Re: How to find interaction energy in result with using DFTD3 method ( No.1 ) 
 Date: 2022/10/20 14:57
 Name: T. Ozaki
 Hi,
The interation energy is defined as the total energy of the dimer  2 times that of the monomer.
As explained in the manual, all the input files for the calculations can be found in a directory 'work/DFTD3/', and they are
DimerBen10.0.dat DimerBen3.88.dat DimerBen4.5.dat MonoBen1.dat DimerBen3.3.dat DimerBen3.89.dat DimerBen5.0.dat MonoBen2.dat DimerBen3.4.dat DimerBen3.8.dat DimerBen6.0.dat MonoBen.dat DimerBen3.6.dat DimerBen3.9.dat DimerBen7.0.dat DimerBen3.86.dat DimerBen4.0.dat DimerBen8.0.dat DimerBen3.87.dat DimerBen4.2.dat DimerBen9.0.dat
So, by performing all the calculations and extracting the total eneries from the out files. You can plot such a figure.
Regards,
TO

