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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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
