LCALCPOL: Difference between revisions
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== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|LCALCEPS}}, | {{TAG|LCALCEPS}}, | ||
{{TAG|EFIELD_PEAD}}, | {{TAG|EFIELD_PEAD}}, | ||
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{{TAG|IGPAR}}, | {{TAG|IGPAR}}, | ||
{{TAG|NPPSTR}}, | {{TAG|NPPSTR}}, | ||
{{TAG|DIPOL}} | {{TAG|DIPOL}}, | ||
[[Berry_phases_and_finite_electric_fields|Berry phases and finite electric fields]] | |||
---- | ---- | ||
[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Berry phases]] | [[Category:INCAR]][[Category:Berry phases]] | ||
Revision as of 11:29, 19 March 2011
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 Gi, i=1,2,3, (i.e. Σi P·Gi) 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