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why ELFCAR results are different with different NPAR

Posted: Sun Feb 11, 2018 3:08 pm
by montywang
Dear All
Recently I ran into a problem that ELFCAR results are different with different NPAR. When NPAR=1, the isosurface region with one value is total different from the isosurface region with the same value when NPAR is not equal to 1. I found the following website on vasp

https://cms.mpi.univie.ac.at/wiki/index.php/LELF

where NPAR=1 is fixed for ELFCAR calculation. Is this problem relative to parallization?

Any response is appreciated.

Wang

Re: why ELFCAR results are different with different NPAR

Posted: Wed Sep 11, 2024 3:40 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP