<div>Dear WIEN usres:</div> <div> Could someone help me in a convergence perolem? I'm doing relaxation using min_lapw of spin polarized calculations. The forces tend to decrease then startrs a new structure with very high foreces, start to deccrease agin and so forth, so I couldn't solve this problem? how I can let the forces come to convergence?</div> <div> </div> <div>thank you</div> <div>hazem<BR><BR><B><I>°×Óî <baiyu1982@ss.buaa.edu.cn></I></B> wrote:</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Are you trying to caculate a gas through WIEN. According to my limited knowledge,it seems not possible.<BR>Or maybe i am wrong. <BR>_______________________________________________<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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