[gpaw-users] Relax unit cell in LCAO mode

[Maxim Skripnik]

Hello,

I try to get electron phonon coupling constants for several systems. 
Therefore I first want to relax the system, including its unit cell. But 
this seems to be impossible in the LCAO mode since the stress tensor can 
only be calculated in the PW mode. However, the electron phonon part in 
GPAW relies on the LCAO mode. So it must be somehow possible to relax 
the system in the LCAO mode. How can I do that?

Regards
Maxim Skripnik
AG Pauly
FB Physik
University of Konstanz