[Wien] Formation energy

[Gavin Abo]

For searching the mailing list archive, refer to the webpage:

http://susi.theochem.tuwien.ac.at/reg_user/mailing_list/

You can find previous posts on that topic.  For example:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13078.html
http://www.wien2k.at/reg_user/faq/cohesive_energies.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12197.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16691.html

There are others posts on that you have to search for.

There are also other information you can find on the Internet such as:

https://www.researchgate.net/post/Can_anyone_suggest_how_to_calculate_formation_energy_of_a_crystal
http://wien2k-algerien1970.blogspot.com/2018/01/calculating-cohesive-and-formation.html
https://spinney.readthedocs.io/en/latest/tutorial/defform.html

On 1/1/2021 3:07 AM, abderrazek khireddine wrote:
> Hi
> How to calculate formation energy of a compound using Wien2k?
> Best regards