[QE-users] formation energy calculation in QE - Reg

[Lorenzo Paulatto]

hello,
yours is not a question that can be answered in an email (the formation 
energy of what? an what can you do already?), I recommend you start from 
the tutorial page of the quantum espresso project 
<http://www.quantum-espresso.org/resources/tutorials> and spend a couple 
of weeks learning how to use the code.

Under "General Tutorials on Electronic-Structure Methods" there are a 
few video-tutorials available, that you may follow.

regards



On 6/28/20 6:22 AM, singaravelan T R wrote:
> Respected sir/madam,
> Myself singaravelan and i am from chennai, Tamilnadu, India.
> *Question : I would like to know how the formation energy can be 
> calculated using quantum espresso ?*
> *I know the formula and theory behind it, but within QE is there any 
> possibility to calculate it?*
> with thanks,
> Singaravelan T R
> 
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-- 
Lorenzo Paulatto - Paris