Dear VASP support team,
I have read VASP manual and I did not find any mention of a tag in order to make a scissor operator or rigid shift to the band gap.
Is there in VASP any implementation of this shift mentioned above or similar?
Thank you in advance.
Kefren Sanchez
Scissor operator
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kefren
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Scissor operator
Last edited by kefren on Fri Mar 10, 2006 4:32 pm, edited 1 time in total.
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Scissor operator
there is nothing like a 'scissors operator' (like eg defined by Fritsche et al) in VASP. For some systems with strongly correlated electrons, L(S)DA+U can be applied to increase the band gap width.
please have a look at
http://cms.mpi.univie.ac.at/vasp/vasp/node146.html
please have a look at
http://cms.mpi.univie.ac.at/vasp/vasp/node146.html
Last edited by admin on Mon Mar 20, 2006 1:02 pm, edited 1 time in total.