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External Pressure
Posted: Tue Oct 11, 2022 5:02 am
by karthik_hj
What is the procedure to apply external pressure to a unit-cell in VASP? Is PSTRESS tag used for applying an external pressure? The unit of PSTRESS is given as kb, is it kilobar or something else?
Re: External Pressure
Posted: Tue Oct 11, 2022 7:43 am
by fabien_tran1
Hi,
At
PSTRESS it is written "This allows performing structure optimization at a specific external pressure.". Yes, kB is kbar.
Re: External Pressure
Posted: Mon Oct 17, 2022 5:13 am
by karthik_hj
Thank you