ABINIT Discussion Forums

Hi my friends. I am doing a NLO calculation, unfortunately the electric current is interrupted in the middle of ndtset4. my question is: are there a way to not repeat all atomic displacements already accomplished.

datasets that are finished can be reused as input files. You will probably have to re-name the files say as "gsi_WFK" instead of "gso_WFK" depending on how you set up your file of file names, and also you would use input variables like "irdwfk" instead of "getwfk".