[QE-users] Thermostat details for molecular dynamics with pw.x

Steven Best steven.best at hdr.qut.edu.au
Sun May 22 09:50:05 CEST 2022


Hello QE Community,

I am using pw.x with the md option.
I want to see the details of how the thermostat calculations are applied.
Are all the details within the dynamics_module.f90?
Are there any other files to look at?

Thanks,
Steven

Steven Best
PhD Student,
School of Chemistry and Physics,
Queensland University of Technology, Brisbane, Australia
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