Surface adsorption energy input file examples

29 views
Skip to first unread message

Alex Espinoza

unread,
Jul 15, 2025, 3:57:30 PM7/15/25
to cp2k
Hello, 

I am new to CP2K and was wondering if anyone has any sample input files that involve a metal oxide surface with a molecule that can be adsorbed to measure the energy. My biggest issue is using the SCF converge with many atoms(200+). 

Thanks,
Alex
Reply all
Reply to author
Forward
0 new messages