vdW radius for Al element in DFT-D2 method of Grimme
Posted: Wed Nov 30, 2011 7:36 pm
http://cms.mpi.univie.ac.at/vasp/vasp/D ... rimme.html
The van der Waals radius (R0) for Al in Table 2 shoud be 1.639 angstrom (S. Grimme, J. Comput. Chem. 27, 1787 2006.).
The van der Waals radius (R0) for Al in Table 2 shoud be 1.639 angstrom (S. Grimme, J. Comput. Chem. 27, 1787 2006.).