All requests for technical support from the VASP group must be addressed to: vasp.materialphysik@univie.ac.at

STOPCAR

From Vaspwiki
Jump to: navigation, search

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

LSTOP = .TRUE.

than VASP stops at the next ionic step. On the other hand, if the {{TAG|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.


Contents