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Tue Jul 10 14:20:16 CEST 2007


PP for Ti, and only two PBE and PW91 GGA PPs of Ba.

So, where I can download a GGA PP of Ti, or a LDA PP of Ba?

BTW, since the BaTiO3 sometimes is a tetragonal structure. What is the
difference between the choice ibrav=3D6 or ibrav=3D7?

Thank you very much.

Jian



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