mieand

Results 4 comments of mieand

Hi David, As far as I know, there is no method for keeping track of positions of adsorbates. For the different processes you specify, kmos only stores the total number...

Hi, In my experience this error occurs when there is some discrepancy among different Python versions. I have experienced it for example if I installed kmos using one version of...

Hi Max, For size=[1x2] it fails after about 10 steps, whereas for size=[2x2] it fails after about 400,000 steps. Error message for size=[2x2]: kmos/base/replace_species Tried to remove species from sites...

Hey Max, The reason I would like to use such small dimensions is that my model catalyst is a stepped metal surface, which is enough 1D that it seems to...