13 April 2020 2 5K Report

I changed some of the Sn atoms' composition to 50%Sn and 50%Sb in the Co2TiSn system. I checked spin-polarized and use formal spin as initial to calculate the ferromagnetic system. However, the software told me that

Cannot run CASTEP for the given scope(disordered crystal).

The following features are not supplied:

Use of formal spin

How can I avoid this error?

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