[Pw_forum] GGA+U for Germanium, Tin and Silicon

DHIRENDRA VAIDYA dhirendra22121987 at gmail.com
Wed May 20 20:02:31 CEST 2015


Hi all

I am trying to use GGA+U in PWSCF. A similar approach as mentioned in
http://dx.doi.org/10.1063/1.3625939

Ge, Sn and Si are not listed in flib/set_hubbard_l.f90 and src/tabd.f90.
Can anyone suggest the 'hubbard_l' value to be set in set_hubbard_l.f90 and
'hubbard_occ' in tabd.f90 for Ge, Sn and Si?

Thanks
--
Dhirendra
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