The Elk Code
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tdrestart.f90
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! Copyright (C) 2020 Peter Elliott, J. K. Dewhurst and S. Sharma.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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subroutine
tdrestart
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use
modmain
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use
modtddft
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use
moddftu
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implicit none
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! last time step for which the eigenvectors were written to file
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call
readtimes
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! generate the density and magnetisation
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call
rhomag
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! compute the time-dependent Kohn-Sham potential and magnetic field
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call
potkst
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! DFT+U
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if
(
dftu
/= 0)
then
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call
gendmatmt
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call
genvmatmt
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end if
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! read in the induced A-field and its time derivative
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if
(
tafindt
)
call
readafindt
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! read in the atomic displacements and velocities
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if
(
tatdisp
)
trdatdv
=.true.
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! begin TDDFT loop with next time step
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itimes0
=
itimes0
+1
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end subroutine
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gendmatmt
subroutine gendmatmt
Definition
gendmatmt.f90:7
genvmatmt
subroutine genvmatmt
Definition
genvmatmt.f90:10
moddftu
Definition
moddftu.f90:6
moddftu::dftu
integer dftu
Definition
moddftu.f90:32
modmain
Definition
modmain.f90:6
modmain::trdatdv
logical trdatdv
Definition
modmain.f90:62
modmain::tatdisp
logical tatdisp
Definition
modmain.f90:59
modtddft
Definition
modtddft.f90:6
modtddft::tafindt
logical tafindt
Definition
modtddft.f90:72
modtddft::itimes0
integer itimes0
Definition
modtddft.f90:44
potkst
subroutine potkst
Definition
potkst.f90:7
readafindt
subroutine readafindt
Definition
readafindt.f90:7
readtimes
subroutine readtimes
Definition
readtimes.f90:7
rhomag
subroutine rhomag
Definition
rhomag.f90:7
tdrestart
subroutine tdrestart
Definition
tdrestart.f90:7
tdrestart.f90
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