[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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