Seeking help from everyone, I have encountered a problem.The metal oxide in my model will deform after geometric optimization, and I am using the COMPASS position. I found that the reason may be due to the difference in charge caused by the unequal number of metal atoms and oxygen atoms in the nanocell, because the charge cannot be zero. However, even after manually balancing the charge, the nanocell still deforms during geometric optimization. I would like to consult with you for a solution. Thank you very much!