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NEB Optimization
Date: 2019/07/23 00:59
Name: Reza

Hi Developers,
Could you please guide me that what algorithm (BFGS,LGFGS,FIRE,CG,...) has been used for NEB optimization?
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Re: NEB Optimization ( No.1 )
Date: 2019/07/23 17:32
Name: Naoya Yamaguchi

Dear Reza,

According to the manual:
NEB optimization is based on "a hybrid DIIS+BFGS optimizer".

Naoya Yamaguchi

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