[QE-users] Error during bands calculation

[Sunil Choudhary]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230206/d502ddd8/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Mg3Bi2.nscf.in
Type: application/octet-stream
Size: 2102 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230206/d502ddd8/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Mg3Bi2.bands.in
Type: application/octet-stream
Size: 2427 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230206/d502ddd8/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Mg3Bi2.scf.in
Type: application/octet-stream
Size: 2099 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230206/d502ddd8/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Mg3Bi2.bands.out
Type: application/octet-stream
Size: 25230 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230206/d502ddd8/attachment-0003.obj>