Commit ef9eb1a0 authored by Daniel Wortmann's avatar Daniel Wortmann

Removed debugging IO.

parent 969a7a51
...@@ -198,7 +198,6 @@ CONTAINS ...@@ -198,7 +198,6 @@ CONTAINS
ENDIF ENDIF
ELSE ! pbe or similar ELSE ! pbe or similar
CALL vxcepbe(xcpot%DATA,jspins,ngrid,ngrid,rh, grad%agrt,grad%agru,grad%agrd,grad%g2ru,grad%g2rd,grad%gggrt,grad%gggru,grad%gggrd, vx,vxc) CALL vxcepbe(xcpot%DATA,jspins,ngrid,ngrid,rh, grad%agrt,grad%agru,grad%agrd,grad%g2ru,grad%g2rd,grad%gggrt,grad%gggru,grad%gggrd, vx,vxc)
PRINT *,"xc:",vxc(2,:)/2,rh(2,:),grad%agrt(2)
ENDIF ENDIF
ELSE !LDA potentials ELSE !LDA potentials
IF (xcpot%is_name("x-a")) THEN ! X-alpha method IF (xcpot%is_name("x-a")) THEN ! X-alpha method
...@@ -307,7 +306,6 @@ CONTAINS ...@@ -307,7 +306,6 @@ CONTAINS
ENDIF ENDIF
!c-----> hartree units !c-----> hartree units
exc= hrtr_half*exc exc= hrtr_half*exc
PRINT *,"EX:",rh(2,:),sqrt(grad%agrt(2)),exc(2)
END SUBROUTINE xcpot_get_exc END SUBROUTINE xcpot_get_exc
......
...@@ -61,10 +61,6 @@ CONTAINS ...@@ -61,10 +61,6 @@ CONTAINS
WRITE(*,*) "No Correlation functional" WRITE(*,*) "No Correlation functional"
END IF END IF
PRINT *, "TODO: some info and output on libxc functionals"
#else #else
CALL judft_error("You specified a libxc-exchange correlation potential but FLEUR is not linked against libxc",hint="Please recompile FLEUR with libxc support") CALL judft_error("You specified a libxc-exchange correlation potential but FLEUR is not linked against libxc",hint="Please recompile FLEUR with libxc support")
#endif #endif
...@@ -167,7 +163,6 @@ CONTAINS ...@@ -167,7 +163,6 @@ CONTAINS
exc=exc+excc exc=exc+excc
END IF END IF
ENDIF ENDIF
PRINT *,"EX:",rh(2,:),grad%sigma(:,2),exc(2)
#endif #endif
END SUBROUTINE xcpot_get_exc END SUBROUTINE xcpot_get_exc
...@@ -180,6 +175,7 @@ CONTAINS ...@@ -180,6 +175,7 @@ CONTAINS
END SUBROUTINE xcpot_alloc_gradients END SUBROUTINE xcpot_alloc_gradients
#ifdef CPP_LIBXC
SUBROUTINE priv_write_info(xc_info) SUBROUTINE priv_write_info(xc_info)
IMPLICIT NONE IMPLICIT NONE
TYPE(xc_f03_func_info_t),INTENT(IN) :: xc_info TYPE(xc_f03_func_info_t),INTENT(IN) :: xc_info
...@@ -221,5 +217,6 @@ CONTAINS ...@@ -221,5 +217,6 @@ CONTAINS
WRITE(*, '(a,i1,2a)') '[', i+1, '] ', TRIM(xc_f03_func_reference_get_ref(xc_f03_func_info_get_references(xc_info, i))) WRITE(*, '(a,i1,2a)') '[', i+1, '] ', TRIM(xc_f03_func_reference_get_ref(xc_f03_func_info_get_references(xc_info, i)))
END DO END DO
END SUBROUTINE priv_write_info END SUBROUTINE priv_write_info
#endif
END MODULE m_types_xcpot_libxc END MODULE m_types_xcpot_libxc
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