<div dir="ltr"><div><div>Dear QE community,<br><br>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 <span>vc-relax</span>
calculation to obtain relaxed lattice parameters, which I then used in
my SCF input. However, the SCF output indicates "No symmetry found,"
despite setting <span>ibrav=6</span> (tetragonal symmetry). I expected QE to recognize the symmetry based on the structure.<br></div><div><p>The point group is identified as <span>C_1 (1)</span>
with only the identity operation, which suggests QE isn’t detecting the
expected tetragonal symmetry (P4mm space group). I have attached the <a href="https://drive.google.com/drive/folders/1m2z9bF6pdf1q9_59b77i4FjSo4wua4-j?usp=sharing">link</a> for SCF input and output
files for your reference. Any insights or suggestions on ensuring
symmetry is recognized would be greatly appreciated.</p></div>link: <span style="color:rgb(0,0,255)"><a href="https://drive.google.com/drive/folders/1m2z9bF6pdf1q9_59b77i4FjSo4wua4-j?usp=sharing">https://drive.google.com/drive/folders/1m2z9bF6pdf1q9_59b77i4FjSo4wua4-j?usp=sharing</a> </span><br></div><br><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><b><font><font>Best Regards</font></font></b></div><div><span style="color:rgb(68,68,68)"><span style="background-color:rgb(255,255,255)"><font><font>Zimmi Singh</font></font></span></span></div><div><span style="color:rgb(68,68,68)"><span style="background-color:rgb(255,255,255)"><i><font><font>Research_Scholar <br></font></font></i></span></span></div><div><span style="color:rgb(68,68,68)"><i>Department of Metallurgical and Materials Engineering<br>
Indian Institute of Technology
Kharagpur, India</i></span></div><div><font><font><br></font></font></div></div></div></div>