<div dir="ltr">Dear all, I am simulating a mixture of H2O-CO2 and after an equilibration period of 4 ps I am performing a productive run to calculate the system properties. Among these properties, I want to calculate Wannier centers and spreads. I am using the following method (I attach the corresponding part of the input file): &LOCALIZE METHOD CRAZY EPS_LOCALIZATION 1.0E-8 &PRINT &WANNIER_CENTERS &EACH MD 1 &END EACH IONS+CENTERS T FORMAT XMOL FILENAME ./ions+centers.xyz COMMON_ITERATION_LEVELS 3 &END WANNIER_CENTERS &WANNIER_SPREADS &EACH MD 1 &END EACH FILENAME ./wannier-spreads COMMON_ITERATION_LEVELS 3 &END WANNIER_SPREADS &END PRINT &END LOCALIZE However, the run is significantly slower in comparison with the previous runs, when I was not calculating Wannier centers and spreads. Is there any way, from a methodology and technical point (eg parameter choice) of view, to speed up my calculation without losing the accuracy in the estimation of the Wannier centers? Thanks in advance Yannis Skarmoutsos </div>