From 452905f76b895a4fe0bb44a61a781d2f633ad025 Mon Sep 17 00:00:00 2001
From: giannozz <giannozz@c92efa57-630b-4861-b058-cf58834340f0>
Date: Fri, 14 Aug 2015 19:47:08 +0000
Subject: [PATCH] erf and erfc replaced by qe_erf, qe_erfc, as in the rest of
 QE

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11676 c92efa57-630b-4861-b058-cf58834340f0
---
 Modules/fft_base.f90          | 2 +-
 Modules/generate_function.f90 | 9 ++++++---
 2 files changed, 7 insertions(+), 4 deletions(-)

diff --git a/Modules/fft_base.f90 b/Modules/fft_base.f90
index 3e0406c23..6eb91aa93 100644
--- a/Modules/fft_base.f90
+++ b/Modules/fft_base.f90
@@ -845,7 +845,7 @@ SUBROUTINE cgather_sym_many( f_in, f_out, nbnd, nbnd_proc, start_nbnd_proc )
   !
   ! ... Written by A. Dal Corso
   !
-  ! ... This routine generalizes cgather_sym, receiveng nbnd complex 
+  ! ... This routine generalizes cgather_sym, receiving nbnd complex 
   ! ... distributed functions and collecting nbnd_proc(dfftp%mype+1) 
   ! ... functions in each processor.
   ! ... start_nbnd_proc(dfftp%mype+1), says where the data for each processor
diff --git a/Modules/generate_function.f90 b/Modules/generate_function.f90
index 12b52e842..6cb3a04fc 100644
--- a/Modules/generate_function.f90
+++ b/Modules/generate_function.f90
@@ -548,6 +548,7 @@ CONTAINS
       REAL( DP )                :: f1, f2 
       REAL( DP )                :: r( 3 ), s( 3 )
       REAL( DP ), ALLOCATABLE   :: rholocal ( : )
+      REAL( DP ), EXTERNAL      :: qe_erfc
       !
       inv_nr1 = 1.D0 / DBLE( dfftp%nr1 )
       inv_nr2 = 1.D0 / DBLE( dfftp%nr2 )
@@ -610,7 +611,7 @@ CONTAINS
          dist = SQRT(SUM( r * r )) 
          arg = ( dist * alat - width ) / spread
          !
-         rholocal( ir ) = ERFC(arg) 
+         rholocal( ir ) = qe_erfc(arg) 
          !      
       END DO
       !
@@ -664,6 +665,7 @@ CONTAINS
       REAL( DP )                :: scale, dist, arg, length, chargeanalytic, chargelocal
       REAL( DP )                :: r( 3 ), s( 3 )
       REAL( DP ), ALLOCATABLE   :: gradrholocal ( :, : )
+      REAL( DP ), EXTERNAL      :: qe_erfc
       !
       inv_nr1 = 1.D0 / DBLE( dfftp%nr1 )
       inv_nr2 = 1.D0 / DBLE( dfftp%nr2 )
@@ -732,7 +734,7 @@ CONTAINS
          arg = ( dist * alat - width ) / spread
          !
          gradrholocal( :, ir ) = EXP( - arg**2 ) * r(:) / dist
-         chargelocal = chargelocal + ERFC(arg) 
+         chargelocal = chargelocal + qe_erfc(arg) 
          !      
       END DO
       !
@@ -914,6 +916,7 @@ CONTAINS
 
     REAL(DP) :: f1 = 0.0_DP , f2 = 0.0_DP
     REAL(DP) :: t, invt
+    REAL( DP ), EXTERNAL      :: qe_erf
 
     IF ( spread .LT. tol .OR. width .LT. tol ) THEN
        WRITE(stdout,*)'ERROR: wrong parameters of erfc function',spread,width
@@ -921,7 +924,7 @@ CONTAINS
     ENDIF
     t = spread / width
     invt = width / spread
-    f1 = ( 1.D0 + erf(invt) ) / 2.D0     ! f1 is close to one  for t-->0
+    f1 = ( 1.D0 + qe_erf(invt) ) / 2.D0 ! f1 is close to one  for t-->0
     f2 = exp(-(invt)**2) / 2.D0 / sqrtpi ! f2 is close to zero for t-->0
     SELECT CASE ( dim )
     CASE ( 0 )