PSTRESS: Difference between revisions
(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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Description: This flag controls whether Pulay corrections are added to the stress tensor or not. | Description: This flag controls whether Pulay corrections are added to the stress tensor or not. | ||
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If the {{TAG|PSTRESS}} tag is specified VASP will add this stress to the stress tensor, and an energy <math> E= V * \mathrm{PSTRESS} </math> to the energy. This allows the user to converge to a specified external pressure. | If the {{TAG|PSTRESS}} tag is specified VASP will add this stress to the stress tensor, and an energy <math> E= V * \mathrm{PSTRESS} </math> to the energy. This allows the user to converge to a specified external pressure. | ||
{{sc|PSTRESS|Examples|Examples that use this tag}} | |||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] | [[Category:INCAR]] | ||
Revision as of 13:03, 20 March 2017
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 [math]\displaystyle{ E= V * \mathrm{PSTRESS} }[/math] to the energy. This allows the user to converge to a specified external pressure.