Difference between revisions of "DENTET: can't reach specified precision"
Jump to navigation
Jump to search
(Created page with "Upping k-points fixes this it seems.") |
Sam De Waele (talk | contribs) |
||
| Line 1: | Line 1: | ||
| − | + | This can occur when using the tetrahedron smearing method (ISMEAR = -5). Applying a different smearing scheme can fix the problem or, if ISMEAR=-5 is desired, increasing (or merely changing slightly) the k-points density may overcome the error as well. | |
Latest revision as of 12:01, 8 October 2015
This can occur when using the tetrahedron smearing method (ISMEAR = -5). Applying a different smearing scheme can fix the problem or, if ISMEAR=-5 is desired, increasing (or merely changing slightly) the k-points density may overcome the error as well.