[DFTB-Plus-User] NRL tight-binding parameters

[Bálint Aradi]

Dear William,

curerntly, you can not directly use NRL tight-binding parameters in 
DFTB+. As far as I can judge, it would only require moderate efforts to 
extend the code for offering the NRL tight-binding model, in case 
somebody would like to try it.

Best regards,

Bálint


On 10.02.24 17:55, William Shelton wrote:
> Can NRL tight-binding parameters be used in dftb+ version 23.1?  If so, is there documentation on how to format, etc.?
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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