[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).
Regards
Ben
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.
Output:…………..
--
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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