Dear QE community, I am facing an error during a bands calculation in pw.x. I did an scf and nscf for the system. Then, while using doing bands, I am getting the following error:
Error in routine angle_rot (1):
problem with the matrix
Could anyone please tell me why I am getting this error and how I can fix
the issue? I am attaching the input files for scf, nscf, bands.
--
Regards,
Sunil Choudhary
Junior Research Fellow
DMSE, IIT Delhi
Mg3Bi2.nscf.in
Description: Binary data
Mg3Bi2.bands.in
Description: Binary data
Mg3Bi2.scf.in
Description: Binary data
Mg3Bi2.bands.out
Description: Binary data
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
