.xyz file to .con file

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
Leny

.xyz file to .con file

#1 Post by Leny » Wed May 16, 2012 4:50 pm

Hello vasp users,
Is it possible to change file.xyz to file.con or to file ? any script that we can change it with?

Cheers,
Last edited by Leny on Wed May 16, 2012 4:50 pm, edited 1 time in total.

Leny

.xyz file to .con file

#2 Post by Leny » Wed May 16, 2012 5:27 pm

any script or any way to convert POSCAR.xyz to POSCAR.con or to POSCAR?
any help will be appriciated.
Last edited by Leny on Wed May 16, 2012 5:27 pm, edited 1 time in total.

graeme
Jr. Member
Jr. Member
Posts: 54
Joined: Sat Jul 02, 2005 6:11 am
Location: Austin, TX
Contact:

.xyz file to .con file

#3 Post by graeme » Wed May 16, 2012 6:00 pm

The problem is that xyz files do not contain the cell information, so a script can not convert this way.
Last edited by graeme on Wed May 16, 2012 6:00 pm, edited 1 time in total.

Leny

.xyz file to .con file

#4 Post by Leny » Wed May 16, 2012 6:24 pm

Thank you, you are right there is not any information about the cell.

regards
Last edited by Leny on Wed May 16, 2012 6:24 pm, edited 1 time in total.

Post Reply