[QE-users] Re-use of charge density don't give exactely the same result in scf

[Paolo Giannozzi]

On Mon, Apr 8, 2019 at 9:41 AM JAY Antoine <Antoine.JAY at isae-supaero.fr>
wrote:

I suppose that this phenomenon is due to the accuracy (number of digits and
> number of points) used to saved the electronic density and the wfcs.
>

no, it's not: the charge density and Kohn-Sham orbitals are saved to file
with full precision

Paolo
-
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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