<div>Dear yan,</div>
<div> </div>
<div>I have searched the readme file under the /espresso-4.0.3/example/ with the keyword 'dynmat.x'. but nothing found. could you please tell me which example told us how to calculate IR spectrum?</div>
<div> </div>
<div>thank you</div>
<div> </div>
<div>vega<br><br></div>
<div class="gmail_quote">On Mon, Mar 16, 2009 at 8:55 PM, Yan <span dir="ltr"><<a href="mailto:pemryan@yahoo.cn">pemryan@yahoo.cn</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="FONT-WEIGHT: 400; FONT-SIZE: 14pt; FONT-STYLE: normal; FONT-FAMILY: 'Sans Serif'">Hello Vega,<br>
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p>I suppose you have read the manual. <br>Besides the files in the folder 'doc', there are some examples in the folder 'examples'. <br>
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p>cheers,<br><font color="#888888">
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p>Yan</font>
<div class="im"><br>
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p>On 2009/3/16 Monday 20:28:22 vega lew wrote:<br>
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p>> I found a lot of executive files in /espresso-4.0.3/bin/ folder. But I<br>> can't find instructions for some of them, such as dynmat.x.<br>><br>> by the way, is there any tutorial or example to instruct how to plot IR<br>
> spectrum ?<br>
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p>
<p style="MARGIN: 0px; TEXT-INDENT: 0px"><br></p></div></div><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" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br><br clear="all"><br>-- <br>==================================================================================<br>Vega Lew ( weijia liu)<br>PH.D Candidate in Chemical Engineering<br>State Key Laboratory of Materials-oriented Chemical Engineering<br>
College of Chemistry and Chemical Engineering<br>Nanjing University of Technology, 210009, Nanjing, Jiangsu, China<br>******************************************************************************************************************<br>
Email: <a href="mailto:vegalew@gmail.com">vegalew@gmail.com</a><br>Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing, Jiangsu, China <br>****************************************************************************************************************** <br>