JDFTx  1.2.1
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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 usinga linear combination). This can help improve the minimizer conditioning if the centers are known by symmetry.

Properties:

Requires:     coords-type     latt-scale     spintype     wannier-dump-name     wannier-initial-state

Forbids:     (None)

Allow multiple:    yes

Default:     (None)

Back to: Input file documentation or Index of commands