For this issue, please send a request to quantumatk-support@synopsys.com, together with information on which operating system the QuantumATK calculation was done and which version of QuantumATK was used for this calculation. Also, whether the QuantumATK 2019.12 GUI is used on your local machine/laptop or on a remote cluster. It would be helpful to have a hdf5 file and related python script and log file.