[CPMD-list] Phonon linear response calculation question

[mkosmows]

Dear CPMD Community:

I have been studying a system that gives a good geometry optimization, without 
negative frequencies using finite differences for vibrational analysis.  
However, when I try to perform a vibrational analysis by linear response, I 
see several messages: WARNING! First order density integral (R space) 
n.xxxEdd, where dd ranges from -6 to -8, and the system fails to converge.

What should I try to do to get the linear response to converge?

Thank you,

Mark Kosmowski
Graduate Student
Chemistry Department
Syracuse University