Lattice constant estimation with BEEF-vdW

[gnitis...@gmail.com]

Hi,

I have been trying to estimate the lattice constant of Pt for a few functionals using CP2K. It seems to work well for PBE, PBE-D3, RPBE, RPBE-D3, PBE-rVV10 etc. However, I have issues when I use the BEEF-vdW functional. In particular, the cell seems to expand quite a bit in the first few optimization steps. This is not the case with other functionals. 

Has anyone experienced something similar? 

I have attached the input file, input and output coordinates.

Best,

Nitish