PSTRESS

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Revision as of 16:52, 16 January 2017 by Karsai (talk | contribs) (Created page with "{{TAGDEF|PSTRESS|[real]}} Description: This flag controls whether Pulay corrections are added to the stress tensor or not. If the {{TAG|PSTRESS}} tag is specified VASP will...")
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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.


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