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... And omitting xclib_error also in this file

This commit is contained in:
hyldgaar 2021-12-06 13:01:55 +01:00
parent 58c777a8cf
commit f9fb42336b
1 changed files with 3 additions and 3 deletions
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6
XClib/qe_drivers_gga.f90
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@ -186,7 +186,7 @@ SUBROUTINE gcxc( length, rho_in, grho_in, sx_out, sc_out, v1x_out, &
end if end if
! !
if ( iflag == 0) then if ( iflag == 0) then
CALL xclib_error( " gcxc ", " Sorting GGA-AHs failed ", 1) STOP ! CALL xclib_error( " gcxc ", " Sorting GGA-AHs failed ", 1)
end if end if
! !
IF (exx_started) THEN IF (exx_started) THEN
@ -214,7 +214,7 @@ SUBROUTINE gcxc( length, rho_in, grho_in, sx_out, sc_out, v1x_out, &
end if end if
! !
if ( iflag == 0) then if ( iflag == 0) then
CALL xclib_error( " gcxc ", " Sorting vdW-DF-AHs failed ", 1) STOP ! CALL xclib_error( " gcxc ", " Sorting vdW-DF-AHs failed ", 1)
end if end if
! !
IF (exx_started) THEN IF (exx_started) THEN
@ -880,7 +880,7 @@ SUBROUTINE gcx_spin( length, rho_in, grho2_in, sx_tot, v1x_out, v2x_out )
end if end if
! !
if ( iflag == 0) then if ( iflag == 0) then
CALL xclib_error( " gcx_spin ", " Sorting vdW-DF-AHs failed ", 1) STOP ! CALL xclib_error( " gcx_spin ", " Sorting vdW-DF-AHs failed ", 1)
else else
sx_tot(ir) = 0.5_DP * ( sx_up*rnull_up + sx_dw*rnull_dw ) sx_tot(ir) = 0.5_DP * ( sx_up*rnull_up + sx_dw*rnull_dw )
v2x_up = 2.0_DP * v2x_up v2x_up = 2.0_DP * v2x_up