The Elk Code
writekpts.f90
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1 
2 ! Copyright (C) 2002-2005 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
3 ! This file is distributed under the terms of the GNU General Public License.
4 ! See the file COPYING for license details.
5 
6 !BOP
7 ! !ROUTINE: writekpts
8 ! !INTERFACE:
9 subroutine writekpts
10 ! !USES:
11 use modmain
12 ! !DESCRIPTION:
13 ! Writes the $k$-points in lattice coordinates, weights and number of
14 ! ${\bf G+k}$-vectors to the file {\tt KPOINTS.OUT}.
15 !
16 ! !REVISION HISTORY:
17 ! Created June 2003 (JKD)
18 !EOP
19 !BOC
20 implicit none
21 ! local variables
22 integer ik
23 open(50,file='KPOINTS'//trim(filext),form='FORMATTED')
24 write(50,'(I6," : nkpt; k-point, vkl, wkpt, nmat below")') nkpt
25 do ik=1,nkpt
26  write(50,'(I6,4G18.10,2I8)') ik,vkl(:,ik),wkpt(ik),nmat(:,ik)
27 end do
28 close(50)
29 end subroutine
30 !EOC
31 
character(256) filext
Definition: modmain.f90:1301
integer nkpt
Definition: modmain.f90:461
subroutine writekpts
Definition: writekpts.f90:10
integer, dimension(:,:), allocatable nmat
Definition: modmain.f90:851
real(8), dimension(:), allocatable wkpt
Definition: modmain.f90:475
real(8), dimension(:,:), allocatable vkl
Definition: modmain.f90:471