[Pw_forum] ph.x - nat_todo option: 13 ions to be displaced, but 243 modes calculated

[Antonio]

Dear all,

I'm running a phonon calculation (at gamma point) for a system containing
81 ions (243 modes), but allowing the displacement of only 13 ones (in
order to check out this approximation for my system). According to the
output file, there are 39 modes to be done. So, what do other frequencies
shown mean?

The ph.x input and output files are in attached.

Thanks in advance.

-- 
Antônio M. Da Silva Jr. (PhD student)
Nucleus of studies in computational chemistry (NEQC)
Department of Chemistry
Federal *University of Juiz de Fora* (UFJF) - Brazil
http://lattes.cnpq.br/0895213089855328
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