NELMIN
NELMIN = [integer]
Default: NELMIN = 2
Description: NELMIN specifies the minimum number of electronic SC steps.
Generally you do not need to change this setting. In some cases (for instance MD runs, or ionic relaxation) you might set NELMIN to a larger value (4 to 8).
Related Tags and Sections
Example Calculations using this Tag
Constraining the local magnetic moments, Determining the Magnetic Anisotropy, Estimation of J magnetic coupling, Including the Spin-Orbit Coupling, liquid Si, NiO GGA+U, NiO HSE06, Relaxed geometry, TS search using the Improved Dimer Method, TS search using the NEB Method, Vibrational Analysis of the TS