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zbsht.f90
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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!BOP
7! !ROUTINE: zbsht
8! !INTERFACE:
9subroutine zbsht(nr,nri,zfmt1,zfmt2)
10! !USES:
11use modmain
12! !INPUT/OUTPUT PARAMETERS:
13! nr : number of radial mesh points (in,integer)
14! nri : number of points on the inner part of the muffin-tin (in,integer)
15! zfmt1 : input complex muffin-tin function in spherical harmonics
16! (in,complex(*))
17! zfmt2 : output complex muffin-tin function in spherical coordinates
18! (out,complex(*))
19! !DESCRIPTION:
20! Performs a backward spherical harmonic transform (SHT) on a complex
21! muffin-tin function expressed in spherical harmonics to obtain a function in
22! spherical coordinates. See also {\tt genshtmat} and {\tt zfsht}.
23!
24! !REVISION HISTORY:
25! Created October 2013 (JKD)
26!EOP
27!BOC
28implicit none
29! arguments
30integer, intent(in) :: nr,nri
31complex(8), intent(in) :: zfmt1(*)
32complex(8), intent(out) :: zfmt2(*)
33! local variables
34integer i
35! transform the inner part of the muffin-tin
36call zgemm('N','N',lmmaxi,nri,lmmaxi,zone,zbshti,lmmaxi,zfmt1,lmmaxi,zzero, &
37 zfmt2,lmmaxi)
38! transform the outer part of the muffin-tin
39i=lmmaxi*nri+1
40call zgemm('N','N',lmmaxo,nr-nri,lmmaxo,zone,zbshto,lmmaxo,zfmt1(i),lmmaxo, &
41 zzero,zfmt2(i),lmmaxo)
42end subroutine
43!EOC
44
complex(8), parameter zzero
Definition modmain.f90:1238
integer lmmaxi
Definition modmain.f90:207
complex(8), parameter zone
Definition modmain.f90:1238
complex(8), dimension(:,:), allocatable zbshto
Definition modmain.f90:577
complex(8), dimension(:,:), allocatable zbshti
Definition modmain.f90:573
integer lmmaxo
Definition modmain.f90:203
subroutine zbsht(nr, nri, zfmt1, zfmt2)
Definition zbsht.f90:10