[Wien] Re How to fix the atoms of slab during mini

[Peter Blaha]

PS: Unfortunately, the mailing list did not work for the last 10 days or so.



That is pretty easy! Just read the input section of the mini program in the UG.
Putting 0 in the corresponding x,y,z, coordinates should not move this atom.

-- 
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
                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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