Dear experts, I have calculated the bandstructure of a 2d periodic system using PWscf and siesta. the overall pictures of bandstructure are same however there are some differences between them.
The bandstructure calculated by vasp ( with planwave basis) is also similar to PWscf bandstructure. And it shows that the difference is due to the atomic like basis set of siesta. Now my question is that which bandstructures are more reliable? I guess that as the structure is periodic the planewave should give a better simulation; is it right? Best regards, Zahra
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