Hi:<div> I want to compute the IR and Raman spectrum. I use input files which are given on "<a href="http://brehm-research.de/files/spec_tutorial_2018.pdf">brehm-research.de/files/spec_tutorial_2018.pdf</a>". But I don't unstand the mean of "field-free run", and how to display in inp file. I guess "field-free run" means the deleting the module of PERIODIC_EFIELD in inp file. It is right?</div><div>&PERIODIC_EFIELD<br>INTENSITY 5.0E-3<br>POLARISATION 1.0 0.0 0.0<br>&END PERIODIC_EFIELD<br>&PRINT<br>&E_DENSITY_CUBE<br>STRIDE 1 1 1<br>FILENAME =result.cube<br>APPEND<br>&END<br>&END PRINT
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