ABINIT Discussion Forums

Dear Abinit developers.
How could I continue my calculations, which were terminated during computer reboot, OS bugs etc. And where can I get a new computed wavefunction after calculation end?

Calculation can be continued based on the last completed dataset, if you have 5 datasets in total and 2 completed, and then crashed calculating the 3rd dataset, you can launch the continuing jobs using setting in input file:
ndataset 3
jdtset 3 4 5
abinit will automatically go on the jobs.

casjxm

Dear casjxm.
Would it work with variables getwfk -1, getxred -1 etc.
Palq