FYI, there is a separate BSE code for WIEN2k called BSE@WIEN2k.
It seems to require a cluster with hundreds of cores and a large amount
of memory as described on slide 23 in the document at:
http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/DFT_advanced.pdf
It cannot be downlo
ing list for WIEN2k users"
> Sent: Saturday, May 16, 2015 11:58:08 AM
> Subject: Re: [Wien] Adding excitonic effects
>
>
> To properly describe an exciton, which is a two-particle entitie, you
> need a two-particle theory at least.
> DFT is a one particle theory, thus i
ailing list for WIEN2k users"
Sent: Saturday, May 16, 2015 11:58:08 AM
Subject: Re: [Wien] Adding excitonic effects
To properly describe an exciton, which is a two-particle entitie, you need a
two-particle theory at least.
DFT is a one particle theory, thus it is not suited to properly
To properly describe an exciton, which is a two-particle entitie, you need a
two-particle theory at least.
DFT is a one particle theory, thus it is not suited to properly describe
excitonic effects.
For solids you must use the Bethe Salpeter Equation (BSE) which is implemented
in other codes a
Hi Users and Developers,
I was calculating optical properties by OPTIC program. How can I add excitonic
effects into the calculation?
--
Dileep Krishnan,
Int. Ph. D Student,
International Centre for Materials Science (ICMS),
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR),
Jak
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