The old and the new charge density differ

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  • This is one of those strange warnings, that can eventually lead to VASP crashing. Setting ISYM = 0 is the only thing I have ever found to be working consistently.
  • If coinciding with a the warning: "WARNING: DENTET: can't reach specified precision", the response of the forum is:

the reason for this error message (DENTET) is that the Fermi level cannot be determined accurately enough by the tetrahedron method (i.e, the integrated DOS stays different from the number of valence electrons) please try (one of) the following:

- choose a different BZ integration scheme (ISMEAR)

- if you want or have to keep the tetrahedron integration,

-- increase the number of k-points (mind that Gamma has to be included in the k-mesh) (I have found this to work in at least one case)

-- increase NEDOS