The Elk Code
Loading...
Searching...
No Matches
gendvsig.f90
Go to the documentation of this file.
1
2
! Copyright (C) 2013 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
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
gendvsig
7
use
modmain
8
use
modphonon
9
implicit none
10
! allocatable arrays
11
complex(8)
,
allocatable
:: zfft(:)
12
allocate
(zfft(
ngtot
))
13
zfft(1:
ngtot
)=
dvsir
(1:
ngtot
)*
cfunir
(1:
ngtot
)
14
zfft(1:
ngtot
)=zfft(1:
ngtot
)+
vsir
(1:
ngtot
)*
dcfunir
(1:
ngtot
)
15
! Fourier transform to G+q-space
16
call
zfftifc
(3,
ngridg
,-1,zfft)
17
! store in global array
18
dvsig
(1:
ngvc
)=zfft(
igfft
(1:
ngvc
))
19
deallocate
(zfft)
20
end subroutine
21
gendvsig
subroutine gendvsig
Definition
gendvsig.f90:7
modmain
Definition
modmain.f90:6
modmain::ngtot
integer ngtot
Definition
modmain.f90:390
modmain::ngridg
integer, dimension(3) ngridg
Definition
modmain.f90:386
modmain::cfunir
real(8), dimension(:), allocatable cfunir
Definition
modmain.f90:436
modmain::igfft
integer, dimension(:), allocatable igfft
Definition
modmain.f90:406
modmain::vsir
real(8), dimension(:), allocatable vsir
Definition
modmain.f90:651
modmain::ngvc
integer ngvc
Definition
modmain.f90:398
modphonon
Definition
modphonon.f90:6
modphonon::dcfunir
complex(8), dimension(:), allocatable dcfunir
Definition
modphonon.f90:78
modphonon::dvsir
complex(8), dimension(:), allocatable dvsir
Definition
modphonon.f90:110
modphonon::dvsig
complex(8), dimension(:), pointer, contiguous dvsig
Definition
modphonon.f90:112
zfftifc
subroutine zfftifc(nd, n, sgn, z)
Definition
zfftifc_fftw.f90:7
gendvsig.f90
Generated by
1.9.8