IBRION=6 elastic tensor calculations
Posted: Thu Nov 21, 2024 5:02 pm
I am trying to perform elastic tensor calculations for two structures but the calculations don't complete before I hit the 48h walltime limit on my HPC (knowing that IBRION=6 calculations cannot be restarted). I have attached the input files for the two structures - are there any changes that could be made to reduce calculation time?
Thanks,
Will