[CPMD-list] vibrations at 0 wavenumbers

[Jenn]

Hi all-
I was wondering if anyone had any experience with this type of problem.  I am using the HCTH functional to calculate vibrational spectra of several organic based charge transfer complexes, such as TCNQ and anthracene.  The geometry converges fine but when I do the vibrational analysis I get a lot of 0 wavenumber transitions ( approximately 60).  The strange thing is that this problem only occurs when I use the FD analysis, and not the LR analysis.  I haven't yet been able to test this problem on other systems to see if similar problems occur.  Has anyone encountered this before?

Thanks.
Jenn Ciezak
Syracuse University
Dept of Chemistry
Syracuse, NY 13244
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