> Dear users; > How to use 2 different basis for the same element? such as use both > DZP and SZP for different O atoms in CO2. Thank you.
Declare them as different species and assign to them different labels (O1, O2)
> Dear users; > How to use 2 different basis for the same element? such as use both > DZP and SZP for different O atoms in CO2. Thank you.
Declare them as different species and assign to them different labels (O1, O2)