[Pw_forum] Choice of Pseudopotential

[Elham]

Dear sapna and Rui

I have a  question about this topic.

I confused about choice of pseudo potential for system about this atoms
(C,N,O,Fe)

C  12.0107     C.pbe-van_ak.UPF
Fe 55.8450     Fe.pbe-sp-van_ak.UPF
N  14.0067     N.pbe-van_ak.UPF

Ecut optimum:   ecutwfc   = 58.0,  ecutrho   = 580.0,

C  12.0107     C.pbe-n-rrkjus_psl.0.1.UPF
Fe 55.8450     Fe.pbe-nd-rrkjus.UPF
N  14.0067     N.pbe-n-rrkjus_psl.0.1.UPF

Ecut optimum:   ecutwfc   = 40.0,  ecutrho   = 400.0,

Should all atoms have the same  pseudo potential?
I would like choice PBE-GGA   pseudo potential. What other parameter for
choice best pseudo potential is needed?

Best Regards
Elham Ashori
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