Dear Siesta users and developers,
I am performing a geometry optimization on a system consisting of MnO2, water and amino acids. At first, maxforce was 11 eV/A. During Geo. Opt. it decreased by about 1.5 and now it fluctuate around this amount. I fixed water molecules and decreased MaxCGDispl but they did not work. Could you please guide me what the problem is and how I can fix it? Thank you so much. Best regards, Mina
