[Wien] (no subject)
Gavin Abo
gsabo at crimson.ua.edu
Tue Jul 7 18:33:02 CEST 2015
I have to assume that you are using the latest version of WIEN2k (14.2),
since the version you are using is not mentioned in your email. So it
should not be a problem. However, if you are using an older WIEN2k
version, there was bug that could remove some atoms when using
structeditor's makesurface:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10250.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08874.html
On 7/7/2015 2:45 AM, chin Sabsu wrote:
> Dear Prof. Oleg, Prof. Blaha, and Prof. Marks
> Thank you very much for your response.
> I have tried to terminate the surface layer by using octave program.
> But I could not found any fruitful result. I went through UG also.The
> available tools in UG are only limited to rotate, shift, merge, bla bla.
> Please help me to get the desired result. I am not getting the a
> perfect layer of atoms, the layer ends with a single atom just like to
> put an atom on a surface.
> I am a grade student and do not have much experience on this
> best
> Chin
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