EFIELD

Section can be repeated.

Parameters for finite, time dependent electric fields. For time dependent propagation in periodic systems, set DFT%REAL_TIME_PROPAGATION%VELOCITY_GAUGE to true. For static fields use EXTERNAL_POTENTIAL. [Edit on GitHub]

Subsections

Keywords

Keyword descriptions

AMPLITUDE

Type: real
Default: 0.00000000E+000 [Vm-1]
Usage: AMPLITUDE [Vnm-1] 1.06

Description: Amplitude of the electric field of the light wave. One can specify either INTENSITY or AMPLITUDE. An error will be raised if both are specified.

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ENVELOP

Type: enum
Default: CONSTANT
Usage: ENVELOP CONSTANT

Description: Shape of the efield pulse used in real-time propagation (RTP) calculations.

Valid values:

  • 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

  • CUSTOM A custom field read from a file

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INTENSITY

Type: real
Default: 0.00000000E+000
Usage: INTENSITY 0.001

Description: Intensity of the electric field. For real-time propagation (RTP) calculations, the intensity is in \(\mathrm{W/cm^2}\). The corresponding peak electric field amplitude \(E_0\) in atomic units (\(E_H/a_B \approx 82.4\,\mathrm{V/nm}\)) is \(E_0 = \sqrt{I\,[\mathrm{W/cm^2}]\;/\;(3.5094410 \cdot 10^{16})} \cdot E_H/a_B\), derived from the atomic unit of energy flux \(I_0 = cE_H^2/(8\pi)\) and the relation \(I = E_0^2\) in atomic units. For a constant local field in an isolated-system calculation, units are in a.u. In place of intensity, AMPLITUDE can be provided.

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PHASE

Type: real
Default: 0.00000000E+000
Usage: Phase 1.E0

Description: Phase offset of the cosine given in multiples of pi. Used in real-time propagation (RTP) calculations.

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POLARISATION

Type: real[3]
Default: 0.00000000E+000 0.00000000E+000 1.00000000E+000
Usage: POLARISATION 0.0 0.0 1.0

Description: Polarisation vector of electric field

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VEC_POT_INITIAL

Type: real[3]
Default: 0.00000000E+000 0.00000000E+000 0.00000000E+000
Usage: vec_pot_initial 1.0E-2 0.0 0.0

Description: Initial value of the vector potential (for velocity gauge). This input is made especially for restarting RTP calculation. Unit is atomic unit. Note that if several field sections are defined, only the first one will be used.

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WAVELENGTH

Type: real
Default: 0.00000000E+000 [nm]
Usage: Wavelength 1.E0

Description: Wavelength of efield field for real-time propagation (RTP) calculations.

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