[Pw_forum] (no subject)
Paolo Giannozzi
giannozz at nest.sns.it
Thu Feb 20 22:25:25 CET 2003
Hi
> I want to calculate the phonon density of states from pwscf but I don't
> know how to calculate it. Does the program calculate it directly or one
> has to modify it?
in the new version, you can, using program "matdyn.x" (after you
have calculated force constants in reals space: see example 6).
See comments at the beginning of pwtools/matdyn.f90
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050509412
Piazza dei Cavalieri 7 Fax: +39/050509417, 050563513
I-56126 Pisa, Italy Office: Lab. NEST, Via della Faggiola 19
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