ESF CONV
ESF_CONV = [real]
Default: ESF_CONV = 0.01
Description: Sets the convergence criterion for ESF_SPLINES, i.e., check if the energy difference between two interpolations is < ESF_CONV (in eV).
ESF_CONV sets convergence criterion in the tricubic spline interpolation of the RPA correlation energy. This tag is used in conjunction with ESF_SPLINES and ESF_NINTER. If ESF_SPLINES=T is set, the RPA correlation energy is interpolated to finer k-point meshes using a tricubic spline interpolation.[1]
If the energy between two interpolated k-point grids is less than ESF_CONV the calculation is considered to be converged. If the threshold has not been reached within ESF_NINTER iterations VASP will print a warning about insufficient convergence.
| Tip: This method works for metals and insulators. |
| Warning: Remove WAVEDER before running the job and avoid setting LOPTICS. |
Related tags and articles
ESF_SPLINES, ESF_NINTER, LOPTICS