On Wed, 08 Feb 2012 12:04:00 +0100, Ij?s Mari <mari.ijas at aalto.fi> wrote: > Atomic displacements: > There are 2 irreducible representations > > Representation 1 3 modes -A_1g G_1 G_1+ To be done > > Representation 2 3 modes -A_1g G_1 G_1+ To be done
Dear Ij?s, the cutoff you are using is extremely high, are you sure you're not just running out of memory? Have you tried running with lower cutoffs and got the some error? Anyway, gfortran often miscompiles the phonon code, which version are you using? bests -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
