[Pw_forum] converter for XYZ file of B.O MD.

FF_解析セ_奥野幸洋 yukihiro.okuno at fujifilm.com
Mon Jan 19 06:54:54 CET 2015


Dear PWSCF users and developer.

I'm now try to calculate Born Oppenheimer molecular dynamics.
I want to see the trajectory of molecular dynamics of pw.x
by using VMD.

Are there any converter script for pw.x output file to XYZ file
(not only the initial or final, but the all the trajectory of atomic
positions) for viewing VMD software?

Sincerely,

Yukihiro Okuno

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