putpmat.f90

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! Copyright (C) 2014 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.

subroutine putpmat(ik,pmat)
use modmain
use modramdisk
implicit none
! arguments
integer, intent(in) :: ik
complex(8), intent(in) :: pmat(nstsv,nstsv,3)
! local variables
integer recl
! write the matrix elements in the second-variational basis
!$OMP CRITICAL(u230)
! write to RAM disk if required
if (ramdisk) &
 call putrd('PMAT.OUT',ik,v1=vkl(1:3,ik),n1=nstsv,nzv=nstsv*nstsv*3,zva=pmat)
! write to disk if required
if (wrtdisk) then
! determine the record length
  inquire(iolength=recl) vkl(1:3,1),nstsv,pmat
  open(230,file='PMAT.OUT',form='UNFORMATTED',access='DIRECT',recl=recl)
  write(230,rec=ik) vkl(1:3,ik),nstsv,pmat
  close(230)
end if
!$OMP END CRITICAL(u230)
end subroutine