Section EFIELD

• parameters for finite, time dependent, nonperiodic electric fields

• 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
  • 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

  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]