Wave function coefficients in a calculation including spin-orbit

SIESTA - Technical Features and Bug Report
1

Hi everyone,

The writing of the WFSX file is not currently implemented in the case of a calculation including spin-orbit. Is there any other straightforward way to extract the wave function coefficients in a calculation including spin-orbit?

Thanks,

Pablo

Pablo Aguado-Puente
Queen’s University Belfast
Belfast, Northern Ireland, UK

2

Dear Pablo,

It is something that should be implemented so I suggest to submit an issue with a feature request st siesta project.

3

It turns out it is implemented in the current master branch, not in the 4.1 official relase or the PSML versions though.
Cheers,
Pablo