<span class="gI"><span class="go"></span></span>Read this <br>espresso-4.3.2/TDDFPT/Doc/turboTDDFT-CPC.pdf<br>or Comput. Phys. Commun. 182 (2011) 1744-1754.<br><br>and the user guide at <a href="http://www.quantum-espresso.org">www.quantum-espresso.org</a> <br>
<br>For the optical properties there is also a less sophisticated approach implemented in the epsilon.x code, the manual is in the file<br>espresso-4.3.2/Doc/eps_man.pdf<br><br>Enjoy,<br>Eduardo Menendez Proupin<div>Departamento de Química Fisica Aplicada<br>
Facultad de Ciencias<br>Universidad Autónoma de Madrid<br>28049 Madrid, Spain<br></div><div>Phone: +34 91 497 6706</div><br><br><div class="gmail_quote">---------- Mensaje reenviado ----------<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
From: F Anis <<a href="mailto:f.anis45@yahoo.com">f.anis45@yahoo.com</a>><br>To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>Cc: <br>Date: Thu, 8 Mar 2012 00:32:04 -0800 (PST)<br>Subject: [Pw_forum] mathematical method for computing in quantm espresso<br>
<table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font:inherit" valign="top"><div><span style="WORD-SPACING:0px;FONT:medium 'Times New Roman';TEXT-TRANSFORM:none;COLOR:rgb(0,0,0);TEXT-INDENT:0px;WHITE-SPACE:normal;LETTER-SPACING:normal;BORDER-COLLAPSE:separate"><span style="FONT-SIZE:13px;COLOR:rgb(51,51,51);FONT-FAMILY:arial,sans-serif"><span>Hi,</span></span></span></div>

<div><span style="WORD-SPACING:0px;FONT:medium 'Times New Roman';TEXT-TRANSFORM:none;COLOR:rgb(0,0,0);TEXT-INDENT:0px;WHITE-SPACE:normal;LETTER-SPACING:normal;BORDER-COLLAPSE:separate"><span style="FONT-SIZE:13px;COLOR:rgb(51,51,51);FONT-FAMILY:arial,sans-serif"><span>What</span><span> </span><span>mathematical</span><span> </span><span>method</span><span> </span><span>for</span><span> </span><span>computing the</span><span> </span><span>optical properties and self
 consist cycle </span><span>in the</span><span> </span><span>quantum</span><span> espresso</span><span> </span><span>is used.</span></span></span></div>
<div><span style="WORD-SPACING:0px;FONT:medium 'Times New Roman';TEXT-TRANSFORM:none;COLOR:rgb(0,0,0);TEXT-INDENT:0px;WHITE-SPACE:normal;LETTER-SPACING:normal;BORDER-COLLAPSE:separate"><span style="FONT-SIZE:13px;COLOR:rgb(51,51,51);FONT-FAMILY:arial,sans-serif"><span>thanks.</span></span></span></div>
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<br></blockquote><br></div>