[Wien] Help for hcp cobalt atomic position

[Peter Blaha]

> I am a new one in this field and using wien2k-04. I
> tried to do some test example such as hcp Cobalt. I
> put H type lattice with two atoms at (0,0,0) and
> (2/3,1/3,1/2). am I right? but I obtain very small
> magnetic moment less than 0.2Bohr magnetron. Any one
> can help me out? Thanks ahead!

In hcp structure the two atoms are at

(1/3,2/3,1/4) and (2/3,1/3,3/4)

                                      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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