[Wien] [WIEN] wn-readbakgen.f for XCrySDen

Ulrich Wedig U.Wedig at fkf.mpg.de
Mon Sep 24 11:20:27 CEST 2018


In $WIENROOT/SRC_kgen there is a file wn_readbakgen.f which may be
compiled in order to substitute the corresponding executable in the
XCrySDen distribution ($XCRYSDEN_TOPDIR/bin/wn_readbakgen).

However the file supplied in SRC_kgen lead to compile errors:

lines 110,111

               read(line,'(43x,i7,err=111)') nkpt               ! <
invalid character in format list
               goto 112                                                
       ! < label is not defined
 111        read(line,'(44x,i6)') nkpt     ! old format

With the following slight modifications, compilation and execution works:

               read(line,'(43x,i7)',err=111) nkpt               ! <
modified line 110
               goto 112
 111        read(line,'(44x,i6)') nkpt     ! old format
 112        continue                                                    
   ! < added line

Best regards,

Ulrich

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Dr. Ulrich Wedig                              Tel. 0711/6891535
Max-Planck-Institut fuer Festkoerperforschung FAX  0711/6891502
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