PERIODIC_EFIELD

Section can be repeated.

References: Souza2002, Umari2002

parameters for finite periodic electric field computed using the Berry phase approach. IMPORTANT: Can only be used in combination with OT. Can not be used in combination with RTP or EMD, e.g. RESTART_RTP has to be .FALSE. when restarting the job. [Edit on GitHub]

Keywords

• DISPLACEMENT_FIELD

• D_FILTER

• INTENSITY

• POLARISATION

Keyword descriptions

DISPLACEMENT_FIELD: logical = F

Lone keyword: T

Usage: DISPLACEMENT_FIELD T

References: Stengel2009

Use the displacement field formulation. [Edit on GitHub]

D_FILTER: real[3] = 1.00000000E+000 1.00000000E+000 1.00000000E+000

Usage: D_FILTER 1.0 0.0 0.0

Filter for displacement field (x,y,z-dirction) [Edit on GitHub]

INTENSITY: real = 0.00000000E+000

Usage: INTENSITY 0.001

Intensity of the electric field in a.u [Edit on GitHub]

POLARISATION: real[3] = 0.00000000E+000 0.00000000E+000 1.00000000E+000

Usage: POLARISIATION 0.0 0.0 1.0

Polarisation vector of electric field [Edit on GitHub]