error with continuum solvent model

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Locked
Message
Author
morteza
Newbie
Newbie
Posts: 2
Joined: Thu Nov 14, 2019 4:56 am

error with continuum solvent model

#1 Post by morteza » Thu Nov 14, 2019 5:03 am

Hi

My simulation on the adsorption of ions on clay surface with solvent model using VASP fails for Cesium and Iodine ions, while it works fine in vacuum. It does not happen for Na, Ca, Sr, and K ions though. I'm wondering if it is due to the implementation or something else?
I have attached the simulation files. Thanks.
You do not have the required permissions to view the files attached to this post.

martin.schlipf
Global Moderator
Global Moderator
Posts: 542
Joined: Fri Nov 08, 2019 7:18 am

Re: error with continuum solvent model

#2 Post by martin.schlipf » Fri Nov 15, 2019 9:10 am

What behavior do you experience when you run the calculation? Can you show exemplary output?

Martin Schlipf
VASP developer


Locked