The Elk Code
 
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tdrestart.f90
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1
2! Copyright (C) 2020 Peter Elliott, 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 tdrestart
7use modmain
8use modtddft
9use moddftu
10implicit none
11! last time step for which the eigenvectors were written to file
12call readtimes
13! generate the density and magnetisation
14call rhomag
15! compute the time-dependent Kohn-Sham potential and magnetic field
16call potkst
17! DFT+U
18if (dftu /= 0) then
19 call gendmatmt
20 call genvmatmt
21end if
22! read in the induced A-field and its time derivative
23if (tafindt) call readafindt
24! read in the atomic displacements and velocities
25if (tatdisp) trdatdv=.true.
26! begin TDDFT loop with next time step
28end subroutine
29
subroutine gendmatmt
Definition gendmatmt.f90:7
subroutine genvmatmt
Definition genvmatmt.f90:10
integer dftu
Definition moddftu.f90:32
logical trdatdv
Definition modmain.f90:62
logical tatdisp
Definition modmain.f90:59
logical tafindt
Definition modtddft.f90:72
integer itimes0
Definition modtddft.f90:44
subroutine potkst
Definition potkst.f90:7
subroutine readafindt
Definition readafindt.f90:7
subroutine readtimes
Definition readtimes.f90:7
subroutine rhomag
Definition rhomag.f90:7
subroutine tdrestart
Definition tdrestart.f90:7