[Thermo_pw-forum] Restart interrupted run of phonon

Andrea Dal Corso dalcorso at sissa.it
Mon Jan 18 09:55:11 CET 2021


You can use the flags start_q, last_q of the phonon input
to compute the dynamical matrix of a subset of q points.

Andrea

Quoting BENYAHIA NEZHA <BENYAHIA-NEZHA at hotmail.fr>:

> Dear thermo-pw users,
> I have calculated the phonons of a supercell, everything was ok, it  
> has generated 3 dyn from 4 dyn. However, the calculation stopped at  
> the representation 66 of the dyn4 without any error.  I restarted  
> the interrupted run (the recover= .true. was already set in the  
> input of ph.x), it begin the calculation from representation 66, the  
> convergence has been achieved, however athe representation 67 it  
> generate the message saying that the convergence is not achieved. i  
> dont want to restart the calculation from scratch, i want only to do  
> the calculation only for dyn4. is there any command to add to do  
> that. please help me.
>
>
> Thank you very much in advance for your time.
>
>
> Sincerely yours





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