[Wien] sgroup

[Dongwen Zhang]

Dear Pro. Blaha,
    Thank you for your patience with the novice at exploring!
Regards,
                D.W.Zhang
                                  September 1,2003   

Peter Blaha <pblaha at zeus.theochem.tuwien.ac.at> wrote:
> I installed wien97 before and wien2k recently. When I tested wien2k by calculating one of the example case, TiC, over graphical interface w2kweb, the process was stuck in sgroup stage and told me the usage:'~/wien97/source/x sgroup'. Then I renamed the directorty wien97 to wien98 by 'mv wien97 wien98', and everything appeared smmoth.But why it happened? Can you tell me the key to it?

Check your PATH variable in .cshrc or .bashrc

The directory with the wien2k programs must be listed before wien97.

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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Dongwen Zhang
National Univ. of  defense Technology
Changsha City,410073
P.R.C.
Phone: +86-731-4576016
Email: zhangdongwen2000 at yahoo.com.cn  
 WWW:
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