PSTRESS: Difference between revisions

Revision as of 18:35, 7 March 2019

Description: This flag controls whether Pulay corrections are added to the stress tensor or not.

If the PSTRESS tag is specified VASP will add this stress to the stress tensor, and an energy $E= V * \mathrm{PSTRESS}$ to the energy. This allows the user to converge to a specified external pressure. Before using this tag please read the section Energy vs volume Volume relaxations and Pulay stress

Examples that use this tag

Contents

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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Forces]]		[[Category:INCAR]][[Category:Structural Optimization]][[Category:Forces]]