How to contribute a pseudopotential to the database? |
- Date: 2024/10/30 00:01
- Name: Malone
- Dear OpenMX maintainers,
I wonder if there is a possibility for a foreign contributor to aid filling the pseudopotential database. If it is present, what is the list of requirements which should be satisfied in order to submit a pseudopotential?
I assume that the constructed input files should be accompanied by a note where the pseudopotential properties (e.g., logarithmic derivatives) should be presented to demonstate the assumed quality before you perform additional testing.
I am currently talking about core level XPS database, however, some entries are missing in the regular database as well (4f elements).
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Kind regards
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