Skip to content

Commit 12acec2

Browse files
authored
fix a bug (#6283)
1 parent db9c16c commit 12acec2

File tree

1 file changed

+2
-2
lines changed

1 file changed

+2
-2
lines changed

source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -351,8 +351,8 @@ void Gint_k::cal_dvlocal_R_sparseMatrix(const int& current_spin,
351351
const int it2 = ucell.iat2it[iat2];
352352
const Atom* atom1 = &ucell.atoms[it1];
353353
const Atom* atom2 = &ucell.atoms[it2];
354-
const int start1 = ucell.itia2iat(it1, ucell.iat2ia[iat1], 0);
355-
const int start2 = ucell.itia2iat(it2, ucell.iat2ia[iat2], 0);
354+
const int start1 = ucell.itiaiw2iwt(it1, ucell.iat2ia[iat1], 0);
355+
const int start2 = ucell.itiaiw2iwt(it2, ucell.iat2ia[iat2], 0);
356356

357357
for (int ir = 0; ir < ap.get_R_size(); ir++)
358358
{

0 commit comments

Comments
 (0)