[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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