[Pw_forum] charge density
kirtinandan07 at gmail.com
Mon May 9 07:15:27 CEST 2011
I am studying the effect of alloying on a supercell with 40 atoms. I am
replacing one Ni with different alloying elements. To get the charge density
should i relax the system and the perform the scf or simple scf will give
the effect of alloying.
Thanks in advance.
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