COSMO-RS needs as input for the calculation so called COSMO result files for each compound, which are results of quantum mechanical calculation using COSMO. In ADF such a COSMO result file is called a TAPE21 (.t21) file or a COSKF file (.coskf). In other programs such a file can be a .cosmo file. For example, at http://www.design.che.vt.edu/VT-Databases.html a database of .cosmo files can be found, which were made with a different program. Note that the optimal COSMO-RS parameters may depend on the program chosen.
ADF COSMO calculation
