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STOPCAR file

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 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.



Georg Kresse
2009-04-23