STOPCAR: Difference between revisions
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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.