Dear developers,
Could anyone give me some introduction about the local pseudopotentials. I want to do orbital-free calculations, which need local pseudopotentials. But usually we use non-local pseudopotentials in DFT. Could we change the psp file by hand or change the source file to reach this goal? For example, for the psp of Fe: http://www.pseudo-dojo.org/pseudos/pbe_s_sr/Fe.psp8 , if there is some way to get a local psp.
With best wishes, and thanks in advance.
Jiayu
Dept. Phys.
National University of Defense Technology
how to generate local pseudopotentials?
how to generate local pseudopotentials?
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Jiayu Dai
Associate Professor,
Department of Physics,
National University of Defense Technology
Changsha, 410073, P. R. China
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Jiayu Dai
Associate Professor,
Department of Physics,
National University of Defense Technology
Changsha, 410073, P. R. China
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