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McStasMcXtrace / iFit

a simple library to analyze data (with McCode and Phonons/DFT hooks). :warning: this project has been moved to https://gitlab.com/soleil-data-treatment/soleil-software-projects/remote-desktop
http://ifit.mccode.org
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Treat: Phonon: DOS: compute gDOS from partials ? #98

Open farhi opened 7 years ago

farhi commented 7 years ago

Look into intensity pre-factor to compute the gDOS from the partials when used on a 4D S(q,w).

farhi commented 6 years ago

for partial DOS per atom 'i', see Reichardt Eq (2.9) p 4 see also: Schober JNR 2014 Eq (9.105) g_i(hw) = sum_j |e_i,j|^2 delta(hw - hw_j(q)) i.e. we weight the DOS with polarisation vector norms per atom