Is it implemented tight binding in VASP?. Someone told me to use tight binding in VASP, but I cant find anything. is there an additional package in VASP to use tight binding?. Which code should I use for tight binding?
Thanks
tight binding in VASP
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Juan Pedro
tight binding in VASP
Last edited by Juan Pedro on Mon Jun 25, 2012 6:48 pm, edited 1 time in total.
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maartendft
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tight binding in VASP
Look for LMTO-ASA code or the FP-LMTO code from the Andersen-group in Stuttgart.
Last edited by maartendft on Tue Jul 03, 2012 12:12 am, edited 1 time in total.
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vistawanted
tight binding in VASP
Tight binding is so-called "semi-emperical" method, I do not think VASP, and also other first-principles codes, implemented it, except LmtART, which is based on FP-LMTO method.
Or, you can try to apply the code DFTB+ for tight binding calculations.
Or, you can try to apply the code DFTB+ for tight binding calculations.
Last edited by vistawanted on Sun Jul 08, 2012 5:41 pm, edited 1 time in total.