Replace erf with qe_erf.

PP/CMakeLists.txt

@@ -421,7 +421,8 @@ qe_add_executable(qe_pp_st_ef_exe ${sources})
 set_target_properties(qe_pp_st_ef_exe PROPERTIES OUTPUT_NAME ef.x)
 target_link_libraries(qe_pp_st_ef_exe
     PRIVATE
-        QE::OpenMP_Fortran)
+        QE::OpenMP_Fortran
+        QE::Modules)
 
 ###########################################################
 # dos_sp.x
@@ -435,9 +436,10 @@ set(sources
 )
 qe_add_executable(qe_pp_st_dos_exe ${sources})
 set_target_properties(qe_pp_st_dos_exe PROPERTIES OUTPUT_NAME dos_sp.x)
-target_link_libraries(qe_pp_st_ef_exe
+target_link_libraries(qe_pp_st_dos_exe
     PRIVATE
-        QE::OpenMP_Fortran)
+        QE::OpenMP_Fortran
+        QE::Modules)
 
 ###########################################################
 # fermi_int_0.x

PP/simple_transport/src/ef.f90

@@ -163,6 +163,7 @@
       double precision function sumk (et,nbnd,nks,wk,degauss,ngauss,ee)
 
 !$    use omp_lib
+      use kinds
 
       implicit none
 
@@ -177,6 +178,8 @@
 
       integer :: i, j, ik, n, ni
 
+      real(dp), external :: qe_erf
+
       sqrtpm1 = 1.0d0/1.77245385090551602729d0
 
       sumk = 0.d0
@@ -203,7 +206,7 @@
          do i=1,nbnd
             do ik=1,nks
                x = (ee-et(i,ik))/degauss/dsqrt(2.d0)
-               fd = 0.5d0 * (1.d0 + erf(x) )
+               fd = 0.5d0 * (1.d0 + qe_erf(x) )
                sumk = sumk + wk(ik) * fd 
             end do
          end do
@@ -217,7 +220,7 @@
             do ik=1,nks
                ! 
                x = (ee-et(i,ik))/degauss/dsqrt(2.d0)
-               fd = 0.5d0 * (1.d0 + erf(x) )
+               fd = 0.5d0 * (1.d0 + qe_erf(x) )
                hd = 0.d0
                arg = min (200.d0, x**2)
                hp = exp ( - arg)

PP/simple_transport/src/smearing_mod.f90

@@ -26,15 +26,17 @@
          !
          !
          double precision function w1gauss(x,ngauss)
+            use kinds
             implicit none
             double precision, intent(in) :: x
             integer, intent(in) :: ngauss
+            real(dp), external :: qe_erf
 
             ! ngauss=0 (gaussian smearing)
             ! ngauss=1 FD
 
             if ( ngauss .eq. 0 ) then
-               w1gauss = 0.5d0 * ( 1.d0 + erf( x * sqrtpm1 ) )
+               w1gauss = 0.5d0 * ( 1.d0 + qe_erf( x * sqrtpm1 ) )
             else if ( ngauss .eq. 1 ) then
                w1gauss = 1.d0 / ( exp(-x) + 1.d0)
             end if