how to generate local pseudopotentials?

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

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jiayudai
Posts: 3
Joined: Wed Dec 07, 2016 7:08 pm

how to generate local pseudopotentials?

Post by jiayudai » Thu Jun 15, 2017 5:09 pm

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
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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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