Hi all,
I am calculating elastic constants for Pure Mg and Mg-X alloy systems. Earlier I referred the Vasp manual that for systems where internal relaxations takes place we should use Methfessel-Paxton smearing as the integration scheme.
Is it actually incorrect to use Tetrahedron method with bloechl corrections as smearing method for pure metallic systems and alloys where we realize internal relaxations. What is the error we are looking at?
regards,
Biswaranjan Dash
IISc Bangalore, India
Smearing method-Tetrahedron method with bloechl corrections for metallic systems
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biswaranjandash
Smearing method-Tetrahedron method with bloechl corrections for metallic systems
Last edited by biswaranjandash on Fri Sep 16, 2011 4:10 am, edited 1 time in total.
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support_vasp
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Re: Smearing method-Tetrahedron method with bloechl corrections for metallic systems
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