Apr 7, 2022 · NELMIN specifies the minimum number of electronic self-consistency steps. It is rarely necessary to change the value of the NELMIN tag.
NELMIN gives the minimum number of electronic SC steps. Generally you do not need to change this setting. In some cases (for instance MD's, or ionic relaxation) ...
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Jun 20, 2024 · NELM sets the maximum number of electronic SC (self-consistency) steps. Normally, there is no need to change the default value.
NELMIN = Min electronic relaxation steps that should be done between each ionic (geometric) update. EDIFF = Stopping criteria for ELM (electronic ...
Nov 20, 2018 · NELMIN = 8 # do a minimum of four electronic steps. EDIFF ... He was using an older version of VASP, so I had to change a few parameters.
In the case of VASP, the calculations for the finite displacement method can be proceeded just using the POSCAR-{number} files as POSCAR of VASP calculations.
Aug 9, 2016 · I've successfully performed binding energy calculations with VASP, but I'm stumped with Gibbs free energy. ... NELMIN = 4. ISMEAR = 0. IBRION = 7
Jan 22, 2024 · I have been trying to do Piezoelectric and Elastic calculations for my system in VASP, and i ended up with this error. ... NELMIN = 6 EDIFF = ...
Mar 10, 2024 · I've been working on SCF calculations using VASP, and I've noticed that even with the following INCAR settings, I'm not seeing eigenvalues close to 1 or 0 ...
This can be done by performing a few static calculations with varying AMIX and BMIX parameters and do determine the one leading to the fastest convergence.
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