PSTRESS

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Revision as of 10:40, 28 September 2018 by Karsai (talk | contribs)

PSTRESS = [real] 

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 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


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