The Elk Code
 
Loading...
Searching...
No Matches
gendmatmt.f90
Go to the documentation of this file.
1
2! Copyright (C) 2007 F. Bultmark, F. Cricchio, L. Nordstrom and J. K. Dewhurst.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine gendmatmt
7use modmain
8use moddftu
9implicit none
10! generate the density matrix in each muffin-tin
11call gendmat(.false.,.false.,0,lmaxdm,lmmaxdm,dmatmt)
12! initialise with symmetry-breaking tensor moments
13if (ftmtype < 0) then
14 dmftm(:,:,:,:,:)=dmftm(:,:,:,:,:)*reducebf
15 dmatmt(:,:,:,:,:)=dmatmt(:,:,:,:,:)+dmftm(:,:,:,:,:)
16end if
17! symmetrise the density matrix
19end subroutine
20
subroutine gendmat(tspndg, tlmdg, lmin, lmax, ld, dmat)
Definition gendmat.f90:7
subroutine gendmatmt
Definition gendmatmt.f90:7
integer, parameter lmmaxdm
Definition moddftu.f90:14
complex(8), dimension(:,:,:,:,:), allocatable dmftm
Definition moddftu.f90:80
integer ftmtype
Definition moddftu.f90:70
integer, parameter lmaxdm
Definition moddftu.f90:13
complex(8), dimension(:,:,:,:,:), allocatable dmatmt
Definition moddftu.f90:16
real(8) reducebf
Definition modmain.f90:279
subroutine symdmat(lmax, ld, dmat)
Definition symdmat.f90:7