modified Becke-Jphnson meta-GGA

Problems running VASP: crashes, internal errors, "wrong" results.


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hyllios
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modified Becke-Jphnson meta-GGA

#1 Post by hyllios » Wed Dec 01, 2010 1:53 pm

I have been trying to perform a calculation using the modified Becke-Johnson meta-GGA by Tran and Blaha with the new vasp 5.2.11 (METAGGA = MBJ). However, I wonder if the "c" parameter of the MBJ is ever calculated in vasp. I understood that one can set it in the INCAR using CMBJ, but is there a way of having it calculated on the fly by the code? From a fast grep for 1.023 (a numerical parameter in the calculation of c) and my inspection of the code, I could not find it...

Miguel Marques
Last edited by hyllios on Wed Dec 01, 2010 1:53 pm, edited 1 time in total.

support_vasp
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Re: modified Becke-Jphnson meta-GGA

#2 Post by support_vasp » Tue Sep 10, 2024 2:07 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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