Page 1 of 1

Problem about the softwares plops .

Posted: Mon Jun 07, 2010 1:37 am
by VASP001
5.17 PCDAT file
File PCDAT contains the pair correlation function (the data can be plotted with the program 'plops').

For dynamic simulations (IBRION>=0) an averaged pair correlation is written to the file (see sections 7.18, 7.28).

How could I get the softwares ?

Problem about the softwares plops .

Posted: Thu Jul 01, 2010 9:05 am
by admin
you can use any software to generate x-y plots (xmgrace, gnuplot,...)

Problem about the softwares plops .

Posted: Wed Nov 24, 2010 1:09 pm
by sorour
but there is no informations on the content of PCDAT in the VASP guides?!

<span class='smallblacktext'>[ Edited Wed Nov 24 2010, 02:58PM ]</span>

Problem about the softwares plops .

Posted: Fri Dec 10, 2010 1:47 pm
by sorour
Hello admin,
I used xmgrace and it worked very well, but this is the total pair distribution function, so how to get the partial pair distribution function if it is an alloy?
Please, I need your response

Problem about the softwares plops .

Posted: Tue Dec 14, 2010 10:36 am
by kirsten
Maybe this can help, I use it - with success:

http://rings-code.sourceforge.net/