Dear SIESTA users,
I did the calculation with pseudo potential which transformed from
Abinit PP (FHI database). But it seems that this transformation
changed the exchange-correlation functional. For example, in Siesta's
PP, the XC is Ceperley-Alder (in the output file, it says the XC is CA),
but in Abinit's PP
(http://www.abinit.org/downloads/psp-links/psp-links/lda_fhi), the XC is
Perdew-Wang 92.
I need to the same PP in Siesta and Abinit calculation (my system is
MgO). So is there tool to transform psf PP back to Abinit PP, or
transform Abinit PP to psf PP but keeping the same XC?
Thanks.
Jiawang
