LVTOT

LVTOT = [logical]
Default: LVTOT = .FALSE. 

Description: LVTOT determines whether the total local potential $V_{\text{LOCPOT}}(\mathbf {r} )$ (in eV) is written to the LOCPOT file

$V_{\text{LOCPOT}}(\mathbf {r} )=V(\mathbf {r} )+\int {\frac {n(\mathbf {r'} )}{|\mathbf {r} -\mathbf {r'} |}}d\mathbf {r'} +V_{\text{XC}}(\mathbf {r} )$

where $V(\mathbf {r} )$ is the ionic potential, the second term is the Hartree potential and $V_{\text{XC}}(\mathbf {r} )$ is the exchange-correlation potential.

If LVTOT=.TRUE., the sum of the ionic, Hartree, and exchange-correlation potential is written to the LOCPOT file. Please also read the section on the tag LVHAR for further information.

Examples that use this tag

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