 Re: formation energy ( No.1 ) |
- Date: 2022/12/11 22:20
- Name: T. Ozaki
- Hi,
The formation energy is defined by a difference of the total energies between the system of interest and reference systems,
where the reference systems can be chosen either isolated atoms, some elemental systems, or some certain simple systems.
A similar discussion is found at https://www.openmx-square.org/forum/patio.cgi?mode=view&no=2987
Regards,
TO
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formation energy