Using con2xyz.pl

[biliu]

Hi,

I want to convert my CONTCAR file into xyz format using con2xyz.pl, so I made a copy of CONTCAR and called it 'ni111.con', then I used the command

con2xyz.pl ni111.con

What I got is:

writing to ni111.xyz
Total: 0

and a ni111.xyz file which does not contain the xyz coordinates.
Am I using this con2xyz.pl script correctly? Thanks a lot. I appreciate your help.

[andri]

Because of historical reasons you first need to run vasp2con.pl (as vasp2con.pl CONTCAR) which will generate a CONTCAR.con file. Then use con2xyz.pl on the new .con file.

[biliu]

It worked. Thank you, that's very helpful.