[ase-users] VaspChargeDensity_write

[Qijing Zheng]

Hi

I was using VaspChargeDensity to read/write VASP CHGCAR file, and I found
out
that the default output format for the coordinates part is NOT vasp5
format, as can
be seen in the source code :

        https://gitlab.com/ase/ase/blob/master/ase/calculators/vasp/vasp.py
        for ii, chg in enumerate(self.chg):
            if format == 'chgcar' and ii != len(self.chg) - 1:
                continue  # Write only the last image for CHGCAR
            aiv.write_vasp(f, *self.atoms[ii], direct=True,
long_format=False*)

This could cause a problem when using VESTA to view the resulting charge
density
file, as there is no symbol line to tell VESTA what the atoms are. I think
maybe the
format can be changed to vasp5 to avoid this problem.

Best
Qijing
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