[QE-users] Inconsistent total energy between different version

Kevin May kmay at mit.edu
Thu Apr 19 19:38:38 CEST 2018


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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