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Added the possibility to convolute with a pseudo-voigt function (as used in ixs experiments) still to be improved. Convolutions is done by FFT which seems to be very efficient, also an alternative subroutine to convolute in reasl space is available, it only convolutes arounf +/- 10 FWHM of the pseudo-voigt which is usually not enough for the long tails.

This also made me realize that the neutron scattering convolution probably contains some mistakes (to be checked) on top of being hard-coded for SnTe

paulatz 2018-04-04

changed /trunk/D3Q/thermal2/PROGRAM_sqom.f90