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.

Hi LiMa,
I’m afraid I’ve not used KLIFF and so can’t really comment on how to use with GULP. However, since it’s linked to OpenKIM I would assume that GULP is built for OpenKIM then it should work. I know there has been some issues with users having multiple copies of OpenKIM installed and linking to the wrong one dynamically and so perhaps your issue is related? It would be worth checking LD_LIBRARY_PATH if you do have multiple versions installed.