[Pw_forum] choosing oxygen and Hydrogen pseudopotentials

vamsi kv vamsi.iisc at gmail.com
Sat Nov 7 07:48:34 CET 2009


Dear all,

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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