[Pw_forum] Anatase lattice parameters testing results

[Paolo Giannozzi]

On Jul 6, 2008, at 20:58 , vega lew wrote:

> But it is especially strange that the total energy was -730.11745 Ry,
> rather different than the PWscf's results.


absolute energies depend on the pseudopotential used
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222