[Pw_forum] choosing oxygen and Hydrogen pseudopotentials
vamsi.iisc at gmail.com
Sat Nov 7 07:48:34 CET 2009
I have done some work on metals using PWscf code.
No i want to see how gases adsorb on metals. Inorder to do that i want to
know how to choose pseudopotentials for gases say Oxygen and Hydrogen and
how to tune the parameters of pseudopotentials to perform the calculations.
K V Vamsi
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