How to calculate the average voltage from the VASP simulation results such as total energy, etc?
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How to calculate the average voltage from the VASP simulation results such as total energy, etc?
How are you there?
Recently I am interested in the LiV3O8 material.
I try to simulate the structure by VASP.
My question is How to obtain the average voltage from the VASP simulation results such as total energy, final density, etc.
Since I just have started this kind of work recently, it is not easy and sometimes not understandable.
Please give me a brief explanation or if it is not permitted, give me hints or references regarding on the procedure to get the average voltage value.
Thanks for your help in advance.
Bok-ki x)
Recently I am interested in the LiV3O8 material.
I try to simulate the structure by VASP.
My question is How to obtain the average voltage from the VASP simulation results such as total energy, final density, etc.
Since I just have started this kind of work recently, it is not easy and sometimes not understandable.
Please give me a brief explanation or if it is not permitted, give me hints or references regarding on the procedure to get the average voltage value.
Thanks for your help in advance.
Bok-ki x)
Last edited by bkkim60 on Tue Sep 03, 2013 10:01 am, edited 1 time in total.
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- Global Moderator
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Re: How to calculate the average voltage from the VASP simulation results such as total energy, etc?
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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