Is it possible to simulate a mixture comprised of oxides and alkali halides?
[A] The “Oxide” library only contains parameters for oxides. It does not include parameters for alkali halides. However, the “Kawamura1” library is available for systems comprised of oxide and alkali halide mixtures, but FUJITSU cannot ensure the accuracy and precision of these simulation. You should use “Kawamura1” library for systems comprised of alkali halide mixtures, only after carrying out prelimary tests to verify that the potential recovers to the desired level of accuracy the physical properties that are the subject of your investigation.
