[QE-users] Pw.x doesn't progress in supercell calculation

[Lorenzo Paulatto]

It is a relatively large system, with little symmetry and several 
k-points. And it looks like you are running on windows (i.e. not in 
parallel on a supercomputer). My guess, it that it is just too slow for 
you computer: either it run out of memory and started swapping on disk, 
or it is just slow.

A part from that, your value of ecutrho looks funny.

cheers

On 17/11/2020 09:37, Riki Suemasa wrote:
> Dear all,
> 
> I'm trying 4x4x1 supercell slab calculation using attached inputfile.
> Pw.x doesn't make errors but output file doesn't progerss.
> I think this is caused by some basic issues...(nat, or k-point setting 
> in supercell ?) but I didn't find answer.
> I tried to reduce the number of atoms, but it didn't work.
> 
> I would appreciate if you reply.
> 
> Riki
> 
> _______________________________________________
> 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
> 

-- 
Lorenzo Paulatto - Paris