[Pw_forum] About calculating Hubbard U of Zinc in ZnO

[Shujun Hu]

Dear Dr. Isaev,
Thanks for your reply. There is indeed an extra error after I have corrected the
set_hubbard_u.f90. It is just due to the insuffecient information about zinc in
the source file: tabd.f90. So I corrected such file also. It is done. I mean I
donnt know whether the correction metioned in my precious comment is right. Indeed
strong correlation is important for ZnO, especially in the case of nanocrystal.
Hubbard U can correct the overestimation of d-band energy in ZnO. I am
appreciative of your reply.

    Best wishes

                              Shujun Hu