[Wien] Small agr bug in spag.f

[Gavin Abo]

Dear Prof. Blaha,

This is to report a small bug in Wien2k 12.1.

An error like the following might occur:

xmgrace TiC.bands.agr

Nonterminating string:  TITLE "TiC          atom  1  #    k ene     
character
syntax error:  TITLE "TiC          atom  1  #    k       ene character

The xmlabel is set for the case shown in the code below. For other 
cases, xmlabel is uninitialized and garbage out is written in the agr file.

SRC_spaghetti/spag.f
--------------------
       if(jatom.eq.0) goto 206
  207  read(9,'(a80)',end=206) aline
           if(aline(2:5).eq.'JATO') then
     ...
     xmlabel1(:)=label1(:) !line 430
     ...
     endif
       endif
     ...
       write(40,123) xmtitle, jatom_list(1), xmlabel1 #line 588
--------------------

Therefore, the following change is suggested in spag.f:

       xmlabel1 ='' !Add at line 406
       char0=0.01d0

Best Regards,

Gavin
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