[Pw_forum] ESR g-tensor calculation

[stirling andras]

Dear espresso users,

I would like to ask if it is possible to
calculate g-tensor for ESR spectra, using the espresso package?

The mailing list has one note from last year about the implementation
of the Pickard-Mauri method. I would like to know
if it works and if yes, what are the keywords to obtain
the g-tensor for a system containing unpaired spin(s)?

Thank you for your attention,

Andras Stirling
Department of Theoretical Chemistry,
Chemical Research Center, Budapest, Hungary


-- 
stirling andras <stirling at chemres.hu>