WS for low dimentional systems

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

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MarcoCamp
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WS for low dimentional systems

Post by MarcoCamp » Fri Mar 13, 2026 2:52 pm

Dear all,

I am calculating the GW and BSE for a 1D chain system with the x-axis as the periodic direction.
I set up the cut-off for the coulomb interaction using the wigner seitz cut (my cell is orthorhombic).

I was wondering if the RIM procedure is also required for WS, as in the case of Box cut-off.

Best,

Marco
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Daniele Varsano
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Re: WS for low dimentional systems

Post by Daniele Varsano » Tue Mar 17, 2026 1:36 pm

Dear Marco,

in this case the RIM procedure does not apply.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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