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<DIV><FONT face=Verdana color=#0000ff size=2></FONT></DIV>
<DIV><FONT face=Verdana size=2></FONT>Peter Blaha: </DIV>
<DIV align=left>
<HR style="WIDTH: 166px; HEIGHT: 6px" SIZE=6>
</DIV>
<DIV> thanks! Problem is solved. I
forget change the GGA.in0 output option. So the
.r2v is empty .</DIV>
<DIV align=left>
<DIV align=left><FONT face=Verdana size=2></FONT></DIV>
<DIV> </DIV>
<DIV>
<DIV>
<DIV align=center><FONT size=4>Best regards!</FONT></DIV>
<DIV align=center><FONT size=4> Cai-hao
Hong </FONT></DIV>
<DIV align=center><PRE><FONT size=4> Hiroshima Synchrotron Radiation Center <BR>Hiroshima Univ, Higashi-Hiroshima ,Japan<BR> P.O.Box 739-0046<BR> Tel: 81-82-424-6297-318</FONT><FONT color=#c0c0c0><FONT face=Verdana size=2> </PRE><FONT
face=Verdana><FONT color=#c0c0c0><FONT size=2><PRE><FONT face=Verdana> </FONT>2009-09-07</PRE></FONT></FONT></DIV></DIV></FONT></FONT></FONT></DIV></DIV>
<DIV><FONT face=Verdana size=2>
<HR>
</FONT></DIV>
<DIV><FONT face=Verdana><FONT size=2><STRONG>发件人：</STRONG> Peter
Blaha</FONT></FONT></DIV>
<DIV><FONT face=Verdana><FONT size=2><STRONG>发送时间：</STRONG>
2009-09-07 02:20:17</FONT></FONT></DIV>
<DIV><FONT face=Verdana><FONT size=2><STRONG>收件人：</STRONG> A Mailing list for
WIEN2k users</FONT></FONT></DIV>
<DIV><FONT face=Verdana><FONT size=2><STRONG>抄送：</STRONG> </FONT></FONT></DIV>
<DIV><FONT face=Verdana><FONT size=2><STRONG>主题：</STRONG> Re: [Wien] Problem in
lapw5 lapw5.def</FONT></FONT></DIV>
<DIV><FONT face=Verdana size=2></FONT> </DIV>
<DIV><FONT face=Verdana size=2>
<DIV>Have a look at GGA.r2v</DIV>
<DIV>Does it exist, is it empty? Does it look like a GGA.clmval file ?</DIV>
<DIV>(The program crashes when it first attempts to read the first lines of </DIV>
<DIV>this file.</DIV>
<DIV></DIV>
<DIV>hongch schrieb:</DIV>
<DIV>> Dear wien2k users:</DIV>
<DIV>> I want to plot system Xc potential,so I modified the lapw5.def</DIV>
<DIV>> file line9 as GGA.r2v, then run lapw5 lapw5.def.</DIV>
<DIV>> However wien2k not work, it show as:</DIV>
<DIV>> </DIV>
<DIV>> [wien2k@localhost GGA]$ lapw5 lapw5.def</DIV>
<DIV>> forrtl: severe (24): end-of-file during read, unit 9,</DIV>
<DIV>> file /home/wien2k/work/SrAlGe/GGA/GGA.r2v</DIV>
<DIV>> Image PC Routine Line</DIV>
<DIV>> Source </DIV>
<DIV>> lapw5 080B6BC3 Unknown Unknown Unknown</DIV>
<DIV>> lapw5 080B61E3 Unknown Unknown Unknown</DIV>
<DIV>> lapw5 0809228A Unknown Unknown Unknown</DIV>
<DIV>> lapw5 0808B6FA Unknown Unknown Unknown</DIV>
<DIV>> lapw5 0808B395 Unknown Unknown Unknown</DIV>
<DIV>> lapw5 0806799C Unknown Unknown Unknown</DIV>
<DIV>> lapw5 0804D37B main1_ 306 main1.f</DIV>
<DIV>> lapw5 0804A009 MAIN__ 27 lapw5.f</DIV>
<DIV>> lapw5 08049C31 Unknown Unknown Unknown</DIV>
<DIV>> libc.so.6 00C7F390 Unknown Unknown Unknown</DIV>
<DIV>> lapw5 08049B41 Unknown Unknown Unknown</DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> .in5 file</DIV>
<DIV>> 0 0 1 8</DIV>
<DIV>> -16 16 1 8</DIV>
<DIV>> 16 16 1 8</DIV>
<DIV>> 6 6 6</DIV>
<DIV>> 100 100</DIV>
<DIV>> RHO NO</DIV>
<DIV>> ATU VAL NODEBUG</DIV>
<DIV>> ORTHO</DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> PS: I can execute X lapw5 to plot electron density with this in5 file</DIV>
<DIV>> without fault.</DIV>
<DIV>> </DIV>
<DIV>> lapw5.def</DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> 5 ,'GGA.in5', 'old', 'formatted',0</DIV>
<DIV>> 6 ,'GGA.output5', 'unknown','formatted',0</DIV>
<DIV>> 8 ,'GGA.struct', 'old', 'formatted',0</DIV>
<DIV>> 9 ,'GGA.r2v', 'old', 'formatted',0</DIV>
<DIV>> 10,'GGA.tmp', 'unknown','unformatted',0</DIV>
<DIV>> 11,'GGA.clmvaldn', 'unknown','formatted',0</DIV>
<DIV>> 12,'GGA.sigma', 'unknown','formatted',0</DIV>
<DIV>> 20,'GGA.rho_onedim','unknown','formatted',0</DIV>
<DIV>> 21,'GGA.rho', 'unknown','formatted',0</DIV>
<DIV>> </DIV>
<DIV>> best regard</DIV>
<DIV>> C.H Hong</DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> _______________________________________________</DIV>
<DIV>> Wien mailing list</DIV>
<DIV>> Wien@zeus.theochem.tuwien.ac.at</DIV>
<DIV>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</DIV>
<DIV></DIV>
<DIV>-- </DIV>
<DIV>-----------------------------------------</DIV>
<DIV>Peter Blaha</DIV>
<DIV>Inst. Materials Chemistry, TU Vienna</DIV>
<DIV>Getreidemarkt 9, A-1060 Vienna, Austria</DIV>
<DIV>Tel: +43-1-5880115671</DIV>
<DIV>Fax: +43-1-5880115698</DIV>
<DIV>email: pblaha@theochem.tuwien.ac.at</DIV>
<DIV>-----------------------------------------</DIV>
<DIV>_______________________________________________</DIV>
<DIV>Wien mailing list</DIV>
<DIV>Wien@zeus.theochem.tuwien.ac.at</DIV>
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