getdevecfv.f90

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! Copyright (C) 2013 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 getdevecfv(ik,iq,is,ia,ip,devecfv)
use modmain
use modphonon
use modramdisk
implicit none
! arguments
integer, intent(in) :: ik,iq,is,ia,ip
complex(8), intent(out) :: devecfv(nmatmax,nstfv,nspnfv)
! local variables
logical tgs
integer recl,nmatmax_,nstfv_,nspnfv_
real(8) vkl_(3),t1
character(256) fext,fname
! construct the dynamical matrix file extension
call dynfext(iq,is,ia,ip,fext)
! construct filename
fname=trim(scrpath)//'DEVECFV'//trim(fext)
!$OMP CRITICAL(u222)
! read from RAM disk if required
if (ramdisk) then
  call getrd(fname,ik,tgs,v1=vkl_,n1=nmatmax_,n2=nstfv_,n3=nspnfv_, &
   nzv=nmatmax*nstfv*nspnfv,zva=devecfv)
  if (tgs) goto 10
end if
! find the record length
inquire(iolength=recl) vkl_,nmatmax_,nstfv_,nspnfv_,devecfv
open(222,file=fname,form='UNFORMATTED',access='DIRECT',recl=recl)
read(222,rec=ik) vkl_,nmatmax_,nstfv_,nspnfv_,devecfv
close(222)
10 continue
!$OMP END CRITICAL(u222)
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(getdevecfv): differing vectors for k-point ",I8)') ik
  write(*,'(" current : ",3G18.10)') vkl(:,ik)
  write(*,'(" ",A," : ",3G18.10)') trim(fname),vkl_
  write(*,*)
  stop
end if
if (nmatmax /= nmatmax_) then
  write(*,*)
  write(*,'("Error(getdevecfv): differing nmatmax for k-point ",I8)') ik
  write(*,'(" current : ",I8)') nmatmax
  write(*,'(" ",A," : ",I8)') trim(fname),nmatmax_
  write(*,*)
  stop
end if
if (nstfv /= nstfv_) then
  write(*,*)
  write(*,'("Error(getdevecfv): differing nstfv for k-point ",I8)') ik
  write(*,'(" current : ",I8)') nstfv
  write(*,'(" ",A," : ",I8)') trim(fname),nstfv_
  write(*,*)
  stop
end if
if (nspnfv /= nspnfv_) then
  write(*,*)
  write(*,'("Error(getdevecfv): differing nspnfv for k-point ",I8)') ik
  write(*,'(" current : ",I8)') nspnfv
  write(*,'(" ",A," : ",I8)') trim(fname),nspnfv_
  write(*,*)
  stop
end if
end subroutine