Hello Aouchenni
u need to add 4 number in SystemLabel.EIG at the first line.like this
(after Fermi energy)
1000 .15 -10 10
save it and run
$ eig2dos <SystemLabel.EIG> dos.dat
------ eig2dos is in ~/siesta/Utile/eig2dos ----
u must now have a dos.dat file that can plot it with Grace OR gnuplot.
hope to help
Best
Drg
On 5/20/13, aouchenni boudjemaa <[email protected]> wrote:
> Hello siesta users,
> I would calculate the DOS of my structures ( I have the
> primitive vectors, the volume, the reciprocal vectors and the basis vectors
> (position of atoms in lattice coordinates and the cartesian coordinates)) so
> I ask you if I need to other parameters to include to calculate DOS. I think
> we need to pseudopotensails of itch kind of speacies.
> Can everyonehelp me?
>
> Aouchenni Boudjemaa
>
--
with the best wishes...
