[CP2K-user] [CP2K:21797] STM simulation shows image only at higher isovalue

Rubee Soni rubee1702 at gmail.com
Thu Sep 4 14:04:14 UTC 2025


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

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/6e830ca5-612f-4e71-ad80-755c5f439575n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250904/f7cfd679/attachment.htm>


More information about the CP2K-user mailing list