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- From: homegchiche@yahoo.fr
- To: forum@abinit.org
- Subject: Vacancy-formation energy with abinit
- Date: Wed, 8 Oct 2003 16:26:38 +0200
Dear Abinit users,
Thank you for your answers and your help for my last question.
I have another question about the study of vacancy with abinit. I would like
to know if the present code could give directly self consistent
Vacancy-formation energy.
I know that one can calculate them with (for exemple) the formulation given
in the following paper ( PRB, 51, 9526 (1995)) which needs more CPU time to
converge the supercell with and without vacancy.
I also would like to know if there is abinit tutorials about this subject
Thanks for your time and your help
Sincerly yours,
Megchiche
- Vacancy-formation energy with abinit, homegchiche, 10/08/2003
- Re: [abinit-forum] Vacancy-formation energy with abinit, Steven Homolya, 10/09/2003
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