<div dir="ltr"><font face="'comic sans ms', sans-serif" color="#009900"><b>Dear Professor Laurence Marks,</b></font><div><font face="'comic sans ms', sans-serif" color="#009900"><b>Thank you so much for reply.</b></font></div>
<div><font face="'comic sans ms', sans-serif"><b><font color="#666600">I rechecked the file, it is lower case </font><font color="#993399">(vec2old_lapw)</font><font color="#009900">.</font></b></font></div><div><font face="'comic sans ms', sans-serif"><b><font color="#666600">Also, I checked dayfile, I see the following message in front of</font><font color="#009900"> </font><font color="#993399">"clmcopy"</font><font color="#666600">:</font></b></font></div>
<div><font face="'comic sans ms', sans-serif" color="#993399"><b>"clmcopy case.dmatup not present"</b></font></div><div><font face="'comic sans ms', sans-serif" color="#009900"><b>Best Regards,</b></font></div>
<div><font face="'comic sans ms', sans-serif" color="#009900"><b>Ahmad</b></font></div><div><font face="'comic sans ms', sans-serif" color="#009900"><b><br></b></font></div><div><font face="'comic sans ms', sans-serif" color="#009900"><b><br>
</b></font><br><div class="gmail_quote">On Tue, Mar 27, 2012 at 10:35 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
The normal file name is "vec2old_lapw" -- please note the lower case.<br>
Did your emailer convert to upper case? Do you have an upper-case<br>
Vec2old_LAPW or a lower case vec2old_lapw? (Unix is case sensitive.)<br>
<br>
2012/3/27 ahmad gharleghi <<a href="mailto:ah.gharleghi@gmail.com">ah.gharleghi@gmail.com</a>>:<br>
<div><div class="h5">> Dear Wien2k Developer and users,<br>
><br>
> I am using Wien2k 11., on Ubuntu 10.04 linux.<br>
> I am trying to draw Band Structure and DOS for CaMnO3 (G-type AFM); I chose<br>
> spinpolarized calculation, and then defined the direction of "spin dn" for<br>
> Mn that I have decided "spin up" before, to have AFM system.<br>
> Moreover, I selected GGA, and also copied the continent of case.struct to<br>
> case.struct_supergroup.<br>
><br>
> First, please make me sure about accuracy of my steps, and I will be so<br>
> thankful if there be any detailed step by step explanation suitable for this<br>
> purpose.<br>
><br>
><br>
><br>
> Second, at this time, I just tried to go through the calculation, as I<br>
> mentioned above, the iterations were repeated as following:<br>
><br>
> hup command not found<br>
><br>
> LAPW0 END<br>
><br>
> LAPW1 END<br>
><br>
> Vec2old_LAPW command not found<br>
><br>
> LAPW2 END<br>
><br>
> Clmcopy END<br>
><br>
> Core END<br>
><br>
> Core END<br>
><br>
> Mixer END<br>
><br>
> I do not know what the command "Vec2old_LAPW command notnfound means here,<br>
> or what is the problem and its solution?<br>
> Meanwhile, I checked the $WIENROOT diractory, and I saw the file<br>
> "Vec2old_LAPW" exist over there!!<br>
><br>
> Thank you so much in advance.<br>
> Ahmad Gharleghi<br>
><br>
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><br>
<span class="HOEnZb"><font color="#888888"><br>
<br>
<br>
--<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <a href="tel:1-847-491-3996" value="+18474913996">1-847-491-3996</a><br>
"Research is to see what everybody else has seen, and to think what<br>
nobody else has thought"<br>
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