The Elk Code
modtdhfc.f90
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1 
2 ! Copyright (C) 2022 J. K. Dewhurst, S. Sharma and E. Harris-Lee.
3 ! This file is distributed under the terms of the GNU General Public License.
4 ! See the file COPYING for license details.
5 
6 module modtdhfc
7 
8 ! energy window cut-off for TDHFC states around the Fermi energy
9 real(8) ecutthc
10 ! maximum number of second-variational states within the energy window over all
11 ! k-points
12 integer nmaxthc
13 ! total number of TDHFC states
14 integer nthc
15 ! number of second-variational states within the energy window for each k-point
16 integer, allocatable :: nstthc(:)
17 ! index to used states for each k-point
18 integer, allocatable :: idxthc(:,:)
19 ! index from state and k-point to TDHFC states
20 integer, allocatable :: ithc(:,:)
21 
22 end module
23 
real(8) ecutthc
Definition: modtdhfc.f90:9
integer nthc
Definition: modtdhfc.f90:14
integer nmaxthc
Definition: modtdhfc.f90:12
integer, dimension(:,:), allocatable idxthc
Definition: modtdhfc.f90:18
integer, dimension(:,:), allocatable ithc
Definition: modtdhfc.f90:20
integer, dimension(:), allocatable nstthc
Definition: modtdhfc.f90:16