LCALCPOL

LCALCPOL = .TRUE. | .FALSE.
Default: LCALCPOL = .FALSE.

Description: LCALCPOL=.TRUE. switches on the evaluation of the Berry phase expressions for the macroscopic electronic polarization in accordance with the so-called Modern Theory of Polarization.

For LCALCPOL=.TRUE., VASP calculates the electronic contribution to the polarization, along the three reciprocal lattice vectors G_i, i=1,2,3, (i.e. Σ³_i=1 P·G_i) in a single run (unlike LBERRY=.TRUE.).

Related Tags and Sections

LCALCEPS, EFIELD_PEAD, LPEAD, IPEAD, LBERRY, IGPAR, NPPSTR, DIPOL, Berry phases and finite electric fields

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