Abinit interface to Wannier90 code for spinor wave functions

Running Abinit Ground state
1

Dear all,
I am currently trying to generate MLWFs for spinor-values wave functions using Wannier90 interfaced with ABINIT ver9.10.5. The version of Wannier90 utilized as a library during the installation of Abinit is 2.0.1.1, which is compatible with spinor wave functions.

However, upon running the calculation, despite setting the variable “nspinor=2” in the Abinit input file and specifying “spinors=.true.” in the Wannier90 input file, I encountered an error indicating that “param_get_projections: spin is defined but spinors=.false.”

It appears that the Abinit interface program is disregarding the specified value of “spinors” in the Wannier90 input and defaulting to a case without spin-orbit coupling calculation. On the other hand, it recognized that the spin is defined by reading the projection section of Wannier90 input file.

Does this imply that the Abinit interface to Wannier90 code currently only supports cases without SOC?

Best regards,

Shima

2

Dear Shima,

Sorry for the long delay in the response, I didn’t notice this question before!

Indeed, ABINIT and Wannier90 are compatible with spinors, but their interface is not at the moment, unfortunately. However, you interest is duly noted for future implementations.

Best,
Olivier

3

Hi both,

this has been implemented, and is in the development branch. Should be out soon, please check 10.0.3 to see if it is already there.

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