Dear member,
I have calculate DDB at gamma point and trying to get thermal property, setting ifcflag, and thermal flag.
DDB is missing kind of message is being displayed. is there any way out to calculate thermal property using res. calculation at gamma point only.
Santosh
anaddb: problem with ngqpt
Moderators: MMNSchmitt, gonze
Re: anaddb: problem with ngqpt
please provide input, output and error message - we can not guess what is going wrong. In principle, yes, you can calculate things even with just q=Gamma...
Matthieu
Matthieu
Matthieu Verstraete
University of Liege, Belgium
University of Liege, Belgium