band decomposed charge density

[Kitaura]

Dear vasp users.

I want to generate CHGCAR and PARCHG file by using 'LPARD=.TRUE.'.
CHGCAR file generated after scf convergence is seem to be OK. However, CHGCAR file generated by using 'LPARD=.TRUE.' is nonsense, which is completely different from CHGCAR file generated right after convergence.
Dose anyone know how to resolve this phenomena?

Any comments and advices are greatly appreciated.

Thanks in advance.

[Kitaura]

Dear vasp users,

When I use ISTART=1 and ICHARG=1, generated CHGCAR and PARCHG file is OK. However, when I use ISTART=0 and ICHARG=2, generated CHGCAR and PARCHG is nonsense. I don’t know why. But anyway, now I can generate proper CHGCAR and PARCHG files.

[admin]

the feature to calculate the band-decomposed charge denisties is a feature which must only be used for post-production , i.e. starting from a converged WAVECAR file (ISTART=1 or 2): if LPARD is set, the calculation stops before the loop of the electronic scf procedure is started. Hence, if you start with ISTART=0, the charge density written on CHGCAR is the charge density corresponding to the randomly initialized wavefunctions (which are certainly nonsense)
---> if you have in mind to do decomposed charge densities, please always keep the WAVECAR file of the scf run to start from, vasp will just pick the (selected) states from that file to compose the (partial) charges.