Dear QE users Is possible calculate the Electric Field Gradient (EFG) in metallic compounds (specifically with Fe atoms) using gipaw.x code and GIPAW pseudopotentials.?? In QE distribution are some examples to calculate the EFG in molecules. This procedures is similar for metallic compounds or there is a different way to calculated it.
Best PhD std. Arles V. Gil Rebaza IFLP - Argentina -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121213/4c8d35ef/attachment-0001.html
