Hello QE community, I am performing an AIMD simulation of metallic alloys and encountering huge pressure(~50 to -50 Kbar) fluctuations, i wanted to set pressure around zero during NVT simulations with temperature reduction(reduce -T)or rescaling. Currently, I'm manually adjusting the box size after each certain MD steps (nstep-200) to fix this. Is there an automated way to maintain constant zero pressure? The barasat is available for NPT simulation but i am using "reduce -T" option so i can't do NPT simulation way. Or i can change some part of script in "dynamics_module.f90".
Thanks Regards Jayraj Anadani SPU Research scholar
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