ABINIT Discussion Forums

Hello,
i am working on atoms that they can have two kind of charge.and as professor Jzwanzig said to me i can use cut3d to calculate charge of atom but i have an question.would you please tell me is there any variable to set in input file to get charge in my output file?
can i use prtden variable?
Thank you for your kindness.Best regards.
Mina

prtden will give you the density output file that you will need when you use cut3d or aim to evaluate charges on atoms. "charge on an atom" isn't really well-posed because it depends on how you define the region around an atom.