BUG :Bloch phases to Wannier90

[Chem]

dear all

I have the following message when I try to make the initial projections as a Bloch phases

to interpolate band strcture with WANNIER90 in ABINIT

* mlwfovlp_proj: compute A_matrix of initial guess for wannier functions
processor 0 will compute k-point,spin= 1 1

mlwfovlp_radial.F90:155:BUG
Radial function r= 0
is not defined
Modify .win file

Action : contact ABINIT group.

.Delivered 13 WARNINGs and 3 COMMENTs to log file.

can anyone to help me how to define the Radial finction?

Kind regards.

[rangel]

Hi,
If this is still of help.
The radial function can be anything from 1 to 4
In the Wannier90 manual they explain the options from 1 to 3.
Option 4 is only implemented in ABINIT, it uses a Gaussian radial function. This is the fastest option.

The Wannier functions usually are not dependent on this choice..

Best
Tonatiuh