[Pw_forum] why phonon calc stops at the first mode
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Fri Jul 15 18:18:58 CEST 2005
Hi,
>
> Pert. # 1: Fermi energy shift (Ryd) =
> -0.0590 0.0000
> iter # 51 total cpu time : 71859.1 secs
> av.it.: 13.5
> thresh= 0.100E-01 alpha_mix = 0.700
> |ddv_scf|^2 = 0.217E+02
>
Just decrease alpha_mix for phonon calculations, i.e.
in *.phG.in file add
alpha_mix(1)=0.1
By default alpha_mix=0.7
Bests,
Eyvaz.
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