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
MAI_231015a.scf.out
Description: Binary data
MAI_231015a.scf.in
Description: Binary data
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