<DIV>Dear Peter,</DIV>
<DIV> </DIV>
<DIV>Thanks very much. I got it</DIV>
<DIV> </DIV>
<DIV>Yanming ma<BR><BR><B><I>Peter Blaha <pblaha@zeus.theochem.tuwien.ac.at></I></B> wrote:</DIV>
<DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid; WIDTH: 100%">> I have a large case with spin-orbit coupling. It will take several days to run a single lapw1 step in SCF calculation. After one lapw1 step finishes, I met a limited memory problem (i.e. the assigned memory is less than the one during the case running ) when lapwso is running. So the program stoped due to the memory problem. My question is how can I restart the SCF right where it stoped after I increase the memory? Is this possible?<BR>><BR>run_lapw -so -s lapwso<BR><BR>You can start at any "label" in run_lapw.<BR>Have a look into this script. A "label" is<BR><BR>word:<BR><BR><BR>P.Blaha<BR>--------------------------------------------------------------------------<BR>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<BR>Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<BR>Email: blaha@theochem.tuwien.ac.at WWW:
http://info.tuwien.ac.at/theochem/<BR>--------------------------------------------------------------------------<BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</BLOCKQUOTE></DIV><BR><BR>Yanming Ma Ph.D<br>Steacie Institute for Molecular Sciences,<br>National Research Councils of Canada,<br>Ottawa, Ontario<br>K1A 0R6<br>Canada<p><hr SIZE=1>
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