SYMPREC: Difference between revisions
No edit summary |
No edit summary |
||
| Line 5: | Line 5: | ||
{{TAG|SYMPREC}} determines how accurately the positions in the {{FILE|POSCAR}} file must be specified. | {{TAG|SYMPREC}} determines how accurately the positions in the {{FILE|POSCAR}} file must be specified. | ||
The default, {{TAG|SYMPREC}}=10<sup>-5</sup>, is usually large enough, even if the {{FILE|POSCAR}} file has been generated with single precision accuracy. | The default, {{TAG|SYMPREC}}=10<sup>-5</sup>, is usually large enough, even if the {{FILE|POSCAR}} file has been generated with single precision accuracy. | ||
Increasing {{TAG|SYMPREC}} means that the positions in the {{FILE|POSCAR}} file can be specified with less accuracy (increasing fuzziness). | Increasing {{TAG|SYMPREC}} means that the positions in the {{FILE|POSCAR}} file can be specified with less accuracy (increasing fuzziness). Please also have a look at [[POSCAR#Precision_and_symmetry|this section]]. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 08:07, 11 August 2022
SYMPREC = [real]
Default: SYMPREC =
Description: SYMPREC determines to which accuracy the positions in the POSCAR file must be specified (as of VASP.4.4.4).
SYMPREC determines how accurately the positions in the POSCAR file must be specified. The default, SYMPREC=10-5, is usually large enough, even if the POSCAR file has been generated with single precision accuracy. Increasing SYMPREC means that the positions in the POSCAR file can be specified with less accuracy (increasing fuzziness). Please also have a look at this section.