Ab-initio molecular dynamics (VASP). can anybody please help me with these two doubts in AIMD simulation?

1. Firstly i would like ask whether it is okay to run AIMD at gamma point or gamma centered k-mesh (1 1 1)? 2. Secondly, It is very confusing on vasp wikki to know about the tags for choosing...

04 April 2025 2,623 2 View