[QE-users] Pw.x md output data

[Roman Voronkov]

Dear all,

I've done some molecular dynamics calculations with pw.x. I wonder if it is
possible to get file with energy/volume/pressure/etc. for each time step
(like .evp file in cp.x) with some of QE tools or I need to make my own
script or programm?

With these calculations I've also got some strange files named tv, p, eal,
e, avec, ave. Maybe these files contain what I need? Can someone explain
the use of these files?

Best regards, Roman Voronkov
PhD student
LPI RAS
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