Dear all,

Hope you have a good day.

As far as I know, the CASTEP implemented in the Materials Studio provides a solvation calculation since ver.2023.

According to the online help page, the solvation calculation in the CASTEP need to set the electronic option as below.

1. FFT grid density -> Fine / Precise
2. Augmentation density scaling factor -> 1.5 to 2.0 instead of default value(1.0)

It would be grateful if you let me know which part of the calculation does the above option affect.

Thank you all,

Best regards,

Rakhoon Choi