The Elk Code
 
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writeatdvc.f90
Go to the documentation of this file.
1
2! Copyright (C) 2020 J. K. Dewhurst and S. Sharma.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine writeatdvc
7use modmain
8implicit none
9! local variables
10integer is,ia
11! write the atomic displacements and velocities in Cartesian coordinates to file
12open(50,file='ATDVC.OUT',form='FORMATTED',action='WRITE')
13do is=1,nspecies
14 do ia=1,natoms(is)
15 write(50,'(2I4,6G18.10)') is,ia,atdvc(:,:,ia,is)
16 end do
17end do
18close(50)
19end subroutine
20
integer, dimension(maxspecies) natoms
Definition modmain.f90:36
integer nspecies
Definition modmain.f90:34
real(8), dimension(3, 0:1, maxatoms, maxspecies) atdvc
Definition modmain.f90:64
subroutine writeatdvc
Definition writeatdvc.f90:7