Hi Dr Dubbeldam:
I used the RASPA2.0.3 to simulate the isotherm of acetylene. However, when the pressure is higher than about 1500 Pa, I got a warning in the output file.
Simulation finished, 1 warnings
WARNING: ENERGY DRIFT (INTERNAL CONSISTENCY ERROR IN THE CODE), THE SIMULATION RESULTS ARE WRONG!!
How can I resolve the warning? Adding the NumberOfCycles?
Thanks,
Daqiang