writelambda.f90

Go to the documentation of this file.

 
! Copyright (C) 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 writelambda(gq)
use modmain
use modphonon
implicit none
! arguments
real(8), intent(in) :: gq(nbph,nqpt)
! local variables
integer iq,i
real(8) t1,t2
open(50,file='LAMBDAQ.OUT',form='FORMATTED')
write(50,*)
write(50,'(I4," : total number of atoms")') natmtot
write(50,'(I6," : number of q-points")') nqpt
write(50,*)
do iq=1,nqpt
  write(50,'(I6," : q-point")') iq
  write(50,'(3G18.10," : q-vector (lattice coordinates)")') vql(:,iq)
  write(50,'(3G18.10," : q-vector (Cartesian coordinates)")') vqc(:,iq)
  do i=1,nbph
    t1=pi*fermidos*wphq(i,iq)**2
    if (t1 > 1.d-8) then
      t2=gq(i,iq)/t1
    else
      t2=0.d0
    end if
    write(50,'(I4,G18.10)') i,t2
  end do
  write(50,*)
end do
close(50)
write(*,*)
write(*,'("Info(writelambda):")')
write(*,'(" wrote electron-phonon coupling constants for all q-points to &
 &LAMBDAQ.OUT")')
end subroutine