scissors operator?
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linglin
scissors operator?
I'm wondering can VASP plus the scissors operator to modify band gap?
Last edited by linglin on Tue Dec 23, 2008 12:37 pm, edited 1 time in total.
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admin
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scissors operator?
no, there is nothing like a scissors operator in vasp.4.6, but you can use the LDA+U (or, if you use GGA-PPs, GGA+U) method if your band gap is too small because correlation is underestimated (for strongly correlated systems, eg).
Last edited by admin on Thu Jan 08, 2009 1:27 pm, edited 1 time in total.