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Fix: fix a bug of out_mat_dh #6283

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Merged
merged 1 commit into from
Jun 9, 2025
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Fix: fix a bug of out_mat_dh #6283

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4 changes: 2 additions & 2 deletions source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -351,8 +351,8 @@ void Gint_k::cal_dvlocal_R_sparseMatrix(const int& current_spin,
const int it2 = ucell.iat2it[iat2];
const Atom* atom1 = &ucell.atoms[it1];
const Atom* atom2 = &ucell.atoms[it2];
const int start1 = ucell.itia2iat(it1, ucell.iat2ia[iat1], 0);
const int start2 = ucell.itia2iat(it2, ucell.iat2ia[iat2], 0);
const int start1 = ucell.itiaiw2iwt(it1, ucell.iat2ia[iat1], 0);
const int start2 = ucell.itiaiw2iwt(it2, ucell.iat2ia[iat2], 0);

for (int ir = 0; ir < ap.get_R_size(); ir++)
{
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