[Pw_forum] Fwd: phononi
Maksim Markov
maksim.markov at polytechnique.edu
Fri Jul 4 17:00:59 CEST 2014
Dear Masoud Avi,
Your scf calculations are not converged. You have an extremely small value
of smearing parameter and too small grid of k points.
Please, choose a reasonable values of parameters in calculations.
Best regards,
Maksim Markov, Doctorant
Laboratoire des Solides Irradies
Ecole Polytechnique
Route de Saclay
91128 Palaiseau
tel: +33 1 69 33 44 97
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