The question about the calculation procedure of deformation potential?

AMSET
1

Hello ,Alex

In general, a relaxation of ISIF=2 is required after the POSCARs are generated to calculate the deformation potential. However, this method does not mention whether the relaxation of ISIF=2 is required before static self-consistency.Is there a structural relaxation to be added before NSW =0.

Best wish

2

Hello!
I have the same question: do we need to relax atomic positions after deformation in order to obtain deformation potentials in AMSET? It is usually done in elastic constants calculations.
Did you settle this question?