[DFTB-Plus-User] Request for Radial distribution function from md output and severe (174): SIGSEGV, segmentation fault occurred

Ben Hourahine benjamin.hourahine at strath.ac.uk
Tue Jan 5 13:38:30 CET 2016

Hello Faruq,

the data in your file velocity.txt are probably in AA / ps, not the
atomic units DFTB is expecting (there is no unit modifier for the
Velocities block in your input file).



On 05/01/16 12:05, Faruq, Muhammad wrote:

Dear Dr Aradi/All

I want to calculate the RDF from the MD output. Could you please let me
how can I do it. One more problem is that I am having a segmentation
fault. Please suggest me what to do.   Thanks in advanced.

Here are output and input file.


      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, benjamin.hourahine at strath.ac.uk

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