[Pw_forum] Phonon calculations - separating modes

Sheena Shah sheena.shah at materials.ox.ac.uk
Mon Mar 29 19:43:21 CEST 2010


Dear all

I am trying to run a phonon calculation (ph.x) by splitting up the modes into different calculations using start_irr and last_irr.  I am having troubles in the recombination process to create a phonon dispersion.  The frequencies are correct but I am unable to use the potential file (dv1) for  doing electron phonon coupling calculations.  Can someone please help me with this?

Many thanks

Sheena Shah
University of Oxford
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