Dear users,
I am a beginner CP2K user and I am trying to perform STM image simulations for a molecule adsorbed on a metal surface. I used the geometry optimized with Quantum ESPRESSO. and I have prepared my input by taking reference from the STM tutorial provided on the CP2K website.
The issue is that using CP2K, the STM image only appears at relatively high isovalue (around 1E-03), while at lower isovalues (e.g., 1E-05) no image is visible. Quantum ESPRESSO produces an STM image even at much lower isovalue (around 1E-06). What could be the reason for this difference?
Thank you
Best Regards,
Rubee