[gpaw-users] SJM + vibration calculation

[Laverdure, Laura]

Hello!
I've optimized adsorbates on slab using the solvated jellium model and I'd like to get the free energies of the adsorbates.
I'm using gpaw/1.5.2 and something about SJM + frequency calculation doesn't work. I've attached my input file and the error file it produced.
I've tried the regular GPAW calculator and it will give frequencies, but some modes are imaginary. I expect this is due to optimization in a solvent instead of gas phase.
Any suggestions would be appreciated.
Thank you!
Laura Laverdure.

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