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
47
48
49
50
51
52
53
54
55
56
57
58
|
!
! Copyright (C) 2001-2008 Quantum ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!---------------------------------------------------------------------
SUBROUTINE io_pattern (nat,fildrho,nirr,npert,u,xq,directory,iflag)
!---------------------------------------------------------------------
!
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE dfile_autoname, ONLY : dfile_name
USE io_files, ONLY : prefix, tmp_dir, seqopn
USE cell_base, ONLY : at
IMPLICIT NONE
!
! the i/o variables first
!
INTEGER :: nirr, iflag, nat, npert(3*nat)
COMPLEX(DP) :: u(3*nat,3*nat)
REAL(DP) :: xq(3)
CHARACTER (len=256),INTENT(in):: directory ! where to read/write the file
CHARACTER (len=*) :: fildrho ! name of the file
CHARACTER (len=256):: filname ! complete name of the file
!
! here the local variables
!
INTEGER :: i,iunit
INTEGER, EXTERNAL :: find_free_unit
LOGICAL :: exst
IF (ABS(iflag).NE.1) CALL errore('io_pattern','wrong iflag',1+ABS(iflag))
iunit = find_free_unit()
filname = TRIM(dfile_name(xq, at, fildrho, TRIM(directory)//prefix, (iflag>0),-1)) //".pat"
CALL seqopn(iunit,filname,'formatted',exst, directory)
IF (iflag.GT.0) THEN
!WRITE( stdout,'(5x,"WRITING PATTERNS TO FILE ",2a)') TRIM(directory), TRIM(filname)
WRITE(iunit,*) nirr
WRITE(iunit,*) (npert(i),i=1,nirr)
WRITE(iunit,*) u
WRITE(iunit,*) xq
ELSE
!WRITE( *,'(5x,"READING PATTERNS FROM FILE ",2a)') TRIM(directory), TRIM(filname)
READ(iunit,*) nirr
READ(iunit,*) (npert(i),i=1,nirr)
READ(iunit,*) u
READ(iunit,*) xq
END IF
!
CLOSE (iunit)
RETURN
END SUBROUTINE io_pattern
|
