The usual stdout of the image 02, 03,……, number of images is redirected to the files 02/stdout, 03/stdout etc. (Only image 01 writes to the usual stdout). What is the meaning in details? Thank you very much.
Another question: I set EDIFFG=-0.03 in the INCAR, the forces of OUTCAR in image 01 has <0.03, but the calculation goes on instead of stopping. Why? Many thanks.
stdout
Moderator: moderators
Re: stdout
Right, only one image is designated to write the stdout information.
The EDIFFG criterion must be satisfied by all images for the calculation to be considered converged. Even if an image is within the convergence criterion at one iteration, it may be jostled by its neighboring images and have to converge further at a later iteration.
The EDIFFG criterion must be satisfied by all images for the calculation to be considered converged. Even if an image is within the convergence criterion at one iteration, it may be jostled by its neighboring images and have to converge further at a later iteration.