Dear QE community, I’m encountering an issue with symmetry detection in my SCF and NSCF calculations for a 2D carbon allotrope using Quantum ESPRESSO (v.6.8). I’ve performed a vc-relax calculation to obtain relaxed lattice parameters, which I then used in my SCF input. However, the SCF output indicates "No symmetry found," despite setting ibrav=6 (tetragonal symmetry). I expected QE to recognize the symmetry based on the structure.
The point group is identified as C_1 (1) with only the identity operation, which suggests QE isn’t detecting the expected tetragonal symmetry (P4mm space group). I have attached the link <https://drive.google.com/drive/folders/1m2z9bF6pdf1q9_59b77i4FjSo4wua4-j?usp=sharing> for SCF input and output files for your reference. Any insights or suggestions on ensuring symmetry is recognized would be greatly appreciated. link: https://drive.google.com/drive/folders/1m2z9bF6pdf1q9_59b77i4FjSo4wua4-j?usp=sharing -- *Best Regards* Zimmi Singh *Research_Scholar * *Department of Metallurgical and Materials Engineering Indian Institute of Technology Kharagpur, India*
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