lanshuyue
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lanshuyue
@kirk0830 yes, i think it's quite similar.
> > @kirk0830 yes, i think it's quite similar. > > @lanshuyue if so, I think I would suggest you should relax both side of slab, increasing the thickness of...
First, I reproduced your calculation process. The program encountered an error after the SCF calculation completed (without convergence). Regardless of the scf_nmax setting (1/10/200 steps), a segmentation fault occurs after...