[QE-users] Inconsistent total energy between different version

Duy Le ttduyle at gmail.com
Thu Apr 19 20:32:20 CEST 2018

Thank Kevin,

That would explain it. It was my bad that I did not see the note.


Duy Le

On Thu, Apr 19, 2018 at 1:38 PM, Kevin May <kmay at mit.edu> wrote:

> Hi,
> In the release notes for 6.2 it says:
> * Some constants in the definition of PBE functionals were truncated to
>     6 significant digits. While not a bug, this could lead to tiny differences
>     with respect to previous results and other XC implementations (r13592)
> I would guess this explains it.
> Best
> Kevin May
> PhD Candidate
> Department of Mechanical Engineering
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