UT theoretical chemistry code forum

Dear Folks,

I am a very new VASP user, and found your scripts on the webpage, and trying to use in NERSC. (http://www.nersc.gov/)

What i did was.

1) I downloaded the entire package 'vtstscripts.tar.gz'

2) unzipped

3) copied the file con2xyz.pl to the directory where i want to change my Contcar to xyz format that could be read by material studio.

4) Gave the command as follows

(a) con2xyz.pl CONTCAR > mkpl.xyz
It says that 'writing to CONTCAR' Total: 0 mkpl.xyz lines 1-2/2 (END)'
But, my contcar file is corrupted saying that '0 Generated with con2xyz'

(b) con2xyz.pl > mkpl.xyz (No lines in the new file)

Please do let me know, where i am going wrong.

Look forward hearing from you.

Best regards,
Muthu

Here's a couple comments:

First, keep the scripts together. Just have the vtstscripts directory in your path. They sometimes call each other and look specifically in the directory from where they were called.

Second, the con2xyz.pl is not actually for the contcar format. For converting a CONTCAR (same as a POSCAR) to an xyz file, use:

vasp2con.pl CONTCAR
con2xyz.pl CONTCAR.con

You should then have a CONTCAR.xyz file.