Dear Bhabya Optical properties in RPA make pp use bin/epsilon.x read Doc/eps_man.pdf no example, but it is straightforward reading the manual.
Optical properties by TDDFPT (absolutely better than RPA for isolated systems, buy still in progress for periodical systems) make tddfpt read documentation at TDDFPT/Doc/ and see examples in TDDFPT/Examples/ 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. http://www.yambo-code.org/ YAMBO can de downloaded and compiled within QE, but it is a bit tricky to compile ( by my own experience two weeks ago). Good luck Eduardo > ---------- Mensaje reenviado ---------- > From: bhabya sahoo <bdslipun at gmail.com> > To: PWSCF Forum <pw_forum at pwscf.org> > Cc: > Date: Mon, 30 Apr 2012 11:40:50 +0530 > Subject: [Pw_forum] optical properties > can any one help me to find the optical properies by espresso code > is there any example in espresso > but i know ev.x command can do this but i donot what should be the input > file for this > > > any suggetions are highly appricieted > > > > > > > > > > > > > > > b sahoo > mumbai > reserch scholar > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Eduardo Menendez Proupin Departamento de Qu?mica Fisica Aplicada Facultad de Ciencias Universidad Aut?noma de Madrid 28049 Madrid, Spain Phone: +34 91 497 6706 On leave from: Departamento de Fisica, Facultad de Ciencias, Universidad de Chile URL: http://fisica.ciencias.uchile.cl/~emenendez "*Padece, espera y trabaja para gentes que nunca conocer? y que a su vez padecer?n, esperar?n y trabajar?n para otros, que tampoco ser?n felices, pues el hombre ans?a siempre una felicidad situada m?s all? de la porci?n que le es otorgada. Pero la grandeza del hombre est? precisamente en querer mejorar lo que es. En imponerse Tareas. En el Reino de los Cielos no hay grandeza que conquistar, puesto que all? todo es jerarqu?a establecida, inc?gnita despejada, existir sin t?rmino, 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 m?xima medida en el Reino de este Mundo*". Alejo Carpentier, El reino de este mundo, (1949). "...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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120430/7c5f5b34/attachment.htm
