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!BOP
7! !ROUTINE: rdmwriteengy
8! !INTERFACE:
9subroutine rdmwriteengy(fnum)
10! !USES:
11use modmain
12use modrdm
13! !INPUT/OUTPUT PARAMETERS:
14!   fnum : file number for writing output (in,integer)
15! !DESCRIPTION:
16!   Writes all contributions to the total energy to file.
17!
18! !REVISION HISTORY:
19!   Created 2008 (Sharma)
20!EOP
21!BOC
22implicit none
23! arguments
24integer, intent(in) :: fnum
25write(fnum,*)
26write(fnum,'("Energies :")')
27write(fnum,'(" electronic kinetic",T30,": ",G18.10)') engykn
28write(fnum,'(" core electron kinetic",T30,": ",G18.10)') engykncr
29write(fnum,'(" Coulomb",T30,": ",G18.10)') engyvcl
30write(fnum,'(" Madelung",T30,": ",G18.10)') engymad
31write(fnum,'(" exchange-correlation",T30,": ",G18.10)') engyx
32if (rdmtemp.gt.0.d0) then
33  write(fnum,'(" entropy",T30,": ",G18.10)') rdmentrpy
34end if
35write(fnum,'(" total energy",T30,": ",G18.10)') engytot
36flush(fnum)
37end subroutine
38!EOC
39
40