STOPCAR: Difference between revisions

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(Created page with "Using the {{TAG|STOPCAR}} file it is possible to stop VASP during the program execution. If the {{TAG|STOPCAR}} file contains the line LSTOP = .TRUE. than VASP stops at the...")
 
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  LSTOP = .TRUE.
  LSTOP = .TRUE.


than VASP stops at the next ionic step. On the other hand, if the {{TAG|STOPCAR} file contains the line
then VASP stops at the next ionic step. On the other hand, if the {{TAG|STOPCAR}} file contains the line


   LABORT = .TRUE.
   LABORT = .TRUE.
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[[The_VASP_Manual|Contents]]


[[Category:VASP]][[Category:Files]]
[[Category:Files]]

Latest revision as of 08:21, 20 October 2023

Using the STOPCAR file it is possible to stop VASP during the program execution. If the STOPCAR file contains the line

LSTOP = .TRUE.

then VASP stops at the next ionic step. On the other hand, if the STOPCAR file contains the line

 LABORT = .TRUE.

VASP stops at the next electronic step, i.e. WAVECAR and CHGCAR might contain non converged results.

If possible use the first option.