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! Copyright (C) 2002-2005 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.
!BOP
! !ROUTINE: potplot
! !INTERFACE:
subroutine potplot
! !USES:
use modmain
! !DESCRIPTION:
! Outputs the exchange, correlation and Coulomb potentials, read in from
! {\tt STATE.OUT}, for 1D, 2D or 3D plotting.
!
! !REVISION HISTORY:
! Created June 2003 (JKD)
!EOP
!BOC
implicit none
! initialise universal variables
call init0
! read the density and potentials from file
call readstate
! write the potential plots to file
select case(task)
case(41)
open(50,file='VCL1D.OUT',form='FORMATTED',action='WRITE')
open(51,file='VLINES.OUT',form='FORMATTED',action='WRITE')
call plot1d(50,51,1,vclmt,vclir)
close(50)
close(51)
open(50,file='VXC1D.OUT',form='FORMATTED',action='WRITE')
open(51,file='VLINES.OUT',form='FORMATTED',action='WRITE')
call plot1d(50,51,1,vxcmt,vxcir)
close(50)
close(51)
write(*,*)
write(*,'("Info(potplot):")')
write(*,'(" 1D Coulomb potential plot written to VCL1D.OUT")')
write(*,'(" 1D exchange-correlation potential plot written to VXC1D.OUT")')
write(*,'(" vertex location lines written to VLINES.OUT")')
case(42)
open(50,file='VCL2D.OUT',form='FORMATTED',action='WRITE')
call plot2d(.false.,50,1,vclmt,vclir)
close(50)
open(50,file='VXC2D.OUT',form='FORMATTED',action='WRITE')
call plot2d(.false.,50,1,vxcmt,vxcir)
close(50)
write(*,*)
write(*,'("Info(potplot):")')
write(*,'(" 2D Coulomb potential plot written to VCL2D.OUT")')
write(*,'(" 2D exchange-correlation potential plot written to VXC2D.OUT")')
case(43)
open(50,file='VCL3D.OUT',form='FORMATTED',action='WRITE')
call plot3d(50,1,vclmt,vclir)
close(50)
open(50,file='VXC3D.OUT',form='FORMATTED',action='WRITE')
call plot3d(50,1,vxcmt,vxcir)
close(50)
write(*,*)
write(*,'("Info(potplot):")')
write(*,'(" 3D Coulomb potential plot written to VCL3D.OUT")')
write(*,'(" 3D exchange-correlation potential plot written to VXC3D.OUT")')
end select
end subroutine
!EOC
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