Dear PWscf/GIPAW users. I am studying lithium-manganese oxides and lithium-manganese silicates. Isotropic shifts of 6Li MAS NMR signals in these compounds are predominantly determined by the contact hyperfine interaction (Fermi shifts), i.e. by the interaction between 6Li nuclei and unpaired electronic spins.
Is it possible to calculate these hyperfine shifts or the magnitude of hyperfine interaction by the PWsfc/GIPAW module using job = 'hyperfine'. I also wonder if the corresponding GIPAW input file requires any additional input parameters. The option 'hyperfine' is, namely, not documented in the INPUT_GIPAW.html file. Best regards. Gregor Mali Gregor Mali Kemijski institut/National Institute of Chemistry Hajdrihova 19 SI-1001 Ljubljana tel. +386 1 47 60 412 fax +386 1 47 60 300
