oct-wannier90lib

Name Wannier90CalcOverlaps
Section Utilities::oct-wannier90lib
Type logical
Default no

Whether or not to calculate the amn and mmn matrices from octopus states. By setting this variable to no, oct-wannier90 will attempt to read them from files. This applies only to the standalone utility oct-wannier90lib.

Name Wannier90DumpFiles
Section Utilities::oct-wannier90lib
Type logical
Default no

Whether or not to dump intermediate files to disk. This applies only to the oct-wannierlib utility. Files are: .amn, .mmn, .eig and .win with inputs.

Name Wannier90Plot
Section Utilities::oct-wannier90lib
Type logical
Default no

If set to yes, oct-wannier90lib will generate the wannier functions on a real space grid and write them to file.

Name Wannier90Wannierize
Section Utilities::oct-wannier90lib
Type logical
Default yes

Whether or not to perform the wannierization step (including disentanglement). This applies only to the standalone utility oct-wannier90lib.