I have seen this topic pop up a few times now.
(Since I have been looking at this site as I have the same error.)
Indeed, I can see very large neg values in my AECCAR0 file.
Still, I used a standard VASP INCAR performing a SCF w LAECHG =.TRUE. (and doubling my initial
values of NGX, NGY, NGZ, from ...
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- Fri Jan 27, 2017 10:06 pm
- Forum: Bader
- Topic: ERROR: should be no new maxima in edge refinement
- Replies: 22
- Views: 395574