diff --git a/src/module.f90 b/src/module.f90 index 429e287e..ed0e58b0 100644 --- a/src/module.f90 +++ b/src/module.f90 @@ -941,7 +941,7 @@ module para real(dp), allocatable :: Rmn_new(:) real(dp), allocatable :: irvec_new(:) integer, allocatable :: irvec_new_int(:) - integer, allocatable :: nrpts_surfacecell + integer :: nrpts_surfacecell real(dp),public, save :: Rua_newcell(3) !> three rotated primitive vectors in old coordinate system real(dp),public, save :: Rub_newcell(3) !> three rotated primitive vectors in old coordinate system diff --git a/src/readHmnR.f90 b/src/readHmnR.f90 index 5bd990e9..5d9d8b03 100644 --- a/src/readHmnR.f90 +++ b/src/readHmnR.f90 @@ -361,6 +361,7 @@ subroutine get_hmnr_cell(cell) allocate(Rmn_old(3)) allocate(Rmn_new(3)) + allocate(irvec_new(3)) allocate(irvec_new_int(3)) ! call cart_direct_real(shift_to_topsurface_cart, shift_vec_direct, cell%lattice)