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genvsig.f90
Go to the documentation of this file.
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! Copyright (C) 2002-2005 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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!BOP
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! !ROUTINE: genvsig
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! !INTERFACE:
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subroutine
genvsig
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! !USES:
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use
modmain
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! !DESCRIPTION:
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! Generates the Fourier transform of the Kohn-Sham effective potential in the
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! interstitial region.
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!
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! !REVISION HISTORY:
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! Created January 2004 (JKD)
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!EOP
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!BOC
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implicit none
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! automatic arrays
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complex(8)
zfft(ngtc)
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! Fourier transform intersitial potential to G-space
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zfft(1:ngtc)=
vsirc
(1:ngtc)
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call
zfftifc
(3,
ngdgc
,-1,zfft)
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! store in global array
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vsig
(1:
ngvc
)=zfft(
igfc
(1:
ngvc
))
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end subroutine
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!EOC
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genvsig
subroutine genvsig
Definition
genvsig.f90:10
modmain
Definition
modmain.f90:6
modmain::ngdgc
integer, dimension(3) ngdgc
Definition
modmain.f90:388
modmain::igfc
integer, dimension(:), allocatable igfc
Definition
modmain.f90:410
modmain::vsig
complex(8), dimension(:), allocatable vsig
Definition
modmain.f90:662
modmain::vsirc
real(8), dimension(:), pointer, contiguous vsirc
Definition
modmain.f90:653
modmain::ngvc
integer ngvc
Definition
modmain.f90:398
zfftifc
subroutine zfftifc(nd, n, sgn, z)
Definition
zfftifc_fftw.f90:7
genvsig.f90
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