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.
error with continuum solvent model
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morteza
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error with continuum solvent model
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martin.schlipf
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Re: error with continuum solvent model
What behavior do you experience when you run the calculation? Can you show exemplary output?
Martin Schlipf
VASP developer