[Wien] TO:Wu how to change the occuption number

[kongshi]

Dear Wu:

     Thank you for your reply!

     I have found the occupation number of x2-y2, 3z2-r2. I want to know how
to change it manual then continue SCF calculation.

     I also have lowered the symmetry to Primitive type lattice.

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20051201/aaadc9ff/attachment.html