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GW corrections for anti-ferromagnetic materials

Posted: Wed Mar 16, 2016 5:39 am
by lucamontana
Dear all,

I am trying to calculate GW corrections for an anti-ferromagnetic material, but obtain :

Code: Select all

--- !ERROR
message: |
    Shubnikov type III not implemented
src_file: m_chi0.F90
src_line: 1245
...


Is there any way to circumvent Shubnikov ?

Bests
L.

Re: GW corrections for anti-ferromagnetic materials

Posted: Tue Apr 05, 2016 12:13 pm
by gmatteo
Use nsppol=2 and nspden = 2 everywhere.
The WFK file must be regenerated with these input variables.