Can you be a little more specific. What is the behavior that you are trying to accomplish:
1. for the DFT/COSMO run?
2. For the TDDFT?
For the latter, I don't think we have restartable eigensolvers yet.
Bert
Quote:Rayamaranth Dec 2nd 2:07 pmHi all,
I am doing calculation with DFT/COSMO model,
It seems, when I restart the job, it will always restart from the beginning of cosmo part. Does anyone have this problem before? What should I do? There is no variable in the COSMO list can load any information...
And I have this restart problem in TDDFT calculation too, it will always restart from scratch.
Thank you! |