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Posted: **Mon Feb 10, 2020 3:16 pm**

Hello all,

when I use opt88 vdwcorrection to calculate 3 layers 12*12 Ag(111) slab with a 18 A vacuum layer , the total energy is positive
and this lead to a large adsorption energy.
however when I use PBE without any correction, the adsorpiton energy is small and resonable.
could anyone tell me why?

Thanks a lot

Posted: **Wed Sep 11, 2024 3:07 pm**

Hi,

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adsorption energy is too high when using optb88 correction

adsorption energy is too high when using optb88 correction

Re: adsorption energy is too high when using optb88 correction