LVHAR
LVHAR = [logical]
Default: LVHAR = .FALSE.
Description: Determines whether the local potential [math]\displaystyle{ V_{\text{ionic}}(\mathbf{r}) +V_{\text{hartree}}(\mathbf{r}) }[/math] (in eV) is written to the LOCPOT file.
[math]\displaystyle{ V_{\text{ionic}}(\mathbf{r})+V_{\text{hartree}}(\mathbf{r}) = V_{\text{ionic}}(\mathbf{r}) + \int \frac{n(\mathbf{r'})}{|\mathbf{r}-\mathbf{r'}|}d\mathbf{r'} }[/math]
where [math]\displaystyle{ V_{\text{ionic}}(\mathbf{r}) }[/math] is the ionic potential as mimicked by the pseudopotentials and [math]\displaystyle{ V_{\text{hartree}}(\mathbf{r}) }[/math] is the Hartree potential.
The local potential is written to the LOCPOT file and hence to the same file as the local potential for LVTOT=T. Carefully check that the LOCPOT file contains the potential you expect. WRT_POTENTIAL also gives access to the ionic and Hartree potentials and offers more options.
| Warning: Setting LVHAR=True will set LVTOT=False. |
See LOCPOT to find out how to write [math]\displaystyle{ V_{\text{ionic}}(\mathbf{r}) +V_{\text{hartree}}(\mathbf{r}) }[/math] in VASP < 5.2.12.
Related tags and articles
Computing the work function, LVTOT, LOCPOT, WRT_POTENTIAL, LVACPOTAV