[Pw_forum] Pair correlation function

Bertrand SITAMTZE siyouber at yahoo.fr
Tue Nov 3 14:25:07 CET 2009


Dear all,

I posted a message on how to get pair correlation functions from QE outputs.  I got some solutions but until now the problem is not solved. I search the web and got some fortran code, but none of them is able to do it(may be because I am not quite an expert).
Please could somebody help me with a code to extract the pair correlation functions?

Another problem is how to visualize the trajectory of a dynamic from CP.x with Xcrysden?

Thanks very much for your help


********************************
Bertrand SITAMTZE YOUMBI
Laboratory of Material Sciences
Department of Physics
University of Yaoundé I-Cameroon
PO Box 812 Yaoundé
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