[Wien] How to fix the position of atoms in the slab

Donghui Guo donghuig at gmail.com
Wed Jun 24 03:10:48 CEST 2009


Dear Wien2k users,

I am calculating a slab to simulated the surface. I want to relax the slab
with fixing the inner layer.
I searched the mailing list but didn't figure out how to do it technically.
Thank you in advanced.

Best regards,

D.H. Guo
Hokkaido University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090624/69315781/attachment.htm>


More information about the Wien mailing list