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

Ulrich Wedig U.Wedig at fkf.mpg.de
Mon Sep 24 11:49:00 CEST 2018


My previous email was rather misshaped by the mail client. I hope you
can read this one more clearly. Please apologize.

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 leads to compile errors:

lines 110,111

            read(line,'(43x,i7,err=111)') nkpt
                                   /error: invalid character in format list/
            goto 112                                                
                                    /error: 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

-- 
-----------------------------------------------------------------
Dr. Ulrich Wedig                              Tel. 0711/6891535
Max-Planck-Institut fuer Festkoerperforschung FAX  0711/6891502
Heisenbergstr. 1
70569 Stuttgart                               U.Wedig at fkf.mpg.de
-----------------------------------------------------------------

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180924/13eaad42/attachment.html>


More information about the Wien mailing list