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

• CONSTANT_ENV
• CUSTOM_ENV
• GAUSSIAN_ENV
• RAMP_ENV

Keywords

• AMPLITUDE

• ENVELOP

• INTENSITY

• PHASE

• POLARISATION

• VEC_POT_INITIAL

• WAVELENGTH

Keyword descriptions

AMPLITUDE: real = 0.00000000E+000 [Vm-1]

Usage: AMPLITUDE [Vnm-1] 1.06

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. [Edit on GitHub]

ENVELOP: enum = CONSTANT

Usage: ENVELOP CONSTANT

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

Shape of the efield pulse used in real-time propagation (RTP) calculations. [Edit on GitHub]

INTENSITY: real = 0.00000000E+000

Usage: INTENSITY 0.001

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. [Edit on GitHub]

PHASE: real = 0.00000000E+000

Usage: Phase 1.E0

Phase offset of the cosine given in multiples of pi. Used in real-time propagation (RTP) calculations. [Edit on GitHub]

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

Usage: POLARISATION 0.0 0.0 1.0

Polarisation vector of electric field [Edit on GitHub]

VEC_POT_INITIAL: real[3] = 0.00000000E+000 0.00000000E+000 0.00000000E+000

Usage: vec_pot_initial 1.0E-2 0.0 0.0

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. [Edit on GitHub]

WAVELENGTH: real = 0.00000000E+000 [nm]

Usage: Wavelength 1.E0

Wavelength of efield field for real-time propagation (RTP) calculations. [Edit on GitHub]