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deuterium pseudopotential

Posted: Fri Mar 18, 2005 10:21 am
by davidloffreda
Hello,

Does anybody know where we can find a GGA pseudopotential for deuterium?

Thanx for your help,

deuterium pseudopotential

Posted: Mon Apr 11, 2005 1:35 pm
by admin
As D has one valence electron as H, just change POMASS in POTCAR to 2.000