[Pw_forum] Hyperfine calculations - Extrapolation of spin density

[roberta pigliapochi]

Dear all,
I've been running some NMR calculations via the GIPAW module and I would
like to ask a question concerning the hyperfine tensor: would it be
possible to have the difference density of spin-up and spin-down electrons
at position r explicitly output? I believe the hyperfine coupling constant
A is calculated from it - n_s (r) - as in Bl*ö*chl, Phys. Rev. B, 2000.
Thank you all for the attention,
best regards.
Roberta

Pigliapochi, Roberta
PhD Candidate | Grey Research Group
University of Cambridge
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140811/bbcbd285/attachment.html>