1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43
|
! Band structure of AlAs which produces a band-structure with line thickness
! proportional to the atomic character. You can produce the plot by running
!
! xmgrace -settype xydy BAND_S02_A0001.OUT -settype xy BANDLINES.OUT -param AlAs.par
!
! You can change the graph appearance either in xmgrace or by editing AlAs.par
tasks
0
21
nempty
8
plot1d
3 200 : nvp1d, npp1d
0.5 0.0 0.0 : vlvp1d
0.0 0.0 0.0
0.5 0.5 0.0
avec
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5
scale
10.53
sppath
'../../../species/'
atoms
2 : nspecies
'Al.in' : spfname
1 : natoms; atposl below
0.0 0.0 0.0
'As.in'
1
0.25 0.25 0.25
ngridk
4 4 4
|