Better ways to get back my optimized cell and structure
Henrique Junior
henri... at gmail.com
Wed Jul 18 11:21:11 UTC 2018
This is probably a silly question. I’m running a CELL_OPT and at the end of
my calculation I’m trying to open the resulting .xyz in VESTA and manually
entering the cell parameters but doing this is generating a messy result.
What is the best way to get my optimized call and structure so I can work
on them?
Thanks in advance.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180718/013ae226/attachment.htm>
More information about the CP2K-user
mailing list