The Elk Code
gendmatmt.f90
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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 
6 subroutine gendmatmt
7 use modmain
8 use moddftu
9 implicit none
10 ! generate the density matrix in each muffin-tin
11 call gendmat(.false.,.false.,0,lmaxdm,lmmaxdm,dmatmt)
12 ! initialise with symmetry-breaking tensor moments
13 if (ftmtype < 0) then
14  dmftm(:,:,:,:,:)=dmftm(:,:,:,:,:)*reducebf
15  dmatmt(:,:,:,:,:)=dmatmt(:,:,:,:,:)+dmftm(:,:,:,:,:)
16 end if
17 ! symmetrise the density matrix
19 end subroutine
20 
integer, parameter lmmaxdm
Definition: moddftu.f90:14
complex(8), dimension(:,:,:,:,:), allocatable dmftm
Definition: moddftu.f90:80
real(8) reducebf
Definition: modmain.f90:279
subroutine gendmatmt
Definition: gendmatmt.f90:7
complex(8), dimension(:,:,:,:,:), allocatable dmatmt
Definition: moddftu.f90:16
subroutine gendmat(tspndg, tlmdg, lmin, lmax, ld, dmat)
Definition: gendmat.f90:7
integer ftmtype
Definition: moddftu.f90:70
subroutine symdmat(lmax, ld, dmat)
Definition: symdmat.f90:7
integer, parameter lmaxdm
Definition: moddftu.f90:13