src/rdmwriteengy.f90

   1
   2 ! Copyright (C) 2007 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
   6 subroutine rdmwriteengy(fnum)
   7 use modmain
   8 implicit none
   9 ! arguments
  10 integer, intent(in) :: fnum
  11 write(fnum,*)
  12 write(fnum,'("Energies :")')
  13 write(fnum,'(" electronic kinetic",T30,": ",G18.10)') engykn
  14 write(fnum,'(" core electron kinetic",T30,": ",G18.10)') engykncr
  15 write(fnum,'(" Coulomb",T30,": ",G18.10)') engyvcl
  16 write(fnum,'(" Madelung",T30,": ",G18.10)') engymad
  17 write(fnum,'(" exchange-correlation",T30,": ",G18.10)') engyx
  18 write(fnum,'(" total energy",T30,": ",G18.10)') engytot
  19 call flushifc(fnum)
  20 return
  21 end subroutine
  22