Dear Minkyu Park, Thanks for your suggestion.
I was indeed able to reproduce the issue (example11 of wannier90): 1) Reference mpirun -np 8 pw2wannier90.x -in silicon.pw2wan mpirun -np 8 ../../wannier90.x silicon.win Omega I = *20.717087947* 2) fourier para mpirun -np 8 pw2wannier90.x -nt 2 -in silicon.pw2wan mpirun -np 8 ../../wannier90.x silicon.win Omega I = *20.717087947* 3) band para mpirun -np 8 pw2wannier90.x -nb 2 -in silicon.pw2wan mpirun -np 8 ../../wannier90.x silicon.win Omega I = * -425.574563848* I therefore added an error message as you suggested and made a merge request to the GitLab of Quantum Espresso: https://gitlab.com/QEF/q-e/-/merge_requests/820 Best wishes, Samuel -- ------------------------------------------------------------------------------------------------ Dr. Samuel Poncé Laboratory of theory and simulation of materials Ecole polytechnique fédérale de Lausanne Switzerland Phone: +41 21 693 50 10 email: [email protected] web: https://people.epfl.ch/samuel.ponce/?lang=en ------------------------------------------------------------------------------------------------
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