The Elk Code
genvsig.f90
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1 
2 ! Copyright (C) 2002-2005 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 
6 !BOP
7 ! !ROUTINE: genvsig
8 ! !INTERFACE:
9 subroutine genvsig
10 ! !USES:
11 use modmain
12 ! !DESCRIPTION:
13 ! Generates the Fourier transform of the Kohn-Sham effective potential in the
14 ! interstitial region.
15 !
16 ! !REVISION HISTORY:
17 ! Created January 2004 (JKD)
18 !EOP
19 !BOC
20 implicit none
21 ! automatic arrays
22 complex(8) zfft(ngtc)
23 ! Fourier transform intersitial potential to G-space
24 zfft(1:ngtc)=vsirc(1:ngtc)
25 call zfftifc(3,ngdgc,-1,zfft)
26 ! store in global array
27 vsig(1:ngvc)=zfft(igfc(1:ngvc))
28 end subroutine
29 !EOC
30 
subroutine genvsig
Definition: genvsig.f90:10
integer ngvc
Definition: modmain.f90:398
subroutine zfftifc(nd, n, sgn, z)
Definition: zfftifc_fftw.f90:7
integer, dimension(:), allocatable igfc
Definition: modmain.f90:410
real(8), dimension(:), pointer, contiguous vsirc
Definition: modmain.f90:653
integer, dimension(3) ngdgc
Definition: modmain.f90:388
complex(8), dimension(:), allocatable vsig
Definition: modmain.f90:662