Dear PWscf users, I am studying hyperfine interaction of lithium nuclei in some lithium manganese silicates. I hope that an insight into the interaction could be obtained by calculating spin-polarization at Li position (or in a small sphere around Li), or by using the GIPAW module. In the former case (spin-polarization) I would like to use the PAW approach, since, as far as I understand, it improves the accuracy on the core.
I kindly ask, whether someone is willing to share a PAW dataset for Mn, or an input file for generation of such a dataset, as well as norm-conserving pseudopotentials for Li and Mn, convenient for use with GIPAW. Thank you very much in advance. Gregor Mali National Institute of Chemistry Ljubljana, Slovenia
