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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people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
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Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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