Hi,
I am new to Avogadro and I am looking at a way to get the electric field
gradient tensor at a given nuclei site in a molecule. I cannot find a
way to do that from the docs, can Avogadro do this?
Regards,
Lionel
Hi,
I am new to Avogadro and I am looking at a way to get the electric field
gradient tensor at a given nuclei site in a molecule. I cannot find a
way to do that from the docs, can Avogadro do this?
Regards,
Lionel