The Elk Code
writelambda.f90
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1 
2 ! Copyright (C) 2010 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
3 ! This file is distributed under the terms of the GNU General Public License.
4 ! See the file COPYING for license details.
5 
6 subroutine writelambda(gq)
7 use modmain
8 use modphonon
9 implicit none
10 ! arguments
11 real(8), intent(in) :: gq(nbph,nqpt)
12 ! local variables
13 integer iq,i
14 real(8) t1,t2
15 open(50,file='LAMBDAQ.OUT',form='FORMATTED')
16 write(50,*)
17 write(50,'(I4," : total number of atoms")') natmtot
18 write(50,'(I6," : number of q-points")') nqpt
19 write(50,*)
20 do iq=1,nqpt
21  write(50,'(I6," : q-point")') iq
22  write(50,'(3G18.10," : q-vector (lattice coordinates)")') vql(:,iq)
23  write(50,'(3G18.10," : q-vector (Cartesian coordinates)")') vqc(:,iq)
24  do i=1,nbph
25  t1=pi*fermidos*wphq(i,iq)**2
26  if (t1 > 1.d-8) then
27  t2=gq(i,iq)/t1
28  else
29  t2=0.d0
30  end if
31  write(50,'(I4,G18.10)') i,t2
32  end do
33  write(50,*)
34 end do
35 close(50)
36 write(*,*)
37 write(*,'("Info(writelambda):")')
38 write(*,'(" wrote electron-phonon coupling constants for all q-points to &
39  &LAMBDAQ.OUT")')
40 end subroutine
41 
subroutine writelambda(gq)
Definition: writelambda.f90:7
real(8) fermidos
Definition: modmain.f90:913
real(8), parameter pi
Definition: modmain.f90:1232
real(8), dimension(:,:), allocatable vqc
Definition: modmain.f90:547
real(8), dimension(:,:), allocatable vql
Definition: modmain.f90:545
integer natmtot
Definition: modmain.f90:40
real(8), dimension(:,:), allocatable wphq
Definition: modphonon.f90:31