PESMaskPlaneWaveProjection

PESMaskPlaneWaveProjection

Section Time-Dependent::PhotoElectronSpectrum
Type integer
Default fft_map

With the mask method, wavefunctions in the continuum are treated as plane waves. This variable sets how to calculate the plane-wave projection in the buffer region. We perform discrete Fourier transforms (DFT) in order to approximate a continuous Fourier transform. The major drawback of this approach is the built-in periodic boundary condition of DFT. Choosing an appropriate plane-wave projection for a given simulation in addition to PESMaskEnlargeFactor and PESMask2PEnlargeFactorwill help to converge the results.

NOTE: depending on the value of PESMaskMode PESMaskPlaneWaveProjection, may affect not only performance but also the time evolution of the density.

Options:

• fft_out:
  FFT filtered in order to keep only outgoing waves. 1D only.
  
• fft_map:
  FFT transform.
  
• nfft_map:
  Non-equispaced FFT map.
  
• pfft_map:
  Use PFFT library.
  
• pnfft_map:
  Use PNFFT library.
  

 call parse_variable(namespace, 'PESMaskPlaneWaveProjection', PW_MAP_FFT, mask%pw_map_how)