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Solid Liquid Interface Calculations in VASP

Posted: Tue May 06, 2025 11:19 am
by bolariso

Dear Team,

I will like to ask how robust is VASP for Solid-liquid interface calculations? viz a viz how to properly handle the liquid descriptions in VASP. And are there any designated tutorials for it where I can get hands-on? How do people work around solid-liquid interface calculations using VASP?


Re: Solid Liquid Interface Calculations in VASP

Posted: Tue May 06, 2025 2:48 pm
by jonathan_lahnsteiner2

Dear bolariso,

Solid liquid interface computations are possible with VASP. I would like to point you to the following wiki page. There you will find some theory about interface pinning and also literature recommended to read. Also this page might give you more insight.

All the best Jonathan