Dear all,
Following the discussion in viewtopic.php?f=13&t=102 I managed to calculate EELS spectra with Q outside the 1st BZ and along the reciprocal lattice axes. I have some experimental data where some of the Q vectors are such that e.g. Q||x is outside the 1st BZ and Q||z is within the 1st BZ. Is it possible to calculate the loss function with Q as described above with yambo?
For example I picked a q vector of (-0.4,0,-0.1), set Qdirection to (-4,0,1) and varied qshiftorder from 0 to 2. qsorder 0 and 1 produce the same spectrum and 2 just starts the calculation and exits. The output file name for qsorder=1 did not add a G to the file name either.
BR,
Kari Ruotsalainen
Large Q loss function for Q not along RL axes
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kruotsalainen
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Large Q loss function for Q not along RL axes
Department of Physics
University of Helsinki
University of Helsinki