Spectral function obtained within the DMFT

Total energy, geometry optimization, DFT+U, spin....

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Steve
Posts: 22
Joined: Tue Feb 08, 2011 8:48 pm

Spectral function obtained within the DMFT

Post by Steve » Thu Apr 27, 2017 5:00 pm

Dear Prof. B. Amadon,
your advise is very needed.
I calculated the spectral function, given in four last files listed in attachment.
From this listing can be seen that the results for the self-energy are given for
the spin up and spin down.
The DOS is also spin-resolved.
The question is:
how to obtain the spin resolved spectral function?
With kind regards,
Steve.
Attachments
DMFT_results.doc
(31 KiB) Downloaded 274 times

amadon
Posts: 46
Joined: Mon Aug 24, 2009 10:58 am

Re: Spectral function obtained within the DMFT

Post by amadon » Fri Apr 28, 2017 9:22 am

Dear Steve,

In the module src/68_dmft/m_green.F90, you have the subroutine print_green. It
this subroutine, you have some lines devoted to the writing of spectral functions (only for the Hubbard I solver).
To have the spin resolved spectral function, you should modify this section slightly.

Best regards
Bernard
Bernard Amadon
CEA
France

Steve
Posts: 22
Joined: Tue Feb 08, 2011 8:48 pm

Re: Spectral function obtained within the DMFT

Post by Steve » Fri Apr 28, 2017 5:37 pm

Dear Prof. Bernard Amadon,
many thanks to you for your very nice advise!
Kind regards,
Steve.
Lviv Polytechnic National University
Lviv
Ukraine.

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