[Pw_forum] Problem with Hubbard U correction on Zn

[Tan Hengxin]

Dear All,

When I perform Hubbard U correction for Zn in ZnO, the run crashes. The
error message says "from offset_atom_wfc : error #         1     wrong
offset". I searched the forum, finding that this may because the Zn psp was
generated with zero d-orbital occupation. But obviously this should bot be
the case for Zn psp, since it's not reasonable to remove all the 10 d
electrons in any Zn psp generation. So in my Zn psp, the d orbital is of
course occupied. But it still crashes.

Could someone give me some ideas on this? Any suggestions will be highly
appreciated.
My psps are from the sg15_ONCV and attached below. The input file is also
attached.

Regards,
Hengxin
THU
-- 

Tan Hengxin
Department of physics, THU.
Beijing 100084, China
Office: B403,New Science Building
E-mail:t <E-mail%3Athx13 at mails.tsinghua.edu.cn>anhx90 at gmail.com
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