move pbecor2

xc-pot/CMakeLists.txt

@@ -14,10 +14,10 @@ xc-pot/excl91.f90
 xc-pot/excpw91.f90
 xc-pot/gaunt.f90
 xc-pot/excwb91.f90
+xc-pot/pbecor2.f90
 )
 
 set(fleur_F77 ${fleur_F77}
-xc-pot/pbecor2.f
 xc-pot/relcor.f
 xc-pot/vxcl91.f
 xc-pot/vxcpw91.f
@@ -41,10 +41,10 @@ xc-pot/vxcepbe.f90
 xc-pot/excl91.f90
 xc-pot/excpw91.f90
 xc-pot/excwb91.f90
+xc-pot/pbecor2.f90
 )
 
 set(inpgen_F77 ${inpgen_F77}
-xc-pot/pbecor2.f
 xc-pot/relcor.f
 xc-pot/vxcl91.f
 xc-pot/vxcpw91.f

xc-pot/pbecor2.f → xc-pot/pbecor2.f90

-      MODULE m_pbecor2
+MODULE m_pbecor2
 !---------------------
-c slimmed down version of gcor used in pw91 routines, to interpolate
-c lsd correlation energy, as given by (10) of
-c j. p. perdew and y. wang, phys. rev. b {\bf 45}, 13244 (1992).
-c k. burke, may 11, 1996.
+! slimmed down version of gcor used in pw91 routines, to interpolate
+! lsd correlation energy, as given by (10) of
+! j. p. perdew and y. wang, phys. rev. b {\bf 45}, 13244 (1992).
+! k. burke, may 11, 1996.
 !---------------------
-      CONTAINS
-      SUBROUTINE pbecor2(
-     >                   a,a1,b1,b2,b3,b4,rtrs,
-     <                   gg,ggrs)
+CONTAINS
+   SUBROUTINE pbecor2( &
+      a,a1,b1,b2,b3,b4,rtrs, &
+      gg,ggrs)
       IMPLICIT NONE
 
       REAL, INTENT (IN)  :: a,a1,b1,b2,b3,b4,rtrs
       REAL, INTENT (OUT) :: gg,ggrs
 
       REAL :: q0,q1,q2,q3
-c     ..
+!     ..
       q0 = -2.e0*a* (1.e0+a1*rtrs*rtrs)
       q1 = 2.e0*a*rtrs* (b1+rtrs* (b2+rtrs* (b3+b4*rtrs)))
       q2 = log(1.e0+1.e0/q1)
@@ -23,5 +23,5 @@ c     ..
       q3 = a* (b1/rtrs+2.e0*b2+rtrs* (3.e0*b3+4.e0*b4*rtrs))
       ggrs = -2.e0*a*a1*q2 - q0*q3/ (q1* (1.e0+q1))
 
-      END SUBROUTINE pbecor2
-      END MODULE m_pbecor2
+   END SUBROUTINE pbecor2
+END MODULE m_pbecor2