JDFTx  1.7.0
wannier-center-pinned

Syntax:

wannier-center-pinned <aorb1> [<aorb2> ...]

Note: only available in calculations using the 'wannier' executable.

Description:

Same as command wannier-center, except that the minimizer tries to center this orbital at the specified guess positions (weighted mean of the orbital centers, if using a linear combination). This can help improve the minimizer conditioning if the centers are known by symmetry.

Properties:

Requires:     ion     spintype     wannier-dump-name     wannier-initial-state

Forbids:     (None)

Allow multiple:    yes

Default:     (None)

Back to: Input file documentation or Index of commands