Is there any updates on dealing with f orbitals in Wannier tool ?

quanshengwu / wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

http://www.wanniertools.org

GNU General Public License v3.0

265 stars 143 forks source link

Is there any updates on dealing with f orbitals in Wannier tool ? #60

Open chanchalbarman opened 5 years ago

chanchalbarman commented 5 years ago

Dear Superiors, Can you people please give a update on dealing with " f " orbital systems ? Is there any flag already included in tool for f orbitals ? Suppose, if I set in wannier90.win file the following, begin projections Ce:f end projections then what could be the order of f orbitals in wt,in file of Wannier tool ?

Many thanks. Looking forward to hear about it.

quanshengwu commented 5 years ago

Not yet. However you can write like this:

Ce: s s s s s s s

For other projectors like sp2, you can use the same way.