diff --git a/src/crystalmod@env.f90 b/src/crystalmod@env.f90 index d1f8059c..18336ee7 100644 --- a/src/crystalmod@env.f90 +++ b/src/crystalmod@env.f90 @@ -233,7 +233,7 @@ module subroutine list_near_atoms(c,xp,icrd,sorted,nat,eid,dist,lvec,ishell0,up2 else ib = (/modulo(ithis(1),c%nblock(1)), modulo(ithis(2),c%nblock(2)), modulo(ithis(3),c%nblock(3))/) lvecx = real((ithis - ib) / c%nblock,8) - lvecx = matmul(c%m_xr2c,real((ithis - ib) / c%nblock,8)) + lvecx = matmul(c%m_xr2c,lvecx) xdif = lvecx - xorigc end if