[Wien] YBCO Struc. file

[Peter Blaha]

> Can you please help me with the struct. file of YBa2Cu3O7 (YBCO::1:2:3).
> I had been trying to generate it, but when I run  nn. it gives errors message.
> What should be the value of RMT in this case. My interest is to calculate band
> structure.

There's even an struct file in the  example_struct_files   directory!

                                      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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