<div>Dear Dr <STRONG><EM>SOLTANI,</EM></STRONG></div> <div><STRONG><EM></EM></STRONG> </div> <div><STRONG><EM>I am working with WIEN2K code for the optical properties os semiconducting alloy.</EM></STRONG></div> <div><STRONG><EM>Do you recall me we have traveled Tehran to New Delhi by Irana together . I have been in iran for 2 week at Ishfhan to attend ICTP workshop.</EM></STRONG></div> <div><STRONG><EM>Sudhir</EM></STRONG></div> <div><STRONG><EM>India</EM></STRONG></div> <div><STRONG><EM> </EM></STRONG></div> <div><BR><BR><B><I>NAJMEH SOLTANI <naj23s@yahoo.com></I></B> wrote:</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Dear wien2k users,<BR>I m doing an antiferromagnetic calculation for LaCrO3. My nonmagnetic structure had( 62):Pnma spacegroup. I labeled two La and two Cr in struct file to be able to affect spin flip for them to make an structure with zero magnetic
moment so, the structure now is shown just by P and no spacegroup is chosen for this structure. when I runafm_lapw after Lapw0 and Lapw1c this phrase is written "grep: processes: no such file or directory". but scf sycle will converge untill 20th itteration and in each itteration this message is printed. <BR>I will be so happy if you help me.<BR>Regards,<BR>Najmeh Soltani<BR> <div> <HR SIZE=1> Building a website is a piece of cake. <BR>Yahoo! Small Business gives you <A href="http://us.rd.yahoo.com/evt=48251/*http://smallbusiness.yahoo.com/webhosting/?p=PASSPORTPLUS">all the tools to get online.</A>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></BLOCKQUOTE><BR><p> 
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