to obtain projected density graph you should use fmpdos utility from utils
after getting *.PDOS file.
go to terminal and enter ./fmpdos, then in terminal output file name will
be asked give that name as pdos.dat again it will ask the atom symbol of
which you want to PDOS gaph and also give for which orbital state you need
PDOS.
for example IF YOU WANT PDOS FOR 2P.
then n=2
l=1
m=9 for all m.
On Mon, Jul 25, 2016 at 8:34 AM, 懒人的冥想 <smy199...@foxmail.com> wrote:
> Dear all.
> As a beginner,I donot know how to get the graph by using .PDOS
> and .RHO file which come from the result of siesta.I hope for your hlep.
> Notions,I should use rho2xsf to get .XSF file for .RHO file ,and
> then use XCRYSDEN to get my graph,but how to 0perate?moreover,for .PDOS
> file,what should I do?
>
