The Elk Code
putdevecsv.f90
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1 
2 ! Copyright (C) 2013 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 putdevecsv(ik,devecsv)
7 use modmain
8 use modphonon
9 use modramdisk
10 implicit none
11 ! arguments
12 integer, intent(in) :: ik
13 complex(8), intent(in) :: devecsv(nstsv,nstsv)
14 ! local variables
15 integer recl
16 character(256) fext,fname
17 ! construct the dynamical matrix file extension
18 call dynfext(iqph,isph,iaph,ipph,fext)
19 ! construct filename
20 fname=trim(scrpath)//'DEVECSV'//trim(fext)
21 !$OMP CRITICAL(u226)
22 ! write to RAM disk if required
23 if (ramdisk) then
24  call putrd(fname,ik,v1=vkl(1:3,ik),n1=nstsv,nzv=nstsv*nstsv,zva=devecsv)
25 end if
26 ! write to disk if required
27 if (wrtdsk) then
28 ! find the record length
29  inquire(iolength=recl) vkl(1:3,ik),nstsv,devecsv
30  open(226,file=fname,form='UNFORMATTED',access='DIRECT',recl=recl)
31  write(226,rec=ik) vkl(1:3,ik),nstsv,devecsv
32  close(226)
33 end if
34 !$OMP END CRITICAL(u226)
35 end subroutine
36 
character(256) scrpath
Definition: modmain.f90:1303
logical ramdisk
Definition: modramdisk.f90:9
subroutine dynfext(iq, is, ia, ip, fext)
Definition: dynfext.f90:7
subroutine putrd(fname, irec, n1, n2, n3, v1, v2, nrv, rva, nzv, zva)
Definition: modramdisk.f90:120
type(file_t), dimension(:), allocatable, private file
Definition: modramdisk.f90:29
subroutine putdevecsv(ik, devecsv)
Definition: putdevecsv.f90:7
logical wrtdsk
Definition: modramdisk.f90:15
integer ipph
Definition: modphonon.f90:15
integer isph
Definition: modphonon.f90:15
real(8), dimension(:,:), allocatable vkl
Definition: modmain.f90:471
integer iqph
Definition: modphonon.f90:15
integer iaph
Definition: modphonon.f90:15