STOPCAR

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Revision as of 11:20, 22 January 2017 by Karsai (talk | contribs) (Created page with "Using the {{TAG|STOPCAR}} file it is possible to stop VASP during the program execution. If the {{TAG|STOPCAR}} file contains the line LSTOP = .TRUE. than VASP stops at the...")
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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.

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