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