problem about local pseudopotential
Posted: Fri Jun 22, 2007 10:44 pm
Dear all,
How can I get the local pseudopotential (in real space) from POTCAR. In the POTCAR file, the local part is saved as in reciprocal space. I tried to get the potential in real space using Fourier transform, maybe the data supplied by POTCAR is not enough to perform integral in reciprocal space.
How can I get the local pseudopotential (in real space) from POTCAR. In the POTCAR file, the local part is saved as in reciprocal space. I tried to get the potential in real space using Fourier transform, maybe the data supplied by POTCAR is not enough to perform integral in reciprocal space.