<div dir="ltr">Dear CP2K users, I am running my calculations and I have CUTOFF convergence problem - in fact I can not see any convergence in the total energy. I know that the relative differences in energies are important (not the absolute values of energies), therefore I am comparing the energy differences between two structures (I am working with zeolites, and my two structures differs in the position of hydrogen). Even with very high cutoff values I can not observe any convergence of the total energies as well as energy differences. Do you have any idea where is the problem? I will be thankful for any help! Here are my data: CUTOFF [Ry] Total Energy [a.u.] structure 1 structure 2 600 -3467.0403965424 -3467.0619253888 800 -3467.0521866655 -3467.0622253178 1000 -3467.0838714739 -3467.1096147317 1200 -3467.0833499728 -3467.1103018678 1400 -3467.0975445683 -3467.1102723936 ENERGY DIFFERENCES CUTOFF [Ry] E_str1 - E_str2 [kJ/mol] 600 55.9750007029 800 26.1004960059 1000 66.932470253 1200 70.0749269477 1400 33.0923456248 Thank you Katarina </div>