[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:…………..

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