Dear Wien2k community,
I would like to calculate phonon dispersion in a wurtzite system. What
convergence values (-ec , -cc and -fc) do you suggest to perform the
structure optimization before the forces calculation in the distorted cells
? And for these forces calculation ?
Just a curiosity, when optimizing internal parameters with MSR1a, does
"tolf" (case.inM) have any effect ?
All the best,
Luis
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