Dear Users,
I have been doing DFT calculations on a GaAssupercell with a substitutional
Mn.I
would like to find the acceptor(and Doner) energy of Mn atom however, I could
not figure out how to do the DOS and PDOS calculations with an extra electron
on
(or an electron removed from) the Mn atom. Plz some one guide me for this.
Thanking you all
Nand Rana
(Research Scholar)
Ranchi University
India
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