getkmat.f90

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! Copyright (C) 2007-2010 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 getkmat(ik,kmat)
use modmain
use modramdisk
implicit none
! arguments
integer, intent(in) :: ik
complex(8), intent(out) :: kmat(nstsv,nstsv)
! local variables
logical tgs
integer nstsv_,recl
real(8) vkl_(3),t1
!$OMP CRITICAL(u220)
! read from RAM disk if required
if (ramdisk) then
  call getrd('KMAT.OUT',ik,tgs,v1=vkl_,n1=nstsv_,nzv=nstsv*nstsv,zva=kmat)
  if (tgs) goto 10
end if
! find the record length
inquire(iolength=recl) vkl_,nstsv_,kmat
open(220,file='KMAT.OUT',form='UNFORMATTED',access='DIRECT',recl=recl)
read(220,rec=ik) vkl_,nstsv_,kmat
close(220)
10 continue
!$OMP END CRITICAL(u220)
t1=abs(vkl(1,ik)-vkl_(1))+abs(vkl(2,ik)-vkl_(2))+abs(vkl(3,ik)-vkl_(3))
if (t1 > epslat) then
  write(*,*)
  write(*,'("Error(getkmat): differing vectors for k-point ",I8)') ik
  write(*,'(" current  : ",3G18.10)') vkl(:,ik)
  write(*,'(" KMAT.OUT : ",3G18.10)') vkl_
  write(*,*)
  stop
end if
if (nstsv /= nstsv_) then
  write(*,*)
  write(*,'("Error(getkmat): differing nstsv for k-point ",I8)') ik
  write(*,'(" current  : ",I8)') nstsv
  write(*,'(" KMAT.OUT : ",I8)') nstsv_
  write(*,*)
  stop
end if
end subroutine