<div dir="ltr"><div><font color="#009900" face="comic sans ms,sans-serif"><strong>Dear Wien2k Developer and users,</strong></font></div><div><font color="#009900" face="comic sans ms,sans-serif"><strong></strong></font> </div>
<div><font color="#993300" face="comic sans ms,sans-serif"><strong>I am using Wien2k 11., on Ubuntu 10.04 linux.</strong></font></div><div><font color="#666600" face="comic sans ms,sans-serif"><strong>I am trying to draw Band Structure and DOS for CaMnO3 (G-type AFM); I chose spinpolarized calculation, and then defined the direction of "spin dn" for Mn that I have decided "spin up" before, to have AFM system.</strong></font></div>
<div><font color="#666600" face="comic sans ms,sans-serif"><strong>Moreover, I selected GGA, and also copied the continent of case.struct to case.struct_supergroup. </strong></font><p><font color="#666600" face="comic sans ms,sans-serif"><strong>First, please make me sure about accuracy of my steps, and I will be so thankful if there be any detailed step by step explanation suitable for this purpose.</strong></font></p>
<p><font face="comic sans ms,sans-serif"><strong></strong></font> </p></div><div><font color="#333300" face="comic sans ms,sans-serif"><strong>Second, at this time, I just tried to go through the calculation, as I mentioned above, the iterations were repeated as following:</strong></font></div>
<div><font face="comic sans ms,sans-serif"><strong></strong></font> </div><div><font color="#666600" face="comic sans ms,sans-serif"><strong>hup command not found</strong></font></div><p><font color="#666600" face="comic sans ms,sans-serif"><strong>LAPW0 END</strong></font></p>
<p><font color="#666600" face="comic sans ms,sans-serif"><strong>LAPW1 END</strong></font></p><p><font color="#666600" face="comic sans ms,sans-serif"><strong>Vec2old_LAPW command not found</strong></font></p><p><font color="#666600" face="comic sans ms,sans-serif"><strong>LAPW2 END</strong></font></p>
<p><font color="#666600" face="comic sans ms,sans-serif"><strong>Clmcopy END</strong></font></p><p><font color="#666600" face="comic sans ms,sans-serif"><strong>Core END</strong></font></p><p><font color="#666600" face="comic sans ms,sans-serif"><strong>Core END</strong></font></p>
<div><font color="#666600" face="comic sans ms,sans-serif"><strong>Mixer END</strong></font></div><div><font face="comic sans ms,sans-serif"><strong></strong></font> </div><div><font color="#993300" face="comic sans ms,sans-serif"><strong>I do not know what the command "Vec2old_LAPW command notnfound means here, or what is the problem and its solution?</strong></font></div>
<div><font color="#993300" face="comic sans ms,sans-serif"><strong>Meanwhile, I checked the $WIENROOT diractory, and I saw the file "Vec2old_LAPW" exist over there!!</strong></font></div><div><font face="comic sans ms,sans-serif"><strong></strong></font> </div>
<div><font color="#009900" face="comic sans ms,sans-serif"><strong>Thank you so much in advance.</strong></font></div><div><font color="#009900" face="comic sans ms,sans-serif"><strong>Ahmad Gharleghi</strong></font></div>
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