[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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