[Pw_forum] EFG calculation with GIPAW psudopotentials

Arles V. Gil Rebaza arvifis at gmail.com
Thu Dec 13 16:52:04 CET 2012


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
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