fix: division by deg_R_point.

irukoa · Feb 6, 2024 · 2773697 · 2773697
1 parent 98ebaf5
commit 2773697
Showing 1 changed file with 8 additions and 12 deletions.
diff --git a/src/local_k_quantities.F90 b/src/local_k_quantities.F90
@@ -499,9 +499,8 @@ subroutine SsTC_get_hamiltonian(system, k, H, Nder_i, only_i)
 
           temp_res = temp_res + & !Compute sum.
                      ((cmplx_i)**Nder)*(prod_R)*exp(cmplx_i*kdotr)* &
-                     system%real_space_hamiltonian_elements(i_arr(1), i_arr(2), irpts) !&
-          !/real(system%deg_R_point(irpts), dp)
-          !TODO: Recheck the deg_R_points division.
+                     system%real_space_hamiltonian_elements(i_arr(1), i_arr(2), irpts) &
+                     /real(system%deg_R_point(irpts), dp)
         enddo!irpts
         H(1)%k_data(i_mem) = temp_res
       enddo!i_mem
@@ -544,9 +543,8 @@ subroutine SsTC_get_hamiltonian(system, k, H, Nder_i, only_i)
 
             temp_res = temp_res + & !Compute sum.
                        ((cmplx_i)**(i - 1))*(prod_R)* &
-                       exp(cmplx_i*kdotr)*system%real_space_hamiltonian_elements(i_arr(1), i_arr(2), irpts) !&
-            !/real(system%deg_R_point(irpts), dp)
-            !TODO: Recheck the deg_R_points division.
+                       exp(cmplx_i*kdotr)*system%real_space_hamiltonian_elements(i_arr(1), i_arr(2), irpts) &
+                       /real(system%deg_R_point(irpts), dp)
           enddo!irpts
           H(i)%k_data(i_mem) = temp_res
         enddo!i_mem
@@ -654,9 +652,8 @@ subroutine SsTC_get_position(system, k, A, Nder_i, only_i)
 
           temp_res = temp_res + & !Compute sum.
                      ((cmplx_i)**Nder)*(prod_R)* &
-                     exp(cmplx_i*kdotr)*system%real_space_position_elements(i_arr(1), i_arr(2), i_arr(3), irpts) !&
-          !/real(system%deg_R_point(irpts), dp)
-          !TODO: Recheck the deg_R_points division.
+                     exp(cmplx_i*kdotr)*system%real_space_position_elements(i_arr(1), i_arr(2), i_arr(3), irpts) &
+                     /real(system%deg_R_point(irpts), dp)
         enddo!irpts
         A(1)%k_data(i_mem) = temp_res
       enddo!i_mem
@@ -699,9 +696,8 @@ subroutine SsTC_get_position(system, k, A, Nder_i, only_i)
 
             temp_res = temp_res + & !Compute sum.
                        ((cmplx_i)**(i - 1))*(prod_R)* &
-                       exp(cmplx_i*kdotr)*system%real_space_position_elements(i_arr(1), i_arr(2), i_arr(3), irpts) !&
-            !/real(system%deg_R_point(irpts), dp)
-            !TODO: Recheck the deg_R_points division.
+                       exp(cmplx_i*kdotr)*system%real_space_position_elements(i_arr(1), i_arr(2), i_arr(3), irpts) &
+                       /real(system%deg_R_point(irpts), dp)
           enddo!irpts
           A(i)%k_data(i_mem) = temp_res
         enddo!i_mem