[gpaw-users] Restarting an optimization run

[Jens Jørgen Mortensen]

Hi!

I'd like to know how people continue optimization runs with GPAW that 
are killed in the middle of a force-calculation.

Do you have some if-else magic in your script to handle both the first 
run and a continuation run or do just edit the first script to start 
from the last image in the trajectory file form the previous run?

Do you worry about not repeating the force-calculation for the last 
image in the trajectory file you continue from?  If yes, how?

Jens Jørgen