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

[Nicola Marzari]

On 17/11/2020 09:37, Riki Suemasa wrote:
> Dear all,
>

make a 1x1x1 cell. does it work? yes/no. 2x2x1? yes/no. 3x3x1? yes/no


             nic

> 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
>
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