[Pw_forum] No symmetry found

efi dwi indari efidwiindari at gmail.com
Fri Oct 23 15:01:40 CEST 2015


Dear all,

Currently I am calculating the electronic structure of Hybrid Perovskite
solar cells. The actual structure is tetrahedral but according to a
reference it can be approximated with simple cubic structure. Thus, I set 5
high symmetry k-points (gamma, X, M, R, and again gamma) in the input file.
When I run the program, I got 'no symmetry found' notification in the
output file.

After a short discussion with my colleague, the choice of the k-point could
lead to this error. Then, I deleted the gamma k-points since there was an
error led by gamma k-points in the previous calculation. However, I still
got the same error message.

I have googled the problem and I found this
http://qe-forge.org/pipermail/pw_forum/2011-August/096070.html
and this
http://qe-forge.org/pipermail/pw_forum/2011-August/096074.html

Yet, I am sorry, I could not get the solution from the later link. .

Below attached my files (both input and output) to have an idea about my
system.

Thank you in advance. Any help would be really appreciated.

Efi Dwi Indari
Institut Teknologi Bandung
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