Greetings I am trying to optimize CoP (B31) orthorhombic unit cell with the following specifications : https://materialsproject.org/materials/mp-22270/ Hermann Mauguin <http://img.chem.ucl.ac.uk/sgp/large/062az1.htm>Pnma [62] Point Group mmm Hall -P 2ac 2n I checked this link but I didn't find the suitable ibrav option https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm199 Ibrav =0 broke the symmetry of the lattice
Please advise Thanks Malathe MSc in Materials science and engineering Khalifa University
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
