[QE-users] Inconsistent total energy between different version
ttduyle at gmail.com
Thu Apr 19 20:32:20 CEST 2018
That would explain it. It was my bad that I did not see the note.
On Thu, Apr 19, 2018 at 1:38 PM, Kevin May <kmay at mit.edu> wrote:
> 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.
> Kevin May
> PhD Candidate
> Department of Mechanical Engineering
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