[Pw_forum] PDOS for P symmetry lacking in Ni

[Eduardo Ariel Menendez Proupin]

Hi Gabriele,
Thank you for your comments.
I think that better than adding new capabilities to the ld1 program, and a
new "opportunity" to  users to curse pseudopotentials, it is easier to add
to projwfc.x the capability to project onto a Slater or Gaussian orbital
that the user can define giving a covalent or ionic radius. I know a popular
code that uses just a constant function up to a given radius.

Have a nice weekend
Eduardo

-- 


Eduardo Menendez
Departamento de Fisica
Facultad de Ciencias
Universidad de Chile
Phone: (56)(2)9787439
URL: http://fisica.ciencias.uchile.cl/~emenendez

They did it!
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