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

[Hua Wu]

When you do orbital-polarized calculations like LDA+U,
You can deal with the density matrix *dmatup/dn
for that purpose. --H. Wu
On Thursday 01 December 2005 15:56, kongshi wrote:
> 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.