The Elk Code
 
Loading...
Searching...
No Matches
writedvs.f90
Go to the documentation of this file.
1
2! Copyright (C) 2008 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine writedvs(fext)
7use modmain
8use modphonon
9implicit none
10! arguments
11character(*), intent(in) :: fext
12! local variables
13integer is,ias
14! allocatable arrays
15complex(8), allocatable :: zfmt(:,:,:)
16allocate(zfmt(lmmaxo,nrmtmax,natmtot))
17open(150,file='DVS'//trim(fext),form='UNFORMATTED',action='WRITE')
18write(150) version
19write(150) nspecies
20write(150) lmmaxo
21do is=1,nspecies
22 write(150) natoms(is)
23 write(150) nrmt(is)
24end do
25write(150) ngridg
26do ias=1,natmtot
27 is=idxis(ias)
28 call zfmtpack(.false.,nrmt(is),nrmti(is),dvsmt(:,ias),zfmt(:,:,ias))
29end do
30write(150) zfmt,dvsir
31close(150)
32deallocate(zfmt)
33end subroutine
34
integer, dimension(maxspecies) nrmti
Definition modmain.f90:211
integer, dimension(3) ngridg
Definition modmain.f90:386
integer, dimension(maxspecies) nrmt
Definition modmain.f90:150
integer, dimension(maxspecies) natoms
Definition modmain.f90:36
integer, dimension(maxatoms *maxspecies) idxis
Definition modmain.f90:44
integer natmtot
Definition modmain.f90:40
integer, dimension(3), parameter version
Definition modmain.f90:1288
integer nrmtmax
Definition modmain.f90:152
integer lmmaxo
Definition modmain.f90:203
integer nspecies
Definition modmain.f90:34
complex(8), dimension(:), allocatable dvsir
complex(8), dimension(:,:), pointer, contiguous dvsmt
subroutine writedvs(fext)
Definition writedvs.f90:7
pure subroutine zfmtpack(tpack, nr, nri, zfmt1, zfmt2)
Definition zfmtpack.f90:7