[Pw_forum] mixing of pseudopotentials

[Guda Karthik]

Hi,

     I am doing calculations on NiTi and I am using the following two
pseudopotentials:

     Ti.pbe-sp-van_ak.UPF
     Ni.pbe-nd-rrkjus.UPF

     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?


regards,
Karthik Guda
Graduate Student
Materials Engineering
Purdue University
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