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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.


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