putocculr.f90

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! Copyright (C) 2026 Wenhan Chen, J. K. Dewhurst and S. Sharma.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.

subroutine putocculr(ik0)
use modmain
use modulr
implicit none
! arguments
integer, intent(in) :: ik0
! local variables
integer ik,recl
! central k-point
ik=(ik0-1)*nkpa+1
! find the record length
inquire(iolength=recl) vkl(1:3,ik),nstulr,occulr(1:nstulr,ik0)
!$OMP CRITICAL(u308)
open(308,file='OCCULR.OUT',form='UNFORMATTED',access='DIRECT',recl=recl)
write(308,rec=ik0) vkl(1:3,ik),nstulr,occulr(1:nstulr,ik0)
close(308)
!$OMP END CRITICAL(u308)
end subroutine