[Pw_forum] Looking for Manganse pseudopotential

Christian Santiago Helman helman at tandar.cnea.gov.ar
Wed Oct 28 05:49:25 CET 2009


Hello world!

I'm looking for a Manganse pseudopotencial. At the QE home page there
is one but with semicore states in valence. Does anybody have a pseudo
without semicore. Of course, Scalar-Relativistic Calculation and GGA (
the PBE one) and Ultrasoft are the main caracteristics
Thanks everybody!!


Lic. Christian Helman
Gerencia de Investigaciones y Aplicaciones
Centro Atómico Constituyentes-CNEA
Argentina
Tel:++54-11-6772-7102



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