The Elk Code
genapwlofr.f90
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1 
2 ! Copyright (C) 2018 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 genapwlofr
7 use modomp
8 implicit none
9 ! local variables
10 integer nthd
11 call holdthd(2,nthd)
12 !$OMP PARALLEL DEFAULT(SHARED) &
13 !$OMP NUM_THREADS(nthd)
14 !$OMP SECTIONS
15 !$OMP SECTION
16 ! generate the APW radial functions
17 call genapwfr
18 !$OMP SECTION
19 ! generate the local-orbital radial functions
20 call genlofr
21 !$OMP END SECTIONS
22 !$OMP SECTIONS
23 !$OMP SECTION
24 ! compute the overlap radial integrals
25 call olprad
26 !$OMP SECTION
27 ! compute the Hamiltonian radial integrals
28 call hmlrad
29 !$OMP END SECTIONS
30 !$OMP END PARALLEL
31 call freethd(nthd)
32 end subroutine
33 
subroutine hmlrad
Definition: hmlrad.f90:10
subroutine genlofr
Definition: genlofr.f90:10
Definition: modomp.f90:6
subroutine genapwlofr
Definition: genapwlofr.f90:7
subroutine genapwfr
Definition: genapwfr.f90:10
subroutine olprad
Definition: olprad.f90:10
subroutine freethd(nthd)
Definition: modomp.f90:106
subroutine holdthd(nloop, nthd)
Definition: modomp.f90:78