[Wien] Berrypi & w2w
Peter Blaha
pblaha at theochem.tuwien.ac.at
Mon Aug 24 20:47:47 CEST 2020
I'd guess that for an insulator this is not a problem.
It would be problematic for metals, but berrypi is not for metals anyway.
Am 24.08.2020 um 19:52 schrieb Laurence Marks:
> Does anyone know if berrypi /w2w require a 3D k-mesh, e.g. what will
> happen with a surface calculation where along the long direction there
> is only one k-point?
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu <http://www.numis.northwestern.edu/>
> Corrosion in 4D: www.numis.northwestern.edu/MURI
> <http://www.numis.northwestern.edu/MURI>
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought"
> Albert Szent-Gyorgi
>
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