The ABINIT Users Mailing List ( CLOSED )

[sebastien.hamel@umontreal.ca]

Dear Prof. Gonze,

 I was wondering if anaddb could handle the calculation of the phonon spectrum
 of a molecule with a partly optimized/partly contrained geometry.

 How should it react to an uncomplete DDB?

 From what I can see,aznaddb returns 0 for every values if the DDB is used as 
is.
 Should I try padding the DDB with zeroes? It seems like anaddb gets tired of 
outputting read error (tries to read the
 missing parts of the DDB).

 Thanks,
 Sebastien Hamel