Dear Bhabya <br><br>Optical properties in RPA<br>make pp<br>use bin/epsilon.x<br>read Doc/eps_man.pdf <br>no example, but it is straightforward reading the manual. <br><br>Optical properties by TDDFPT (absolutely better than RPA for isolated systems, buy still in progress for periodical systems)<br>
make tddfpt<br>read documentation at TDDFPT/Doc/<br>and see examples in <br>TDDFPT/Examples/<br><br>For more advanced methods to calculate optical properties you can use other codes like YAMBO, that use the output of PWSCF and produce optical properties un several approximations. <a href="http://www.yambo-code.org/">http://www.yambo-code.org/</a><br>
YAMBO can de downloaded and compiled within QE, but it is a bit tricky to compile ( by my own experience two weeks ago). <br><br>Good luck<br>Eduardo<br><br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>---------- Mensaje reenviado ----------<br>From: bhabya sahoo <<a href="mailto:bdslipun@gmail.com">bdslipun@gmail.com</a>><br>To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Cc: <br>Date: Mon, 30 Apr 2012 11:40:50 +0530<br>Subject: [Pw_forum] optical properties<br>can any one help me to find the optical properies by espresso code<div>is there any example in espresso</div><div>but i know ev.x command can do this but i donot what should be the input file for this </div>
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<div><br></div><div>any suggetions are highly appricieted </div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br>
</div><div><br></div><div><br></div><div><br></div><div> b sahoo</div><div>mumbai</div><div>reserch scholar</div>
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<br></blockquote></div><br><br clear="all"><br>-- <br><div><br></div>
<div><br></div>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><div><br></div>
<div>On leave from: Departamento de Fisica, Facultad de Ciencias, Universidad de Chile URL: <a href="http://fisica.ciencias.uchile.cl/%7Eemenendez" target="_blank">http://fisica.ciencias.uchile.cl/~emenendez</a><div><br></div>
<div><span style="font-family:sans-serif;font-size:13px;line-height:19px">"<i>Padece, espera y trabaja para gentes que nunca conocerá y que a su vez padecerán, esperarán y trabajarán para otros, que tampoco serán felices, pues el hombre ansía siempre una felicidad situada más allá de la porción que le es otorgada. Pero la grandeza del hombre está precisamente en querer mejorar lo que es. En imponerse Tareas. En el Reino de los Cielos no hay grandeza que conquistar, puesto que allá todo es jerarquía establecida, incógnita despejada, existir sin término, imposibilidad de sacrificio, reposo y deleite. Por ello, agobiado de penas y de Tareas, hermoso dentro de su miseria, capaz de amar en medio de las plagas, el hombre puede hallar su grandeza, su máxima medida en el Reino de este Mundo</i>".</span></div>
<div><span style="font-family:sans-serif;font-size:13px;line-height:19px">Alejo Carpentier, El reino de este mundo, (1949).<br><br></span>"...man never knows for who he suffers and waits. He suffers and waits
and works for peoples he will never meet, and who at the same time will
suffer and wait and work for others who will also not be happy, as man
always desires a happiness that is beyond the lot that he is given. But
the greatness of man is precisely in wanting to improve what he is. In
assigning himself Tasks. In the Kingdom of Heaven there is no greatness
to conquer, for everything there is an established hierarchy, the
unknown is unobscured, existence is without end, sacrifice, rest, and
delight are impossibilities. Therefore, overwhelmed with hardships and
Tasks, beautiful within his misery, capable of loving in the middle of
calamity, man can only find his greatness, his full self-realization, in
the Kingdom of this World." - Alejo Carpentier<br></div></div><br>