Can we use DDB to calculate phonons when using PAW and GGA+U
Posted: Sun Jan 01, 2012 7:40 pm
Dear all,
I'm relatively new to abinit. I find that abinit is quite convenient when computing the phonon structure by means of DDB. But I want to calculate some materials which need DFT+U. Is DDB method still working in this case? In other words, is the PAW potential I need the only issue here?
Thanks and happy new year,
Yuanjun
I'm relatively new to abinit. I find that abinit is quite convenient when computing the phonon structure by means of DDB. But I want to calculate some materials which need DFT+U. Is DDB method still working in this case? In other words, is the PAW potential I need the only issue here?
Thanks and happy new year,
Yuanjun