Incorrect Ru_sv potential in 5.4 PAW_PBE

[MBaeker]

I am using the PAW_PBE potentials from VASP version 5.4.
I just noticed, that there seems to be something wrong with the Ru_sv potential because the potential in the PAW_PBE directory is called PAW_GGA Ru_sv
Possibly, it affects only the name and the potential itself is fine.

Here are the first lines from the potential file:
PAW_GGA Ru_sv 28Jan2005
16.0000000000000
parameters from PSCTR are:
VRHFIN =Ru: 4p5s4d
LEXCH = PE
EATOM = 2594.4689 eV, 190.6881 Ry

TITEL = PAW_GGA Ru_sv 28Jan2005
LULTRA = F use ultrasoft PP ?
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 2.170 partial core radius
POMASS = 101.070; ZVAL = 16.000 mass and valenz
RCORE = 2.150 outmost cutoff radius
RWIGS = 2.200; RWIGS = 1.164 wigner-seitz radius (au A)
ENMAX = 318.855; ENMIN = 239.141 eV
ICORE = 3 local potential
LCOR = T correct aug charges
LPAW = T paw PP

[fabien_tran1]

Hi,

Indeed, the Ru_sv POTCAR is the only one with "PAW_GGA" instead of "PAW_PBE". However, this error concerns the old potpaw_LDA_PBE_52_54_orig.tar.gz, while this is correct in the more recent potpaw_PBE.54.tar.gz.

[MBaeker]

Hi,
thanks, but I am still a bit confused.
In my VASP 5.4 installation (from around 2018, I think), I have the following potential directories for PBE:
potpaw_pbe
potpaw_pbe.5.2
potpaw_pbe.5.4

All of these seem to have GGA for Ru_sv
potpaw_pbe.5.2/Ru_sv/POTCAR: PAW_GGA Ru_sv 28Jan2005
potpaw_pbe.5.4/Ru_sv/POTCAR: PAW_GGA Ru_sv 28Jan2005
potpaw_pbe/Ru_sv/POTCAR: PAW_GGA Ru_sv 28Jan2005

So are there different versions of the 5.4 potentials?

And are these actually GGA potentials or is it just the name that is wrong?
(The pot in the pbe directory at least has LEXCH=PE, whereas al the GGA pots have LEXCH=91).
So should I be worried that my results containing Ru are incorrect?

[fabien_tran1]

Sorry, I should have given more details. The Ru_sv POTCAR that you are using is ok. The only differences with respect to the newer one concerns the name ("PAW_PBE Ru_sv 28Jan2005" in the newer POTCAR) and a few (unimportant) lines that were added in the header. The rest is identical. So, using the newer POTCAR would lead to no change in the results.

[MBaeker]

Thanks, big sigh of relief here.