[Pw_forum] what atoms are counted by ntype

Paolo Giannozzi giannozz at nest.sns.it
Tue Nov 4 22:50:19 CET 2003


On Friday 31 October 2003 17:25, Michele Lazzeri wrote:

> You can decide to describe two crystallographically
> equivalent atoms with two different pseudopotentials.
> In this case the code will not recognize the two atoms as equivalent.

just a remark: it is perfectly acceptable to use the same pseudopotential
for different types of atoms. This is what is typically done in magnetic
systems.

Paolo





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