1
2! Copyright (C) 2018 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine wxcplot
7use modmain
8implicit none
9! initialise universal variables
10call init0
11if (xcgrad.ne.4) then
12  write(*,*)
13  write(*,'("Error(wxcplot): meta-GGA not in use")')
14  write(*,*)
15  stop
16end if
17! read the density and potentials from file
18call readstate
19! write the potential plots to file
20select case(task)
21case(341)
22  open(50,file='WXC1D.OUT',form='FORMATTED')
23  open(51,file='WLINES.OUT',form='FORMATTED')
24  call plot1d(50,51,1,wxcmt,wxcir)
25  close(50)
26  close(51)
27  write(*,*)
28  write(*,'("Info(wxcplot):")')
29  write(*,'(" 1D meta-GGA exchange-correlation potential written to &
30   &WXC1D.OUT")')
31  write(*,'(" vertex location lines written to WLINES.OUT")')
32case(342)
33  open(50,file='WXC2D.OUT',form='FORMATTED')
34  call plot2d(.false.,50,1,wxcmt,wxcir)
35  close(50)
36  write(*,*)
37  write(*,'("Info(wxcplot):")')
38  write(*,'(" 2D meta-GGA exchange-correlation potential written to &
39   &WXC2D.OUT")')
40case(343)
41  open(50,file='WXC3D.OUT',form='FORMATTED')
42  call plot3d(50,1,wxcmt,wxcir)
43  close(50)
44  write(*,*)
45  write(*,'("Info(wxcplot):")')
46  write(*,'(" 3D meta-GGA exchange-correlation potential written to &
47   &WXC3D.OUT")')
48end select
49end subroutine
50
51