[DFTB-Plus-User] DFTB+ MODES runtime error

[Bálint Aradi]

Dear Varuni,

> I'm trying to use the MODES utility to get the vibrational modes with
> DFTB+. I use the binary from version 17.1 and set
> 
> ulimit -s unlimited

Could you try to set the option

WriteHsdInput = No

in your input?


  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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