ABINIT Discussion Forums

Hi everyone,

I'm trying to do PAW+U a phonon calculation at Gamma. The ground-state calculation works fine, but the following d/dk calculation stops with an error I don't understand. (I did the same calculation with pseudopotentials before, where it worked.) I attached the input and log. (GS WFK is read from disk.)

Hope, you can help me.
Thanks in advance,

Silvia

I'm trying to do PAW+U a phonon calculation at Gamma

Phonon computation with PAW is not yet open for users (all the more with +U)... It is still "under construction".
Single ddk calculation is possible (as well as response to electric field).

Thank you for your quick response.
Is there a possibility to do LDA+U phonons with pseudopotentials? All I found on abinit.org considered PAW+U.

Thanks, Silvia