<div>"restart" is to do calculation using the things already done.</div>
<div>So it will read the geometry, charge, wfc, ... from the previous calculation.</div>
<div> </div>
<div>If there is no wfc file and you set "restart", you must set also "startingwfc='atomic' " .</div>
<div> </div>
<div>I think it is ok to "restart" even if not scf, but maybe this is not very safe.</div>
<div><br> </div>
<div><span class="gmail_quote">2007/11/23, <a href="mailto:r95222066@ntu.edu.tw">r95222066@ntu.edu.tw</a> <<a href="mailto:r95222066@ntu.edu.tw">r95222066@ntu.edu.tw</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hello,<br> I have read the user guide and the INPUT_PW doc file.I wolud like<br>to ask how to use<br>the restart_mode='restart'. Do I need to save the wfc file? what is
<br>the process if I have<br>not scf yet,and I want to scf again by used the restart_mode="restart"?<br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">
Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br>------------------<br>Zhu feng
<br>Department of Physics, <br>Anhui University, Hefei, China