[CP2K-user] [CP2K:17590] CP2K+SIRIUS with dispersion functionals

[Dialogicus]

Dear CP2K users, 

As CP2K manual says it’s possible to use Van der Waals functionals in the 
plane-wave calculations with SIRIUS.

I tried to run Fm3m gold cell optimization using pseudopotential PW method. 
VdW interactions were taken into account in VDW_POTENTIAL subsection with 
NON_LOCAL type of dispersion functional. However, it seems there’s no 
difference between calculations with and without dispersion correction. I 
suspect the vdW functionals don’t work in my case.

My CP2K and SIRIUS are both linked with libvdwxc library. 

I don’t know what I’m doing wrong. Is any ideas?

My input and output files (with and without vdW correction) are attached 
below.

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