Differentiate between H+ and H

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Fauzee
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Differentiate between H+ and H

#1 Post by Fauzee » Tue Jan 07, 2014 7:41 am

Dear Users,

I have a problem to specify the charge state of hydrogen in VASP. How can I differentiate between H and H+ in VASP?

Thank you very much in advance.
Last edited by Fauzee on Tue Jan 07, 2014 7:41 am, edited 1 time in total.
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alex
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Differentiate between H+ and H

#2 Post by alex » Tue Jan 07, 2014 10:55 am

E_tot(H+) = 0.

;-)

Cheers,

alex
Last edited by alex on Tue Jan 07, 2014 10:55 am, edited 1 time in total.
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