why ELFCAR results are different with different NPAR

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why ELFCAR results are different with different NPAR

Postby montywang » Sun Feb 11, 2018 3:08 pm

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
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