ABINIT Discussion Forums

Posted: **Wed Jun 29, 2011 3:32 pm**

Dear Sir/Madam,

I am wondering if there is a way to compute cohesive energy per atom from Etot. If it is not possible please inform me of a way to compute cohesive energy per atom.

Thanks,
Ali

Posted: **Thu Feb 16, 2012 5:55 am**

Have a look at
http://www.mcc.uiuc.edu/summerschool/20 ... e_johnson/

ABINIT Discussion Forums

How to compute cohesive energy per atom?

How to compute cohesive energy per atom?

Re: How to compute cohesive energy per atom?