[CP2K-user] [CP2K:17308] Hard time on Pt 111 slab

Ednilsom Orestes eorestes at gmail.com
Wed Jul 13 02:32:56 UTC 2022


Dear all,
I'm absolutely newbie on CP2K and having hard time on Pt111 slab.

After convergence of cutoff/rel_cutoff to the Pt unit cell, should the 
k-points be converged to the slab or... the unit cell of the bulk has to be 
optimized?


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