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Messages - Z.GAO

#1
When we calculate the enthalpy of adsorption under infinite dilution conditions, we find that the enthalpy of adsorption varies greatly with different unit cells. So what is the basis of unit cell setup? When I set the unit cell to less than 2 times the truncation radius, the results file prompts a warning. But according to the manual, there is no cut-off radius setting, which is why?
#2
I had the same problem. I wonder if you have solved this problem?
#3

Dear Prof. Dubbeldam and RASPA community,
When calculating the adsorption of propylene in MOF, I set the porosity in the input file. However, why are the values for absolute and excess adsorption still the same when helium porosity is set?
Below is my input file.

Best Regards!
Z.Gao
#4
Maybe you need to define RestartFile as yes in the simulation.input file