EPW Forum

Dear sir,
In some codes like ELK, while calculating superconducting transition temperature, by supercell method , hundered of dynamic matrices are formed e.g in case of a AB3 material [with 4 atoms in unit cell ] 120 dynamic matrices were formed.

does similar number of dynamical matrices are formed while calculating in EPW CODE. or Is it just specific to supercell method and not for DFPT.

top gun

Dear topgun,

It depend.
In the case of QE/EPW, the number of dynamical matrices depend on your q-point grid. The denser the q-point grid the more dynamical matrices you will have.

Best wishes,
Samuel

thanks for the reply

top gun