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I find there is a bug in the subroutine MLWF_WANNIER90_AMN in sources/CSC-mods/vasp/mlwf.F .
You forgot to allocate M_matrix which will cause a segment fault error.
You can just fix the bug by adding after the line #541 in sources/CSC-mods/vasp/mlwf.F
ALLOCATE(M_matrix(num_bands,num_bands,nntot,num_kpts,WDES%ISPIN))
and by adding after the line #918.
DEALLOCATE(M_matrix)
Best,
Changming Yue
The text was updated successfully, but these errors were encountered:
Dear developer,
I find there is a bug in the subroutine MLWF_WANNIER90_AMN in sources/CSC-mods/vasp/mlwf.F .
You forgot to allocate M_matrix which will cause a segment fault error.
You can just fix the bug by adding after the line #541 in sources/CSC-mods/vasp/mlwf.F
ALLOCATE(M_matrix(num_bands,num_bands,nntot,num_kpts,WDES%ISPIN))
and by adding after the line #918.
DEALLOCATE(M_matrix)
Best,
Changming Yue
The text was updated successfully, but these errors were encountered: