[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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