ABINIT Discussion Forums

hello,
object:pseudopotential for oxygen atom
im a new user of ABINIT and i have difficult in what kind of pseudopotential can i choice to solve the problem .so can you help me please.
think you
best regard

the abinit website provides a variety of oxygen pseudopotentials and PAW atomic datasets. All of them should be at least satisfactory for an oxygen atom. Because it's an open shell system you should worry more about properly setting the occupation number variables and spin degrees of freedom.

thank you sir for your advices .it really helps me