The CP2K project : input section EFIELD

Section EFIELD

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%EFIELD.

parameters for finite electric fields. This section can be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

INTENSITY
EFIELD_STRENGTH 1.0E15
Intensity of the electric field in W*cm-2 which corresponds to a maximal amplitude in a.u. of sqrt(I/(3.50944*10^16))
This optional keyword expects a real. Default value: 0.0000000000000000E+00
POLARISATION
EFIELD_POLARISIATION 0.0 0.0 1.0
Polarisation vector of efield field
This optional keyword expects precisely 3 reals. Default value: 0.0000000000000000E+00 0.0000000000000000E+00 1.0000000000000000E+00
WAVELENGTH
Wavelength 1.E0
Wavelength of efield field
This optional keyword expects a real. Default unit: [nm], default value: 0.0000000000000000E+00 nm
PHASE
Phase 1.E0
phase offset of the cosine given in multiples of pi
This optional keyword expects a real. Default value: 0.0000000000000000E+00
ENVELOP
ENVELOP CONSTANT
Shape of the efield pulse
This optional keyword expects a keyword. Default value: CONSTANT
valid keywords:
  • CONSTANT: No envelop function is applied to the strength
  • GAUSSIAN: A Gaussian function is used as envelop
  • RAMP: Linear tune in/out of the field
BERRY_PHASE
BERRY_PHASE ON/OFF
Berry phase not yet implemented
This optional keyword expects a logical. Default value: F


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