File: writegamma.f90

package info (click to toggle)
elkcode 5.4.24-2
  • links: PTS, VCS
  • area: main
  • in suites: buster, sid
  • size: 12,840 kB
  • sloc: f90: 48,415; fortran: 22,457; perl: 965; makefile: 384; sh: 369; python: 105; ansic: 67
file content (34 lines) | stat: -rw-r--r-- 927 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34

! Copyright (C) 2008 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.

subroutine writegamma(gq)
use modmain
use modphonon
implicit none
! arguments
real(8), intent(in) :: gq(nbph,nqpt)
! local variables
integer iq,i
open(50,file='GAMMAQ.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
    write(50,'(I4,G18.10)') i,gq(i,iq)
  end do
  write(50,*)
end do
close(50)
write(*,*)
write(*,'("Info(writegamma):")')
write(*,'(" wrote phonon linewidths for all q-points to GAMMAQ.OUT")')
return
end subroutine