5.4816 5.4816 8.7938 8.7938 8.8301 8.8301 k = 0.3611 0.5292 0.4814 ( 4932 PWs) bands (ev): -48.8252 -48.8252 -48.8163 -48.8163 -48.0868 -48.0868 -21.0031 -21.0031 -20.8952 -20.8952 -20.7974 -20.7974 -20.7323 -20.7323 -20.6844 -20.6844 -20.5155 -20.5155 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9942 -7.9942 1.8967 1.8967 2.1075 2.1075 2.1309 2.1309 4.8908 4.8908 5.4052 5.4052 8.7901 8.7901 8.8844 8.8844 k = 0.3542 0.5413 0.4814 ( 4928 PWs) bands (ev): -48.8241 -48.8241 -48.8173 -48.8173 -48.0868 -48.0868 -21.0035 -21.0035 -20.8947 -20.8947 -20.7975 -20.7975 -20.7300 -20.7300 -20.6870 -20.6870 -20.5151 -20.5151 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9936 -7.9936 1.9231 1.9231 2.0968 2.0968 2.1144 2.1144 4.9453 4.9453 5.3309 5.3309 8.7871 8.7871 8.9291 8.9291 k = 0.3472 0.5533 0.4814 ( 4928 PWs) bands (ev): -48.8230 -48.8230 -48.8184 -48.8184 -48.0868 -48.0868 -21.0038 -21.0038 -20.8943 -20.8943 -20.7976 -20.7976 -20.7282 -20.7282 -20.6891 -20.6891 -20.5149 -20.5149 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9932 -7.9932 1.9502 1.9502 2.0656 2.0656 2.1181 2.1181 5.0024 5.0024 5.2591 5.2591 8.7849 8.7849 8.9614 8.9614 k = 0.3403 0.5653 0.4814 ( 4932 PWs) bands (ev): -48.8219 -48.8219 -48.8196 -48.8196 -48.0868 -48.0868 -21.0040 -21.0040 -20.8941 -20.8941 -20.7977 -20.7977 -20.7270 -20.7270 -20.6905 -20.6905 -20.5148 -20.5148 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9929 -7.9929 1.9778 1.9778 2.0352 2.0352 2.1207 2.1207 5.0622 5.0622 5.1903 5.1903 8.7836 8.7836 8.9751 8.9751 k = 0.3333 0.5774 0.4814 ( 4920 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0041 -21.0041 -20.8940 -20.8940 -20.7977 -20.7977 -20.7266 -20.7266 -20.6909 -20.6909 -20.5147 -20.5147 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9928 -7.9928 2.0036 2.0036 2.0084 2.0084 2.1216 2.1216 5.1230 5.1230 5.1264 5.1264 8.7831 8.7831 8.9798 8.9799 k = 0.3333 0.5774 0.4814 ( 4920 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0041 -21.0041 -20.8940 -20.8940 -20.7977 -20.7977 -20.7266 -20.7266 -20.6909 -20.6909 -20.5147 -20.5147 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9928 -7.9928 2.0036 2.0036 2.0084 2.0084 2.1216 2.1216 5.1230 5.1230 5.1264 5.1264 8.7831 8.7831 8.9798 8.9799 k = 0.3264 0.5653 0.4814 ( 4926 PWs) bands (ev): -48.8219 -48.8219 -48.8195 -48.8195 -48.0868 -48.0868 -21.0040 -21.0040 -20.8941 -20.8941 -20.7977 -20.7977 -20.7270 -20.7270 -20.6904 -20.6904 -20.5147 -20.5147 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9929 -7.9929 1.9784 1.9784 2.0346 2.0346 2.1206 2.1206 5.0627 5.0627 5.1899 5.1899 8.7836 8.7836 8.9668 8.9668 k = 0.3194 0.5533 0.4814 ( 4922 PWs) bands (ev): -48.8232 -48.8232 -48.8183 -48.8183 -48.0868 -48.0868 -21.0038 -21.0038 -20.8943 -20.8943 -20.7976 -20.7976 -20.7281 -20.7281 -20.6891 -20.6891 -20.5149 -20.5149 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9932 -7.9932 1.9527 1.9527 2.0632 2.0632 2.1175 2.1175 5.0046 5.0046 5.2577 5.2577 8.7850 8.7850 8.9359 8.9359 k = 0.3125 0.5413 0.4814 ( 4918 PWs) bands (ev): -48.8244 -48.8244 -48.8171 -48.8171 -48.0868 -48.0868 -21.0035 -21.0035 -20.8946 -20.8946 -20.7976 -20.7976 -20.7298 -20.7298 -20.6871 -20.6871 -20.5151 -20.5151 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9937 -7.9937 1.9288 1.9288 2.0918 2.0918 2.1124 2.1124 4.9507 4.9507 5.3283 5.3283 8.7875 8.7875 8.8906 8.8906 k = 0.3056 0.5292 0.4814 ( 4918 PWs) bands (ev): -48.8257 -48.8257 -48.8158 -48.8158 -48.0868 -48.0868 -21.0031 -21.0031 -20.8951 -20.8951 -20.7976 -20.7976 -20.7318 -20.7318 -20.6846 -20.6846 -20.5154 -20.5154 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9945 -7.9945 1.9069 1.9069 2.1031 2.1031 2.1222 2.1222 4.9012 4.9012 5.4016 5.4016 8.7910 8.7910 8.8329 8.8329 k = 0.2986 0.5172 0.4814 ( 4926 PWs) bands (ev): -48.8270 -48.8270 -48.8145 -48.8145 -48.0868 -48.0868 -21.0026 -21.0026 -20.8957 -20.8957 -20.7977 -20.7977 -20.7341 -20.7341 -20.6818 -20.6818 -20.5158 -20.5158 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9956 -7.9956 1.8871 1.8871 2.0929 2.0929 2.1509 2.1509 4.8563 4.8563 5.4775 5.4775 8.7649 8.7649 8.7960 8.7960 k = 0.2917 0.5052 0.4814 ( 4938 PWs) bands (ev): -48.8283 -48.8283 -48.8132 -48.8132 -48.0868 -48.0868 -21.0020 -21.0020 -20.8964 -20.8964 -20.7978 -20.7978 -20.7364 -20.7364 -20.6787 -20.6787 -20.5164 -20.5164 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9969 -7.9969 1.8695 1.8695 2.0796 2.0796 2.1798 2.1798 4.8160 4.8160 5.5562 5.5562 8.6894 8.6894 8.8018 8.8018 k = 0.2847 0.4932 0.4814 ( 4934 PWs) bands (ev): -48.8296 -48.8296 -48.8119 -48.8119 -48.0868 -48.0868 -21.0013 -21.0013 -20.8971 -20.8971 -20.7979 -20.7979 -20.7387 -20.7387 -20.6755 -20.6755 -20.5170 -20.5170 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9984 -7.9984 1.8542 1.8542 2.0635 2.0635 2.2087 2.2087 4.7804 4.7804 5.6375 5.6375 8.6076 8.6076 8.8091 8.8091 k = 0.2778 0.4811 0.4814 ( 4926 PWs) bands (ev): -48.8309 -48.8309 -48.8106 -48.8106 -48.0868 -48.0868 -21.0005 -21.0005 -20.8979 -20.8979 -20.7982 -20.7982 -20.7408 -20.7408 -20.6721 -20.6721 -20.5176 -20.5176 -20.1934 -20.1934 -20.0502 -20.0502 -19.8918 -19.8918 -8.0003 -8.0003 1.8413 1.8413 2.0445 2.0445 2.2373 2.2373 4.7495 4.7495 5.7216 5.7216 8.5211 8.5211 8.8178 8.8178 k = 0.2708 0.4691 0.4814 ( 4930 PWs) bands (ev): -48.8323 -48.8323 -48.8092 -48.8092 -48.0868 -48.0868 -20.9996 -20.9996 -20.8988 -20.8988 -20.7987 -20.7987 -20.7428 -20.7428 -20.6687 -20.6687 -20.5183 -20.5183 -20.1934 -20.1934 -20.0502 -20.0502 -19.8918 -19.8918 -8.0024 -8.0024 1.8309 1.8309 2.0229 2.0229 2.2655 2.2655 4.7234 4.7234 5.8084 5.8084 8.4309 8.4309 8.8280 8.8280 k = 0.2639 0.4571 0.4814 ( 4926 PWs) bands (ev): -48.8336 -48.8336 -48.8078 -48.8078 -48.0868 -48.0868 -20.9987 -20.9987 -20.8997 -20.8997 -20.7993 -20.7993 -20.7445 -20.7445 -20.6653 -20.6653 -20.5190 -20.5190 -20.1934 -20.1934 -20.0502 -20.0502 -19.8918 -19.8918 -8.0049 -8.0049 1.8229 1.8229 1.9985 1.9985 2.2934 2.2934 4.7017 4.7017 5.8979 5.8979 8.3378 8.3378 8.8399 8.8399 k = 0.2569 0.4450 0.4814 ( 4926 PWs) bands (ev): -48.8350 -48.8350 -48.8065 -48.8065 -48.0868 -48.0868 -20.9978 -20.9978 -20.9007 -20.9007 -20.8000 -20.8000 -20.7460 -20.7460 -20.6619 -20.6619 -20.5199 -20.5199 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0076 -8.0076 1.8175 1.8175 1.9717 1.9717 2.3207 2.3207 4.6845 4.6845 5.9901 5.9901 8.2427 8.2427 8.8535 8.8535 k = 0.2500 0.4330 0.4814 ( 4926 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9968 -20.9968 -20.9016 -20.9016 -20.8010 -20.8010 -20.7472 -20.7472 -20.6585 -20.6585 -20.5207 -20.5207 -20.1933 -20.1933 -20.0501 -20.0501 -19.8919 -19.8919 -8.0106 -8.0106 1.8147 1.8147 1.9424 1.9424 2.3475 2.3475 4.6714 4.6714 6.0850 6.0850 8.1460 8.1460 8.8690 8.8690 k = 0.2431 0.4210 0.4814 ( 4926 PWs) bands (ev): -48.8377 -48.8377 -48.8038 -48.8038 -48.0868 -48.0868 -20.9959 -20.9959 -20.9026 -20.9026 -20.8022 -20.8022 -20.7481 -20.7481 -20.6552 -20.6552 -20.5216 -20.5216 -20.1933 -20.1933 -20.0500 -20.0500 -19.8919 -19.8919 -8.0139 -8.0139 1.8145 1.8145 1.9110 1.9110 2.3736 2.3736 4.6623 4.6623 6.1827 6.1827 8.0481 8.0481 8.8864 8.8864 k = 0.2361 0.4090 0.4814 ( 4922 PWs) bands (ev): -48.8391 -48.8391 -48.8024 -48.8024 -48.0868 -48.0868 -20.9949 -20.9949 -20.9035 -20.9035 -20.8035 -20.8035 -20.7487 -20.7487 -20.6519 -20.6519 -20.5225 -20.5225 -20.1932 -20.1932 -20.0500 -20.0500 -19.8919 -19.8919 -8.0174 -8.0174 1.8170 1.8170 1.8777 1.8777 2.3990 2.3990 4.6568 4.6568 6.2831 6.2831 7.9493 7.9493 8.9060 8.9060 k = 0.2292 0.3969 0.4814 ( 4914 PWs) bands (ev): -48.8404 -48.8404 -48.8010 -48.8010 -48.0868 -48.0868 -20.9939 -20.9939 -20.9043 -20.9043 -20.8050 -20.8050 -20.7491 -20.7491 -20.6487 -20.6487 -20.5234 -20.5234 -20.1931 -20.1931 -20.0499 -20.0499 -19.8920 -19.8920 -8.0213 -8.0213 1.8218 1.8218 1.8430 1.8430 2.4236 2.4236 4.6547 4.6547 6.3862 6.3862 7.8500 7.8500 8.9277 8.9277 k = 0.2222 0.3849 0.4814 ( 4918 PWs) bands (ev): -48.8418 -48.8418 -48.7997 -48.7997 -48.0868 -48.0868 -20.9930 -20.9930 -20.9051 -20.9051 -20.8066 -20.8066 -20.7492 -20.7492 -20.6456 -20.6456 -20.5244 -20.5244 -20.1931 -20.1931 -20.0498 -20.0498 -19.8920 -19.8920 -8.0254 -8.0254 1.8055 1.8055 1.8305 1.8305 2.4474 2.4474 4.6556 4.6556 6.4920 6.4920 7.7503 7.7503 8.9518 8.9518 k = 0.2153 0.3729 0.4814 ( 4920 PWs) bands (ev): -48.8431 -48.8431 -48.7983 -48.7983 -48.0868 -48.0868 -20.9922 -20.9922 -20.9059 -20.9059 -20.8084 -20.8084 -20.7491 -20.7491 -20.6426 -20.6426 -20.5253 -20.5253 -20.1931 -20.1931 -20.0498 -20.0498 -19.8921 -19.8921 -8.0297 -8.0297 1.7680 1.7680 1.8407 1.8407 2.4703 2.4703 4.6592 4.6592 6.6006 6.6006 7.6504 7.6504 8.9782 8.9782 k = 0.2083 0.3608 0.4814 ( 4920 PWs) bands (ev): -48.8444 -48.8444 -48.7970 -48.7970 -48.0869 -48.0869 -20.9913 -20.9913 -20.9065 -20.9065 -20.8102 -20.8102 -20.7489 -20.7489 -20.6397 -20.6397 -20.5262 -20.5262 -20.1930 -20.1930 -20.0497 -20.0497 -19.8921 -19.8921 -8.0343 -8.0343 1.7293 1.7293 1.8537 1.8537 2.4923 2.4923 4.6652 4.6652 6.7119 6.7119 7.5505 7.5505 9.0073 9.0073 k = 0.2014 0.3488 0.4814 ( 4920 PWs) bands (ev): -48.8457 -48.8457 -48.7957 -48.7957 -48.0869 -48.0869 -20.9906 -20.9906 -20.9070 -20.9070 -20.8122 -20.8122 -20.7484 -20.7484 -20.6370 -20.6370 -20.5271 -20.5271 -20.1930 -20.1930 -20.0496 -20.0496 -19.8922 -19.8922 -8.0391 -8.0391 1.6899 1.6899 1.8693 1.8693 2.5134 2.5134 4.6733 4.6733 6.8259 6.8259 7.4507 7.4507 9.0389 9.0389 k = 0.1944 0.3368 0.4814 ( 4922 PWs) bands (ev): -48.8470 -48.8470 -48.7944 -48.7944 -48.0869 -48.0869 -20.9899 -20.9899 -20.9074 -20.9074 -20.8142 -20.8142 -20.7478 -20.7478 -20.6344 -20.6344 -20.5280 -20.5280 -20.1929 -20.1929 -20.0496 -20.0496 -19.8923 -19.8923 -8.0441 -8.0441 1.6501 1.6501 1.8875 1.8875 2.5335 2.5335 4.6831 4.6831 6.9427 6.9427 7.3511 7.3511 9.0733 9.0733 k = 0.1875 0.3248 0.4814 ( 4926 PWs) bands (ev): -48.8483 -48.8483 -48.7931 -48.7931 -48.0869 -48.0869 -20.9894 -20.9894 -20.9077 -20.9077 -20.8162 -20.8162 -20.7471 -20.7471 -20.6319 -20.6319 -20.5288 -20.5288 -20.1929 -20.1929 -20.0495 -20.0495 -19.8924 -19.8924 -8.0492 -8.0492 1.6099 1.6099 1.9082 1.9082 2.5526 2.5526 4.6944 4.6944 7.0622 7.0622 7.2518 7.2518 9.1106 9.1106 k = 0.1806 0.3127 0.4814 ( 4926 PWs) bands (ev): -48.8496 -48.8496 -48.7919 -48.7919 -48.0869 -48.0869 -20.9889 -20.9889 -20.9079 -20.9079 -20.8182 -20.8182 -20.7463 -20.7463 -20.6297 -20.6297 -20.5295 -20.5295 -20.1928 -20.1928 -20.0494 -20.0494 -19.8924 -19.8924 -8.0545 -8.0545 1.5698 1.5698 1.9314 1.9314 2.5707 2.5707 4.7069 4.7069 7.1529 7.1529 7.1844 7.1844 9.1507 9.1507 k = 0.1736 0.3007 0.4814 ( 4922 PWs) bands (ev): -48.8508 -48.8508 -48.7906 -48.7906 -48.0869 -48.0869 -20.9886 -20.9886 -20.9079 -20.9079 -20.8202 -20.8202 -20.7454 -20.7454 -20.6275 -20.6275 -20.5302 -20.5302 -20.1928 -20.1928 -20.0493 -20.0493 -19.8925 -19.8925 -8.0600 -8.0600 1.5298 1.5298 1.9569 1.9569 2.5878 2.5878 4.7203 4.7203 7.0546 7.0546 7.3093 7.3093 9.1939 9.1939 k = 0.1667 0.2887 0.4814 ( 4926 PWs) bands (ev): -48.8520 -48.8520 -48.7895 -48.7895 -48.0869 -48.0869 -20.9884 -20.9884 -20.9077 -20.9077 -20.8222 -20.8222 -20.7445 -20.7445 -20.6256 -20.6256 -20.5307 -20.5307 -20.1927 -20.1927 -20.0493 -20.0493 -19.8926 -19.8926 -8.0655 -8.0655 1.4903 1.4903 1.9847 1.9847 2.6039 2.6039 4.7344 4.7344 6.9569 6.9569 7.4369 7.4369 9.2401 9.2401 k = 0.1597 0.2766 0.4814 ( 4918 PWs) bands (ev): -48.8531 -48.8531 -48.7883 -48.7883 -48.0869 -48.0869 -20.9882 -20.9882 -20.9074 -20.9074 -20.8241 -20.8241 -20.7435 -20.7435 -20.6239 -20.6239 -20.5312 -20.5312 -20.1926 -20.1926 -20.0492 -20.0492 -19.8927 -19.8927 -8.0712 -8.0712 1.4513 1.4513 2.0147 2.0147 2.6190 2.6190 4.7490 4.7490 6.8600 6.8600 7.5673 7.5673 9.2893 9.2893 k = 0.1528 0.2646 0.4814 ( 4922 PWs) bands (ev): -48.8543 -48.8543 -48.7871 -48.7871 -48.0869 -48.0869 -20.9881 -20.9881 -20.9071 -20.9071 -20.8260 -20.8260 -20.7425 -20.7425 -20.6223 -20.6223 -20.5316 -20.5316 -20.1926 -20.1926 -20.0491 -20.0491 -19.8928 -19.8928 -8.0768 -8.0768 1.4130 1.4130 2.0467 2.0467 2.6332 2.6332 4.7638 4.7638 6.7640 6.7640 7.7004 7.7004 9.3417 9.3417 k = 0.1458 0.2526 0.4814 ( 4918 PWs) bands (ev): -48.8554 -48.8554 -48.7860 -48.7860 -48.0869 -48.0869 -20.9882 -20.9882 -20.9066 -20.9066 -20.8278 -20.8278 -20.7415 -20.7415 -20.6209 -20.6209 -20.5318 -20.5318 -20.1925 -20.1925 -20.0490 -20.0490 -19.8929 -19.8929 -8.0825 -8.0825 1.3755 1.3755 2.0806 2.0806 2.6463 2.6463 4.7787 4.7787 6.6690 6.6690 7.8361 7.8361 9.3972 9.3972 k = 0.1389 0.2406 0.4814 ( 4918 PWs) bands (ev): -48.8564 -48.8564 -48.7850 -48.7850 -48.0869 -48.0869 -20.9884 -20.9884 -20.9060 -20.9060 -20.8296 -20.8296 -20.7404 -20.7404 -20.6196 -20.6196 -20.5320 -20.5320 -20.1925 -20.1925 -20.0489 -20.0489 -19.8931 -19.8931 -8.0882 -8.0882 1.3391 1.3391 2.1163 2.1163 2.6585 2.6585 4.7935 4.7935 6.5751 6.5751 7.9745 7.9745 9.4559 9.4559 k = 0.1319 0.2285 0.4814 ( 4926 PWs) bands (ev): -48.8575 -48.8575 -48.7839 -48.7839 -48.0869 -48.0869 -20.9886 -20.9886 -20.9053 -20.9053 -20.8314 -20.8314 -20.7394 -20.7394 -20.6187 -20.6187 -20.5320 -20.5320 -20.1924 -20.1924 -20.0488 -20.0488 -19.8932 -19.8932 -8.0939 -8.0939 1.3038 1.3038 2.1536 2.1536 2.6698 2.6698 4.8081 4.8081 6.4826 6.4826 8.1156 8.1156 9.5176 9.5176 k = 0.1250 0.2165 0.4814 ( 4930 PWs) bands (ev): -48.8585 -48.8585 -48.7830 -48.7830 -48.0869 -48.0869 -20.9889 -20.9889 -20.9046 -20.9046 -20.8331 -20.8331 -20.7385 -20.7385 -20.6178 -20.6178 -20.5320 -20.5320 -20.1924 -20.1924 -20.0488 -20.0488 -19.8933 -19.8933 -8.0995 -8.0995 1.2698 1.2698 2.1923 2.1923 2.6803 2.6803 4.8223 4.8223 6.3916 6.3916 8.2594 8.2594 9.5825 9.5825 k = 0.1181 0.2045 0.4814 ( 4926 PWs) bands (ev): -48.8594 -48.8594 -48.7820 -48.7820 -48.0869 -48.0869 -20.9893 -20.9893 -20.9037 -20.9037 -20.8347 -20.8347 -20.7375 -20.7375 -20.6171 -20.6171 -20.5318 -20.5318 -20.1923 -20.1923 -20.0487 -20.0487 -19.8934 -19.8934 -8.1050 -8.1050 1.2371 1.2371 2.2322 2.2322 2.6898 2.6898 4.8361 4.8361 6.3023 6.3023 8.4057 8.4057 9.6503 9.6503 k = 0.1111 0.1925 0.4814 ( 4926 PWs) bands (ev): -48.8603 -48.8603 -48.7811 -48.7811 -48.0869 -48.0869 -20.9897 -20.9897 -20.9028 -20.9028 -20.8362 -20.8362 -20.7365 -20.7365 -20.6166 -20.6166 -20.5315 -20.5315 -20.1923 -20.1923 -20.0486 -20.0486 -19.8936 -19.8936 -8.1103 -8.1103 1.2059 1.2059 2.2731 2.2731 2.6986 2.6986 4.8493 4.8493 6.2149 6.2149 8.5547 8.5547 9.7211 9.7211 k = 0.1042 0.1804 0.4814 ( 4924 PWs) bands (ev): -48.8611 -48.8611 -48.7803 -48.7803 -48.0869 -48.0869 -20.9901 -20.9901 -20.9019 -20.9019 -20.8376 -20.8376 -20.7356 -20.7356 -20.6161 -20.6161 -20.5311 -20.5311 -20.1922 -20.1922 -20.0485 -20.0485 -19.8937 -19.8937 -8.1155 -8.1155 1.1761 1.1761 2.3147 2.3147 2.7066 2.7066 4.8620 4.8620 6.1296 6.1296 8.7061 8.7061 9.7947 9.7947 k = 0.0972 0.1684 0.4814 ( 4920 PWs) bands (ev): -48.8619 -48.8619 -48.7795 -48.7795 -48.0869 -48.0869 -20.9905 -20.9905 -20.9010 -20.9010 -20.8390 -20.8390 -20.7348 -20.7348 -20.6158 -20.6158 -20.5307 -20.5307 -20.1922 -20.1922 -20.0484 -20.0484 -19.8938 -19.8938 -8.1205 -8.1205 1.1480 1.1480 2.3567 2.3567 2.7138 2.7138 4.8739 4.8739 6.0468 6.0468 8.8600 8.8600 9.8710 9.8710 k = 0.0903 0.1564 0.4814 ( 4916 PWs) bands (ev): -48.8627 -48.8627 -48.7787 -48.7787 -48.0869 -48.0869 -20.9910 -20.9910 -20.9000 -20.9000 -20.8403 -20.8403 -20.7339 -20.7339 -20.6156 -20.6156 -20.5302 -20.5302 -20.1921 -20.1921 -20.0483 -20.0483 -19.8939 -19.8939 -8.1253 -8.1253 1.1216 1.1216 2.3988 2.3988 2.7204 2.7204 4.8851 4.8851 5.9668 5.9668 9.0164 9.0164 9.9499 9.9499 k = 0.0833 0.1443 0.4814 ( 4910 PWs) bands (ev): -48.8634 -48.8634 -48.7780 -48.7780 -48.0869 -48.0869 -20.9914 -20.9914 -20.8991 -20.8991 -20.8414 -20.8414 -20.7331 -20.7331 -20.6156 -20.6156 -20.5296 -20.5296 -20.1920 -20.1920 -20.0482 -20.0482 -19.8940 -19.8940 -8.1299 -8.1299 1.0969 1.0969 2.4407 2.4407 2.7262 2.7262 4.8956 4.8956 5.8899 5.8899 9.1750 9.1750 10.0311 10.0311 k = 0.0764 0.1323 0.4814 ( 4910 PWs) bands (ev): -48.8640 -48.8640 -48.7773 -48.7773 -48.0869 -48.0869 -20.9919 -20.9919 -20.8983 -20.8983 -20.8425 -20.8425 -20.7323 -20.7323 -20.6156 -20.6156 -20.5291 -20.5291 -20.1920 -20.1920 -20.0481 -20.0481 -19.8941 -19.8941 -8.1342 -8.1342 1.0739 1.0739 2.4819 2.4819 2.7315 2.7315 4.9053 4.9053 5.8164 5.8164 9.3358 9.3358 10.1145 10.1145 k = 0.0694 0.1203 0.4814 ( 4922 PWs) bands (ev): -48.8647 -48.8647 -48.7767 -48.7767 -48.0869 -48.0869 -20.9924 -20.9924 -20.8975 -20.8975 -20.8436 -20.8436 -20.7317 -20.7317 -20.6157 -20.6157 -20.5286 -20.5286 -20.1920 -20.1920 -20.0481 -20.0481 -19.8942 -19.8942 -8.1382 -8.1382 1.0528 1.0528 2.5220 2.5220 2.7362 2.7362 4.9141 4.9141 5.7469 5.7469 9.4985 9.4985 10.1997 10.1997 k = 0.0625 0.1083 0.4814 ( 4926 PWs) bands (ev): -48.8652 -48.8652 -48.7762 -48.7762 -48.0869 -48.0869 -20.9928 -20.9928 -20.8967 -20.8967 -20.8446 -20.8446 -20.7311 -20.7311 -20.6158 -20.6158 -20.5281 -20.5281 -20.1920 -20.1920 -20.0481 -20.0481 -19.8944 -19.8944 -8.1420 -8.1420 1.0336 1.0336 2.5606 2.5606 2.7403 2.7403 4.9221 4.9221 5.6817 5.6817 9.6630 9.6630 10.2863 10.2863 k = 0.0556 0.0962 0.4814 ( 4914 PWs) bands (ev): -48.8657 -48.8657 -48.7757 -48.7757 -48.0869 -48.0869 -20.9931 -20.9931 -20.8959 -20.8959 -20.8453 -20.8453 -20.7304 -20.7304 -20.6159 -20.6159 -20.5275 -20.5275 -20.1919 -20.1919 -20.0480 -20.0480 -19.8944 -19.8944 -8.1453 -8.1453 1.0164 1.0164 2.5971 2.5971 2.7439 2.7439 4.9293 4.9293 5.6213 5.6213 9.8288 9.8288 10.3739 10.3739 k = 0.0486 0.0842 0.4814 ( 4914 PWs) bands (ev): -48.8661 -48.8661 -48.7752 -48.7752 -48.0869 -48.0869 -20.9935 -20.9935 -20.8952 -20.8952 -20.8461 -20.8461 -20.7299 -20.7299 -20.6161 -20.6161 -20.5270 -20.5270 -20.1919 -20.1919 -20.0479 -20.0479 -19.8945 -19.8945 -8.1484 -8.1484 1.0011 1.0011 2.6311 2.6311 2.7470 2.7470 4.9356 4.9356 5.5663 5.5663 9.9953 9.9953 10.4618 10.4618 k = 0.0417 0.0722 0.4814 ( 4910 PWs) bands (ev): -48.8665 -48.8665 -48.7748 -48.7748 -48.0869 -48.0869 -20.9937 -20.9937 -20.8946 -20.8946 -20.8467 -20.8467 -20.7294 -20.7294 -20.6163 -20.6163 -20.5266 -20.5266 -20.1919 -20.1919 -20.0479 -20.0479 -19.8945 -19.8945 -8.1510 -8.1510 0.9877 0.9877 2.6620 2.6620 2.7497 2.7497 4.9411 4.9411 5.5172 5.5172 10.1616 10.1616 10.5491 10.5491 k = 0.0347 0.0601 0.4814 ( 4910 PWs) bands (ev): -48.8669 -48.8669 -48.7745 -48.7745 -48.0869 -48.0869 -20.9940 -20.9940 -20.8941 -20.8941 -20.8472 -20.8472 -20.7290 -20.7290 -20.6165 -20.6165 -20.5262 -20.5262 -20.1918 -20.1918 -20.0478 -20.0478 -19.8946 -19.8946 -8.1533 -8.1533 0.9764 0.9764 2.6892 2.6892 2.7520 2.7520 4.9457 4.9457 5.4745 5.4745 10.3263 10.3263 10.6344 10.6344 k = 0.0278 0.0481 0.4814 ( 4914 PWs) bands (ev): -48.8671 -48.8671 -48.7742 -48.7742 -48.0869 -48.0869 -20.9942 -20.9942 -20.8937 -20.8937 -20.8476 -20.8476 -20.7287 -20.7287 -20.6167 -20.6167 -20.5259 -20.5259 -20.1918 -20.1918 -20.0478 -20.0478 -19.8947 -19.8947 -8.1552 -8.1552 0.9671 0.9671 2.7122 2.7122 2.7540 2.7540 4.9495 4.9495 5.4387 5.4387 10.4869 10.4869 10.7157 10.7157 k = 0.0208 0.0361 0.4814 ( 4906 PWs) bands (ev): -48.8673 -48.8673 -48.7740 -48.7740 -48.0869 -48.0869 -20.9944 -20.9944 -20.8934 -20.8934 -20.8479 -20.8479 -20.7285 -20.7285 -20.6168 -20.6168 -20.5256 -20.5256 -20.1918 -20.1918 -20.0478 -20.0478 -19.8947 -19.8947 -8.1567 -8.1567 0.9599 0.9599 2.7304 2.7304 2.7558 2.7558 4.9525 4.9525 5.4103 5.4103 10.6385 10.6385 10.7898 10.7898 k = 0.0139 0.0241 0.4814 ( 4912 PWs) bands (ev): -48.8675 -48.8675 -48.7739 -48.7739 -48.0869 -48.0869 -20.9945 -20.9945 -20.8932 -20.8932 -20.8482 -20.8482 -20.7283 -20.7283 -20.6169 -20.6169 -20.5255 -20.5255 -20.1918 -20.1918 -20.0478 -20.0478 -19.8947 -19.8947 -8.1577 -8.1577 0.9547 0.9547 2.7428 2.7428 2.7579 2.7579 4.9546 4.9546 5.3897 5.3897 10.7723 10.7723 10.8515 10.8515 k = 0.0069 0.0120 0.4814 ( 4908 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8930 -20.8930 -20.8483 -20.8483 -20.7282 -20.7282 -20.6169 -20.6169 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8947 -19.8947 -8.1583 -8.1583 0.9516 0.9516 2.7492 2.7492 2.7605 2.7605 4.9558 4.9558 5.3772 5.3772 10.8710 10.8710 10.8937 10.8937 k = 0.0000 0.0000 0.4814 ( 4918 PWs) bands (ev): -48.8676 -48.8676 -48.7738 -48.7738 -48.0869 -48.0869 -20.9946 -20.9946 -20.8929 -20.8929 -20.8484 -20.8484 -20.7283 -20.7283 -20.6170 -20.6170 -20.5253 -20.5253 -20.1918 -20.1918 -20.0477 -20.0477 -19.8948 -19.8948 -8.1586 -8.1586 0.9505 0.9505 2.7508 2.7508 2.7618 2.7618 4.9562 4.9562 5.3730 5.3730 10.9090 10.9090 10.9090 10.9090 k = 0.5000 0.2887 0.4814 ( 4928 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9181 -20.9181 -20.7819 -20.7819 -20.7805 -20.7805 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0501 -20.0501 -19.8918 -19.8918 -8.0094 -8.0094 1.6065 1.6065 1.9796 1.9796 2.6318 2.6318 4.3608 4.3608 6.5734 6.5734 7.9031 7.9031 8.9411 8.9811 k = 0.5000 0.2887 0.4676 ( 4924 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9181 -20.9181 -20.7819 -20.7819 -20.7804 -20.7804 -20.6336 -20.6336 -20.5290 -20.5290 -20.1933 -20.1933 -20.0501 -20.0501 -19.8917 -19.8917 -8.0096 -8.0096 1.6052 1.6052 1.9810 1.9810 2.6316 2.6316 4.3634 4.3634 6.5660 6.5660 7.9121 7.9121 8.9426 8.9810 k = 0.5000 0.2887 0.4539 ( 4928 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0868 -48.0868 -20.9831 -20.9831 -20.9180 -20.9180 -20.7819 -20.7819 -20.7804 -20.7804 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0501 -20.0501 -19.8917 -19.8917 -8.0104 -8.0104 1.6014 1.6014 1.9851 1.9851 2.6311 2.6311 4.3712 4.3712 6.5446 6.5446 7.9388 7.9388 8.9468 8.9810 k = 0.5000 0.2887 0.4401 ( 4924 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9180 -20.9180 -20.7818 -20.7818 -20.7804 -20.7804 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0501 -20.0501 -19.8916 -19.8916 -8.0116 -8.0116 1.5951 1.5951 1.9918 1.9918 2.6303 2.6303 4.3841 4.3841 6.5106 6.5106 7.9814 7.9814 8.9538 8.9538 k = 0.5000 0.2887 0.4264 ( 4904 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9179 -20.9179 -20.7818 -20.7818 -20.7803 -20.7803 -20.6335 -20.6335 -20.5290 -20.5290 -20.1932 -20.1932 -20.0500 -20.0500 -19.8914 -19.8914 -8.0133 -8.0133 1.5864 1.5864 2.0012 2.0012 2.6292 2.6292 4.4020 4.4020 6.4663 6.4663 8.0379 8.0379 8.9635 8.9806 k = 0.5000 0.2887 0.4126 ( 4908 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9179 -20.9179 -20.7818 -20.7818 -20.7802 -20.7802 -20.6335 -20.6335 -20.5290 -20.5290 -20.1932 -20.1932 -20.0501 -20.0501 -19.8913 -19.8913 -8.0154 -8.0154 1.5754 1.5754 2.0132 2.0132 2.6278 2.6278 4.4247 4.4247 6.4136 6.4136 8.1061 8.1061 8.9760 8.9760 k = 0.5000 0.2887 0.3988 ( 4912 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9830 -20.9830 -20.9178 -20.9178 -20.7818 -20.7818 -20.7801 -20.7801 -20.6335 -20.6335 -20.5290 -20.5290 -20.1932 -20.1932 -20.0501 -20.0501 -19.8912 -19.8912 -8.0180 -8.0180 1.5624 1.5624 2.0278 2.0278 2.6261 2.6261 4.4520 4.4520 6.3548 6.3548 8.1839 8.1839 8.9800 8.9800 k = 0.5000 0.2887 0.3851 ( 4908 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9831 -20.9831 -20.9177 -20.9177 -20.7818 -20.7818 -20.7800 -20.7800 -20.6335 -20.6335 -20.5290 -20.5290 -20.1932 -20.1932 -20.0501 -20.0501 -19.8910 -19.8910 -8.0210 -8.0210 1.5475 1.5475 2.0449 2.0449 2.6241 2.6241 4.4835 4.4835 6.2914 6.2914 8.2696 8.2696 8.9796 8.9796 k = 0.5000 0.2887 0.3713 ( 4912 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9831 -20.9831 -20.9177 -20.9177 -20.7818 -20.7818 -20.7799 -20.7799 -20.6335 -20.6335 -20.5290 -20.5290 -20.1932 -20.1932 -20.0501 -20.0501 -19.8908 -19.8908 -8.0244 -8.0244 1.5309 1.5309 2.0643 2.0643 2.6218 2.6218 4.5191 4.5191 6.2248 6.2248 8.3619 8.3619 8.9791 8.9791 k = 0.5000 0.2887 0.3576 ( 4916 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9831 -20.9831 -20.9176 -20.9176 -20.7817 -20.7817 -20.7798 -20.7798 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0502 -20.0502 -19.8905 -19.8905 -8.0281 -8.0281 1.5129 1.5129 2.0862 2.0862 2.6193 2.6193 4.5584 4.5584 6.1560 6.1560 8.4596 8.4596 8.9786 8.9786 k = 0.5000 0.2887 0.3438 ( 4912 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9831 -20.9831 -20.9175 -20.9175 -20.7817 -20.7817 -20.7797 -20.7797 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0502 -20.0502 -19.8902 -19.8902 -8.0322 -8.0322 1.4937 1.4937 2.1102 2.1102 2.6166 2.6166 4.6011 4.6011 6.0860 6.0860 8.5620 8.5620 8.9780 8.9780 k = 0.5000 0.2887 0.3301 ( 4916 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9832 -20.9832 -20.9175 -20.9175 -20.7817 -20.7817 -20.7796 -20.7796 -20.6336 -20.6336 -20.5290 -20.5290 -20.1933 -20.1933 -20.0502 -20.0502 -19.8899 -19.8899 -8.0366 -8.0366 1.4735 1.4735 2.1364 2.1364 2.6137 2.6137 4.6468 4.6468 6.0152 6.0152 8.6682 8.6682 8.9774 8.9774 k = 0.5000 0.2887 0.3163 ( 4922 PWs) bands (ev): -48.8363 -48.8363 -48.8051 -48.8051 -48.0868 -48.0868 -20.9832 -20.9832 -20.9174 -20.9174 -20.7816 -20.7816 -20.7795 -20.7795 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0503 -20.0503 -19.8897 -19.8897 -8.0412 -8.0412 1.4525 1.4525 2.1645 2.1645 2.6106 2.6106 4.6952 4.6952 5.9443 5.9443 8.7777 8.7777 8.9767 8.9767 k = 0.5000 0.2887 0.3026 ( 4926 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9833 -20.9833 -20.9173 -20.9173 -20.7817 -20.7817 -20.7794 -20.7794 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0503 -20.0503 -19.8894 -19.8894 -8.0461 -8.0461 1.4310 1.4310 2.1945 2.1945 2.6074 2.6074 4.7458 4.7458 5.8736 5.8736 8.8900 8.8900 8.9759 8.9759 k = 0.5000 0.2887 0.2888 ( 4936 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9833 -20.9833 -20.9172 -20.9172 -20.7817 -20.7817 -20.7792 -20.7792 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0503 -20.0503 -19.8891 -19.8891 -8.0511 -8.0511 1.4092 1.4092 2.2261 2.2261 2.6041 2.6041 4.7984 4.7984 5.8035 5.8035 8.9750 8.9750 9.0047 9.0047 k = 0.5000 0.2887 0.2751 ( 4936 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9834 -20.9834 -20.9171 -20.9171 -20.7817 -20.7817 -20.7791 -20.7791 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0504 -20.0504 -19.8888 -19.8888 -8.0563 -8.0563 1.3873 1.3873 2.2593 2.2593 2.6007 2.6007 4.8525 4.8525 5.7342 5.7342 8.9741 8.9741 9.1214 9.1214 k = 0.5000 0.2887 0.2613 ( 4922 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9834 -20.9834 -20.9170 -20.9170 -20.7815 -20.7815 -20.7789 -20.7789 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0504 -20.0504 -19.8883 -19.8883 -8.0615 -8.0615 1.3654 1.3654 2.2938 2.2938 2.5972 2.5972 4.9078 4.9078 5.6660 5.6660 8.9731 8.9731 9.2395 9.2395 k = 0.5000 0.2887 0.2476 ( 4928 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9834 -20.9834 -20.9170 -20.9170 -20.7815 -20.7815 -20.7788 -20.7788 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0504 -20.0504 -19.8880 -19.8880 -8.0669 -8.0669 1.3438 1.3438 2.3295 2.3295 2.5937 2.5937 4.9639 4.9639 5.5990 5.5990 8.9721 8.9721 9.2994 9.2994 k = 0.5000 0.2887 0.2338 ( 4930 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9834 -20.9834 -20.9169 -20.9169 -20.7814 -20.7814 -20.7787 -20.7787 -20.6336 -20.6336 -20.5291 -20.5291 -20.1933 -20.1933 -20.0505 -20.0505 -19.8876 -19.8876 -8.0722 -8.0722 1.3225 1.3225 2.3661 2.3661 2.5902 2.5902 5.0203 5.0203 5.5335 5.5335 8.9710 8.9710 9.3359 9.3359 k = 0.5000 0.2887 0.2201 ( 4934 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9835 -20.9835 -20.9168 -20.9168 -20.7814 -20.7814 -20.7786 -20.7786 -20.6337 -20.6337 -20.5291 -20.5291 -20.1934 -20.1934 -20.0505 -20.0505 -19.8873 -19.8873 -8.0775 -8.0775 1.3017 1.3017 2.4033 2.4033 2.5868 2.5868 5.0767 5.0767 5.4697 5.4697 8.9698 8.9698 9.3729 9.3729 k = 0.5000 0.2887 0.2063 ( 4942 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9835 -20.9835 -20.9167 -20.9167 -20.7814 -20.7814 -20.7785 -20.7785 -20.6337 -20.6337 -20.5291 -20.5291 -20.1934 -20.1934 -20.0506 -20.0506 -19.8870 -19.8870 -8.0827 -8.0827 1.2816 1.2816 2.4410 2.4410 2.5834 2.5834 5.1326 5.1326 5.4077 5.4077 8.9686 8.9686 9.4101 9.4101 k = 0.5000 0.2887 0.1925 ( 4940 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9836 -20.9836 -20.9166 -20.9166 -20.7813 -20.7813 -20.7783 -20.7783 -20.6337 -20.6337 -20.5291 -20.5291 -20.1934 -20.1934 -20.0506 -20.0506 -19.8867 -19.8867 -8.0879 -8.0879 1.2624 1.2624 2.4788 2.4788 2.5801 2.5801 5.1877 5.1877 5.3478 5.3478 8.9674 8.9674 9.4471 9.4471 k = 0.5000 0.2887 0.1788 ( 4928 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9836 -20.9836 -20.9165 -20.9165 -20.7812 -20.7812 -20.7781 -20.7781 -20.6337 -20.6337 -20.5291 -20.5291 -20.1934 -20.1934 -20.0506 -20.0506 -19.8863 -19.8863 -8.0928 -8.0928 1.2440 1.2440 2.5164 2.5164 2.5769 2.5769 5.2415 5.2415 5.2901 5.2901 8.9661 8.9661 9.4836 9.4836 k = 0.5000 0.2887 0.1650 ( 4924 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9836 -20.9836 -20.9163 -20.9163 -20.7812 -20.7812 -20.7779 -20.7779 -20.6337 -20.6337 -20.5290 -20.5290 -20.1934 -20.1934 -20.0506 -20.0506 -19.8859 -19.8859 -8.0976 -8.0976 1.2266 1.2266 2.5533 2.5533 2.5741 2.5741 5.2349 5.2349 5.2937 5.2937 8.9648 8.9648 9.5194 9.5194 k = 0.5000 0.2887 0.1513 ( 4924 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9836 -20.9836 -20.9163 -20.9163 -20.7812 -20.7812 -20.7778 -20.7778 -20.6337 -20.6337 -20.5290 -20.5290 -20.1934 -20.1934 -20.0506 -20.0506 -19.8856 -19.8856 -8.1021 -8.1021 1.2103 1.2103 2.5702 2.5702 2.5908 2.5908 5.1824 5.1824 5.3437 5.3437 8.9635 8.9635 9.5540 9.5540 k = 0.5000 0.2887 0.1375 ( 4928 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9836 -20.9836 -20.9162 -20.9162 -20.7811 -20.7811 -20.7777 -20.7777 -20.6338 -20.6338 -20.5290 -20.5290 -20.1934 -20.1934 -20.0507 -20.0507 -19.8853 -19.8853 -8.1064 -8.1064 1.1951 1.1951 2.5677 2.5677 2.6257 2.6257 5.1329 5.1329 5.3911 5.3911 8.9623 8.9623 9.5871 9.5871 k = 0.5000 0.2887 0.1238 ( 4936 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9837 -20.9837 -20.9162 -20.9162 -20.7811 -20.7811 -20.7777 -20.7777 -20.6338 -20.6338 -20.5290 -20.5290 -20.1934 -20.1934 -20.0507 -20.0507 -19.8851 -19.8851 -8.1103 -8.1103 1.1812 1.1812 2.5652 2.5652 2.6594 2.6594 5.0867 5.0867 5.4357 5.4357 8.9610 8.9610 9.6184 9.6184 k = 0.5000 0.2887 0.1100 ( 4944 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9837 -20.9837 -20.9162 -20.9162 -20.7811 -20.7811 -20.7776 -20.7776 -20.6338 -20.6338 -20.5290 -20.5290 -20.1934 -20.1934 -20.0507 -20.0507 -19.8849 -19.8849 -8.1140 -8.1140 1.1686 1.1686 2.5629 2.5629 2.6911 2.6911 5.0440 5.0440 5.4768 5.4768 8.9598 8.9598 9.6476 9.6476 k = 0.5000 0.2887 0.0963 ( 4942 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9837 -20.9837 -20.9161 -20.9161 -20.7811 -20.7811 -20.7775 -20.7775 -20.6338 -20.6338 -20.5290 -20.5290 -20.1934 -20.1934 -20.0507 -20.0507 -19.8847 -19.8847 -8.1173 -8.1173 1.1574 1.1574 2.5608 2.5608 2.7205 2.7205 5.0052 5.0052 5.5142 5.5142 8.9587 8.9587 9.6743 9.6743 k = 0.5000 0.2887 0.0825 ( 4950 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9160 -20.9160 -20.7811 -20.7811 -20.7774 -20.7774 -20.6339 -20.6339 -20.5290 -20.5290 -20.1935 -20.1935 -20.0508 -20.0508 -19.8845 -19.8845 -8.1201 -8.1201 1.1476 1.1476 2.5589 2.5589 2.7471 2.7471 4.9707 4.9707 5.5475 5.5475 8.9576 8.9576 9.6981 9.6981 k = 0.5000 0.2887 0.0688 ( 4948 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9160 -20.9160 -20.7811 -20.7811 -20.7773 -20.7773 -20.6339 -20.6339 -20.5290 -20.5290 -20.1935 -20.1935 -20.0508 -20.0508 -19.8843 -19.8843 -8.1226 -8.1226 1.1392 1.1392 2.5573 2.5573 2.7705 2.7705 4.9407 4.9407 5.5762 5.5762 8.9567 8.9567 9.7188 9.7188 k = 0.5000 0.2887 0.0550 ( 4942 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7811 -20.7811 -20.7773 -20.7773 -20.6338 -20.6338 -20.5290 -20.5290 -20.1934 -20.1934 -20.0508 -20.0508 -19.8842 -19.8842 -8.1247 -8.1247 1.1323 1.1323 2.5560 2.5560 2.7902 2.7902 4.9157 4.9157 5.6002 5.6002 8.9559 8.9559 9.7362 9.7362 k = 0.5000 0.2887 0.0413 ( 4944 PWs) bands (ev): -48.8364 -48.8364 -48.8051 -48.8051 -48.0869 -48.0869 -20.9837 -20.9837 -20.9159 -20.9159 -20.7810 -20.7810 -20.7773 -20.7773 -20.6338 -20.6338 -20.5290 -20.5290 -20.1934 -20.1934 -20.0508 -20.0508 -19.8841 -19.8841 -8.1263 -8.1263 1.1269 1.1269 2.5550 2.5550 2.8060 2.8060 4.8958 4.8958 5.6192 5.6192 8.9552 8.9552 9.7500 9.7500 k = 0.5000 0.2887 0.0275 ( 4952 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7810 -20.7810 -20.7773 -20.7773 -20.6339 -20.6339 -20.5291 -20.5291 -20.1935 -20.1935 -20.0508 -20.0508 -19.8840 -19.8840 -8.1275 -8.1275 1.1230 1.1230 2.5542 2.5542 2.8176 2.8176 4.8814 4.8814 5.6329 5.6329 8.9548 8.9548 9.7599 9.7599 k = 0.5000 0.2887 0.0138 ( 4952 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7811 -20.7811 -20.7772 -20.7772 -20.6339 -20.6339 -20.5290 -20.5290 -20.1935 -20.1935 -20.0508 -20.0508 -19.8840 -19.8840 -8.1282 -8.1282 1.1207 1.1207 2.5538 2.5538 2.8246 2.8246 4.8727 4.8727 5.6412 5.6412 8.9545 8.9545 9.7660 9.7660 k = 0.5000 0.2887-0.0000 ( 4948 PWs) bands (ev): -48.8364 -48.8364 -48.8052 -48.8052 -48.0869 -48.0869 -20.9838 -20.9838 -20.9159 -20.9159 -20.7811 -20.7811 -20.7772 -20.7772 -20.6339 -20.6339 -20.5290 -20.5290 -20.1934 -20.1934 -20.0508 -20.0508 -19.8840 -19.8840 -8.1284 -8.1284 1.1199 1.1199 2.5536 2.5536 2.8269 2.8269 4.8698 4.8698 5.6440 5.6440 8.9544 8.9544 9.7680 9.7680 k = 0.3333 0.5774-0.0000 ( 4923 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0023 -21.0023 -20.8930 -20.8930 -20.7947 -20.7947 -20.7255 -20.7255 -20.6919 -20.6919 -20.5146 -20.5146 -20.1935 -20.1935 -20.0510 -20.0510 -19.8840 -19.8840 -8.1101 -8.1101 1.6420 1.6420 1.6461 1.6461 2.8597 2.8597 5.9081 5.9081 5.9142 5.9142 7.0845 7.0845 9.6626 9.6626 k = 0.3333 0.5774 0.0138 ( 4935 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0024 -21.0024 -20.8930 -20.8930 -20.7948 -20.7948 -20.7256 -20.7256 -20.6920 -20.6920 -20.5146 -20.5146 -20.1936 -20.1936 -20.0511 -20.0511 -19.8840 -19.8840 -8.1099 -8.1099 1.6426 1.6426 1.6467 1.6467 2.8580 2.8580 5.9067 5.9067 5.9128 5.9128 7.0873 7.0873 9.6598 9.6598 k = 0.3333 0.5774 0.0275 ( 4935 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0024 -21.0024 -20.8931 -20.8931 -20.7948 -20.7948 -20.7256 -20.7256 -20.6920 -20.6920 -20.5146 -20.5146 -20.1936 -20.1936 -20.0511 -20.0511 -19.8841 -19.8841 -8.1092 -8.1092 1.6444 1.6444 1.6486 1.6486 2.8527 2.8527 5.9024 5.9024 5.9085 5.9085 7.0957 7.0957 9.6515 9.6515 k = 0.3333 0.5774 0.0413 ( 4929 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0024 -21.0024 -20.8930 -20.8930 -20.7948 -20.7948 -20.7256 -20.7256 -20.6920 -20.6920 -20.5146 -20.5146 -20.1936 -20.1936 -20.0511 -20.0511 -19.8842 -19.8842 -8.1080 -8.1080 1.6475 1.6475 1.6516 1.6516 2.8439 2.8439 5.8952 5.8952 5.9013 5.9013 7.1095 7.1095 9.6380 9.6381 k = 0.3333 0.5774 0.0550 ( 4935 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0024 -21.0024 -20.8931 -20.8931 -20.7949 -20.7949 -20.7256 -20.7256 -20.6919 -20.6919 -20.5146 -20.5146 -20.1936 -20.1936 -20.0511 -20.0511 -19.8843 -19.8843 -8.1064 -8.1064 1.6518 1.6518 1.6559 1.6559 2.8318 2.8318 5.8852 5.8852 5.8912 5.8912 7.1288 7.1288 9.6199 9.6199 k = 0.3333 0.5774 0.0688 ( 4935 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0025 -21.0025 -20.8931 -20.8931 -20.7949 -20.7949 -20.7256 -20.7256 -20.6919 -20.6919 -20.5146 -20.5146 -20.1936 -20.1936 -20.0510 -20.0510 -19.8845 -19.8845 -8.1044 -8.1044 1.6573 1.6573 1.6614 1.6614 2.8166 2.8166 5.8725 5.8725 5.8784 5.8784 7.1533 7.1533 9.5972 9.5972 k = 0.3333 0.5774 0.0825 ( 4938 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0025 -21.0025 -20.8931 -20.8931 -20.7950 -20.7950 -20.7256 -20.7256 -20.6919 -20.6919 -20.5147 -20.5147 -20.1936 -20.1936 -20.0511 -20.0511 -19.8846 -19.8846 -8.1019 -8.1019 1.6639 1.6639 1.6680 1.6680 2.7983 2.7983 5.8571 5.8571 5.8629 5.8629 7.1828 7.1828 9.5711 9.5711 k = 0.3333 0.5774 0.0963 ( 4938 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0026 -21.0026 -20.8931 -20.8931 -20.7950 -20.7950 -20.7257 -20.7257 -20.6919 -20.6919 -20.5147 -20.5147 -20.1936 -20.1936 -20.0510 -20.0510 -19.8848 -19.8848 -8.0991 -8.0991 1.6716 1.6716 1.6758 1.6758 2.7773 2.7773 5.8391 5.8391 5.8449 5.8449 7.2172 7.2172 9.5422 9.5428 k = 0.3333 0.5774 0.1100 ( 4944 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0027 -21.0027 -20.8932 -20.8932 -20.7952 -20.7952 -20.7257 -20.7257 -20.6919 -20.6919 -20.5147 -20.5147 -20.1936 -20.1936 -20.0510 -20.0510 -19.8850 -19.8850 -8.0959 -8.0959 1.6805 1.6805 1.6846 1.6846 2.7538 2.7538 5.8186 5.8186 5.8243 5.8243 7.2562 7.2562 9.5110 9.5110 k = 0.3333 0.5774 0.1238 ( 4944 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0027 -21.0027 -20.8932 -20.8932 -20.7952 -20.7952 -20.7258 -20.7258 -20.6919 -20.6919 -20.5147 -20.5147 -20.1936 -20.1936 -20.0510 -20.0510 -19.8853 -19.8853 -8.0923 -8.0923 1.6903 1.6903 1.6945 1.6945 2.7281 2.7281 5.7958 5.7958 5.8014 5.8014 7.2995 7.2995 9.4783 9.4783 k = 0.3333 0.5774 0.1375 ( 4938 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0027 -21.0027 -20.8932 -20.8932 -20.7953 -20.7953 -20.7258 -20.7258 -20.6918 -20.6918 -20.5147 -20.5147 -20.1936 -20.1936 -20.0510 -20.0510 -19.8855 -19.8855 -8.0884 -8.0884 1.7012 1.7012 1.7054 1.7054 2.7005 2.7005 5.7707 5.7707 5.7763 5.7763 7.3468 7.3468 9.4446 9.4446 k = 0.3333 0.5774 0.1513 ( 4938 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0028 -21.0028 -20.8933 -20.8933 -20.7954 -20.7954 -20.7258 -20.7258 -20.6918 -20.6918 -20.5147 -20.5147 -20.1936 -20.1936 -20.0509 -20.0509 -19.8858 -19.8858 -8.0842 -8.0842 1.7130 1.7130 1.7172 1.7172 2.6712 2.6712 5.7437 5.7437 5.7491 5.7491 7.3980 7.3980 9.4106 9.4106 k = 0.3333 0.5774 0.1650 ( 4944 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0029 -21.0029 -20.8933 -20.8933 -20.7956 -20.7956 -20.7259 -20.7259 -20.6917 -20.6917 -20.5147 -20.5147 -20.1936 -20.1936 -20.0509 -20.0509 -19.8861 -19.8861 -8.0797 -8.0797 1.7257 1.7257 1.7299 1.7299 2.6405 2.6405 5.7148 5.7148 5.7201 5.7201 7.4526 7.4526 9.3766 9.3766 k = 0.3333 0.5774 0.1788 ( 4953 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0030 -21.0030 -20.8934 -20.8934 -20.7957 -20.7957 -20.7259 -20.7259 -20.6917 -20.6917 -20.5147 -20.5147 -20.1936 -20.1936 -20.0509 -20.0509 -19.8865 -19.8865 -8.0750 -8.0750 1.7391 1.7391 1.7434 1.7434 2.6088 2.6088 5.6843 5.6843 5.6895 5.6895 7.5103 7.5103 9.3430 9.3430 k = 0.3333 0.5774 0.1925 ( 4941 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0030 -21.0030 -20.8934 -20.8934 -20.7959 -20.7959 -20.7260 -20.7260 -20.6916 -20.6916 -20.5146 -20.5146 -20.1935 -20.1935 -20.0508 -20.0508 -19.8868 -19.8868 -8.0701 -8.0701 1.7533 1.7533 1.7575 1.7575 2.5764 2.5764 5.6523 5.6523 5.6574 5.6574 7.5710 7.5710 9.3103 9.3103 k = 0.3333 0.5774 0.2063 ( 4935 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0031 -21.0031 -20.8934 -20.8934 -20.7959 -20.7959 -20.7260 -20.7260 -20.6916 -20.6916 -20.5147 -20.5147 -20.1935 -20.1935 -20.0508 -20.0508 -19.8871 -19.8871 -8.0651 -8.0651 1.7681 1.7681 1.7723 1.7723 2.5435 2.5435 5.6192 5.6192 5.6241 5.6241 7.6342 7.6342 9.2787 9.2787 k = 0.3333 0.5774 0.2201 ( 4935 PWs) bands (ev): -48.8208 -48.8208 -48.8208 -48.8208 -48.0869 -48.0869 -21.0031 -21.0031 -20.8935 -20.8935 -20.7960 -20.7960 -20.7260 -20.7260 -20.6915 -20.6915 -20.5147 -20.5147 -20.1935 -20.1935 -20.0508 -20.0508 -19.8874 -19.8874 -8.0599 -8.0599 1.7834 1.7834 1.7876 1.7876 2.5104 2.5104 5.5851 5.5851 5.5899 5.5899 7.6998 7.6998 9.2483 9.2483 k = 0.3333 0.5774 0.2338 ( 4929 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0869 -48.0869 -21.0032 -21.0032 -20.8935 -20.8935 -20.7961 -20.7961 -20.7260 -20.7260 -20.6915 -20.6915 -20.5147 -20.5147 -20.1935 -20.1935 -20.0507 -20.0507 -19.8877 -19.8877 -8.0547 -8.0547 1.7991 1.7991 1.8034 1.8034 2.4774 2.4774 5.5503 5.5503 5.5550 5.5550 7.7673 7.7673 9.2195 9.2195 k = 0.3333 0.5774 0.2476 ( 4917 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0032 -21.0032 -20.8935 -20.8935 -20.7963 -20.7963 -20.7261 -20.7261 -20.6914 -20.6914 -20.5146 -20.5146 -20.1935 -20.1935 -20.0506 -20.0506 -19.8881 -19.8881 -8.0494 -8.0494 1.8151 1.8151 1.8194 1.8194 2.4448 2.4448 5.5151 5.5151 5.5197 5.5197 7.8365 7.8365 9.1922 9.1922 k = 0.3333 0.5774 0.2613 ( 4908 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0033 -21.0033 -20.8935 -20.8935 -20.7963 -20.7963 -20.7261 -20.7261 -20.6913 -20.6913 -20.5146 -20.5146 -20.1935 -20.1935 -20.0506 -20.0506 -19.8883 -19.8883 -8.0442 -8.0442 1.8314 1.8314 1.8357 1.8357 2.4127 2.4127 5.4799 5.4799 5.4843 5.4843 7.9070 7.9070 9.1666 9.1666 k = 0.3333 0.5774 0.2751 ( 4899 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0033 -21.0033 -20.8935 -20.8935 -20.7964 -20.7964 -20.7261 -20.7261 -20.6913 -20.6913 -20.5146 -20.5146 -20.1934 -20.1934 -20.0505 -20.0505 -19.8886 -19.8886 -8.0390 -8.0390 1.8476 1.8476 1.8520 1.8520 2.3814 2.3814 5.4447 5.4447 5.4490 5.4490 7.9786 7.9786 9.1427 9.1427 k = 0.3333 0.5774 0.2888 ( 4905 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0034 -21.0034 -20.8936 -20.8936 -20.7966 -20.7966 -20.7261 -20.7261 -20.6912 -20.6912 -20.5146 -20.5146 -20.1934 -20.1934 -20.0505 -20.0505 -19.8890 -19.8890 -8.0339 -8.0339 1.8638 1.8638 1.8682 1.8682 2.3512 2.3512 5.4100 5.4100 5.4143 5.4143 8.0508 8.0508 9.1206 9.1206 k = 0.3333 0.5774 0.3026 ( 4923 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0035 -21.0035 -20.8937 -20.8937 -20.7967 -20.7967 -20.7262 -20.7262 -20.6912 -20.6912 -20.5147 -20.5147 -20.1935 -20.1935 -20.0506 -20.0506 -19.8894 -19.8894 -8.0289 -8.0289 1.8798 1.8798 1.8842 1.8842 2.3221 2.3221 5.3761 5.3761 5.3802 5.3802 8.1233 8.1233 9.1002 9.1002 k = 0.3333 0.5774 0.3163 ( 4929 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0036 -21.0036 -20.8937 -20.8937 -20.7969 -20.7969 -20.7263 -20.7263 -20.6912 -20.6912 -20.5147 -20.5147 -20.1935 -20.1935 -20.0505 -20.0505 -19.8897 -19.8897 -8.0241 -8.0241 1.8954 1.8954 1.8998 1.8998 2.2945 2.2945 5.3432 5.3432 5.3472 5.3472 8.1957 8.1957 9.0815 9.0815 k = 0.3333 0.5774 0.3301 ( 4926 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0037 -21.0037 -20.8938 -20.8938 -20.7970 -20.7970 -20.7263 -20.7263 -20.6912 -20.6912 -20.5147 -20.5147 -20.1935 -20.1935 -20.0505 -20.0505 -19.8900 -19.8900 -8.0196 -8.0196 1.9105 1.9105 1.9150 1.9150 2.2684 2.2684 5.3117 5.3117 5.3156 5.3156 8.2675 8.2675 9.0646 9.0646 k = 0.3333 0.5774 0.3438 ( 4926 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0037 -21.0037 -20.8938 -20.8938 -20.7971 -20.7971 -20.7264 -20.7264 -20.6911 -20.6911 -20.5148 -20.5148 -20.1935 -20.1935 -20.0505 -20.0505 -19.8903 -19.8903 -8.0152 -8.0152 1.9250 1.9250 1.9295 1.9295 2.2441 2.2441 5.2817 5.2817 5.2855 5.2855 8.3381 8.3381 9.0493 9.0493 k = 0.3333 0.5774 0.3576 ( 4926 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0038 -21.0038 -20.8938 -20.8938 -20.7972 -20.7972 -20.7264 -20.7264 -20.6911 -20.6911 -20.5148 -20.5148 -20.1935 -20.1935 -20.0505 -20.0505 -19.8905 -19.8905 -8.0112 -8.0112 1.9387 1.9387 1.9432 1.9432 2.2217 2.2217 5.2537 5.2537 5.2574 5.2574 8.4070 8.4070 9.0357 9.0357 k = 0.3333 0.5774 0.3713 ( 4932 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0039 -21.0039 -20.8939 -20.8939 -20.7973 -20.7973 -20.7265 -20.7265 -20.6911 -20.6911 -20.5147 -20.5147 -20.1935 -20.1935 -20.0505 -20.0505 -19.8908 -19.8908 -8.0075 -8.0075 1.9514 1.9514 1.9559 1.9559 2.2013 2.2013 5.2277 5.2277 5.2314 5.2314 8.4733 8.4733 9.0237 9.0237 k = 0.3333 0.5774 0.3851 ( 4932 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0039 -21.0039 -20.8939 -20.8939 -20.7974 -20.7974 -20.7265 -20.7265 -20.6910 -20.6910 -20.5148 -20.5148 -20.1935 -20.1935 -20.0504 -20.0504 -19.8910 -19.8910 -8.0042 -8.0042 1.9630 1.9630 1.9675 1.9675 2.1830 2.1830 5.2042 5.2042 5.2078 5.2078 8.5362 8.5362 9.0132 9.0132 k = 0.3333 0.5774 0.3988 ( 4920 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0039 -21.0039 -20.8939 -20.8939 -20.7974 -20.7974 -20.7265 -20.7265 -20.6910 -20.6910 -20.5147 -20.5147 -20.1935 -20.1935 -20.0504 -20.0504 -19.8912 -19.8912 -8.0012 -8.0012 1.9733 1.9733 1.9779 1.9779 2.1670 2.1670 5.1834 5.1834 5.1869 5.1869 8.5947 8.5947 9.0042 9.0042 k = 0.3333 0.5774 0.4126 ( 4917 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0040 -21.0040 -20.8939 -20.8939 -20.7975 -20.7975 -20.7265 -20.7265 -20.6910 -20.6910 -20.5147 -20.5147 -20.1935 -20.1935 -20.0504 -20.0504 -19.8913 -19.8913 -7.9987 -7.9987 1.9824 1.9824 1.9870 1.9870 2.1533 2.1533 5.1653 5.1653 5.1688 5.1688 8.6477 8.6477 8.9967 8.9967 k = 0.3333 0.5774 0.4264 ( 4917 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0040 -21.0040 -20.8939 -20.8939 -20.7975 -20.7975 -20.7265 -20.7265 -20.6909 -20.6909 -20.5147 -20.5147 -20.1935 -20.1935 -20.0504 -20.0504 -19.8914 -19.8914 -7.9966 -7.9966 1.9899 1.9899 1.9945 1.9945 2.1420 2.1420 5.1503 5.1503 5.1537 5.1537 8.6938 8.6938 8.9906 8.9906 k = 0.3333 0.5774 0.4401 ( 4929 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0040 -21.0040 -20.8940 -20.8940 -20.7976 -20.7976 -20.7266 -20.7266 -20.6909 -20.6909 -20.5147 -20.5147 -20.1935 -20.1935 -20.0504 -20.0504 -19.8916 -19.8916 -7.9949 -7.9949 1.9958 1.9958 2.0005 2.0005 2.1331 2.1331 5.1385 5.1385 5.1419 5.1419 8.7316 8.7316 8.9858 8.9858 k = 0.3333 0.5774 0.4539 ( 4923 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0041 -21.0041 -20.8940 -20.8940 -20.7977 -20.7977 -20.7266 -20.7266 -20.6909 -20.6909 -20.5147 -20.5147 -20.1935 -20.1935 -20.0503 -20.0503 -19.8917 -19.8917 -7.9937 -7.9937 2.0002 2.0002 2.0049 2.0049 2.1267 2.1267 5.1299 5.1299 5.1333 5.1333 8.7598 8.7598 8.9825 8.9825 k = 0.3333 0.5774 0.4676 ( 4929 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0041 -21.0041 -20.8940 -20.8940 -20.7977 -20.7977 -20.7266 -20.7266 -20.6909 -20.6909 -20.5147 -20.5147 -20.1935 -20.1935 -20.0503 -20.0503 -19.8918 -19.8918 -7.9930 -7.9930 2.0028 2.0028 2.0075 2.0075 2.1229 2.1229 5.1247 5.1247 5.1281 5.1281 8.7772 8.7772 8.9805 8.9805 k = 0.3333 0.5774 0.4814 ( 4920 PWs) bands (ev): -48.8207 -48.8207 -48.8207 -48.8207 -48.0868 -48.0868 -21.0041 -21.0041 -20.8940 -20.8940 -20.7977 -20.7977 -20.7266 -20.7266 -20.6909 -20.6909 -20.5147 -20.5147 -20.1934 -20.1934 -20.0503 -20.0503 -19.8918 -19.8918 -7.9928 -7.9928 2.0036 2.0036 2.0084 2.0084 2.1216 2.1216 5.1230 5.1230 5.1264 5.1264 8.7831 8.7831 8.9798 8.9798 Writing output data file Na3N.save init_run : 0.10s CPU 0.21s WALL ( 1 calls) electrons : 86.02s CPU 87.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 86.01s CPU 87.62s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 340 calls) cegterg : 77.92s CPU 78.96s WALL ( 356 calls) Called by sum_band: Called by *egterg: h_psi : 46.12s CPU 46.99s WALL ( 5769 calls) s_psi : 0.67s CPU 0.72s WALL ( 5769 calls) g_psi : 0.12s CPU 0.14s WALL ( 5073 calls) cdiaghg : 30.06s CPU 30.30s WALL ( 5413 calls) cegterg:over : 2.45s CPU 2.68s WALL ( 5073 calls) cegterg:upda : 2.53s CPU 2.66s WALL ( 5073 calls) cegterg:last : 1.09s CPU 1.04s WALL ( 696 calls) cdiaghg:chol : 1.63s CPU 1.61s WALL ( 5413 calls) cdiaghg:inve : 1.15s CPU 1.01s WALL ( 5413 calls) cdiaghg:para : 1.53s CPU 1.69s WALL ( 10826 calls) Called by h_psi: h_psi:vloc : 43.88s CPU 44.69s WALL ( 5769 calls) h_psi:vnl : 2.12s CPU 2.18s WALL ( 5769 calls) add_vuspsi : 0.72s CPU 0.85s WALL ( 5769 calls) General routines calbec : 1.37s CPU 1.31s WALL ( 5769 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.52s CPU 42.28s WALL ( 413048 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.21s WALL ( 680 calls) Parallel routines fft_scatter : 13.72s CPU 13.68s WALL ( 413071 calls) PWSCF : 1m39.42s CPU 1m56.98s WALL This run was terminated on: 20:57:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=