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Specific Activity in VASP for Pt3Ni

Posted: Fri Oct 29, 2010 10:38 am
by sharma
Hi every one, I want to calculate the specific activity for Pt3Ni alloy using VASP. Please anyone suggest me how to calculate the specific activity (reactivity) with the d-band energy relation....

Please give me some INCAR file information and OUTCAR file information also from where we can get that value..........
Thanks

Re: Specific Activity in VASP for Pt3Ni

Posted: Thu Sep 12, 2024 8:53 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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