Kusum Kumari

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Questions related from Kusum Kumari

Use of NUPDOWN tag in VASP?

I have a dimeric Copper system, where the two coppers exist as Cu(II) [d9]. However the system also has two radicals on it, which I am taking care of in my NELECT section of VASP along with...

10 May 2023 907 0 View

Regarding Density of States Plot for a MOF and fullerene system?

I and trying to get the Total density of states(TDOS) of a Fullerene@MOF system and projected density of states(PDOS) corresponding to the fragments i.e., MOF and fullerene in a single plot. I am...

02 April 2023 2,303 1 View