Thanks for the help!
-John
On 15-12-11 03:53 AM, t...@theochem.tuwien.ac.at wrote:
Just to add that the attached files are for AFM.
On Fri, 11 Dec 2015, t...@theochem.tuwien.ac.at wrote:
With strongly correlated solids, it is usually possible to
stabilize several electronic configurations. F
Just to add that the attached files are for AFM.
On Fri, 11 Dec 2015, t...@theochem.tuwien.ac.at wrote:
With strongly correlated solids, it is usually possible to
stabilize several electronic configurations. For FeO, if
you start a mBJ or LDA+U calculation from the PBE density,
then a metallic
With strongly correlated solids, it is usually possible to
stabilize several electronic configurations. For FeO, if
you start a mBJ or LDA+U calculation from the PBE density,
then a metallic state is obtained. The state with a gap, which
is more stable, can be obtained by running first a constrain
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