[Wien] case.struct

[Peter Blaha]

> This would be a good idea to have on the Wien2k web page. A nice
> collection of different structures that people have performed calculations
> on. This could be seperated into simple optimised bulk unit cells and more
> complex supercells and slabs. Nice if people want to perform similar
> calculations or variations on an already investigated system.

Two comments:
a) There is a directory with "example_struct_files", which comes with WIEN2k.
I admit, however, that
it is not well documented and thus nobody looks at it.
Furthermore it just lists the struct file, without any comments, results,...

b) In principle I think this is a good idea. If people send me a
tar file (with struct files and anything else they want to put on the web)
README file  with email address and brief description of this case (+reference)

I'll put this on the WIEN2k homepage.

However, the latter makes sense only if enough users would be willing to
contribute.

                                      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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