Dear Sir,
I have one question about how to restart the unfinished opt.
For example, I set the relaxation "Max Force = 0.05 eV/A". In calculation process, when the force come to 0.06 eV/A, suppose some thing wrong happens at this moment, and the calculation stop here. Any method can restore "SCF and BulkConfiguration" when the force is 0.06 eV/A ? Or, we can wirte some script to store the latest opt "SCF and BulkConfiguration" ?
As I know, I can just restore the initial configuration and the first SCF.
Thanks~
FangYong