Need Help
Dear sir,
I met a problem in calculating systems containing metal Rh.
When Lanl2dz basis set is used with B3LYP method, a line
No unpruned grid is available for this atom will appear in
the output file, when HF method is used , this information
will not be printed in the output file. Could you tell me what
the line No unpruned grid is available for this atom means
and whether the B3LYP method is proper for the metal Rh.
By the way, could you tell me at which level and which method
the geometries optimized are good for Rh when time cost is
as little as possible. My e-mail address is yfzhai[ AT ]iris3.shmm.ac.cn
Thank you in advance.
Yous sincerely
Yufeng Zhai