[Wien] problem in struct2xyz converter

[Dr. K. C. Bhamu]

Dear Wien2k Users

I am trying to convert my struct file into xyz format but I am getting
below error:

forrtl: severe (66): output statement overflows record, unit -5, file
Internal Formatted Write
Image              PC                Routine            Line        Source

struct2xyz         0000000000408AD7  Unknown               Unknown  Unknown
struct2xyz         00000000004301BA  Unknown               Unknown  Unknown
struct2xyz         000000000042E4AA  Unknown               Unknown  Unknown
struct2xyz         0000000000402DE8  MAIN__                     69
 struct2xyz.f
struct2xyz         0000000000402A4E  Unknown               Unknown  Unknown
libc.so.6          00002B199E5B3830  Unknown               Unknown  Unknown
struct2xyz         0000000000402949  Unknown               Unknown  Unknown

I went through mailing list and there is only one thread:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06332.html
which could not solve my problem.

My complier is MKL+ifort on ubuntu Laptop with Wien2k_16.1 code.

The struct file is attached here.

The struct2xyz.f file is kept at the end of this email.

Please suggest me how to solve this problem.

Sincerely
Bhamu


struct2zyz.f
      Program struct2xyz
!     Write a cif using code from constrain
!
!     Version 1.1, May 2009
!     L. D. Marks, Northwestern University
!
      use struct
      use symetr
      implicit real*8 (a-h,o-z)
!
!     Main program
      real*8,allocatable ::vec(:)
      character*80 fname,ename
      character*11 status,form
      character*67 ERRMSG
      character*7 SG
!
!     Standard Open Files
      call gtfnam(fname,ename)
      CALL ERRFLG(Ename,'Error in struct2xyz')
      OPEN (1,FILE=fname,STATUS='OLD',ERR=910)
8000  CONTINUE
      READ (1,*,END=8001,ERR=960) IUNIT,FNAME,STATUS,FORM,IRECL
      OPEN (IUNIT,FILE=FNAME,STATUS=STATUS,FORM=FORM,ERR=920)
      GOTO 8000
8001  continue
!
      dohess =.false.
!
!.....READ STRUCT
      call readstruct(SG, ISG)
      allocate (vec(3*nat) )
      heigen=0
!.....WRITE XYZ
      t=1.0
      nx=1
      ny=1
      nz=1
print*,'Enter the unitcell-repetitions (like 0x0x0 or 1x1x1)'
print*,'NX NY NZ='
read(*,*) NX,NY,NZ
      call writexyz(vec,t,'Wien2k_Data')
      deallocate (vec)
!
      CALL errclr(ename)
      stop 'struct2xyz END'

910 INFO = 1
!
!       def could'nt be opened
!
        WRITE (ERRMSG,9000) FNAME
        CALL OUTERR('struct2xyz',ERRMSG)
        GOTO 999

920   INFO = 2
!
!        file FNAME couldn''t be opened
!
        WRITE (ERRMSG,9010) IUNIT
        CALL OUTERR('struct2xyz',ERRMSG)
        WRITE (ERRMSG,9020) FNAME
        CALL OUTERR('struct2xyz',ERRMSG)
        WRITE (ERRMSG,9030) STATUS, FORM
        CALL OUTERR('struct2xyz',ERRMSG)
        GOTO 999
960     INFO = 7
!       Error reading file
        WRITE (ERRMSG,9040) FNAME
        CALL OUTERR('struct2xyz',ERRMSG)
        GOTO 999

999     STOP 'struct2xyz - Error. Check file struct2xyz.error.'

9000    FORMAT('can''t open definition file ',A40)
9010    FORMAT('can''t open unit: ',I2)
9020    FORMAT('       filename: ',A50)
9030    FORMAT('         status: ',A,'  form: ',A)
9040    FORMAT('Error reading filename ',a)
      end
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