Hi,
A dos calculation needs a previous nscf calculation, but this is not
the necessity for bands calculation.
So, my question is if I want to obtain band structure and dos of my
system, I can have the following two paths:
1. Path one:
(vc-)relax | scf --> bands
|___> nscf ( with denser k-points grid ) --> dos
1. Path two:
(vc-)relax | scf --> nscf ( with denser k-points grid ) --> bands
|____> dos
What's the differences between them and which path is preferable?
Best regards
--
Hongyi Zhao <[email protected]>
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