[Wien] Steps to perform volume optimization of orthorhombic structure
AJAY SINGH VERMA
ajay_phy at hotmail.com
Thu Sep 30 10:26:22 CEST 2021
Dear Wien2k Users,
I am performing volume optimization of orthorhombic structure. There are three steps to perform optimization: 1. b/a optimization 2. c/a optimization 3. volume optimization.
I performed b/a optimization keeping c/a and volume constant. Now what is the next steps for c/a optimization and volume optimization.
Thanks,
Ajay
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20210930/24ace9ef/attachment.htm>
More information about the Wien
mailing list