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

[Paolo Giannozzi]

For fixed-cell calculations, yes, all details should be in 
dynamics_module.f90

Paolo

On 22/05/2022 09:50, Steven Best wrote:
> 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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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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