Atefeh Arefi

2 Questions 2 Answers 0 Followers

Questions related from Atefeh Arefi

Unconventional absorption energy obtained?

Hello everyone I am looking to calculate the adsorption energy between the amino acid glycine and nanotube. I have shared the executable files of the total energy in the output files. The...

29 May 2025 3,731 2 View

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

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...

01 January 1970 5,558 0 View