Resuming IBRION=6
Posted: Wed Oct 12, 2022 7:49 am
Hi
I actually tried to get force constant with IBRION = 6.
Starting calculation works nice, however, process was terminated by time regulation of sever.
Is it possible to resume the calculation? Because of rule of super computer, I can only run the culculation for 96 hours at maximum.
I would appreciate any your advice and comment.
Just in case, I uploaded INCAR, KPOINT and log files as zip file.
If I reduce K-point numbers, the force constant was not converged well.
Sincerely
I actually tried to get force constant with IBRION = 6.
Starting calculation works nice, however, process was terminated by time regulation of sever.
Is it possible to resume the calculation? Because of rule of super computer, I can only run the culculation for 96 hours at maximum.
I would appreciate any your advice and comment.
Just in case, I uploaded INCAR, KPOINT and log files as zip file.
If I reduce K-point numbers, the force constant was not converged well.
Sincerely