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<font face="Times New Roman">Dear Prof. Blaha,<br>
<br>
This is to report a small bug in Wien2k 12.1.<br>
<br>
An error like the following might occur:<br>
<br>
xmgrace TiC.bands.agr<br>
<br>
Nonterminating string: TITLE "TiC atom 1 # k
ene character<br>
syntax error: TITLE "TiC atom 1 # k ene
character<br>
<br>
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.<br>
<br>
SRC_spaghetti/spag.f<br>
--------------------<br>
if(jatom.eq.0) goto 206<br>
207 read(9,'(a80)',end=206) aline<br>
if(aline(2:5).eq.'JATO') then<br>
...<br>
xmlabel1(:)=label1(:) !line 430<br>
...<br>
endif<br>
endif<br>
...<br>
write(40,123) xmtitle, jatom_list(1), xmlabel1 #line 588<br>
--------------------<br>
<br>
Therefore, the following change is suggested in spag.f:<br>
<br>
xmlabel1 ='' !Add at line 406<br>
char0=0.01d0<br>
<br>
Best Regards,<br>
<br>
Gavin</font>
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