[DFTB-Plus-User] modes Calculations with DFTB+

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Wed Apr 3 09:09:45 CEST 2013


> Hello,
> I tried to calculate vibration spectra by using MODES, while it crashed by
> saying: "Segmentation fault"
> Anyone knows what is wrong with this problem.

Do you use the binary from the website? Could you then try to set the
usual stack limit to unlimited, that may solve your problem. Just do
depending on your shell

ulimit -s unlimited (in BASH)
limit stack unlimited (in (T)CSH)

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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