File: getvclijji.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 (46 lines) | stat: -rw-r--r-- 1,148 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
35
36
37
38
39
40
41
42
43
44
45
46

! Copyright (C) 2007-2008 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.

!BOP
! !ROUTINE: getvclijji
! !INTERFACE:
subroutine getvclijji(ikp,vclijji)
! !USES:
use modmain
! !INPUT/OUTPUT PARAMETERS:
!   ikp     : k-point from non-reduced set (in,integer)
!   vclijji : Coulomb matrix elements (out,real(nstsv,nstsv,nkpt))
! !DESCRIPTION:
!   Retrieves Coulomb matrix elements of the type $(i-jj-i)$ from the file
!   {\tt VCLIJJI.OUT}.
!
! !REVISION HISTORY:
!   Created 2009 (Sharma)
!EOP
!BOC
implicit none
! arguments
integer, intent(in) :: ikp
real(8), intent(out) :: vclijji(nstsv,nstsv,nkpt)
! local variables
integer recl,iostat
! determine record length
inquire(iolength=recl) vclijji
!$OMP CRITICAL(u260)
open(260,file='VCLIJJI.OUT',form='UNFORMATTED',access='DIRECT',recl=recl, &
 iostat=iostat)
if (iostat.ne.0) then
  write(*,*)
  write(*,'("Error(getvclijji): error opening file VCLIJJI.OUT")')
  write(*,*)
  stop
end if
read(260,rec=ikp) vclijji
close(260)
!$OMP END CRITICAL(u260)
return
end subroutine
!EOC