How are the settings of dftd in the OPEN MX CODE?

01 January 1970 0 6K Report

Hello everyone I would like to use your experiences regarding the settings dftD of the input file. Is the selection dependent on the type of structure?dftD2 or dftD3 Is there a connection between scf.energycutoff whith DFTD.rcut_dftD? what basis is the value of DFTD.rcut_dftD determined ?

Another question on the same subject DFTD.rcut_dftD it is in Angstroms, Does the periodic structure depend on the dimensions of the unit cell? For example, if the dimensions of the unit cell are 20*20*20, should the value of DFTD.rcut_dftD be set to less than 20?

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