Command GetPot

Comand format

GetPot

This comand computes the electron density, the static potential, and the correlation-polarization potential, V_(CP).

Data records used

• EngForm, potential energy formula. This data record can be created using the GenFormPhIon or GenFormScat commands.

Optional data records used

• VCorr, the type of correlation potential. If this record is not present, then no correlation-polarization potential is computed.
• AsyPol, definition of the asymptotic potential. If not present, then the corrlelation-polarization potential is not corrected to agree with the polarization potential due to the static polarizability of the molecule.

Data records created

• TotalAsymp, the total asymptotic polarizability. This record is created by asypol.

Examples of use

• test01