Dear Deepak,
thank you for your interest in using my scripts.
Your problems are the following:
1. When generating your RHO on a grid
(as prompted
"Enter number of grid points along three vectors"
by rho2xsf),
you apparently passed three numbers (0, 0, 10). This generated
a one-dim. grid, see the end of your "scat.XSF" file:
BEGIN_BLOCK_DATAGRID_1D
DATA_from:scat.RHO
BEGIN_DATAGRID_1D_RHO:spin_1
10
0.0000000E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00 1.7050300E+01
0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.00000E+00
0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
END_DATAGRID_1D
END_BLOCK_DATAGRID_1D
The format of this block is analogous to that of 2D and 3D blocks
in XCrySDen, but in fact XCrySDen does not support plotting 1-dim. grids,
see
http://www.xcrysden.org/doc/XSF.html#__toc__11
Which is quite understandable, because in order to plot a Y(X) function
you don't need any XCrySDen.
If this is indeed your intention, you can use another my script,
http://www.home.uni-osnabrueck.de/apostnik/Software/rho2xy.f
created for exactly this purpose. You can then plot its result
with gnuplot, grace, or whatever.
But still, you should make a reasonable choice of your grid.
For the moment, you defined a line which runs from
(0, 0, 0) to (0, 0, 17.0503)
whereas your system contains the atoms in a plane with X=5.
So you scan parallel to your graphene at 5 Ang distance;
no wonder the result is zero everywhere.
2. What you attached under the name 'scat.LDOS' does not look like
a .LDOS file to me (which must be binary, I think) but rather
like a energy-resolved density of states ( .PDOS file?)
Again, you can visualize it with your favorite Y(X) viewer;
XCrySDen won't help you, and rho2xsf is not supposed to transform
this file.
Best regards
Andrei Postnikov
> Hi
>
> i downloaded utils from Andrei's homepage that to plot charge densities
> and
> tried to plot it using rho2xsf file. when it asks for add property to
> grid,
> if i add LDOS file it shows
>
> "At line 148 of file rho2xsf (unit=12, file = "scat.LDOS")
> Fortran runtime error; End of file"
>
> and exits
>
> however if i add the rho file i t works fine and creates the XSF file
>
> But when i open it in my xcrysden itshows error while parsing the file
>
> i have attached my ldos and XSF file with this mail
>
> --
> regards
> deepak
> 3rd Year Under Graduate
> Electronics Design and Manufacturing
> IIIT (D&M),Kancheepuram
> IIT Madras Campus,Chennai
>
