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Recommended choice is in bold face:
For the 1st row elements three PAW versions exist.
For most purposes the standard versions should be used. They yield reliable results
for cutoffs between 325 and 400 eV, where 370-400 eV are required
to accurately predict vibrational properties, but binding
geometries and energy differences are well reproduced at 325 eV.
The typical bond length errors
for first row dimers (N, CO, O) are about 1% (compared
to more accurate DFT calculations, not experiment).
The hard pseudopotentials _h give results that are essentially identical
to the best DFT calculations presently available (FLAPW, or Gaussian
with huge basis sets).
The soft potentials are optimised to work around 250-280 eV. They
yield very reliable description for most oxides, such
as VO, TiO, CeO, but fail to describe some structural details
in zeolites (i.e. cell parameters, and volume).
For HF and hybrid tpye calculations, we strictly recommend
the use of the standard, standard GW, or of the hard potentials. For instance,
the potential can cause unacceptably large error even in
transition metal oxides, even though the potential works reliable at
the PBE level.
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