get_charge_density¶

atomate2.vasp.jobs.approx_neb.get_charge_density(prev_dir, use_aeccar=False)[source]¶

Get charge density from a prior VASP calculation.

Parameters:

prev_dir (str or Path) – Path to the previous VASP calculation
use_aeccar (bool = False) – True: use AECCAR0 and AECCAR2 (pseudo-all electron charge density) rather than CHGCAR (valence electron density only - False)

Return type:

pymatgen Chgcar object