> It happens that when the run accidentally stops before > the convergence is reached (because the simulation cell is big and > the computing time per run is limited)
A possible solution to your problem could be to add the instruction "max_seconds = n" in the input file. This force the program to exit after n seconds, writing all the files it needs for restarting (provided that n is shorter than the time limit for you run ...). Stefano. -- ----------------------------------------------------------------- Stefano Fabris fabris at democritos.it INFM DEMOCRITOS - SISSA tel: +39 040 3787405 via Beirut 2-4, I-34014 Trieste, Italy fax: +39 040 3787528 ------------------------------------------------------------------
