Thanks a lot.
On Wed, May 4, 2016 at 1:11 PM, Laurence Marks
wrote:
> You do not need to worry about this - it has little effect on the
> convergence. It certainly is not connected to the energy change.
>
> If :DIS, :ENE, :MV etc are converged, the energy is reliable within the
> accuracy of yo
You do not need to worry about this - it has little effect on the
convergence. It certainly is not connected to the energy change.
If :DIS, :ENE, :MV etc are converged, the energy is reliable within the
accuracy of your choice of functional.
---
Professor Laurence Marks
"Research is to see what e
2 matches
Mail list logo
