On Tue, Jan 14, 2020 at 9:44 PM Matthew Marcus <mamar...@lbl.gov> wrote:
> Is there interesting physics behind the oscillation? unlikely. This kind of oscillation - that should not happen - typically indicates that there is some mismatch in the calculation of energy and stresses. It may also be related to the usage of sophisticated smearing functions, if you are using smearing. Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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