Smearing technique: Revision history

Diff selection: Mark the radio buttons of the revisions to compare and hit enter or the button at the bottom.
Legend: (cur) = difference with latest revision, (prev) = difference with preceding revision, m = minor edit.

24 February 2025

  • curprev 10:4110:41, 24 February 2025‎ Schlipf talk contribs‎ 4,003 bytes +257‎ No edit summary
  • curprev 10:3910:39, 24 February 2025‎ Schlipf talk contribs‎ 3,746 bytes +3,746‎ Created page with " == How to set ISMEAR == For the calculation of the ''total energy'' in bulk materials, we recommend the tetrahedron method with Blöchl corrections ({{TAG|ISMEAR}}=-5). This method also gives a good account of the electronic density of states (DOS). The only drawback is that the method is not variational with respect to the partial occupancies. Therefore the calculated forces and the stress tensor can be wrong by up to 5 to 10% for metals..."
Retrieved from "https://www.vasp.at/wiki/index.php/Smearing_technique"