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- From: homegchiche@yahoo.fr
- To: forum@abinit.org
- Subject: Brillouin zone sampling for supercell calculation
- Date: Wed, 17 Mar 2004 18:23:58 +0100
Dear Abinit users,
Actually, I'm doing the calculation of the vacancy formation energy of nickel
with the supercell method. I've choosed supercell with 8, 16, 27 and 32 sites.
I would like to know how to choose the compatible brilouin zone sampling (the
"ngkpt" input variable) for each supercell.
Thanks for your help and your time.
Sincelly yours.
H.megchiche
- Brillouin zone sampling for supercell calculation, homegchiche, 03/17/2004
- Re: [abinit-forum] Brillouin zone sampling for supercell calculation, Xavier Gonze, 03/18/2004
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