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]] | ||