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*?*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://pwscf.org/pipermail/pw_forum/attachments/20140811/bbcbd285/attachment.html
