Coulomb Cutoff in Layer

Run-time issues concerning Yambo that are not covered in the above forums.

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Coulomb Cutoff in Layer

Post by amolina » Thu Nov 21, 2013 9:12 am

Dear all,
I would like to use the Coulomb Cutoff in a single-layer of BN (with c parameter 100 au). I suppose I set the following variables
CUTGeo="box z"
0 | 0 | 30
This means that I am applying a Coulomb Cuttof of L/2 = 30 or L/2 = 15?
Alejandro Molina-Sánchez
INL, Braga

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Daniele Varsano
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Re: Coulomb Cutoff in Layer

Post by Daniele Varsano » Thu Nov 21, 2013 9:23 am

Dear Alejandro,
in this way you are cutting the interaction for |r-r'|> 15.
Sorry if this variable is not well documented.

Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale

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