All public logs

Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 10:39, 24 February 2025 Schlipf talk contribs created page Smearing technique (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...")