Conduction band charge density calculation

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rksb_physics
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Conduction band charge density calculation

#1 Post by rksb_physics » Thu Jan 01, 2015 12:27 pm

Dear Vasp users,


I am trying to calculate charge density for conduction band using VASP.

I would like to know if VASP can calculate conduction charge density.

Thanks in advance.

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Re: Conduction band charge density calculation

#2 Post by admin » Fri Jan 09, 2015 1:12 pm

Please have a look at the manual, chapter 'band decomposed charge density' and choose the LPARD=.True' (and all other parameters
appropriate to select the states such that the states you want to show are included in your density plot).
The charge density of the conduction band can be calculated using
1/ specified band numbers (IBAND)
2/ specified band energies (EINT)

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