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Stop VASP during the program execution

STOPCAR

During the VASP program execution, we can creat a file names STOPCAR to stop the program. If the STOPCAR contains the line:

1
LSTOP = .TRUE.

then VASP will stop at the next ionic step.

If the STOPCAR contains the line:

1
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.

Reference:

STOPCAR - Vaspwiki

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