Hello Julian,
I’m sorry to trouble you. I’m currently using the KLIFF program to fit potential functions, and I’m using the kim_model command to invoke the fitted potential functions. However, the energy values in the output file are all zero. Could you please advise on how to correctly invoke the potential functions fitted by KLIFF in GULP? Here is the official website of the KLIFF program: KLIFF 0.4.3 documentation. Thank you for your assistance.
Sincerely,
LiMa