[Wien] Geometry Optimization with EECE/HYBRD

[Shin-ichi NISHIMURA]

Dear Wien2k developers and users.

I have a question about geometry optimizations with EECE/HYBRD.
Are forces calculated with runeece correct?
I know force calculations with LDA+U are not correct.
But, I want to do structure optimization for localized systems.

with best regards.
Shin-ichi NISHIMURA

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Shin-ichi NISHIMURA

Graduate Student

Department of Electronic Chemistry
Interdisciplinary Graduate School
Tokyo Institute of Technology

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