[QE-users] The relationship between bands and nscf.

[Hongyi Zhao]

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 <hongyi.zhao at gmail.com>