The recommended settings for ADF COSMO calculations have become more accurate: TZP small core basis set (for all Z ≤ 36), TZ2P small core basis set basis set for Iodine (for all Z ≥ 37), the relativistic scalar ZORA Hamiltonian, and an integration accuracy of 6. The use of the Becke Perdew exchange-correlation functional did not change. The COSMO cavity construction has been made more stable numerically.




