Hi, I'm trying to test the PAW dataset of oxygen from atompaw website.
The ecut and pawecutdg of my input file is 20 and 80 Hartree, but I always get the following WARNINGs
" mkdenpos : WARNING -
Density went < 0 at 1459478 points
and was set to 1.00E-14. Lowest was -0.71E-05.
Likely due to too low boxcut or too low ecut for pseudopotential core charge."
Anyone has any good suggestions? Thanks very much!