As stated before, if you do not set the "orbitals keyword" it will do the total density, i.e. all occupied orbitals.
Bert
Quote:Himadride Dec 4th 9:29 pmThank you so much for your reply. I can print the orbitals with "ORBITALS; <NO. OF ORBITALS> ; <ORBITAL 1 2 ....>. But I can not visualize them in molden when I generate the cube file through directive "gaussian" and output "mo.cube". Also my system has 900 orbitals. Can you please suggest how can I print all of them without putting like 1 2 3 ...900 in the input and further visualize them. Thanks in advance. |