[DFTB-Plus-User] Problem in running the modes program

[Bálint Aradi]

Dear Nwakamma,

Modes input file you find in the documentation section of DFTB+ on
DFTB-PLUS.INFO or explicitely at this link:

http://www.dftb-plus.info/fileadmin/DFTB-Plus/public/dftb/current/modes_in.hsd

First, you have to run DFTB+ (dftb_in.hsd) with Driver =
SecondDerivatives {} which would give you hessian.out. Then, you start
modes using modes_in.hsd as input.

For further details please consult the according manuals.

  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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