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
Specific Activity in VASP for Pt3Ni
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sharma
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Specific Activity in VASP for Pt3Ni
Last edited by sharma on Fri Oct 29, 2010 10:38 am, edited 1 time in total.
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support_vasp
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Re: Specific Activity in VASP for Pt3Ni
Hi,
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