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bug report in subroutine MLWF_WANNIER90_AMN in sources/CSC-mods/vasp/mlwf.F #5

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yuechm opened this issue Mar 1, 2022 · 0 comments

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@yuechm
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yuechm commented Mar 1, 2022

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

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