spin multiplicity and charge of a molecule
Posted: Mon Jun 20, 2011 6:15 pm
Hi abinit users,
I am new to abinit , and would like to know how to specify the multiplicity and the charge of a molecule in the input file?
(As I want to treat it as a molecule;)
thank you very much.
I am new to abinit , and would like to know how to specify the multiplicity and the charge of a molecule in the input file?
(As I want to treat it as a molecule;)
thank you very much.