GW corrections for anti-ferromagnetic materials

GW, Bethe-Salpeter …

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lucamontana
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GW corrections for anti-ferromagnetic materials

Post by lucamontana » Wed Mar 16, 2016 5:39 am

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 ?

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gmatteo
Posts: 291
Joined: Sun Aug 16, 2009 5:40 pm

Re: GW corrections for anti-ferromagnetic materials

Post by gmatteo » Tue Apr 05, 2016 12:13 pm

Use nsppol=2 and nspden = 2 everywhere.
The WFK file must be regenerated with these input variables.
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