[Pw_forum] how to print trajectory and velocity pw.x

Ananya Mondal ananyamondol3 at gmail.com
Fri Sep 28 18:03:27 CEST 2012


Hi,
I am a new user of quantum espresso. I have downloaded one MD input file from
http://www.vlab.msi.umn.edu/events/download/
and able to run the molecular dynamics on the ground-state BO surface
using the pw.x (quantum espresso 5.0.1). The out files are like md.out,
pwscf.md, pwscf.mix1, pwscf.msd.dat, pwscf.rdf.dat, pwscf.wfc1,



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