Somayeh Sayahi

2 Questions 5 Answers 0 Followers

Questions related from Somayeh Sayahi

How can I apply an electric or magnetic field to a cluster?

I want to apply a field to a cluster by VASP, how can I provide a suitable INCAR for this? And if this calculation needs other point, please advise me.

20 October 2023 6,906 3 View

How can i provide a suitable INCAR (EDIFF, EDIFFG) for optimize a cluster by VASP?

I have been running a job by VASP. My structure is a cluster(46 atoms) + one metal. when i want to optimize it, at the middle of the run, i saw this message: please rerun with smaller EDIFF, or...

16 August 2023 9,321 6 View