The Elk Code
 
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writetm.f90
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1
2! Copyright (C) 2009 F. Bultmark, F. Cricchio and L. Nordstrom.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine writetm
7use modmain
8use moddftu
9implicit none
10if (dftu == 0) then
11 write(*,*)
12 write(*,'("Error(writetmdu): dftu = 0")')
13 write(*,*)
14 stop
15end if
16! initialize universal variables
17call init0
18call init1
19! read the potential from file
20call readstate
21! read density matrix from file DMATMT.OUT
22call readdmatmt
23! generate the DFT+U muffin-tin potential matrices
24call genvmatmt
25! write tensor moments to TENSMOM.OUT file
26call writetm3
27write(*,*)
28write(*,'("Info(writetm): tensor moment decomposition of density matrix")')
29write(*,'(" in the spherical basis written to TENSMOM.OUT")')
30end subroutine
31
subroutine genvmatmt
Definition genvmatmt.f90:10
subroutine init0
Definition init0.f90:10
subroutine init1
Definition init1.f90:10
integer dftu
Definition moddftu.f90:32
subroutine readdmatmt
Definition readdmatmt.f90:7
subroutine readstate
Definition readstate.f90:10
subroutine writetm3
Definition writetm3.f90:10
subroutine writetm
Definition writetm.f90:7