What I want to do with the Wannier functions is the generation of orbital angular momentum and spin operators,
so I need the eig.hdf file to keep the phases of wave functions.
Therefore, in this context, I need all documents contained in the section "Employing Wannier functions" on the FLEUR website:
In addition, I also tried to generate WF1.amn and WF1.mmn files with the hybrid.h5 file in order to interpolate the band structure,
but the FLEUR was stopped with the segmentation fault error.
Signal 11 detected on PE: 0
FLEUR tried an illegal memory access.
This might indicate a bug, or your calculation
failed because you were running out of memory
Please check and report if you believe you found a bug
Rank:0 used 6.352 0.800 GB/ 6660264 kB
Last known location:
Last timer:add_vnonlocal
Timerstack:
Timer:Setup of H&S matrices
Timer:eigen
Timer:H generation and diagonalization (total)
Timer:Iteration
Timer:Total Run
*****************************************
This error seems to occur when trying to start FLEUR with the previously calculated hybrid.h5 file.
Is there any solution to avoid this error?