[Wien] simple question about kgen

[Peter Blaha]

>         Maybe this is a simple question for you. I'm dealing with a system without inversion symmetry, from the userguide I know I should add inversion, but I have no idea what is the difference when you add the inversion or not, and how much it influence the calculation? one more question is should the k-mesh be shifted?

I have just written a "faq" to this point. Please look at:

          www.wien2k.at/reg_user/faq

                                      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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