Read this espresso-4.3.2/TDDFPT/Doc/turboTDDFT-CPC.pdf or Comput. Phys. Commun. 182 (2011) 1744-1754.
and the user guide at www.quantum-espresso.org For the optical properties there is also a less sophisticated approach implemented in the epsilon.x code, the manual is in the file espresso-4.3.2/Doc/eps_man.pdf Enjoy, 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 ---------- Mensaje reenviado ---------- > From: F Anis <f.anis45 at yahoo.com> > To: pw_forum at pwscf.org > Cc: > Date: Thu, 8 Mar 2012 00:32:04 -0800 (PST) > Subject: [Pw_forum] mathematical method for computing in quantm espresso > Hi, > What mathematical method for computing the optical properties and self > consist cycle in the quantum espresso is used. > thanks. > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120308/3c042b18/attachment.htm
