[Pw_forum] utilization of different Ultrasoft pseudopotentials

saqib.javaid at ipcms.u-strasbg.fr saqib.javaid at ipcms.u-strasbg.fr
Fri Mar 27 15:04:22 CET 2009

Dear PWSCF users,
I have question regarding utilization of different type of Ultrasoft
pseudopotentials. Is it correct to use different type of ultrasoft PS ( like
rrkjus and Vanderbilt) for different atoms in a given system??? (e.g. one can
use rrkjus PS of Cobalt and Vanderbilt PS of Mn with same XC functionals in a
given system)

With best regards

PhD Student
University of Strasbourg
Strasbourg, France.

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