Section EFIELD

• 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.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / EFIELD

• This section can be repeated.

• Subsections

  • CONSTANT_ENV
  • CUSTOM_ENV
  • GAUSSIAN_ENV
  • RAMP_ENV

• Keywords

  • ENVELOP
  • INTENSITY
  • PHASE
  • POLARISATION
  • VEC_POT_INITIAL
  • WAVELENGTH

• Keyword descriptions

  ENVELOP
  	ENVELOP {Keyword}
  	Shape of the efield pulse used in real-time propagation (RTP) calculations.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: CONSTANT
  	List of valid keywords: CONSTANT No envelop function is applied to the strength CUSTOM A custom field read from a file GAUSSIAN A Gaussian function is used as envelop RAMP Linear tune in/out of the field

  INTENSITY
  	INTENSITY {Real}
  	Intensity of the electric field. For real-time propagation (RTP) units are in W*cm-2 which corresponds to a maximal amplitude in a.u. of sqrt(I/(3.50944*10^16)). For a constant local field in isolated system calclulations, units are in a.u..
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  PHASE
  	PHASE {Real}
  	Phase offset of the cosine given in multiples of pi. Used in real-time propagation (RTP) calculations.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  POLARISATION
  	POLARISATION {Real} {Real} {Real}
  	Polarisation vector of electric field
  	This keyword cannot be repeated and it expects precisely 3 reals.
  	Default values: 0.00000000E+000 0.00000000E+000 1.00000000E+000

  VEC_POT_INITIAL
  	VEC_POT_INITIAL {Real} {Real} {Real}
  	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.
  	This keyword cannot be repeated and it expects precisely 3 reals.
  	Default values: 0.00000000E+000 0.00000000E+000 0.00000000E+000

  WAVELENGTH
  	WAVELENGTH {Real}
  	Wavelength of efield field for real-time propagation (RTP) calculations.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000
  	Default unit: [nm]