[Wien] Formation energy

حسين اصغر رهنماي علي آباد rahnama at hsu.ac.ir
Tue Sep 30 11:02:49 CEST 2025


Dear Wien2k users,

For the calculation of formation energy, how to calculate the ground-state energies of the bulk atoms and the isolated states of atoms in the unit cell?

Best regards,

H. A. Rahnamaye Aliabad
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20250930/fa8db9b2/attachment.htm>


More information about the Wien mailing list