Dear All, I calculated band structures of hybrid perovskite CH3NH3PbI3. I chose non-relativistic pseudopotentials for H, C, N elements, and scalar-relativistic pseudopotentials for Pb and I elements. In this case, which value of noncolin should I set, noncolin =.false or noncolin =.true?
If I choose scalar-relativistic pseudopotentials, does this mean nonlinear calculation will be included automatically? Best wishes, MC
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