[QE-users] Different SCF energy when # of MPI is changed

[Takahiro Chiba]

Hi all,

It does not always happen. For example, no discrepancy was found with
the "ausurf" benchmark. Therefore, I expect there is something wrong
with my input rather than compile/install issues.



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Takahiro Chiba
Grad. school of chem. sci. and eng., Hokkaido Univ.
Group:   https://www.cat.hokudai.ac.jp/hasegawa/HOME.html
Mail:      takahiro_chiba at eis.hokudai.ac.jp