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<font face="serif">from the Doc/INPUT_PW file, so which</font><font
face="serif"> is the best
compromise between time saving and accuracy, among these methods?<br>
Anyway I'm running some tests.<br>
</font><font face="serif"><br>
opt_scheme<br>
CHARACTER ( default = "quick-min" )<br>
specify the type of optimization scheme<br>
"sd" : steepest descent<br>
"broyden" : quasi-Newton Broyden's second method
(suggested)<br>
"quick-min" : a minimization algorithm based on<br>
molecular dynamics<br>
"damped-dyn" : damped molecular dynamics. See also the<br>
keyword damp<br>
"mol-dyn" : constant temperature molecular dynamics.
See<br>
also the keyword temp_req.<br>
Note that, in order to perform such
molecular<br>
dynamics, spring forces are NOT projected<br>
along the path.<br>
"langevin" : finite temperature langevin dynamics of
the<br>
string (smd only). It is used to compute
the<br>
average path and the free-energy profile.</font><br>
<div class="moz-signature">-- <br>
<title>signature</title>
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<hr size="2" width="100%"><b>Dr. ROSINI MARCELLO</b><br>
<a href="mailto:rosini.marcello@unimo.it">rosini.marcello@unimo.it</a><br>
--------------------------------------------------- <br>
<a href="http://www.fisica.unimo.it">dipartimento di fisica</a><br>
Università degli studi di Modena e Reggio Emilia<br>
<br>
via campi 213/a, 41100 Modena, Italy<br>
tel +39 059 2055312 - fax +39 059 2055616<br>
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