Dear VASP users and developers,
I am trying to calculate (and plot) charge density within a certain energy range around the Fermi level. CHG (or CHGCAR) contains a total charge which is not what I need.
Is there a way to calculate charge density within a given energy range i.e., E_F-0.5 ev < E < E_F?
Thanks,
Charge density in a certain energy range
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jhlee
Charge density in a certain energy range
Last edited by jhlee on Sat Nov 24, 2007 11:00 pm, edited 1 time in total.
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Charge density in a certain energy range
please have a look at the manual, chapter "Band decomposed chargedensity " for the parameters you have to set, and how to choose appropriate values: LPARD IBAND,EINT, NBMOD KPUSE, LSEPB
Last edited by admin on Mon Nov 26, 2007 10:38 am, edited 1 time in total.