Dear pwscf users, When I perform relaxing calculation (calculation ='relax' and ion_dynamics ='bfgs'), I encounter a problem related to symmetry. The error information is as following. But the scf calculation is OK. My system is a spinel structure (F-3dm). %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from checkallsym error # 2 symmetry operation not satisfied %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
How to solve this problem? I would appreciate your help. Best regards, Chaohao ============================================================ Dr. Chaohao Hu Institute of Metal Research, Chinese Academy of Sciences--IMR Wenhua Road, 72 110016, Shenyang, Liaoning (China) Phone: +86-024-23971641 Email: chhu at imr.ac.cn
