[Pw_forum] mixing of pseudopotentials
karthik.guda at gmail.com
Tue Aug 3 03:02:39 CEST 2010
I am doing calculations on NiTi and I am using the following two
Both are USPPs and are generated for the PBE flavor of DFT. But the Ni
pseudopotential description (quantum espresso website) says non-linear core
correction and the Ti pseudopotential does not. Can someone please suggest
if I am mixing these pseudopotentials in the right way?
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