Dear Administrator,
I have dimer calculation completed and showing the forces less than 0.001 eV/A. Upon doing a single point calculation the forces rices to 0.04 eV/A. As previously suggested by you I have checked the CENTCAR, CONTCAR and transforming the x y z coordinates obtained in OUTCAR, but this has not helped me. On all the above three structures there are forces greater than 0.001 eV/A.
Have you got any latest code which removes this descripancy? If so kindly give me the link to the code.
Thank you very much for all your valuable support
Best wishes
Dimer derived structure to single point calculation
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