[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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