Problem about the softwares plops .

Message

VASP001 · #1 Post by **VASP001** » Mon Jun 07, 2010 1:37 am

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 ?

#2 Post by **admin** » Thu Jul 01, 2010 9:05 am

you can use any software to generate x-y plots (xmgrace, gnuplot,...)

sorour · #3 Post by **sorour** » Wed Nov 24, 2010 1:09 pm

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>

sorour · #4 Post by **sorour** » Fri Dec 10, 2010 1:47 pm

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

kirsten · #5 Post by **kirsten** » Tue Dec 14, 2010 10:36 am

Maybe this can help, I use it - with success:

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