JDFTx  1.0.0
symmetries

Syntax:

symmetries <symm>=automatic|manual|none <moveAtoms>=no|yes

Description:

  • none: symmetries are off
  • automatic: automatic calculation of symmetries (default)
  • manual: symmetries specified using symmetry-matrix command

If <moveAtoms>=yes, check if symmetries could be increased by translating all the atoms, and quit after suggesting the translated positions.

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:

symmetries automatic no

Back to: Input file documentation or Index of commands