Describe the bug
When using ZORA in combination with bq elements, the code failed to input the appropriate model potential and prints the following warning, instead:
modelpotential warning: no entry found for atom
To Reproduce
Attach all the input files required to run.
geometry
He 0 0 0
bqHe 0 0 2
end
basis
library def2-svp
bqHe library He def2-svp
end
relativistic
zora on
modelpotential 2
end
task dft
**Expected behavior**
The code should fetch the modelpotential (in case case above, the `He` model potential should be fetched for the `bqHe` atom)
Describe the bug When using ZORA in combination with bq elements, the code failed to input the appropriate model potential and prints the following warning, instead:
modelpotential warning: no entry found for atom
To Reproduce
basis
relativistic zora on modelpotential 2 end
task dft