https://doi.org/10.1103/PhysRevB.105.195138 No forces at the moment and probably not easy to have them.
On 29.06.2022 22:14, Laurence Marks wrote:
I am ever hopeful! While the energy is useful, really want to have it be self-consistent with forces. -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu [1] "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi Links: ------ [1] http://www.numis.northwestern.edu _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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