[Pw_forum] Pw_forum Digest, Vol 36, Issue 34

[Ngoc Linh Nguyen]

Thaneshwor Kaloni wrote:
> Dear All,
> I want to calculate the cohesive energy of graphite, I have total 
> energy of graphite its around -11.39 Ryd.
> How can i calculate this.
Firstly, you should understand "what cohesive energy is". Reference in 
some basic text books, or in previous archives 
http://www.democritos.it/pipermail/pw_forum/2008-January/008195.html

Then do the calculations: such as total energy for the isolated C atom 
E_{iso C}, and total energy of graphite E_{total}.
The cohesive energy = E_{total} -  N_C *E_{iso C}

Hope this helps,

Linh

p/s you should not submit the topic of question as a general Pw_forum 
Digest, and reply with a lot of previous question. That makes the 
submittion very messy.

> Sincerely
> Thaneshwor Prashad Kaloni
> S N Bose National Centre for basic Sciences
> Kolkata Indai
>
>
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 Nguyen Ngoc Linh, PhD Student
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