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<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US><FONT face="Times New Roman" size=3>Dear all:</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-INDENT: 21.75pt"><SPAN lang=EN-US><FONT face="Times New Roman" size=3>It has taken me half a month for a large system SCF calculation in wien2k (run_lapw 每ec 0.0001 每i 50 &). All went well until somebody killed my process by accident. My question is how can I restart the SCF right where it stopped? Is this possible? It stopped in the thirtieth iteration when lapw1 is running, maybe I just do the following command can solve the problem: run_lapw 每ec 0.0001 每i 50 每s lapw1 &. What do you think about, should I do this after save_lapw or deleting all the error files? Please tell me step by step. Thanks in advance.</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt; TEXT-INDENT: 21.75pt"><SPAN lang=EN-US><FONT face="Times New Roman" size=3>Regards </FONT></SPAN></P></DIV><p>__________________________________________________<br>Do You Yahoo!?<br>Tired of spam? Yahoo! Mail has the best spam protection around <br>http://mail.yahoo.com