[Pw_forum] If one atom is heavy, another is lighter, what type of pseudo potentials should be used ?

[Jagdish verma]

Dear Users,

I am working on a material in which there are two types of atoms. One of
them is  heavy mass atom and another atom is having light mass. I am using
Norm-Conserving pseudo potentials for both of them.
Now, I want to incorporate spin-orbit coupling in my calculations since one
of the atom is of heavy mass.
*1)* Do I need full relativistic norm conserving pseudo potentials for both
type of atoms for heavy as well as light atom?
*2)* Or should I use full relativistic norm-conserving psp for heavy atom
and continue to use scalar relativistic norm-conserving psp for light atom
? Is code going to complain about it ?
Can choosing *2nd* way may lead to impropriety in the results ?
I would be happy if I could get your valuable suggestions.

With best regards,
Jagdish Verma
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