Scissor operator

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kefren
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Scissor operator

#1 Post by kefren » Fri Mar 10, 2006 4:32 pm

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
Last edited by kefren on Fri Mar 10, 2006 4:32 pm, edited 1 time in total.
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admin
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Scissor operator

#2 Post by admin » Mon Mar 20, 2006 1:02 pm

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
Last edited by admin on Mon Mar 20, 2006 1:02 pm, edited 1 time in total.
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