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<div class="moz-cite-prefix">There is an option described in the UG
for run_lapw:<br>
<br>
-r NUMBER -> restart after NUMBER (99) iterations (rm *.broyd*)<br>
<br>
This option is used to remove the broyd files every n cycle, where
n is given by the NUMBER.<br>
<br>
The "restart" means that the broyd files were removed as you
reached the specified NUMBER. If you didn't specify the NUMBER
with the '-r' option, the NUMBER is set to 99 by default. However,
if your using MSR, the default is 999. <br>
<br>
On 9/25/2012 5:29 AM, ding wrote:<br>
</div>
<blockquote cite="mid:tencent_09D9778004FC128D369B34FE@qq.com"
type="cite">
<div>Dear all, </div>
<div> What does "restart" in the case.dayfile mean as is shown
in the following:</div>
<div> </div>
<div>:ENERGY convergence: 1 0.00001 .0000001850000000<br>
:CHARGE convergence: 1 0.00001 -.0000052<br>
restart</div>
<div>> stop<br>
</div>
<div> </div>
<div>Best wishes!</div>
<div>Mingcui</div>
<div>Tongji university,China</div>
<br>
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