[Pw_forum] How to restart md calculation using pw.x

willy kohn willykohn at gmail.com
Tue May 17 18:05:43 CEST 2011

Dear Pwscf Users:

I'm trying to use the "md" option in the pw.x to do some
Born-Oppenheimer molecular dynamics calculation, but found that there
is no way to restart the md calculation from the last configuration
(including both positions and velocities) of atoms in a properly
finished running. I'm wondering if there is a simple solution for



student of Gatech

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