problem about local pseudopotential

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Xu

problem about local pseudopotential

#1 Post by Xu » 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.
Last edited by Xu on Fri Jun 22, 2007 10:44 pm, edited 1 time in total.

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