[SIESTA-L] Should spin-polarized calculations be done for DFT investigations of a slab?

Sun, 10 Jun 2018 13:02:38 -0700 

Dear Siesta users,


I am trying to model a slab using Siesta code. I think that spin-polarized
calculations should be done due to dangling bonds on the slab surface. Is
it correct?

Your comments will be highly appreciated.

Best regards,

Nadia

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