[QE-users] Splitting Hubbard U directory question

Vahid Askarpour vh261281 at dal.ca
Sun Nov 21 13:29:10 CET 2021


In case anyone might be trying this, I ended up creating two self-consistent folders and ran step1.in in one and step2.in in the other. 

Cheers,
Vahid

> On Nov 20, 2021, at 7:07 PM, Vahid Askarpour <vh261281 at dal.ca> wrote:
> 
> Dear QE community,
> 
> In the HP/examples/example07, the scf.in, step1.in and step2.in have the same outdir as stated in the HP documentation which in this case is
> 
> outdir='/scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/tempdir/'
> 
> But when I run step1.in and step2.in at the same time in the outdir or in separate folders, only one HP subfolder is create in the outdir where step1 and step2  jobs both write to this HP subfolder. How do I create different HP subfolders for step1.in and step2.in?
> 
> Thank you,
> Vahid
> 
> Vahid Askarpour
> Department of physics and atmospheric science
> Dalhousie University
> Halifax, NS
> CANADA
> 
> 
> 
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



More information about the users mailing list