STOPCAR: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
Line 11: Line 11:


----
----
[[The_VASP_Manual|Contents]]


[[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.