[Wien] LDA+U forces

Leonardo Pisani pisani at itp.uni-frankfurt.de
Tue Sep 28 13:24:03 CEST 2004


Dear Wien users,

concerning   LDA+U,  are  forces calculated independently from total energy 
values and therefore following the procedure of Kohler et al. implemented for 
LDA or GGA??

Thank you very much.

Best Regards,
Leonardo Pisani.




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