[molpro-user] FREEZE does not delete some external orbitals?

Wei Haiyan weihy at hpsv.pku.edu.cn
Tue Aug 17 17:04:06 BST 2004


hello all:

I want to do a MCSCF calulation, and i am confused with the FREEZE 
keyword in the MCSCF calculation section of manual.

I want to delete some external orbitals, that also is the vitual 
orbitals, while in my try it seems that the freeze keyword does not 
delete the external orbitals, what shoud i do to delete some external 
orbitals?

            

Sincerely yours;
                          
----
Name: HaiYan wei. 
Peking Unversity, China.
Tel : 8610-62765703 
email: weihy at hpsv.pku.edu.cn



More information about the Molpro-user mailing list